smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@H]([NH2+]C[C@H](c1cccs1)N1CCN(C)CC1)c1ccc(F)cc1[O-] ZINC000796662751 849354825 /nfs/dbraw/zinc/35/48/25/849354825.db2.gz HNMAJXITHXJTJG-ZWKOTPCHSA-N 2 0 377.529 3.622 20 10 GHCDRP CC[N@H+](CCC1CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1)CC1CC1 ZINC000775763097 873656951 /nfs/dbraw/zinc/65/69/51/873656951.db2.gz SOMFUFXGMHIGFY-UHFFFAOYSA-N 3 0 398.639 3.772 20 10 GHCDRP CC1(C)[C@H]([NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)[C@@H]2CCCO[C@H]21 ZINC000776170181 875688248 /nfs/dbraw/zinc/68/82/48/875688248.db2.gz IQEVFPZPBRFCBR-YTFSRNRJSA-N 2 0 383.580 3.512 20 10 GHCDRP C[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1cc(Br)ccc1O ZINC000850483898 876957345 /nfs/dbraw/zinc/95/73/45/876957345.db2.gz XTACRPZNURMQFW-AWEZNQCLSA-N 2 0 397.357 3.696 20 10 GHCDRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809739795 887774979 /nfs/dbraw/zinc/77/49/79/887774979.db2.gz SSOYQXLTUHYWAF-UHFFFAOYSA-N 2 0 385.527 3.746 20 10 GHCDRP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccc(C(F)(F)F)cc1O ZINC000810228173 888302959 /nfs/dbraw/zinc/30/29/59/888302959.db2.gz QVUHVMLZOPLHGU-BZSNNMDCSA-N 2 0 386.458 3.830 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cc(C(F)(F)F)cc(Cl)n3)cc2)CC1 ZINC000873168652 891495777 /nfs/dbraw/zinc/49/57/77/891495777.db2.gz CZHAHEOROGMCEK-UHFFFAOYSA-N 2 0 398.860 3.795 20 10 GHCDRP CC(C)[C@@H](C[NH2+][C@H](CCc1ccccc1)c1ccccc1O)N1CC[NH+](C)CC1 ZINC000815558042 893996753 /nfs/dbraw/zinc/99/67/53/893996753.db2.gz OCHHMNIIHPVYCB-DNQXCXABSA-N 2 0 395.591 3.928 20 10 GHCDRP C[C@H](C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O)CN1CC[NH+](C)CC1 ZINC000815576764 894015600 /nfs/dbraw/zinc/01/56/00/894015600.db2.gz XZHZNMOJWFDWFB-OFNKIYASSA-N 2 0 381.564 3.539 20 10 GHCDRP OC1CC[NH+](Cc2ccc(C[NH2+]Cc3ccc(N4CCCC4)cc3)cc2)CC1 ZINC001177688473 908709983 /nfs/dbraw/zinc/70/99/83/908709983.db2.gz WMHVXXDTZNZVOT-UHFFFAOYSA-N 2 0 379.548 3.533 20 10 GHCDRP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000757997515 929883106 /nfs/dbraw/zinc/88/31/06/929883106.db2.gz OPGMURCKENOYQK-BJKOFHAPSA-N 2 0 397.538 3.930 20 10 GHCDRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)[C@H]2CCC[C@H]21 ZINC000796774125 932062063 /nfs/dbraw/zinc/06/20/63/932062063.db2.gz DCTJVPGTICPYDS-GEALJGNFSA-N 2 0 379.495 3.719 20 10 GHCDRP c1cnc2c(c1)CCC[C@H]2[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000798931112 932820886 /nfs/dbraw/zinc/82/08/86/932820886.db2.gz HMMFPZJGZNLQLO-HSZRJFAPSA-N 2 0 376.548 3.781 20 10 GHCDRP c1nc2n(c1C[NH+]1CCCCC1)CC[N@@H+](Cc1ccc(N3CCCC3)cc1)CC2 ZINC001204322429 1032766834 /nfs/dbraw/zinc/76/68/34/1032766834.db2.gz KGIAELYACDXJDS-UHFFFAOYSA-N 2 0 393.579 3.528 20 10 GHCDRP Cc1cc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c(O)c(C(C)(C)C)c1 ZINC000755781909 1023376441 /nfs/dbraw/zinc/37/64/41/1023376441.db2.gz GIPXBYQEJQJZKS-WCRBZPEASA-N 2 0 385.596 3.741 20 10 GHCDRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H](C)c2ccc(C)c(C)c2O)CC1 ZINC000756435180 1023646840 /nfs/dbraw/zinc/64/68/40/1023646840.db2.gz XPLAQHYCBZDHSG-FQEVSTJZSA-N 2 0 381.564 3.997 20 10 GHCDRP Oc1cc(N2CC[NH2+]CC2)ccc1C[NH+]1CCC(c2ccc(Cl)cc2)CC1 ZINC001210267664 1027415130 /nfs/dbraw/zinc/41/51/30/1027415130.db2.gz SBYWJVVESPNNEE-UHFFFAOYSA-N 2 0 385.939 3.835 20 10 GHCDRP COc1cccc(C[NH+]2CCC3(CC2)CC[NH+](Cc2ccc(O)c(O)c2)CC3)c1 ZINC001203878035 1027676285 /nfs/dbraw/zinc/67/62/85/1027676285.db2.gz OSYYGBOKJJPWMA-UHFFFAOYSA-N 2 0 396.531 3.985 20 10 GHCDRP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000843386810 1029955154 /nfs/dbraw/zinc/95/51/54/1029955154.db2.gz MVKWQYBYKQTJBN-HDICACEKSA-N 2 0 377.492 3.972 20 10 GHCDRP CC1(C)C=Cc2c(O)c(C[N@@H+]3C[C@H](c4ccccc4)C4(C[NH2+]C4)C3)ccc2O1 ZINC001222614160 1030237199 /nfs/dbraw/zinc/23/71/99/1030237199.db2.gz AWTPXWQWHHQCET-HXUWFJFHSA-N 2 0 376.500 3.765 20 10 GHCDRP CN(C)c1ccc(/C=C/c2ccc(NC(=O)[C@@H]([NH3+])CCCC[NH+](C)C)cc2)cc1 ZINC001219203236 1031304064 /nfs/dbraw/zinc/30/40/64/1031304064.db2.gz AJYXZFPPXCZGRB-YVSHKSEASA-N 2 0 394.563 3.921 20 10 GHCDRP [NH3+]CC1(c2ccccc2)CC[NH+](Cc2ccc(N3CCOCC3)cc2Cl)CC1 ZINC001206761261 1033973621 /nfs/dbraw/zinc/97/36/21/1033973621.db2.gz VKHIYOCVOVSWAU-UHFFFAOYSA-N 2 0 399.966 3.669 20 10 GHCDRP CCOC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3c(O)ccc4ccccc43)CC2)C1 ZINC001231586848 1034739257 /nfs/dbraw/zinc/73/92/57/1034739257.db2.gz MTKOEMRDTYKBOW-IBGZPJMESA-N 2 0 396.531 3.785 20 10 GHCDRP FC(F)(F)Oc1ccc(N2CC[NH+]([C@@H]3CCC[C@@]4(CC[NH2+]C4)C3)CC2)cc1 ZINC001246995740 1037820623 /nfs/dbraw/zinc/82/06/23/1037820623.db2.gz MJNHMVMUAHFSDU-IEBWSBKVSA-N 2 0 383.458 3.630 20 10 GHCDRP c1ccc(COc2ccc(N3CC[NH+]([C@@H]4CCC5(C[NH2+]C5)C4)CC3)cc2)cc1 ZINC001247004368 1037830824 /nfs/dbraw/zinc/83/08/24/1037830824.db2.gz PKZFYOIAHYJCRR-JOCHJYFZSA-N 2 0 377.532 3.530 20 10 GHCDRP c1ccc2oc(-c3ccc(N4CC[NH+]([C@H]5C[C@H]6C[NH2+]C[C@H]6C5)CC4)cc3)nc2c1 ZINC001247007839 1037831894 /nfs/dbraw/zinc/83/18/94/1037831894.db2.gz WWVHYLOYRCETQE-CEQLMSFQSA-N 2 0 388.515 3.615 20 10 GHCDRP CN(C)c1ccc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c(O)c1 ZINC001232838650 1038590011 /nfs/dbraw/zinc/59/00/11/1038590011.db2.gz IGKNAHFNCFZWRD-UHFFFAOYSA-N 2 0 379.548 3.946 20 10 GHCDRP CN(C)c1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c(O)c1 ZINC001232841057 1038592590 /nfs/dbraw/zinc/59/25/90/1038592590.db2.gz RDMBEBWZEOFWIJ-XMMPIXPASA-N 2 0 379.548 3.946 20 10 GHCDRP CC(C)(C)c1ccc(O)c(C[N@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)c1 ZINC001233285936 1039065310 /nfs/dbraw/zinc/06/53/10/1039065310.db2.gz YBCPFLPRGUKUKB-UHFFFAOYSA-N 2 0 396.579 3.930 20 10 GHCDRP Oc1cc(C(F)(F)F)ccc1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001233454415 1039343319 /nfs/dbraw/zinc/34/33/19/1039343319.db2.gz UGBJVLYEKXAMMI-HDICACEKSA-N 2 0 376.422 3.975 20 10 GHCDRP Oc1ccc2cc(Br)ccc2c1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001235092171 1040581156 /nfs/dbraw/zinc/58/11/56/1040581156.db2.gz GRAVOIRDFDELFG-UHFFFAOYSA-N 2 0 375.310 3.883 20 10 GHCDRP COc1cc(O)c(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)cc1Br ZINC001235241219 1040722376 /nfs/dbraw/zinc/72/23/76/1040722376.db2.gz NKSBBXQJZUCGRT-MRXNPFEDSA-N 2 0 383.330 3.517 20 10 GHCDRP CCOC(=O)c1c(C[NH+]2CCC(C3CC[NH2+]CC3)CC2)c2ccccc2n1C ZINC001235704880 1041185104 /nfs/dbraw/zinc/18/51/04/1041185104.db2.gz BKOHSQYNKUOOOX-UHFFFAOYSA-N 2 0 383.536 3.567 20 10 GHCDRP Oc1cccc(Br)c1C[N@@H+]1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001235971837 1041475817 /nfs/dbraw/zinc/47/58/17/1041475817.db2.gz AYJCBCULUSOUNE-UHFFFAOYSA-N 2 0 387.321 3.792 20 10 GHCDRP FC(F)(F)Oc1ccc2c(c1)C[N@@H+](Cc1ccc(N3CC[NH2+]CC3)cc1)CC2 ZINC001236243234 1041641164 /nfs/dbraw/zinc/64/11/64/1041641164.db2.gz DYBQQHXHUQTMQA-UHFFFAOYSA-N 2 0 391.437 3.553 20 10 GHCDRP OCCCCCC[N@H+](Cc1ccccc1)Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001236313914 1041667903 /nfs/dbraw/zinc/66/79/03/1041667903.db2.gz DLLRXYZPYHEHIV-UHFFFAOYSA-N 2 0 381.564 3.651 20 10 GHCDRP COC(=O)c1cccc(C[N@H+](Cc2c(C)ccc(C)c2O)C2CC[NH2+]CC2)c1 ZINC001236465032 1041727391 /nfs/dbraw/zinc/72/73/91/1041727391.db2.gz OOCXUYYSXFCDBX-UHFFFAOYSA-N 2 0 382.504 3.550 20 10 GHCDRP Cc1ccc(C[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236722145 1041856308 /nfs/dbraw/zinc/85/63/08/1041856308.db2.gz FMGKYWZNGDUQSR-ALOJWSFFSA-N 3 0 392.591 3.677 20 10 GHCDRP COc1cc(C)c(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccccc2)CCO3)c(O)c1 ZINC001236811822 1041911249 /nfs/dbraw/zinc/91/12/49/1041911249.db2.gz VDUQXJFLGSTPME-UHFFFAOYSA-N 2 0 396.531 3.576 20 10 GHCDRP C[C@@H](c1ccc(Br)cc1)[N@H+](C)Cc1cc2c(cc1O)OCC[NH2+]C2 ZINC001237462234 1042218175 /nfs/dbraw/zinc/21/81/75/1042218175.db2.gz HXXWCVQOBZQKKD-ZDUSSCGKSA-N 2 0 391.309 3.830 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH2+]C3CCN(c4ccccc4Cl)CC3)cc2)CC1 ZINC001258536290 1044613962 /nfs/dbraw/zinc/61/39/62/1044613962.db2.gz YYYGGYRZOFXEHY-UHFFFAOYSA-N 2 0 398.982 3.850 20 10 GHCDRP Cc1cc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c(C)n1-c1ccc(C(C)C)cc1 ZINC001306597785 1048759516 /nfs/dbraw/zinc/75/95/16/1048759516.db2.gz CCDBZFPKPVFRRT-UHFFFAOYSA-N 2 0 398.595 3.783 20 10 GHCDRP C[C@@H]1C[C@H]([NH2+]Cc2cccc(CN3CC[NH+](C)CC3)c2)c2c1c(F)ccc2O ZINC001320125025 1055664849 /nfs/dbraw/zinc/66/48/49/1055664849.db2.gz PPIYTKDIRQXCMH-UZLBHIALSA-N 2 0 383.511 3.617 20 10 GHCDRP COc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)c(O)c1OC ZINC000892580531 836741110 /nfs/dbraw/zinc/74/11/10/836741110.db2.gz LTCRASULUYPQJQ-QGZVFWFLSA-N 2 0 384.520 3.931 20 10 GHCDRP CCN(Cc1ccccc1)c1ccc(C[NH2+][C@H](C)CCN2CC[NH+](C)CC2)cc1 ZINC000185865337 862214761 /nfs/dbraw/zinc/21/47/61/862214761.db2.gz DHBPUFQYPXFQGF-JOCHJYFZSA-N 2 0 394.607 3.829 20 10 GHCDRP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3c(O)cccc3Cl)C2)ccn1 ZINC000856552721 881379638 /nfs/dbraw/zinc/37/96/38/881379638.db2.gz GJGHZALFOVBIGV-QGZVFWFLSA-N 2 0 375.900 3.546 20 10 GHCDRP C[C@@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000764968757 859713122 /nfs/dbraw/zinc/71/31/22/859713122.db2.gz CKZWRXXXKQEWKB-CEXWTWQISA-N 2 0 377.548 3.681 20 10 GHCDRP C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3cc4oc5ccccc5c4cc3O)CC2)C1 ZINC000738210626 865503541 /nfs/dbraw/zinc/50/35/41/865503541.db2.gz CWZWHKZGBSHXQX-SFHVURJKSA-N 2 0 379.504 3.503 20 10 GHCDRP CCCN(CCC)c1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1 ZINC000769523655 874130620 /nfs/dbraw/zinc/13/06/20/874130620.db2.gz CLVWGQUDNXIZLI-QPPBQGQZSA-N 2 0 386.628 3.771 20 10 GHCDRP CN(C)c1ccc(C[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cc1F ZINC000769528719 874135129 /nfs/dbraw/zinc/13/51/29/874135129.db2.gz YFXNLCFWACLKRZ-UHFFFAOYSA-N 3 0 390.591 3.520 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(F)c(Br)c3)cc2)CC1 ZINC000771817790 875494351 /nfs/dbraw/zinc/49/43/51/875494351.db2.gz FMIFDLMKMVMMJG-UHFFFAOYSA-N 2 0 392.316 3.630 20 10 GHCDRP CCN(CC)c1ccc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cc1F ZINC000850357250 876846900 /nfs/dbraw/zinc/84/69/00/876846900.db2.gz CKGABAFLBGXACP-OAQYLSRUSA-N 2 0 385.527 3.528 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCc4ccc(Cl)nc43)cc2F)CC1 ZINC000788592377 878192205 /nfs/dbraw/zinc/19/22/05/878192205.db2.gz BTTDVGJCODTFLO-SFHVURJKSA-N 2 0 388.918 3.793 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCCc4ccc(O)cc43)cc2F)CC1 ZINC000788594485 878194163 /nfs/dbraw/zinc/19/41/63/878194163.db2.gz NFDCVPJAIXYBFQ-QFIPXVFZSA-N 2 0 383.511 3.840 20 10 GHCDRP Cc1cc(C[NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)cc(C)c1O ZINC000809629181 887630129 /nfs/dbraw/zinc/63/01/29/887630129.db2.gz HFTYULRQPXAONL-UHFFFAOYSA-N 2 0 379.548 3.831 20 10 GHCDRP c1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccc(N5CCOCC5)cc4)C3)C2)cc1 ZINC000809704077 887723242 /nfs/dbraw/zinc/72/32/42/887723242.db2.gz UXIMLEUPCBQYLT-RUZDIDTESA-N 2 0 391.559 3.621 20 10 GHCDRP Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](Nc2cc[nH+]cc2C(F)(F)F)C1 ZINC001185271531 913769694 /nfs/dbraw/zinc/76/96/94/913769694.db2.gz ABUGHFPXMYBAKR-CQSZACIVSA-N 2 0 385.817 3.958 20 10 GHCDRP C[N@@H+]1CCN(CC[NH2+][C@@H](CCc2ccccc2)c2ccccc2O)CC1(C)C ZINC000815623473 894053981 /nfs/dbraw/zinc/05/39/81/894053981.db2.gz YMXKKRGRXQFEMW-QFIPXVFZSA-N 2 0 381.564 3.682 20 10 GHCDRP CC(C)[C@H](C[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1)N1CC[NH+](C)CC1 ZINC000132517012 897813216 /nfs/dbraw/zinc/81/32/16/897813216.db2.gz OQQRPQKUQUQMQJ-QPPBQGQZSA-N 2 0 386.628 3.990 20 10 GHCDRP C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000155301543 898587011 /nfs/dbraw/zinc/58/70/11/898587011.db2.gz YNGJGJSENBBFFA-VQTJNVASSA-N 2 0 397.563 3.875 20 10 GHCDRP Cc1ccc(C[N@@H+]2CCCC3(CC[NH+](Cc4c(O)cc(O)cc4O)CC3)C2)cc1 ZINC001144508133 902289509 /nfs/dbraw/zinc/28/95/09/902289509.db2.gz JDEGOGXOPREIGB-UHFFFAOYSA-N 2 0 396.531 3.990 20 10 GHCDRP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cc(Br)ccc1O ZINC000186126576 907881909 /nfs/dbraw/zinc/88/19/09/907881909.db2.gz DRZKUNTWEBINEQ-XVSDVWIESA-N 2 0 397.357 3.573 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH+]3CCC(O)(c4ccccc4Cl)CC3)cc2)CC1 ZINC000775129271 915368174 /nfs/dbraw/zinc/36/81/74/915368174.db2.gz JAMKWOMSEBCFNC-UHFFFAOYSA-N 2 0 399.966 3.575 20 10 GHCDRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)[C@H]2CCC[C@H]21 ZINC000796692166 932031605 /nfs/dbraw/zinc/03/16/05/932031605.db2.gz AFAMJEIQVVHFNB-YZGWKJHDSA-N 2 0 397.485 3.504 20 10 GHCDRP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1cc(-c2ccccc2)no1 ZINC000926853235 932327394 /nfs/dbraw/zinc/32/73/94/932327394.db2.gz DACVUIVLZNMNMF-SFHVURJKSA-N 2 0 376.504 3.944 20 10 GHCDRP c1cc(N2CC[NH+](CC3CC3)CC2)ccc1C[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000798496871 932671706 /nfs/dbraw/zinc/67/17/06/932671706.db2.gz WKDWLZKACRIIID-WXFUMESZSA-N 2 0 397.607 3.904 20 10 GHCDRP c1cnc2c(c1)CCC[C@@H]2[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000798931119 932821056 /nfs/dbraw/zinc/82/10/56/932821056.db2.gz HMMFPZJGZNLQLO-QHCPKHFHSA-N 2 0 376.548 3.781 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH+]3CCC(Cc4ccncc4)CC3)cc2)CC1 ZINC001140305539 1021360847 /nfs/dbraw/zinc/36/08/47/1021360847.db2.gz BIIFFWWXBQMYGN-UHFFFAOYSA-N 2 0 378.564 3.678 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@H](C(=O)c4ccccc4)C3)cc2)CC1 ZINC001140309612 1021370407 /nfs/dbraw/zinc/37/04/07/1021370407.db2.gz NTEAGUOUYJUVMM-QFIPXVFZSA-N 2 0 377.532 3.533 20 10 GHCDRP C[N@H+](Cc1ccc(N2CCCC2)cc1)Cc1ccccc1N1CC[NH+](C)CC1 ZINC001140973717 1023049686 /nfs/dbraw/zinc/04/96/86/1023049686.db2.gz QAMFVUPRWUOWPT-UHFFFAOYSA-N 2 0 378.564 3.671 20 10 GHCDRP C[N@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1cc(F)ccc1O)CC2 ZINC001140054282 1026833847 /nfs/dbraw/zinc/83/38/47/1026833847.db2.gz OJAOSBRDIOFCCU-SFHVURJKSA-N 2 0 390.524 3.848 20 10 GHCDRP Cc1ccc(C)c(C[NH+]2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c1O ZINC001140178854 1026951669 /nfs/dbraw/zinc/95/16/69/1026951669.db2.gz ABMGUNMKOWWECW-UHFFFAOYSA-N 2 0 395.547 3.519 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccccc3C(=O)OC(C)(C)C)cc2)CC1 ZINC001203276305 1027258647 /nfs/dbraw/zinc/25/86/47/1027258647.db2.gz MKKYWJZGIIYEGR-UHFFFAOYSA-N 2 0 395.547 3.684 20 10 GHCDRP COc1ccc(O)c(C[NH+]2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001203672881 1027524108 /nfs/dbraw/zinc/52/41/08/1027524108.db2.gz GZXWCJBSDGQORM-OAQYLSRUSA-N 2 0 396.531 3.656 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3sccc3Br)cc2)CC1 ZINC001461481943 1069570310 /nfs/dbraw/zinc/57/03/10/1069570310.db2.gz STNAEEODOVSRLV-UHFFFAOYSA-N 2 0 380.355 3.552 20 10 GHCDRP COc1cc(C[NH+]2CCC3(CC[NH+](Cc4ccccc4)CC3)CC2)c(O)cc1O ZINC001231637328 1034795377 /nfs/dbraw/zinc/79/53/77/1034795377.db2.gz JEWQXOURMYNEQP-UHFFFAOYSA-N 2 0 396.531 3.985 20 10 GHCDRP Cc1cc(C)c(C[NH+]2CCC3(C[C@@H]([N@H+](C)Cc4ccccn4)CO3)CC2)c(O)c1 ZINC001231844758 1034938893 /nfs/dbraw/zinc/93/88/93/1034938893.db2.gz PHNAIAPYSGEKDN-OAQYLSRUSA-N 2 0 395.547 3.660 20 10 GHCDRP COc1ccc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c(O)c1OC ZINC001462282137 1070141275 /nfs/dbraw/zinc/14/12/75/1070141275.db2.gz JCNPKBCIHBWQLA-UHFFFAOYSA-N 2 0 396.531 3.898 20 10 GHCDRP CCOC(=O)c1c(C[N@H+](C)CC2CC[NH+](C(C)C)CC2)c2ccccc2n1C ZINC001233272381 1039038118 /nfs/dbraw/zinc/03/81/18/1039038118.db2.gz JCJIAABWGAHAAQ-UHFFFAOYSA-N 2 0 385.552 3.907 20 10 GHCDRP Oc1cc(O)c(C[N@@H+]2CCCC3(CC[NH+](Cc4ccccc4)CC3)C2)cc1O ZINC001233487155 1039381588 /nfs/dbraw/zinc/38/15/88/1039381588.db2.gz SAOUWAKMENWMBQ-UHFFFAOYSA-N 2 0 382.504 3.682 20 10 GHCDRP Oc1ccc(Br)cc1C[N@H+](Cc1ccccc1)C1CC[NH2+]CC1 ZINC001236286768 1041661122 /nfs/dbraw/zinc/66/11/22/1041661122.db2.gz ORMFGZJIVIOZBF-UHFFFAOYSA-N 2 0 375.310 3.909 20 10 GHCDRP COc1cc(Br)cc(C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)c1O ZINC001236374401 1041686513 /nfs/dbraw/zinc/68/65/13/1041686513.db2.gz QNYSXWOJPZOJID-CQSZACIVSA-N 2 0 397.357 3.908 20 10 GHCDRP CC(C)(C)C[N@H+](Cc1cc(O)c(Br)cc1O)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236778842 1041887094 /nfs/dbraw/zinc/88/70/94/1041887094.db2.gz ARZAHCRURLYMLE-HDJSIYSDSA-N 2 0 385.346 3.978 20 10 GHCDRP Cc1cc(N2CC[NH+](Cc3cc(OCc4ccccc4)ccc3O)CC2)cc[nH+]1 ZINC001236783746 1041889749 /nfs/dbraw/zinc/88/97/49/1041889749.db2.gz UVDCRJHODPBHHU-UHFFFAOYSA-N 2 0 389.499 3.997 20 10 GHCDRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(Cc1cc(Cl)c(Cl)cc1O)C2 ZINC001236794148 1041897762 /nfs/dbraw/zinc/89/77/62/1041897762.db2.gz SNWUSWPIZAZYJA-UZLBHIALSA-N 2 0 399.362 3.879 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@H]4Nc5ccc(Cl)cc5[C@@H]4C3)cc2)CC1 ZINC001237229596 1042097553 /nfs/dbraw/zinc/09/75/53/1042097553.db2.gz DGNBPXCZCXKVOF-JTHBVZDNSA-N 2 0 396.966 3.875 20 10 GHCDRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](c1ccccc1O)[C@H](N)c1ccccc1O ZINC001258903551 1044858211 /nfs/dbraw/zinc/85/82/11/1044858211.db2.gz UABAIZCCGQPISG-JJEOQYAHSA-N 2 0 385.552 3.939 20 10 GHCDRP C[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccc(N2CCCCC2)cc1 ZINC000158426151 846948631 /nfs/dbraw/zinc/94/86/31/846948631.db2.gz GPSQDEUCFCQONN-HXUWFJFHSA-N 2 0 393.579 3.675 20 10 GHCDRP C[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000765948348 856780055 /nfs/dbraw/zinc/78/00/55/856780055.db2.gz ZGFKNXRQGNNCPV-ICSRJNTNSA-N 2 0 388.575 3.635 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3sccc3OC)cc2F)CC1 ZINC000186157670 860529206 /nfs/dbraw/zinc/52/92/06/860529206.db2.gz QMYFJCGSOCISLL-HNNXBMFYSA-N 2 0 377.529 3.889 20 10 GHCDRP CN(C)c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c(C(F)(F)F)c1 ZINC000793010659 881873521 /nfs/dbraw/zinc/87/35/21/881873521.db2.gz PPMCYQRIYHIDLE-PMACEKPBSA-N 2 0 399.501 3.629 20 10 GHCDRP C[N@@H+]1CC[C@]2(CC[NH+](Cc3c(O)ccc4cc(Br)ccc43)C2)C1 ZINC000793765541 882393128 /nfs/dbraw/zinc/39/31/28/882393128.db2.gz JRPIBAHSSHYZCX-IBGZPJMESA-N 2 0 375.310 3.836 20 10 GHCDRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2cc(OC)ccc2O)CC1 ZINC000182197527 872020564 /nfs/dbraw/zinc/02/05/64/872020564.db2.gz JJFCHUXWXLEBTM-MRXNPFEDSA-N 2 0 387.499 3.533 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@H]3C[C@@H](O)c3ccc(F)cc3)cc2)CC1 ZINC000775738266 873318326 /nfs/dbraw/zinc/31/83/26/873318326.db2.gz XWQFGSFTVWPHOJ-DNQXCXABSA-N 2 0 397.538 3.666 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCCCC[C@@H]3C[C@@H](O)c3ccco3)cc2)CC1 ZINC000775738164 873322115 /nfs/dbraw/zinc/32/21/15/873322115.db2.gz USNQXUSQEUMLJG-DHIUTWEWSA-N 2 0 397.563 3.900 20 10 GHCDRP OCC1CCN(c2ccc(C[NH2+]C3CC[NH+](C4CCCCC4)CC3)cc2)CC1 ZINC000151558986 873439618 /nfs/dbraw/zinc/43/96/18/873439618.db2.gz BFPWNVBYLGZRGA-UHFFFAOYSA-N 2 0 385.596 3.782 20 10 GHCDRP c1ccc2c(c1)OCC[C@H]2C[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768669065 873492527 /nfs/dbraw/zinc/49/25/27/873492527.db2.gz BYJBUJRCACMUQZ-QFIPXVFZSA-N 2 0 391.559 3.875 20 10 GHCDRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC001199335973 874934418 /nfs/dbraw/zinc/93/44/18/874934418.db2.gz FLGYEFCDIFHZDA-BQYQJAHWSA-N 2 0 392.591 3.693 20 10 GHCDRP CCN(CC)[C@@H](C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000771819760 875494532 /nfs/dbraw/zinc/49/45/32/875494532.db2.gz SDSPDATVNKYKQY-DEOSSOPVSA-N 2 0 380.580 3.611 20 10 GHCDRP c1nc(C2CC2)c(C[NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)s1 ZINC000785508875 876080045 /nfs/dbraw/zinc/08/00/45/876080045.db2.gz YUZWKSXUWSNNDB-UHFFFAOYSA-N 2 0 382.577 3.842 20 10 GHCDRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000850406555 876888143 /nfs/dbraw/zinc/88/81/43/876888143.db2.gz LFRXAXXABNYTBI-NFBKMPQASA-N 2 0 393.575 3.790 20 10 GHCDRP c1cc(N2CC[NH+](CC3CC3)CC2)ccc1C[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1 ZINC000788986153 878494846 /nfs/dbraw/zinc/49/48/46/878494846.db2.gz WHFDYFQSPJZQCF-ZKMPZPQNSA-N 2 0 397.607 3.904 20 10 GHCDRP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000762648115 886615636 /nfs/dbraw/zinc/61/56/36/886615636.db2.gz HQBDDKJEQMYAGV-MOPGFXCFSA-N 2 0 377.548 3.968 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3c4ccccc4CC34CCOCC4)cc2)CC1 ZINC000810172725 888233197 /nfs/dbraw/zinc/23/31/97/888233197.db2.gz RWFFDDDVCUFOGG-DEOSSOPVSA-N 2 0 391.559 3.622 20 10 GHCDRP CC[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(C(F)(F)F)cc1O ZINC000810219066 888295224 /nfs/dbraw/zinc/29/52/24/888295224.db2.gz ZMJOFACKZWATTE-CRAIPNDOSA-N 2 0 385.474 3.620 20 10 GHCDRP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3ccc(N4CCC(O)CC4)cc3)C2)CC1 ZINC000876644489 893270140 /nfs/dbraw/zinc/27/01/40/893270140.db2.gz YBGQGVSLZKUDDY-JOCHJYFZSA-N 2 0 385.596 3.592 20 10 GHCDRP OC1CCN(c2ccc(C[NH2+]Cc3ccc(C[NH+]4CCCC4)cc3)cc2)CC1 ZINC000876901134 893378841 /nfs/dbraw/zinc/37/88/41/893378841.db2.gz ZYTRPXRGVVHCKC-UHFFFAOYSA-N 2 0 379.548 3.533 20 10 GHCDRP C[C@@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)c1cc2c(cc1O)CCCC2 ZINC000817984349 895993797 /nfs/dbraw/zinc/99/37/97/895993797.db2.gz QSTNGNCMROHYFB-LJQANCHMSA-N 2 0 393.575 3.915 20 10 GHCDRP Oc1cc(Br)ccc1C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000825216183 900031325 /nfs/dbraw/zinc/03/13/25/900031325.db2.gz ZISTYXCEPBDYOC-KRWDZBQOSA-N 2 0 389.337 3.809 20 10 GHCDRP Oc1cc(O)c(CC[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1O ZINC001172066197 905330881 /nfs/dbraw/zinc/33/08/81/905330881.db2.gz UTDMYHWOLYEXKG-OWZKRDHZSA-N 2 0 382.504 3.521 20 10 GHCDRP Oc1ccc(Br)cc1C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192920580 908015540 /nfs/dbraw/zinc/01/55/40/908015540.db2.gz ZGNWVSOALGFCRP-MRXNPFEDSA-N 2 0 375.310 3.766 20 10 GHCDRP Cc1cc(Br)cc([C@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)c1O ZINC000187224278 908056503 /nfs/dbraw/zinc/05/65/03/908056503.db2.gz XSNRDLDKMUAIOP-GJZGRUSLSA-N 2 0 397.357 3.615 20 10 GHCDRP Cc1cc(Br)cc([C@H](C)[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)c1O ZINC000187224314 908057855 /nfs/dbraw/zinc/05/78/55/908057855.db2.gz XSNRDLDKMUAIOP-LSDHHAIUSA-N 2 0 397.357 3.615 20 10 GHCDRP CC[C@H]([NH2+]C1CCN(C[C@@H]2CCCO2)CC1)c1cc(Br)ccc1O ZINC000775504052 918459889 /nfs/dbraw/zinc/45/98/89/918459889.db2.gz QUUYGQLRMPLZBX-WMZOPIPTSA-N 2 0 397.357 3.839 20 10 GHCDRP Clc1cc(N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)c2c(n1)C[NH2+]CC2 ZINC001155640798 1032617881 /nfs/dbraw/zinc/61/78/81/1032617881.db2.gz MPBBAMJECJHXIJ-PYDOFHOQSA-N 2 0 398.982 3.780 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH+]3CCC4(Cc5ccccc5O4)CC3)cc2)CC1 ZINC001140306065 1021362461 /nfs/dbraw/zinc/36/24/61/1021362461.db2.gz MYEUUZBNLMOIII-UHFFFAOYSA-N 2 0 391.559 3.798 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH+]3CCC(Sc4ccncc4)CC3)cc2)CC1 ZINC001140306423 1021363229 /nfs/dbraw/zinc/36/32/29/1021363229.db2.gz RMGBWOXNJWZQSD-UHFFFAOYSA-N 2 0 396.604 3.980 20 10 GHCDRP Oc1cccc2c1[C@H]([NH2+]C[C@@H]1C[N@H+](Cc3ccccc3)CC13CCOCC3)CC2 ZINC000834811024 1021506722 /nfs/dbraw/zinc/50/67/22/1021506722.db2.gz LWBVGBDHFHOJIN-FGZHOGPDSA-N 2 0 392.543 3.898 20 10 GHCDRP COCC[N@H+](C)CCCC1CC[NH+](Cc2c(O)cccc2Br)CC1 ZINC001204584966 1032985845 /nfs/dbraw/zinc/98/58/45/1032985845.db2.gz KEFFPAGSBZCKAE-UHFFFAOYSA-N 2 0 399.373 3.725 20 10 GHCDRP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CC[NH+](Cc1cc(C)ccc1O)CC2 ZINC001140621831 1022094308 /nfs/dbraw/zinc/09/43/08/1022094308.db2.gz QYAJERZQHBBDGC-JOCHJYFZSA-N 2 0 395.547 3.599 20 10 GHCDRP C[C@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)c2c1c(F)ccc2O ZINC000756551889 1023710226 /nfs/dbraw/zinc/71/02/26/1023710226.db2.gz YMFQPTXTWWYISY-YWZLYKJASA-N 2 0 384.495 3.826 20 10 GHCDRP CC[N@H+](Cc1cc(C[NH+](C)C)c(O)c(OC)c1)[C@H](C)Cc1ccc(OC)cc1 ZINC001139253185 1026103709 /nfs/dbraw/zinc/10/37/09/1026103709.db2.gz PCOWTENJLCFGOZ-QGZVFWFLSA-N 2 0 386.536 3.924 20 10 GHCDRP COc1cccc(C[C@H]2CCC[N@H+](Cc3cc(C[NH+](C)C)c(O)c(OC)c3)C2)c1 ZINC001139260036 1026110223 /nfs/dbraw/zinc/11/02/23/1026110223.db2.gz IGCMXJBPUIECEW-LJQANCHMSA-N 2 0 398.547 3.926 20 10 GHCDRP COc1cc(CN2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)cc(C[NH+](C)C)c1O ZINC001139259800 1026110261 /nfs/dbraw/zinc/11/02/61/1026110261.db2.gz BTDLVPYWTMSTSA-RTBURBONSA-N 2 0 397.563 3.557 20 10 GHCDRP COC(=O)c1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC001139411433 1026283949 /nfs/dbraw/zinc/28/39/49/1026283949.db2.gz LOGUKSRAZAZDIM-QHCPKHFHSA-N 2 0 393.531 3.562 20 10 GHCDRP COc1cccc([C@H]2CSCC[N@@H+]2Cc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC001139411550 1026284061 /nfs/dbraw/zinc/28/40/61/1026284061.db2.gz RGKMXQJXTXTZTH-HSZRJFAPSA-N 2 0 397.588 3.737 20 10 GHCDRP Oc1ccc(Br)cc1C[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000841073237 1028093070 /nfs/dbraw/zinc/09/30/70/1028093070.db2.gz MORQWGDCKJRVSS-MAUKXSAKSA-N 2 0 393.300 3.777 20 10 GHCDRP COc1cc(O)c(C[N@@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)cc1OC ZINC000843106534 1029812155 /nfs/dbraw/zinc/81/21/55/1029812155.db2.gz BIVWJRAGEGSGLD-AZUAARDMSA-N 2 0 384.520 3.582 20 10 GHCDRP COc1ccc(N2CC[NH+](CC3CC[NH+](Cc4ccccc4)CC3)CC2)cc1 ZINC001207286893 1034238980 /nfs/dbraw/zinc/23/89/80/1034238980.db2.gz OXJSYUWHLMKTGL-UHFFFAOYSA-N 2 0 379.548 3.729 20 10 GHCDRP COc1cc(N(C)C)ccc1C[NH+]1CCC2(C[NH+](Cc3ccccc3)C2)CC1 ZINC001231855679 1034945851 /nfs/dbraw/zinc/94/58/51/1034945851.db2.gz ZAKLYVLQQRLXHF-UHFFFAOYSA-N 2 0 379.548 3.859 20 10 GHCDRP Clc1ccccc1N1CCC([NH2+]Cc2ccc(N3CC[NH2+]CC3)cc2)CC1 ZINC001246171854 1037222918 /nfs/dbraw/zinc/22/29/18/1037222918.db2.gz FNVJURABLVSYLD-UHFFFAOYSA-N 2 0 384.955 3.508 20 10 GHCDRP CCOC(=O)c1c(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)c2ccccc2n1C ZINC001233272972 1039041153 /nfs/dbraw/zinc/04/11/53/1039041153.db2.gz JCWFLFYDFHXMET-UHFFFAOYSA-N 2 0 383.536 3.663 20 10 GHCDRP COc1ccc2ccc(O)c(C[NH+]3CCC(COCC[NH+]4CCCC4)CC3)c2c1 ZINC001234518521 1040094610 /nfs/dbraw/zinc/09/46/10/1040094610.db2.gz LGGYETJMXSJGML-UHFFFAOYSA-N 2 0 398.547 3.878 20 10 GHCDRP Oc1cc2c(cc1C[N@@H+]1CC[C@H](c3ccc(C(F)(F)F)cc3)C1)C[NH2+]CCO2 ZINC001235918409 1041429660 /nfs/dbraw/zinc/42/96/60/1041429660.db2.gz DQVOJTLWHQPZEG-HNNXBMFYSA-N 2 0 392.421 3.883 20 10 GHCDRP CCN(CC)c1ccc(C[N@@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)c(O)c1 ZINC001235972625 1041478027 /nfs/dbraw/zinc/47/80/27/1041478027.db2.gz HIIBADFBEUAWAY-UHFFFAOYSA-N 2 0 379.548 3.875 20 10 GHCDRP C[N@H+](CCC=C1c2ccccc2CCc2ccccc21)CC[C@H]1C[NH2+]CCO1 ZINC001236102785 1041534397 /nfs/dbraw/zinc/53/43/97/1041534397.db2.gz RZZCLCVVEMMCOW-QFIPXVFZSA-N 2 0 376.544 3.917 20 10 GHCDRP CC[N@H+](Cc1ccc(C(F)(F)F)cc1)Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001236240625 1041639795 /nfs/dbraw/zinc/63/97/95/1041639795.db2.gz RBHHYZHWFDQBHE-UHFFFAOYSA-N 2 0 393.453 3.843 20 10 GHCDRP Clc1cc(C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)ccc1N1CCOCC1 ZINC001236375296 1041687560 /nfs/dbraw/zinc/68/75/60/1041687560.db2.gz IWBNRXJKGBBEMR-LJQANCHMSA-N 2 0 391.987 3.921 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[N@H+](C3CCCCC3)[C@H]3CC[C@H]([NH3+])CC3)cc2)CC1 ZINC001236567636 1041764671 /nfs/dbraw/zinc/76/46/71/1041764671.db2.gz PMPGHOOEOAFAAE-SAIGFBBZSA-N 3 0 384.612 3.843 20 10 GHCDRP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccc(F)cc2)Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001236743228 1041870108 /nfs/dbraw/zinc/87/01/08/1041870108.db2.gz UDTPBWYGSTXKLI-HCGLCNNCSA-N 2 0 397.538 3.934 20 10 GHCDRP CC[NH+]1CCC(CC2CC[NH+](Cc3cc(OC)c(OC)cc3O)CC2)CC1 ZINC001236757166 1041875305 /nfs/dbraw/zinc/87/53/05/1041875305.db2.gz HYLKHTVGIZQVQD-UHFFFAOYSA-N 2 0 376.541 3.743 20 10 GHCDRP COc1cccc([C@@H]2CC[N@H+](Cc3ccc(N4CC[NH+](C)CC4)cc3F)C2)c1 ZINC001236946202 1041966864 /nfs/dbraw/zinc/96/68/64/1041966864.db2.gz MECRDEFADIMITL-LJQANCHMSA-N 2 0 383.511 3.576 20 10 GHCDRP Oc1c(C[NH+]2CCC(CC3CC[NH2+]CC3)CC2)cc2c3c1CCCN3CCC2 ZINC001236947781 1041967566 /nfs/dbraw/zinc/96/75/66/1041967566.db2.gz LWDCXFRCSBGPFI-UHFFFAOYSA-N 2 0 383.580 3.693 20 10 GHCDRP CC[N@H+](CCc1ccc(OC)cc1)Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236949125 1041968194 /nfs/dbraw/zinc/96/81/94/1041968194.db2.gz ZXKYGMOVFPXPOR-UHFFFAOYSA-N 2 0 385.527 3.651 20 10 GHCDRP CC(C)c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)c(O)c1 ZINC001237053409 1042012010 /nfs/dbraw/zinc/01/20/10/1042012010.db2.gz LKEQVIUAYMSUGX-ISKFKSNPSA-N 2 0 395.547 3.634 20 10 GHCDRP C[NH+]1CCN(Cc2cccc(C[NH2+]Cc3ccc4ccccc4c3O)c2)CC1 ZINC001330431075 1051009103 /nfs/dbraw/zinc/00/91/03/1051009103.db2.gz IKUVJGYFKPPLBD-UHFFFAOYSA-N 2 0 375.516 3.583 20 10 GHCDRP CCCC[N@H+](C)CC1CC[NH+](Cc2ccc(N3CCN(C)CC3)c(F)c2)CC1 ZINC001320479969 1055827563 /nfs/dbraw/zinc/82/75/63/1055827563.db2.gz GPAQMLAFWWRRIX-UHFFFAOYSA-N 2 0 390.591 3.521 20 10 GHCDRP CCC[NH+]1CCC(C[NH2+][C@H](C)c2cc(Br)cc(OC)c2O)CC1 ZINC000848524370 1057148129 /nfs/dbraw/zinc/14/81/29/1057148129.db2.gz IHTPEDRPPKWYIF-CYBMUJFWSA-N 2 0 385.346 3.936 20 10 GHCDRP C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001200255238 1065748441 /nfs/dbraw/zinc/74/84/41/1065748441.db2.gz MWVLMQUOXWTSHA-INIZCTEOSA-N 2 0 388.506 3.633 20 10 GHCDRP C[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccc(N2CCCCCC2)cc1 ZINC000765782528 854813109 /nfs/dbraw/zinc/81/31/09/854813109.db2.gz YVFTWGOWAZMVPT-OAQYLSRUSA-N 2 0 386.628 3.991 20 10 GHCDRP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cc(Cl)c(C)cc3O)C2)ccn1 ZINC000856548302 881362398 /nfs/dbraw/zinc/36/23/98/881362398.db2.gz FCVCKKPDIALNOV-LJQANCHMSA-N 2 0 389.927 3.854 20 10 GHCDRP CC[C@@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000765684386 860405031 /nfs/dbraw/zinc/40/50/31/860405031.db2.gz VVFHURQPXGTOOF-DNQXCXABSA-N 2 0 380.580 3.782 20 10 GHCDRP C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183196836 866335463 /nfs/dbraw/zinc/33/54/63/866335463.db2.gz IJGLISJFBDVWTK-NLWGTHIKSA-N 2 0 389.559 3.966 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@H]3c3ccc4c(c3)OCCO4)cc2)CC1 ZINC000775647371 872248875 /nfs/dbraw/zinc/24/88/75/872248875.db2.gz VVPDZWKKTNFTDR-QFIPXVFZSA-N 2 0 393.531 3.547 20 10 GHCDRP CC[NH+](CC)CC1CC[NH+](Cc2cc(Br)cc(OC)c2O)CC1 ZINC000768304127 873221626 /nfs/dbraw/zinc/22/16/26/873221626.db2.gz SHOSQGOXQBCYRT-UHFFFAOYSA-N 2 0 385.346 3.717 20 10 GHCDRP COc1ccc(N2CC[C@H]([NH2+]C3CC[NH+]([C@@H](C)Cc4ccccc4)CC3)C2)cc1 ZINC000850488065 876963785 /nfs/dbraw/zinc/96/37/85/876963785.db2.gz PSKATPAAXPPMSD-REWPJTCUSA-N 2 0 393.575 3.959 20 10 GHCDRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850566387 877033135 /nfs/dbraw/zinc/03/31/35/877033135.db2.gz NAXMBOBLOKCZIK-CPJSRVTESA-N 2 0 393.575 3.648 20 10 GHCDRP COc1cc(C)cc(C[N@H+](C)Cc2ccc(C[NH+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1O ZINC001183490764 912569494 /nfs/dbraw/zinc/56/94/94/912569494.db2.gz KDMAJLYFFSCTLU-KDURUIRLSA-N 2 0 398.547 3.950 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccncc3OCCC(C)(C)C)cc2)CC1 ZINC000808435762 886345300 /nfs/dbraw/zinc/34/53/00/886345300.db2.gz WBDLESQWRLABJS-UHFFFAOYSA-N 2 0 396.579 3.938 20 10 GHCDRP Cc1cc(Cl)cc([C@@H](C)[NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)c1O ZINC000808700550 886722224 /nfs/dbraw/zinc/72/22/24/886722224.db2.gz HDGJMBLKNAICEU-OAHLLOKOSA-N 2 0 395.975 3.631 20 10 GHCDRP C[C@H]([NH2+]Cc1cccc(-n2cc(C[NH3+])nn2)c1)c1ccc(N2CCCCC2)cc1 ZINC000873247939 891550061 /nfs/dbraw/zinc/55/00/61/891550061.db2.gz WOWSPFJEKIJAST-SFHVURJKSA-N 2 0 390.535 3.567 20 10 GHCDRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](CCc2ccccc2)c2ccccc2O)CC1 ZINC000815559855 893998130 /nfs/dbraw/zinc/99/81/30/893998130.db2.gz RMBHEAHMUCDPBO-NFBKMPQASA-N 2 0 381.564 3.682 20 10 GHCDRP CC[NH+]1CCN(CCC[NH2+][C@H](CCc2ccccc2)c2ccccc2O)CC1 ZINC000815558785 893998432 /nfs/dbraw/zinc/99/84/32/893998432.db2.gz NVVGZAXUSXXRAA-HSZRJFAPSA-N 2 0 381.564 3.683 20 10 GHCDRP CC[NH+]1CCC(N2CCC[N@H+](Cc3c(O)ccc4ccc(OC)cc43)CC2)CC1 ZINC000817372740 895549410 /nfs/dbraw/zinc/54/94/10/895549410.db2.gz LQNAWITZFZIMTL-UHFFFAOYSA-N 2 0 397.563 3.546 20 10 GHCDRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000817898450 895952603 /nfs/dbraw/zinc/95/26/03/895952603.db2.gz GFNFDIZBPZZECW-DOTOQJQBSA-N 2 0 390.478 3.770 20 10 GHCDRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000817900793 895954354 /nfs/dbraw/zinc/95/43/54/895954354.db2.gz SAIQPLMDNYOWHG-CDXJDZJCSA-N 2 0 389.490 3.805 20 10 GHCDRP CCN(C)c1ccc([C@H](C)[NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000817983369 895991666 /nfs/dbraw/zinc/99/16/66/895991666.db2.gz AVUUYAOPBAKIIM-FQEVSTJZSA-N 2 0 380.580 3.787 20 10 GHCDRP C[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccc(N2CCCCCC2)cc1 ZINC000817984492 895993286 /nfs/dbraw/zinc/99/32/86/895993286.db2.gz YVZFBBWEQRJYIK-CKQIISDPSA-N 2 0 384.612 3.934 20 10 GHCDRP FC(F)Oc1ccc(N2CCC[C@H]([NH2+]C3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC000130063153 896971640 /nfs/dbraw/zinc/97/16/40/896971640.db2.gz WIJWSTJYQBIZBQ-SFHVURJKSA-N 2 0 379.495 3.721 20 10 GHCDRP C[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccc2ccccc2c1O ZINC000185042231 907702322 /nfs/dbraw/zinc/70/23/22/907702322.db2.gz HFLFKCJCTBSEJF-KRWDZBQOSA-N 2 0 376.504 3.543 20 10 GHCDRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cc(Br)ccc1O ZINC000186126561 907881753 /nfs/dbraw/zinc/88/17/53/907881753.db2.gz DRZKUNTWEBINEQ-IRWQIABSSA-N 2 0 397.357 3.573 20 10 GHCDRP CC(C)CC(=O)Nc1cccc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC001177502358 908603539 /nfs/dbraw/zinc/60/35/39/908603539.db2.gz XNKAHQJSIPNKDE-UHFFFAOYSA-N 2 0 394.563 3.713 20 10 GHCDRP CC(C)(C)c1n[nH]cc1C[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000092856025 911868633 /nfs/dbraw/zinc/86/86/33/911868633.db2.gz FRHAGOHOLNLSOK-UHFFFAOYSA-N 2 0 381.568 3.529 20 10 GHCDRP C[C@H]([NH2+]Cc1cccc(CN2CC[NH+](C)CC2)c1)c1cc2c(cc1O)CCCC2 ZINC001116584686 933647798 /nfs/dbraw/zinc/64/77/98/933647798.db2.gz JMCUECMVFTVKMY-IBGZPJMESA-N 2 0 393.575 3.869 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3CCO[C@@](C)(c4ccc(F)cc4)C3)cc2)CC1 ZINC001140306751 1021363898 /nfs/dbraw/zinc/36/38/98/1021363898.db2.gz WMEDNSOBZRBKKY-XMMPIXPASA-N 2 0 397.538 3.715 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH+]3CCC4(CC3)OCCc3ccccc34)cc2)CC1 ZINC000835059149 1021829753 /nfs/dbraw/zinc/82/97/53/1021829753.db2.gz YJAIXJBILARWNF-UHFFFAOYSA-N 2 0 391.559 3.502 20 10 GHCDRP Cc1c2ccccc2n(C)c1C[NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC001461034076 1069349210 /nfs/dbraw/zinc/34/92/10/1069349210.db2.gz DWJTULXNTGRFIW-RUZDIDTESA-N 2 0 390.575 3.955 20 10 GHCDRP COc1cc(C[N@@H+]2CC[C@H](Sc3ccc(F)cc3)C2)cc(C[NH+](C)C)c1O ZINC001139258929 1026109874 /nfs/dbraw/zinc/10/98/74/1026109874.db2.gz BDQYUBFXYXBNOR-IBGZPJMESA-N 2 0 390.524 3.968 20 10 GHCDRP CC[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@@H](C)Cc1ccc(OC)cc1 ZINC001139404681 1026277335 /nfs/dbraw/zinc/27/73/35/1026277335.db2.gz VVJPNSPMKMVCQA-FQEVSTJZSA-N 2 0 381.564 3.900 20 10 GHCDRP COc1ccccc1C1CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC001139413571 1026285540 /nfs/dbraw/zinc/28/55/40/1026285540.db2.gz XGDZXHQCOXOBPQ-UHFFFAOYSA-N 2 0 379.548 3.827 20 10 GHCDRP COc1ccc(C(C)(C)C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)cc1OC ZINC001461156116 1069417008 /nfs/dbraw/zinc/41/70/08/1069417008.db2.gz VQEZZMZXIFVFRS-UHFFFAOYSA-N 2 0 397.563 3.523 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CN(Cc4ccccc4)C(C)(C)C3)cc2)CC1 ZINC001203491405 1027378512 /nfs/dbraw/zinc/37/85/12/1027378512.db2.gz KEIWAGGVBXZYSD-QHCPKHFHSA-N 2 0 392.591 3.581 20 10 GHCDRP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000842920442 1029686121 /nfs/dbraw/zinc/68/61/21/1029686121.db2.gz IOKFJUCNCOBBTE-BWAGFHJFSA-N 2 0 397.538 3.658 20 10 GHCDRP Cc1nn(-c2cccc(C)c2)cc1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001461718627 1069700410 /nfs/dbraw/zinc/70/04/10/1069700410.db2.gz WBXYLRJOLZOFPI-UHFFFAOYSA-N 2 0 389.547 3.531 20 10 GHCDRP [NH3+]C[C@]1(F)CCC[N@H+](Cc2c(O)ccc3cc(Br)ccc32)CC1 ZINC001205582227 1033477805 /nfs/dbraw/zinc/47/78/05/1033477805.db2.gz XIWBKENGZBGUFK-SFHVURJKSA-N 2 0 381.289 3.961 20 10 GHCDRP Cc1cc(C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)c(O)cc1Br ZINC001206760271 1033973371 /nfs/dbraw/zinc/97/33/71/1033973371.db2.gz CAQNYBKTZSPEIC-UHFFFAOYSA-N 2 0 389.337 3.956 20 10 GHCDRP C[NH+]1CCC(CC[NH+]2CCN(c3ccc(OCc4cccnc4)cc3)CC2)CC1 ZINC001207488052 1034395389 /nfs/dbraw/zinc/39/53/89/1034395389.db2.gz DFHLWQCWRKXSTH-UHFFFAOYSA-N 2 0 394.563 3.515 20 10 GHCDRP Cc1cc(N2CC[NH+](Cc3ccc(OCc4ccccc4)cc3O)CC2)cc[nH+]1 ZINC001231469667 1034615942 /nfs/dbraw/zinc/61/59/42/1034615942.db2.gz QRHDFNUWIKSNSC-UHFFFAOYSA-N 2 0 389.499 3.997 20 10 GHCDRP COc1ccc(Br)c(C[N@H+](C)CC2CC[NH+](C(C)C)CC2)c1O ZINC001231553064 1034705574 /nfs/dbraw/zinc/70/55/74/1034705574.db2.gz PDWYZYNFNPMCAH-UHFFFAOYSA-N 2 0 385.346 3.716 20 10 GHCDRP Cc1cc(C)c(C[NH+]2CCC3(CC2)COCC[N@H+](Cc2cccnc2)C3)c(O)c1 ZINC001231843903 1034937914 /nfs/dbraw/zinc/93/79/14/1034937914.db2.gz CQJINNANXUCXHU-UHFFFAOYSA-N 2 0 395.547 3.519 20 10 GHCDRP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc3ccccc3c1O)C2 ZINC001231879069 1034963031 /nfs/dbraw/zinc/96/30/31/1034963031.db2.gz UYGVPTNCJVKCEV-URXFXBBRSA-N 2 0 380.532 3.726 20 10 GHCDRP C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+]Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001246173014 1037222201 /nfs/dbraw/zinc/22/22/01/1037222201.db2.gz JMIBOMWHBPJPIT-INIZCTEOSA-N 2 0 393.453 3.716 20 10 GHCDRP C[C@H](Cc1ccc(Br)cc1)[NH2+]Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001246176356 1037224588 /nfs/dbraw/zinc/22/45/88/1037224588.db2.gz WUHRIGOILGJRNW-MRXNPFEDSA-N 2 0 388.353 3.580 20 10 GHCDRP COc1cc(O)c(C[NH+]2CCC(C3CC[NH+](C)CC3)CC2)cc1Br ZINC001233138504 1038917737 /nfs/dbraw/zinc/91/77/37/1038917737.db2.gz ASWOHKKIJNZTJY-UHFFFAOYSA-N 2 0 397.357 3.717 20 10 GHCDRP COc1ccc(C[NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)c(O)c1OC ZINC001462476683 1070286171 /nfs/dbraw/zinc/28/61/71/1070286171.db2.gz MOQGTIUBQLJUAL-UHFFFAOYSA-N 2 0 384.520 3.801 20 10 GHCDRP COc1cc(O)c(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)c(Br)c1 ZINC001235236271 1040716425 /nfs/dbraw/zinc/71/64/25/1040716425.db2.gz DGERNUMSPMOVKG-KRWDZBQOSA-N 2 0 383.330 3.517 20 10 GHCDRP c1ccc([C@H]2COC3(C2)CC[NH+](Cc2ccc(N4CC[NH2+]CC4)cc2)CC3)cc1 ZINC001235573650 1040994813 /nfs/dbraw/zinc/99/48/13/1040994813.db2.gz DJCJJSTULFDXND-HSZRJFAPSA-N 2 0 391.559 3.635 20 10 GHCDRP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccc(N3CCOCC3)cc2)Cc2ccccc2F)CC1 ZINC001236536473 1041755305 /nfs/dbraw/zinc/75/53/05/1041755305.db2.gz FBPSATAJQPVBNY-AFARHQOCSA-N 2 0 397.538 3.934 20 10 GHCDRP CCOC(=O)c1c(C[N@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)c2ccccc2n1C ZINC001236551275 1041759480 /nfs/dbraw/zinc/75/94/80/1041759480.db2.gz NKONEPYOOWVAHJ-IYARVYRRSA-N 2 0 383.536 3.837 20 10 GHCDRP COc1cc(O)c(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cc1OC ZINC001236755669 1041874567 /nfs/dbraw/zinc/87/45/67/1041874567.db2.gz FVGLMCCGFIXZER-WOJBJXKFSA-N 2 0 396.531 3.753 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH+]3CCC4(COc5ccccc54)CC3)c(F)c2)CC1 ZINC001236943929 1041966172 /nfs/dbraw/zinc/96/61/72/1041966172.db2.gz XPOXQYKBABOPMB-UHFFFAOYSA-N 2 0 395.522 3.504 20 10 GHCDRP Cc1cnccc1O[C@@H]1CC[N@H+](Cc2ccc(OCC(F)(F)F)cc2O)C1 ZINC001237064276 1042017590 /nfs/dbraw/zinc/01/75/90/1042017590.db2.gz ZJDAVNRFFKWYND-MRXNPFEDSA-N 2 0 382.382 3.690 20 10 GHCDRP c1ccc(COc2ccc(N3CC[NH+](CC[C@@H]4CCC[NH2+]C4)CC3)cc2)cc1 ZINC001237248354 1042106506 /nfs/dbraw/zinc/10/65/06/1042106506.db2.gz LAMUIXFJDHYRAY-NRFANRHFSA-N 2 0 379.548 3.777 20 10 GHCDRP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CC[NH+](Cc1c(C)cccc1O)CC2 ZINC001237486730 1042229819 /nfs/dbraw/zinc/22/98/19/1042229819.db2.gz TUYXZKSZAXCIPX-OAQYLSRUSA-N 2 0 395.547 3.599 20 10 GHCDRP COc1ccc(C[NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1Cn1cccn1 ZINC001308204552 1049911855 /nfs/dbraw/zinc/91/18/55/1049911855.db2.gz UYADVBXFYGBZDD-BGYRXZFFSA-N 2 0 384.568 3.788 20 10 GHCDRP CCCN(Cc1c(Cl)cccc1N1CC[NH+](C)CC1)c1ccc(C[NH3+])cc1 ZINC001308741045 1050077211 /nfs/dbraw/zinc/07/72/11/1050077211.db2.gz RKFLPHUQFDKPFR-UHFFFAOYSA-N 2 0 386.971 3.967 20 10 GHCDRP CC(C)[NH+](CCNC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2)C(C)C ZINC001440663746 1058567781 /nfs/dbraw/zinc/56/77/81/1058567781.db2.gz CEJQRCVKXUFNEH-UHFFFAOYSA-N 2 0 398.595 3.643 20 10 GHCDRP COc1ccc2cc(C[NH2+]Cc3ccc(N4CC[NH+](C)CC4)cc3)ccc2c1 ZINC001473919522 1074203158 /nfs/dbraw/zinc/20/31/58/1074203158.db2.gz SYQBLHOHDYQUNH-UHFFFAOYSA-N 2 0 375.516 3.890 20 10 GHCDRP CC[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccc(C)cc1O ZINC000280014774 846259287 /nfs/dbraw/zinc/25/92/87/846259287.db2.gz GYEKTOQJURWTIO-IFMALSPDSA-N 2 0 395.547 3.639 20 10 GHCDRP CN(Cc1ccc(N2CC[NH+](C)CC2)cc1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000775644975 872258026 /nfs/dbraw/zinc/25/80/26/872258026.db2.gz UWWCKVQWAKRFOE-UHFFFAOYSA-N 2 0 388.899 3.632 20 10 GHCDRP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccc2ccccc2c1O ZINC000850509423 876981406 /nfs/dbraw/zinc/98/14/06/876981406.db2.gz PWZVIYUCXFGEST-UWJYYQICSA-N 2 0 376.500 3.963 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3cc(Cl)cc(C)c3O)cn2)CC1 ZINC000808676327 886672483 /nfs/dbraw/zinc/67/24/83/886672483.db2.gz ARELVUBNBMEACY-INIZCTEOSA-N 2 0 388.943 3.742 20 10 GHCDRP CC(C)OC(=O)C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000809764179 887806657 /nfs/dbraw/zinc/80/66/57/887806657.db2.gz UIGVTJKMTQYABY-HSZRJFAPSA-N 2 0 395.547 3.611 20 10 GHCDRP COc1ccc(F)cc1C[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000812757915 890943747 /nfs/dbraw/zinc/94/37/47/890943747.db2.gz XRQJCHFPROAWKI-UHFFFAOYSA-N 2 0 383.511 3.656 20 10 GHCDRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)c1 ZINC000124005276 891220843 /nfs/dbraw/zinc/22/08/43/891220843.db2.gz XGNLJXHMGWYSKT-SFHVURJKSA-N 2 0 385.527 3.965 20 10 GHCDRP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1ccc(-n2cccn2)c(F)c1 ZINC000815149845 893523085 /nfs/dbraw/zinc/52/30/85/893523085.db2.gz CQMSAKLJAYVWLX-SFHVURJKSA-N 2 0 393.510 3.614 20 10 GHCDRP Oc1c(C[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)ccc2ccccc21 ZINC000816528342 894926918 /nfs/dbraw/zinc/92/69/18/894926918.db2.gz XUONZBPAGFVCGS-UHFFFAOYSA-N 2 0 376.500 3.792 20 10 GHCDRP C[C@@H]1CCCN(c2ccc(C[NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)cc2Cl)C1 ZINC000817929797 895949611 /nfs/dbraw/zinc/94/96/11/895949611.db2.gz KIKCXJIIEFBDOP-KRZXBLKESA-N 2 0 391.987 3.823 20 10 GHCDRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000817898453 895952279 /nfs/dbraw/zinc/95/22/79/895952279.db2.gz GFNFDIZBPZZECW-WBVHZDCISA-N 2 0 390.478 3.770 20 10 GHCDRP CCOc1cccc(C[NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)c1 ZINC000092855883 911867182 /nfs/dbraw/zinc/86/71/82/911867182.db2.gz PZIDXTFTNNIRMI-UHFFFAOYSA-N 2 0 379.548 3.907 20 10 GHCDRP C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248397887 912053847 /nfs/dbraw/zinc/05/38/47/912053847.db2.gz IJGLISJFBDVWTK-NSHGMRRFSA-N 2 0 389.559 3.966 20 10 GHCDRP CC[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccc(N(C)C)cc1 ZINC000248437885 912099899 /nfs/dbraw/zinc/09/98/99/912099899.db2.gz HJSUUNHPNCMOJI-BJKOFHAPSA-N 2 0 381.564 3.950 20 10 GHCDRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000749287498 927035162 /nfs/dbraw/zinc/03/51/62/927035162.db2.gz OHRXMODTVYVHAY-YKSBVNFPSA-N 2 0 379.548 3.523 20 10 GHCDRP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)c2c1c(F)ccc2O ZINC000757640335 929754924 /nfs/dbraw/zinc/75/49/24/929754924.db2.gz RZUVCZJZOCVIEC-MOXGXCLJSA-N 2 0 384.495 3.826 20 10 GHCDRP C[NH+]1CCC2(CCC[N@H+](Cc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)C2)CC1 ZINC000798956637 932838339 /nfs/dbraw/zinc/83/83/39/932838339.db2.gz HQLRPEHUOAILRL-UHFFFAOYSA-N 2 0 386.540 3.893 20 10 GHCDRP COc1ccccc1CC1CC[NH+](Cc2cc(C[NH+](C)C)c(O)c(OC)c2)CC1 ZINC001139256202 1026106178 /nfs/dbraw/zinc/10/61/78/1026106178.db2.gz WXDHQJITSUNUNM-UHFFFAOYSA-N 2 0 398.547 3.926 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCSC[C@H]3c3ccc(F)cc3)cc2)CC1 ZINC001139412354 1026285651 /nfs/dbraw/zinc/28/56/51/1026285651.db2.gz ICBZZSGIPWDLET-QFIPXVFZSA-N 2 0 385.552 3.868 20 10 GHCDRP CC[C@@H](C)Oc1cc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)ccc1OC ZINC001203492462 1027379132 /nfs/dbraw/zinc/37/91/32/1027379132.db2.gz ZUVMNTYKNFFNAF-LJQANCHMSA-N 2 0 397.563 3.914 20 10 GHCDRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccc(OCc3ccccc3)cc2O)CC1 ZINC000841099800 1028134868 /nfs/dbraw/zinc/13/48/68/1028134868.db2.gz PDRHLGDLUOHLMH-ISKFKSNPSA-N 2 0 396.531 3.690 20 10 GHCDRP COc1cc(Br)cc(CN2CCCC[C@@]3(CCCC[NH2+]C3)C2)c1O ZINC001222161429 1029982532 /nfs/dbraw/zinc/98/25/32/1029982532.db2.gz ODXAAWSWIMQRBN-LJQANCHMSA-N 2 0 397.357 3.909 20 10 GHCDRP CCOC(=O)[C@H]1CC2(C[N@@H+]1Cc1ccc(-n3c(C)ccc3C)cc1)CC[NH2+]CC2 ZINC001222221635 1030016727 /nfs/dbraw/zinc/01/67/27/1030016727.db2.gz OXFKVGGAZLOSEC-JOCHJYFZSA-N 2 0 395.547 3.601 20 10 GHCDRP COc1cc(N(C)C)ccc1C[NH+]1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001231853517 1034943672 /nfs/dbraw/zinc/94/36/72/1034943672.db2.gz XOVTVUIIFRNIMC-UHFFFAOYSA-N 2 0 394.563 3.644 20 10 GHCDRP CCOC(=O)c1c(C[NH+]2CCC(C3CC[NH+](C)CC3)CC2)c2ccccc2n1C ZINC001233272682 1039040916 /nfs/dbraw/zinc/04/09/16/1039040916.db2.gz VVYNTJVHRJHBNZ-UHFFFAOYSA-N 2 0 397.563 3.909 20 10 GHCDRP Oc1c(C[N@@H+]2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)cccc1OC(F)(F)F ZINC001235376304 1040887537 /nfs/dbraw/zinc/88/75/37/1040887537.db2.gz DGYOJBXYSJANQY-XLIONFOSSA-N 2 0 392.421 3.870 20 10 GHCDRP Oc1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235377958 1040892875 /nfs/dbraw/zinc/89/28/75/1040892875.db2.gz XLAZWKRYEUWNAY-QUCCMNQESA-N 2 0 376.422 3.990 20 10 GHCDRP Clc1ccc(CO[C@H]2CCC[N@H+](Cc3ccc(N4CC[NH2+]CC4)cc3)C2)cc1 ZINC001235708921 1041191191 /nfs/dbraw/zinc/19/11/91/1041191191.db2.gz BYFUPWPXCWMMPG-QHCPKHFHSA-N 2 0 399.966 3.931 20 10 GHCDRP Cc1ccccc1O[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)C1 ZINC001236941200 1041966185 /nfs/dbraw/zinc/96/61/85/1041966185.db2.gz YCHKUATUOGDAPA-OAQYLSRUSA-N 2 0 383.511 3.539 20 10 GHCDRP COc1cc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)c(O)c(OC)c1 ZINC001237677437 1042318755 /nfs/dbraw/zinc/31/87/55/1042318755.db2.gz NGYKUHMXXYGZAY-PMACEKPBSA-N 2 0 396.531 3.753 20 10 GHCDRP [NH3+][C@H](c1ccccc1O)[C@H](N[C@H]1CCC[N@@H+](C2CCCC2)C1)c1ccccc1O ZINC001256910127 1043737213 /nfs/dbraw/zinc/73/72/13/1043737213.db2.gz XJCSPFRXNWUJCX-PKKBDPGCSA-N 2 0 395.547 3.836 20 10 GHCDRP [O-]c1cc(Cl)c(Cl)cc1C[N@H+]1C[C@@H]2CC[NH+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001279663785 1047904118 /nfs/dbraw/zinc/90/41/18/1047904118.db2.gz FJKZDEOIXRHRJD-GASCZTMLSA-N 2 0 395.334 3.766 20 10 GHCDRP C[C@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000195137314 840412647 /nfs/dbraw/zinc/41/26/47/840412647.db2.gz OPZCTEJQGKNTGX-PZJWPPBQSA-N 2 0 397.538 3.835 20 10 GHCDRP CC[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccc(C)cc1O ZINC000280014782 846259455 /nfs/dbraw/zinc/25/94/55/846259455.db2.gz GYEKTOQJURWTIO-RBBKRZOGSA-N 2 0 395.547 3.639 20 10 GHCDRP CCOc1ccc(O)c(C[N@@H+]2CC[C@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)c1 ZINC000856560415 881440963 /nfs/dbraw/zinc/44/09/63/881440963.db2.gz LQJNRZBSNXPGGY-QFIPXVFZSA-N 2 0 399.535 3.679 20 10 GHCDRP CCN(C)c1ccc([C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)cc1 ZINC000161161918 859657445 /nfs/dbraw/zinc/65/74/45/859657445.db2.gz YZFMLZUJTPTHPI-LJQANCHMSA-N 2 0 381.564 3.950 20 10 GHCDRP CN(C)c1ccc(CNc2c[nH+]ccc2N2CC[NH+](C)CC2)c(C(F)(F)F)c1 ZINC000793030895 881880387 /nfs/dbraw/zinc/88/03/87/881880387.db2.gz ATICUSJHUOTMPE-UHFFFAOYSA-N 2 0 393.457 3.530 20 10 GHCDRP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)Cc1ccccc1N1CCCC1 ZINC000775645992 872266169 /nfs/dbraw/zinc/26/61/69/872266169.db2.gz DIVMPESPHQVWJH-UHFFFAOYSA-N 2 0 378.564 3.671 20 10 GHCDRP Cc1ccccc1[C@@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@@H](C)CO1 ZINC000775713632 873056334 /nfs/dbraw/zinc/05/63/34/873056334.db2.gz KRTYQFYCVYGKPA-RDPSFJRHSA-N 2 0 379.548 3.709 20 10 GHCDRP Cc1ccccc1[C@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@H](C)CO1 ZINC000775713630 873057597 /nfs/dbraw/zinc/05/75/97/873057597.db2.gz KRTYQFYCVYGKPA-HYBUGGRVSA-N 2 0 379.548 3.709 20 10 GHCDRP CCN(CC)c1ccc(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)cc1F ZINC000769538157 874142371 /nfs/dbraw/zinc/14/23/71/874142371.db2.gz UCUGAQVDLJNVNW-UHFFFAOYSA-N 2 0 390.591 3.662 20 10 GHCDRP Cc1cc(O)c(C[NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)c(Cl)c1 ZINC001199190023 874844906 /nfs/dbraw/zinc/84/49/06/874844906.db2.gz RAZCFLCGTGYZAK-NRFANRHFSA-N 2 0 387.955 3.822 20 10 GHCDRP Oc1cccc(Br)c1C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000858155787 882894001 /nfs/dbraw/zinc/89/40/01/882894001.db2.gz IPTQPCFDRQPANI-UHFFFAOYSA-N 2 0 376.298 3.556 20 10 GHCDRP CN1CCN(c2ccc(CNc3ccc(CC[NH+]4CCCC4)cc3)cc2F)CC1 ZINC001201298246 875617338 /nfs/dbraw/zinc/61/73/38/875617338.db2.gz JZEPHIJHMBFNKH-UHFFFAOYSA-N 2 0 396.554 3.828 20 10 GHCDRP COc1cc(O)c(C[NH2+]CC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cc1OC ZINC000776251989 876031016 /nfs/dbraw/zinc/03/10/16/876031016.db2.gz HVRIGPABYBQRNA-HKUYNNGSSA-N 2 0 384.520 3.800 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccccc3CC(F)(F)F)cc2)CC1 ZINC000858329720 883029891 /nfs/dbraw/zinc/02/98/91/883029891.db2.gz MLTZAIATUXPQHO-UHFFFAOYSA-N 2 0 377.454 3.833 20 10 GHCDRP Fc1ccc(C[NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)c(F)c1F ZINC000850234710 876746616 /nfs/dbraw/zinc/74/66/16/876746616.db2.gz JLPSWJWDUHXJPF-UHFFFAOYSA-N 2 0 389.465 3.926 20 10 GHCDRP Cc1cc(Br)c(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)s1 ZINC000850380908 876865293 /nfs/dbraw/zinc/86/52/93/876865293.db2.gz QDHKUVYPPSNBIM-UHFFFAOYSA-N 2 0 394.382 3.861 20 10 GHCDRP COc1ccc(N2CC[C@H]([NH2+][C@H](C)c3ccc(OCC[NH+](C)C)cc3)C2)cc1 ZINC000850488811 876966185 /nfs/dbraw/zinc/96/61/85/876966185.db2.gz OVTRRKMCKWUKCY-QUCCMNQESA-N 2 0 383.536 3.565 20 10 GHCDRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3ccc(N4CCC(O)CC4)cc3)CC2)C1 ZINC000850566500 877033724 /nfs/dbraw/zinc/03/37/24/877033724.db2.gz OJNOWSUHVOGYGV-XXBNENTESA-N 2 0 385.596 3.780 20 10 GHCDRP COc1cc(O)c(C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)cc1OC ZINC000179918051 878213703 /nfs/dbraw/zinc/21/37/03/878213703.db2.gz YCFGVGBUDOAXPX-UHFFFAOYSA-N 2 0 385.508 3.543 20 10 GHCDRP CC[C@@H]([NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1O ZINC000810210418 888322984 /nfs/dbraw/zinc/32/29/84/888322984.db2.gz UMGWJUGZUPQJMG-QZTJIDSGSA-N 2 0 387.490 3.724 20 10 GHCDRP [NH3+]CCN(c1ccc(C[NH+]2CCC(C[NH3+])CC2)cc1)C12CC3CC(CC(C3)C1)C2 ZINC001170631762 889431625 /nfs/dbraw/zinc/43/16/25/889431625.db2.gz XFEWFTGQCGJSMH-UHFFFAOYSA-N 3 0 396.623 3.591 20 10 GHCDRP C[NH+]1CCC(N2CC[C@@H]([NH2+][C@H](CCc3ccccc3)c3ccccc3O)C2)CC1 ZINC000815579400 894018516 /nfs/dbraw/zinc/01/85/16/894018516.db2.gz MIQGMRPYOZKXDM-ZJSXRUAMSA-N 2 0 393.575 3.824 20 10 GHCDRP COc1cc(C)c([C@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)cc1OC ZINC000883289767 897454908 /nfs/dbraw/zinc/45/49/08/897454908.db2.gz ZQMDSRSHCIFRLD-SFHVURJKSA-N 2 0 383.536 3.615 20 10 GHCDRP C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000778643771 897841368 /nfs/dbraw/zinc/84/13/68/897841368.db2.gz WIOJERSTNKTZSH-DENIHFKCSA-N 2 0 397.538 3.663 20 10 GHCDRP C[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccc2ccccc2c1O ZINC000185165958 907724844 /nfs/dbraw/zinc/72/48/44/907724844.db2.gz SEQMDMLFDRFHIB-QGZVFWFLSA-N 2 0 376.504 3.543 20 10 GHCDRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cc2c(cc1O)CCCC2 ZINC000186520249 907937203 /nfs/dbraw/zinc/93/72/03/907937203.db2.gz QIRNFAMHNOERCU-JTSKRJEESA-N 2 0 380.532 3.688 20 10 GHCDRP C[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000774496584 911799606 /nfs/dbraw/zinc/79/96/06/911799606.db2.gz MPGFGAIDHRRPNS-MRXNPFEDSA-N 2 0 377.960 3.702 20 10 GHCDRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)[C@@H]2CCC[C@@H]21 ZINC000796774126 932062182 /nfs/dbraw/zinc/06/21/82/932062182.db2.gz DCTJVPGTICPYDS-TTYHFUOFSA-N 2 0 379.495 3.719 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](c3cncc(F)c3)C3CC3)cc2F)CC1 ZINC000798928700 932820157 /nfs/dbraw/zinc/82/01/57/932820157.db2.gz CVFJNZPHIXZUKS-JOCHJYFZSA-N 2 0 386.490 3.743 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3Cc4[nH]c5ccccc5c4C3)cc2F)CC1 ZINC000799717817 933099343 /nfs/dbraw/zinc/09/93/43/933099343.db2.gz VGBQTMAWISIGSJ-GOSISDBHSA-N 2 0 392.522 3.706 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH+]3CCC(c4nc5ccccc5o4)CC3)cc2)CC1 ZINC001116472153 933579354 /nfs/dbraw/zinc/57/93/54/933579354.db2.gz VQGQYKJVAZPVSA-UHFFFAOYSA-N 2 0 390.531 3.959 20 10 GHCDRP COc1cc(C[NH+]2CCC3(CC[C@@H]3[N@H+](C)Cc3ccco3)CC2)cc(O)c1O ZINC001204346231 1032784685 /nfs/dbraw/zinc/78/46/85/1032784685.db2.gz HIMPKHRGPFSFHG-FQEVSTJZSA-N 2 0 386.492 3.576 20 10 GHCDRP COc1cc(O)c(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)c(OC)c1 ZINC001141032994 1023301071 /nfs/dbraw/zinc/30/10/71/1023301071.db2.gz WKYYOIXPWQUEIT-PMACEKPBSA-N 2 0 396.531 3.753 20 10 GHCDRP C[C@H]1C[C@H]([NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)c2c1c(F)ccc2O ZINC000756606900 1023735069 /nfs/dbraw/zinc/73/50/69/1023735069.db2.gz FJUJFNMQPQKVPD-WMZOPIPTSA-N 2 0 375.532 3.620 20 10 GHCDRP Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)c(O)c1C ZINC000756731825 1023792159 /nfs/dbraw/zinc/79/21/59/1023792159.db2.gz DTIREDPJIOCIHS-LJQANCHMSA-N 2 0 395.547 3.685 20 10 GHCDRP COc1cc(CN(C)Cc2ccccc2Br)cc(C[NH+](C)C)c1O ZINC001139252880 1026102630 /nfs/dbraw/zinc/10/26/30/1026102630.db2.gz DCIMKCDAZVHTIK-UHFFFAOYSA-N 2 0 393.325 3.857 20 10 GHCDRP COc1cc(C[NH+]2CCC(c3ccccc3OC)CC2)cc(C[NH+](C)C)c1O ZINC001139258016 1026107882 /nfs/dbraw/zinc/10/78/82/1026107882.db2.gz JKHVMHSBEGHLJY-UHFFFAOYSA-N 2 0 384.520 3.851 20 10 GHCDRP CC[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@H](C)Cc1ccc(OC)cc1 ZINC001139404682 1026277633 /nfs/dbraw/zinc/27/76/33/1026277633.db2.gz VVJPNSPMKMVCQA-HXUWFJFHSA-N 2 0 381.564 3.900 20 10 GHCDRP COc1cc(C[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC001461235744 1069455403 /nfs/dbraw/zinc/45/54/03/1069455403.db2.gz ZGBPZNGKEDVHOL-IRXDYDNUSA-N 2 0 378.557 3.677 20 10 GHCDRP COc1cc(O)c(C[N@@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)cc1OC ZINC000843106539 1029812125 /nfs/dbraw/zinc/81/21/25/1029812125.db2.gz BIVWJRAGEGSGLD-UYAOXDASSA-N 2 0 384.520 3.582 20 10 GHCDRP [NH3+]C[C@]1(F)CCCC[N@H+](Cc2c(O)ccc3cc(Br)ccc32)C1 ZINC001206369740 1033818791 /nfs/dbraw/zinc/81/87/91/1033818791.db2.gz HPTKUWWWBOQOKA-GOSISDBHSA-N 2 0 381.289 3.961 20 10 GHCDRP [NH3+]CC1(c2ccccc2)CC[NH+](Cc2c(O)cccc2Br)CC1 ZINC001206749616 1033968489 /nfs/dbraw/zinc/96/84/89/1033968489.db2.gz JERYAELYDORGHW-UHFFFAOYSA-N 2 0 375.310 3.647 20 10 GHCDRP COC(=O)c1c(C[N@H+](C)CCCC[NH+]2CCCCC2)c2cc(F)ccc2n1C ZINC001207302529 1034252625 /nfs/dbraw/zinc/25/26/25/1034252625.db2.gz QNDKUMTUAHAAOL-UHFFFAOYSA-N 2 0 389.515 3.802 20 10 GHCDRP COc1ccc2ccc(O)c(C[NH+]3CCC4(CCn5c(C)cnc54)CC3)c2c1 ZINC001234535683 1040107811 /nfs/dbraw/zinc/10/78/11/1040107811.db2.gz DBDGBCJEYWDUML-UHFFFAOYSA-N 2 0 377.488 3.996 20 10 GHCDRP C[NH+]1CCC(C[NH2+]Cc2ccc(Br)cc2O)(c2ccccc2)CC1 ZINC001462509814 1070312234 /nfs/dbraw/zinc/31/22/34/1070312234.db2.gz CFUNCNYNNLTSQU-UHFFFAOYSA-N 2 0 389.337 3.908 20 10 GHCDRP c1ccc([C@@H]2CO[C@@]3(C2)CCC[N@@H+](Cc2ccc(N4CC[NH2+]CC4)cc2)C3)cc1 ZINC001235532819 1040978735 /nfs/dbraw/zinc/97/87/35/1040978735.db2.gz OVTQSQGWWKIURR-UKILVPOCSA-N 2 0 391.559 3.635 20 10 GHCDRP O=C(c1ccc(Cl)cc1)C1CC[NH+](Cc2ccc(N3CC[NH2+]CC3)cc2)CC1 ZINC001235693411 1041169218 /nfs/dbraw/zinc/16/92/18/1041169218.db2.gz AUDSBDCQUFTXHZ-UHFFFAOYSA-N 2 0 397.950 3.845 20 10 GHCDRP Oc1c(C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)cc2c3c1CCCN3CCC2 ZINC001236373385 1041686133 /nfs/dbraw/zinc/68/61/33/1041686133.db2.gz HDQPRPATFXYBBC-GOSISDBHSA-N 2 0 383.580 3.835 20 10 GHCDRP COc1ccc(C[N@H+](Cc2ccc3c(c2)CCCN3C)C2CC[NH2+]CC2)cc1 ZINC001236441337 1041712593 /nfs/dbraw/zinc/71/25/93/1041712593.db2.gz DKEYPPQWFPMSBP-UHFFFAOYSA-N 2 0 379.548 3.832 20 10 GHCDRP FC(F)(F)Oc1ccc(N2CC[NH+](Cc3ccc4c(c3)C[NH2+]CC4)CC2)cc1 ZINC001237204238 1042091234 /nfs/dbraw/zinc/09/12/34/1042091234.db2.gz CNBPWTJLGRBLPP-UHFFFAOYSA-N 2 0 391.437 3.553 20 10 GHCDRP COc1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)c(O)c(OC)c1 ZINC001237677443 1042318622 /nfs/dbraw/zinc/31/86/22/1042318622.db2.gz NGYKUHMXXYGZAY-UXHICEINSA-N 2 0 396.531 3.753 20 10 GHCDRP Cc1cccc(N2CCC[N@H+](Cc3cc(Br)c(C)cc3O)CC2)n1 ZINC001237682295 1042323051 /nfs/dbraw/zinc/32/30/51/1042323051.db2.gz QLUDQRHRKWAVTB-UHFFFAOYSA-N 2 0 390.325 3.879 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(CSC(F)F)o3)cc2)CC1 ZINC001308503350 1049992372 /nfs/dbraw/zinc/99/23/72/1049992372.db2.gz JTVOCEBQFDNZFL-UHFFFAOYSA-N 2 0 381.492 3.777 20 10 GHCDRP COc1ccc(CN2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c(O)c1OC ZINC001308759014 1050084653 /nfs/dbraw/zinc/08/46/53/1050084653.db2.gz ABFYONVWIPIDHJ-HSZRJFAPSA-N 2 0 382.504 3.507 20 10 GHCDRP Cc1ccccc1CN1CCC([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC001473938215 1074211221 /nfs/dbraw/zinc/21/12/21/1074211221.db2.gz BCXCOYKANNTYEW-UHFFFAOYSA-N 2 0 392.591 3.501 20 10 GHCDRP CC[C@H]([NH2+]CCCC[NH+]1CCN(CC)CC1)c1cc(Br)ccc1O ZINC000155125447 836437447 /nfs/dbraw/zinc/43/74/47/836437447.db2.gz BUTBBCZDDZUEEV-SFHVURJKSA-N 2 0 398.389 3.613 20 10 GHCDRP C[C@@H]1CCCCN1c1cccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)[nH+]1 ZINC001167431344 840047891 /nfs/dbraw/zinc/04/78/91/840047891.db2.gz UKLKAWVTPOKWQZ-LJQANCHMSA-N 2 0 379.552 3.824 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3ccc4c(c3)COC4)cc2F)CC1 ZINC000765853888 855751281 /nfs/dbraw/zinc/75/12/81/855751281.db2.gz WDXCFMKWVWETDZ-QGZVFWFLSA-N 2 0 383.511 3.849 20 10 GHCDRP C[C@@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000764968762 859712947 /nfs/dbraw/zinc/71/29/47/859712947.db2.gz CKZWRXXXKQEWKB-GUDVDZBRSA-N 2 0 377.548 3.681 20 10 GHCDRP C[C@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000764968771 859713016 /nfs/dbraw/zinc/71/30/16/859713016.db2.gz CKZWRXXXKQEWKB-QRVBRYPASA-N 2 0 377.548 3.681 20 10 GHCDRP Oc1ccc(Br)cc1C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000904475741 860467525 /nfs/dbraw/zinc/46/75/25/860467525.db2.gz QNXADSFOQDICOF-LPHOPBHVSA-N 2 0 389.293 3.500 20 10 GHCDRP CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)C1 ZINC000444258468 863775191 /nfs/dbraw/zinc/77/51/91/863775191.db2.gz HTIKXAXSWYZLCL-GOSISDBHSA-N 2 0 398.595 3.500 20 10 GHCDRP Cc1cc(C)c([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)c(O)c1 ZINC000840889142 866190414 /nfs/dbraw/zinc/19/04/14/866190414.db2.gz OWNOAKJLOCYEPB-SFHVURJKSA-N 2 0 395.547 3.557 20 10 GHCDRP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3c(O)ccc4cc(Br)ccc43)C2)C1 ZINC000793765549 882392061 /nfs/dbraw/zinc/39/20/61/882392061.db2.gz JRPIBAHSSHYZCX-LJQANCHMSA-N 2 0 375.310 3.836 20 10 GHCDRP COc1cc(C[NH2+]Cc2ccccc2OCC[NH+](C)C)c(O)c(C(C)(C)C)c1 ZINC000850098946 876663719 /nfs/dbraw/zinc/66/37/19/876663719.db2.gz BMPKCOHXTRLFOE-UHFFFAOYSA-N 2 0 386.536 3.929 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCC[C@@H](c4ccnn4C)C3)cc2F)CC1 ZINC000790485794 879758798 /nfs/dbraw/zinc/75/87/98/879758798.db2.gz JVONRGKZJDYAIV-UXHICEINSA-N 2 0 399.558 3.517 20 10 GHCDRP CC[C@H]([NH2+]C[C@@H](C)CN1CC[NH+](CC)CC1)c1ccc(C(F)(F)F)cc1O ZINC000810215512 888292942 /nfs/dbraw/zinc/29/29/42/888292942.db2.gz GOKSGEUWFZCCRN-QAPCUYQASA-N 2 0 387.490 3.725 20 10 GHCDRP CC[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(C(F)(F)F)cc1O ZINC000810219880 888297004 /nfs/dbraw/zinc/29/70/04/888297004.db2.gz XGSBGYOIEMLGPB-KBXCAEBGSA-N 2 0 386.458 3.953 20 10 GHCDRP OC1CCN(c2ccc(C[NH2+]C[C@H]3CCCN(Cc4cccs4)C3)cc2)CC1 ZINC000876989154 893421364 /nfs/dbraw/zinc/42/13/64/893421364.db2.gz QBTVRRPASHMQEM-HXUWFJFHSA-N 2 0 399.604 3.711 20 10 GHCDRP CCN(C)c1ccc([C@H](C)[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)cc1 ZINC000126663030 893769441 /nfs/dbraw/zinc/76/94/41/893769441.db2.gz SDFRDNUIGHQYIZ-FQEVSTJZSA-N 2 0 380.580 3.741 20 10 GHCDRP CCCC[N@H+](C)CC1CC[NH+](Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000134161757 899704597 /nfs/dbraw/zinc/70/45/97/899704597.db2.gz BHZDPROHVIYUJV-UHFFFAOYSA-N 2 0 377.548 3.606 20 10 GHCDRP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000157860045 900861535 /nfs/dbraw/zinc/86/15/35/900861535.db2.gz DFVFBRUIHSDSET-MOPGFXCFSA-N 2 0 377.548 3.968 20 10 GHCDRP Oc1cc(O)c(C[NH+]2CCC3(CC[NH+](Cc4ccccc4)CC3)CC2)c(O)c1 ZINC001144515456 902319694 /nfs/dbraw/zinc/31/96/94/902319694.db2.gz PCMRKVUNMVQDGA-UHFFFAOYSA-N 2 0 382.504 3.682 20 10 GHCDRP C[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000179468125 906507269 /nfs/dbraw/zinc/50/72/69/906507269.db2.gz QAJQJRZJECWLLQ-GOSISDBHSA-N 2 0 398.526 3.625 20 10 GHCDRP C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000751146480 928049361 /nfs/dbraw/zinc/04/93/61/928049361.db2.gz HMKMMVSXFRPWFY-NZQKXSOJSA-N 2 0 379.548 3.666 20 10 GHCDRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000751150987 928051122 /nfs/dbraw/zinc/05/11/22/928051122.db2.gz DNGLGYBKBBBZME-KNQAVFIVSA-N 2 0 397.538 3.805 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3cnn(C4CCC4)c3)cc2F)CC1 ZINC000924996260 931606968 /nfs/dbraw/zinc/60/69/68/931606968.db2.gz RDYJEXAYLHVLTK-QGZVFWFLSA-N 2 0 385.531 3.740 20 10 GHCDRP COc1ccc(N2CC[NH+](CCCNc3cc(OC(C)C)cc[nH+]3)CC2)cc1 ZINC001156260528 1032947622 /nfs/dbraw/zinc/94/76/22/1032947622.db2.gz GGIQPANTXDCUAO-UHFFFAOYSA-N 2 0 384.524 3.502 20 10 GHCDRP Cc1ccc(C)c(C[NH+]2CCC3(C[C@@H]([N@H+](C)Cc4ccco4)CO3)CC2)c1O ZINC001140181190 1026954355 /nfs/dbraw/zinc/95/43/55/1026954355.db2.gz PKHYORKWUSCADS-LJQANCHMSA-N 2 0 384.520 3.858 20 10 GHCDRP COc1cc(C[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC001461235741 1069455529 /nfs/dbraw/zinc/45/55/29/1069455529.db2.gz ZGBPZNGKEDVHOL-IAGOWNOFSA-N 2 0 378.557 3.677 20 10 GHCDRP Oc1ccc(Br)cc1CN1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001203640127 1027500158 /nfs/dbraw/zinc/50/01/58/1027500158.db2.gz SPAJPEVKNQSJND-UHFFFAOYSA-N 2 0 379.342 3.995 20 10 GHCDRP Cc1ccc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)c(O)c1C ZINC000840889720 1027924391 /nfs/dbraw/zinc/92/43/91/1027924391.db2.gz VITUQUUBOFDYHJ-SFHVURJKSA-N 2 0 395.547 3.557 20 10 GHCDRP Brc1cc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)ccc1N1CCCCC1 ZINC000841078697 1028099054 /nfs/dbraw/zinc/09/90/54/1028099054.db2.gz IQLUWNXRDBIALG-GOSISDBHSA-N 2 0 378.358 3.671 20 10 GHCDRP Oc1cc(N2CC[NH2+]CC2)ccc1C[NH+]1CCC2(CCCc3ccccc32)CC1 ZINC001222614558 1030238327 /nfs/dbraw/zinc/23/83/27/1030238327.db2.gz GUDUTUOABLAMOC-UHFFFAOYSA-N 2 0 391.559 3.672 20 10 GHCDRP Oc1cc(O)c(C[NH+]2CCC3(CC[NH+](Cc4ccccc4)CC3)CC2)cc1O ZINC001233486295 1039380614 /nfs/dbraw/zinc/38/06/14/1039380614.db2.gz HJFWODQPXBCXNX-UHFFFAOYSA-N 2 0 382.504 3.682 20 10 GHCDRP CN1CCCc2cc(C[N@@H+]3CC[C@@]4(c5ccccc5)CC[NH2+]C[C@H]4C3)ccc21 ZINC001235360407 1040842861 /nfs/dbraw/zinc/84/28/61/1040842861.db2.gz BVMXBWXDECSMTA-UKILVPOCSA-N 2 0 375.560 3.822 20 10 GHCDRP CC(C)(C)c1ccc(C[N@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)c(O)c1 ZINC001235684692 1041154834 /nfs/dbraw/zinc/15/48/34/1041154834.db2.gz ZTOCWBJIUMZBMX-UHFFFAOYSA-N 2 0 382.552 3.540 20 10 GHCDRP Oc1cc(N2CC[NH2+]CC2)ccc1C[N@@H+]1CCC[C@@H]1c1ccc(Cl)s1 ZINC001235839729 1041369064 /nfs/dbraw/zinc/36/90/64/1041369064.db2.gz WHWLVRUBUIWSHB-MRXNPFEDSA-N 2 0 377.941 3.854 20 10 GHCDRP Fc1ccc2onc(C3CC[NH+](Cc4ccc(N5CC[NH2+]CC5)cc4)CC3)c2c1 ZINC001235865312 1041398646 /nfs/dbraw/zinc/39/86/46/1041398646.db2.gz BVFLFXPUTJXDBN-UHFFFAOYSA-N 2 0 394.494 3.756 20 10 GHCDRP Cc1ccccc1C[N@H+](Cc1ccc(N2CC[NH2+]CC2)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236557436 1041761254 /nfs/dbraw/zinc/76/12/54/1041761254.db2.gz MXRWKROQTOUZQJ-ALOJWSFFSA-N 3 0 392.591 3.677 20 10 GHCDRP CCc1ccc(C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3C(C)C)C2)c(O)c1 ZINC001236787634 1041893083 /nfs/dbraw/zinc/89/30/83/1041893083.db2.gz LOBDDKJXWZDFLD-FSSWDIPSSA-N 2 0 382.552 3.525 20 10 GHCDRP COc1ccc(C2CC[NH+](Cc3ccc(N4CC[NH+](C)CC4)cc3F)CC2)cc1 ZINC001236940426 1041965471 /nfs/dbraw/zinc/96/54/71/1041965471.db2.gz QUAKUXZNTIGGOU-UHFFFAOYSA-N 2 0 397.538 3.966 20 10 GHCDRP COC1(c2ccccc2)CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)CC1 ZINC001236942033 1041966079 /nfs/dbraw/zinc/96/60/79/1041966079.db2.gz ISNOCKYZMRCJGX-UHFFFAOYSA-N 2 0 397.538 3.715 20 10 GHCDRP COc1cc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c(O)c(OC)c1 ZINC001237677444 1042318431 /nfs/dbraw/zinc/31/84/31/1042318431.db2.gz NGYKUHMXXYGZAY-VQTJNVASSA-N 2 0 396.531 3.753 20 10 GHCDRP COc1ccc(C[NH2+][C@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c(O)c1OC ZINC001462654162 1070445470 /nfs/dbraw/zinc/44/54/70/1070445470.db2.gz NHAYLBPJVMMMOX-HKBOAZHASA-N 2 0 396.531 3.800 20 10 GHCDRP Cc1cc(-c2[nH+]ccc3c2ccn3Cc2ccccc2)cnc1N1CC[NH2+]CC1 ZINC001239724836 1042847028 /nfs/dbraw/zinc/84/70/28/1042847028.db2.gz YJQJEZHIUINCOA-UHFFFAOYSA-N 2 0 383.499 3.865 20 10 GHCDRP c1ccc(C[N@H+]2CCCC[C@H](C[NH2+]Cc3ccc(N4CCOCC4)cc3)C2)cc1 ZINC001308424520 1049973236 /nfs/dbraw/zinc/97/32/36/1049973236.db2.gz KUAMDZYLQPPGKW-XMMPIXPASA-N 2 0 393.575 3.915 20 10 GHCDRP Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC001323828486 1057020197 /nfs/dbraw/zinc/02/01/97/1057020197.db2.gz AAEXWFDEQATGKF-UIFIKXQLSA-N 2 0 380.532 3.995 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3ccc4c(c3)CCO4)cc2F)CC1 ZINC000177971539 837478921 /nfs/dbraw/zinc/47/89/21/837478921.db2.gz CDGYCCCLGMKHLA-KRWDZBQOSA-N 2 0 383.511 3.753 20 10 GHCDRP Oc1cccc(Br)c1C[NH+]1CCC2(C[NH+](C3CCCC3)C2)CC1 ZINC001279220521 839440269 /nfs/dbraw/zinc/44/02/69/839440269.db2.gz VLLOXFUSCNDLKA-UHFFFAOYSA-N 2 0 379.342 3.995 20 10 GHCDRP C[NH+]1CCN(c2ccc(CNc3ccc(SC4CC[NH2+]CC4)cc3)cc2)CC1 ZINC001167437394 840359424 /nfs/dbraw/zinc/35/94/24/840359424.db2.gz UJURWWKJVCRGPK-UHFFFAOYSA-N 2 0 396.604 3.895 20 10 GHCDRP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cc(Cl)c(C)cc3O)C2)ccn1 ZINC000856548301 881361770 /nfs/dbraw/zinc/36/17/70/881361770.db2.gz FCVCKKPDIALNOV-IBGZPJMESA-N 2 0 389.927 3.854 20 10 GHCDRP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000183196795 866335632 /nfs/dbraw/zinc/33/56/32/866335632.db2.gz IJGLISJFBDVWTK-CMKODMSKSA-N 2 0 389.559 3.966 20 10 GHCDRP COc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(N3CC[NH+](C)CC3)cc2)cc1OC ZINC000775648075 872272589 /nfs/dbraw/zinc/27/25/89/872272589.db2.gz PSJUZDUPQKXXRR-JOCHJYFZSA-N 2 0 395.547 3.793 20 10 GHCDRP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000775708768 873038954 /nfs/dbraw/zinc/03/89/54/873038954.db2.gz OJZAADAREQCZQB-XMMPIXPASA-N 2 0 378.564 3.539 20 10 GHCDRP O=[N+]([O-])c1cc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)ccc1N1CCCCC1 ZINC000850420559 876903679 /nfs/dbraw/zinc/90/36/79/876903679.db2.gz PGYPIJKFORTSID-UHFFFAOYSA-N 2 0 386.540 3.797 20 10 GHCDRP COc1ccc(N2CC[C@H]([NH2+][C@@H](C)c3ccc(OCC[NH+](C)C)cc3)C2)cc1 ZINC000850488810 876966579 /nfs/dbraw/zinc/96/65/79/876966579.db2.gz OVTRRKMCKWUKCY-ICSRJNTNSA-N 2 0 383.536 3.565 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCc4ccc(Cl)nc43)cc2F)CC1 ZINC000788592365 878192480 /nfs/dbraw/zinc/19/24/80/878192480.db2.gz BTTDVGJCODTFLO-GOSISDBHSA-N 2 0 388.918 3.793 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH+]3CCC(C(=O)c4ccc(F)cc4)CC3)cc2)CC1 ZINC000789761181 879240113 /nfs/dbraw/zinc/24/01/13/879240113.db2.gz CANGXXRDETZBJH-UHFFFAOYSA-N 2 0 395.522 3.672 20 10 GHCDRP CC[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccc(C(F)(F)F)cc1O ZINC000810229088 888304748 /nfs/dbraw/zinc/30/47/48/888304748.db2.gz RQAKRISFQBOXGV-QGZVFWFLSA-N 2 0 397.441 3.987 20 10 GHCDRP Oc1c(C[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)ccc2ccccc21 ZINC000816555882 894941250 /nfs/dbraw/zinc/94/12/50/894941250.db2.gz SIIJWBJURDTOAW-UHFFFAOYSA-N 2 0 376.500 3.792 20 10 GHCDRP C[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000817983826 895991591 /nfs/dbraw/zinc/99/15/91/895991591.db2.gz RJTQRLQDQDQLPY-KMFTYDHNSA-N 2 0 388.575 3.683 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H](C[C@H]3CCOC3)c3ccccc3)cc2)CC1 ZINC000883290598 897456687 /nfs/dbraw/zinc/45/66/87/897456687.db2.gz ZJQXHTFZFDDTDK-QPPBQGQZSA-N 2 0 379.548 3.696 20 10 GHCDRP C[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000778643773 897842041 /nfs/dbraw/zinc/84/20/41/897842041.db2.gz WIOJERSTNKTZSH-SIKLNZKXSA-N 2 0 397.538 3.663 20 10 GHCDRP COc1cccc(C[NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)c1O ZINC000176985463 906010066 /nfs/dbraw/zinc/01/00/66/906010066.db2.gz HTTXTXJNMNAULW-UHFFFAOYSA-N 2 0 384.520 3.562 20 10 GHCDRP CC[NH+](CC)CC[C@H](C)NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC001181653671 910904933 /nfs/dbraw/zinc/90/49/33/910904933.db2.gz ICAJNXPXQNFSDK-IBGZPJMESA-N 2 0 398.595 3.644 20 10 GHCDRP CC[C@H]([NH2+]Cc1ccc(N2CC[NH+](CC)CC2)nc1)c1cc(Cl)ccc1O ZINC000775488613 918264424 /nfs/dbraw/zinc/26/44/24/918264424.db2.gz PKECQWWFRROIRM-IBGZPJMESA-N 2 0 388.943 3.823 20 10 GHCDRP [NH3+]CCCC[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1F ZINC000902327080 922092102 /nfs/dbraw/zinc/09/21/02/922092102.db2.gz CZTRHFUBHNBEEM-QFIPXVFZSA-N 2 0 389.490 3.761 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3cnn(C4CCC4)c3)cc2F)CC1 ZINC000924996259 931606895 /nfs/dbraw/zinc/60/68/95/931606895.db2.gz RDYJEXAYLHVLTK-KRWDZBQOSA-N 2 0 385.531 3.740 20 10 GHCDRP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1ccnn1C1CCC1 ZINC000925678499 931874736 /nfs/dbraw/zinc/87/47/36/931874736.db2.gz VHIJMUYHORBOTC-LJQANCHMSA-N 2 0 393.579 3.991 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](c3cncc(F)c3)C3CC3)cc2F)CC1 ZINC000798928704 932820123 /nfs/dbraw/zinc/82/01/23/932820123.db2.gz CVFJNZPHIXZUKS-QFIPXVFZSA-N 2 0 386.490 3.743 20 10 GHCDRP CC[C@@H]([NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1ccc(F)cn1 ZINC000779151276 1020427644 /nfs/dbraw/zinc/42/76/44/1020427644.db2.gz WNRSRCPCNOSUGB-JOCHJYFZSA-N 2 0 382.527 3.994 20 10 GHCDRP C[N@H+](CCOc1cccc(C[NH2+][C@@H]2CCc3cccc(O)c32)c1)C1CCOCC1 ZINC000834562117 1021273249 /nfs/dbraw/zinc/27/32/49/1021273249.db2.gz CPTDJGSVGFQDJQ-JOCHJYFZSA-N 2 0 396.531 3.659 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@H]3COCc3ccccc3)cc2)CC1 ZINC001140304453 1021354951 /nfs/dbraw/zinc/35/49/51/1021354951.db2.gz QGWUBYRAODIPSG-DEOSSOPVSA-N 2 0 379.548 3.620 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3CCO[C@](C)(c4ccc(F)cc4)C3)cc2)CC1 ZINC001140306750 1021363086 /nfs/dbraw/zinc/36/30/86/1021363086.db2.gz WMEDNSOBZRBKKY-DEOSSOPVSA-N 2 0 397.538 3.715 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@H](Oc4cccc(C)n4)C3)cc2)CC1 ZINC001140309478 1021370671 /nfs/dbraw/zinc/37/06/71/1021370671.db2.gz HXCKQOMUVHQZNC-QHCPKHFHSA-N 2 0 394.563 3.575 20 10 GHCDRP C[N@H+](Cc1ccc(N2CC[NH2+]CC2)cc1O)Cc1ccc(Cl)cc1Cl ZINC001204870404 1033134820 /nfs/dbraw/zinc/13/48/20/1033134820.db2.gz SCAGVQZFZWUMSW-UHFFFAOYSA-N 2 0 380.319 3.741 20 10 GHCDRP COc1cc(CN(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc(C[NH+](C)C)c1O ZINC001139260651 1026109987 /nfs/dbraw/zinc/10/99/87/1026109987.db2.gz OFXYQFWBFJRUEG-JOCHJYFZSA-N 2 0 397.563 3.559 20 10 GHCDRP CC[C@H]1C[N@H+](Cc2ccccc2)CCN1Cc1cc(C[NH+](C)C)c(O)c(OC)c1 ZINC001139259226 1026110477 /nfs/dbraw/zinc/11/04/77/1026110477.db2.gz NMRLHTZAMCVSHU-QFIPXVFZSA-N 2 0 397.563 3.559 20 10 GHCDRP COc1ccc([C@@H]2CSCC[N@@H+]2Cc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC001139409920 1026282313 /nfs/dbraw/zinc/28/23/13/1026282313.db2.gz VJNCIJAORFEIED-QHCPKHFHSA-N 2 0 397.588 3.737 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CC4(CCOCC4)[C@@H]3c3ccccc3)cc2)CC1 ZINC000840962816 1027994365 /nfs/dbraw/zinc/99/43/65/1027994365.db2.gz JTGJOBGUMCLZFU-DEOSSOPVSA-N 2 0 391.559 3.792 20 10 GHCDRP C[C@H]([NH2+]Cc1ccc(N2CCCCC2)c(Br)c1)[C@@H]1CCC[NH2+]C1 ZINC000841034311 1028058478 /nfs/dbraw/zinc/05/84/78/1028058478.db2.gz XDEBNEISRPNVJB-DOTOQJQBSA-N 2 0 380.374 3.917 20 10 GHCDRP NC1(C[NH2+]Cc2ccc(N3CCCCC3)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000841102927 1028137075 /nfs/dbraw/zinc/13/70/75/1028137075.db2.gz COAMCFWZEJZDPN-UHFFFAOYSA-N 2 0 392.591 3.760 20 10 GHCDRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3ccc(OCc4ccccc4)cc3O)CC2)C1 ZINC000841103780 1028140240 /nfs/dbraw/zinc/14/02/40/1028140240.db2.gz JRRFHWLHABSPEO-ZJSXRUAMSA-N 2 0 396.531 3.690 20 10 GHCDRP [NH3+]CC1(c2ccccc2)CC[NH+](Cc2cc3c4c(c2O)CCCN4CCC3)CC1 ZINC001206749811 1033968029 /nfs/dbraw/zinc/96/80/29/1033968029.db2.gz OBLHQRVNFIPICV-UHFFFAOYSA-N 2 0 391.559 3.584 20 10 GHCDRP CCOC(=O)C(C)(C)CCC[C@@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001207325460 1034275018 /nfs/dbraw/zinc/27/50/18/1034275018.db2.gz GWFQCAIJLXXKNX-LJQANCHMSA-N 2 0 389.584 3.676 20 10 GHCDRP COc1cc(C[NH+]2CCC3(CC[C@H]3[N@H+](C)Cc3ccco3)CC2)c(O)cc1O ZINC001231632786 1034793707 /nfs/dbraw/zinc/79/37/07/1034793707.db2.gz DCIQQNWGULBLRN-OAQYLSRUSA-N 2 0 386.492 3.576 20 10 GHCDRP COc1cc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c(O)cc1O ZINC001231636105 1034794127 /nfs/dbraw/zinc/79/41/27/1034794127.db2.gz RCACILKCQUNXEL-UHFFFAOYSA-N 2 0 382.504 3.595 20 10 GHCDRP COc1cc(O)c(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)cc1Br ZINC001235241216 1040723521 /nfs/dbraw/zinc/72/35/21/1040723521.db2.gz NKSBBXQJZUCGRT-INIZCTEOSA-N 2 0 383.330 3.517 20 10 GHCDRP Oc1ccc2cc(Br)ccc2c1C[N@@H+]1CC[C@@]2(C1)C[NH2+]CC[C@H]2F ZINC001235405639 1040918018 /nfs/dbraw/zinc/91/80/18/1040918018.db2.gz OKISUEHXBOFIPC-MOPGFXCFSA-N 2 0 393.300 3.831 20 10 GHCDRP CCOC(=O)c1c(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c2ccccc2n1C ZINC001235427120 1040928518 /nfs/dbraw/zinc/92/85/18/1040928518.db2.gz MYJWHBRNGOSSPQ-QZTJIDSGSA-N 2 0 383.536 3.567 20 10 GHCDRP CC[C@@H]1CO[C@](C)(CCC(C)C)[N@@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001235964149 1041469565 /nfs/dbraw/zinc/46/95/65/1041469565.db2.gz ZXVHMNDEMSYRND-DENIHFKCSA-N 2 0 375.557 3.565 20 10 GHCDRP CC[C@@H]1CO[C@@](C)(CCC(C)C)[N@@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001235964150 1041469819 /nfs/dbraw/zinc/46/98/19/1041469819.db2.gz ZXVHMNDEMSYRND-KNQAVFIVSA-N 2 0 375.557 3.565 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH+]3CCC(c4ccc(O)cc4)CC3)c(F)c2)CC1 ZINC001236943573 1041966162 /nfs/dbraw/zinc/96/61/62/1041966162.db2.gz SWPNVCJGINCIJB-UHFFFAOYSA-N 2 0 383.511 3.663 20 10 GHCDRP Cc1ccc(C)n1-c1ccc(CN(C2CC[NH2+]CC2)C2CC[NH+](C)CC2)cc1 ZINC001237038880 1041999025 /nfs/dbraw/zinc/99/90/25/1041999025.db2.gz ZDRMFMTXEXFFLG-UHFFFAOYSA-N 2 0 380.580 3.742 20 10 GHCDRP C[NH+]1CCC(N(Cc2cc(Cl)c(C(C)(C)C)cc2O)C2CC[NH2+]CC2)CC1 ZINC001237038427 1041999064 /nfs/dbraw/zinc/99/90/64/1041999064.db2.gz FNBISBQTDNOLIQ-UHFFFAOYSA-N 2 0 394.003 3.991 20 10 GHCDRP Cc1ncsc1C[N@H+]1CC[C@H]2C[NH+](Cc3cc(F)ccc3O)C[C@H]2CC1 ZINC001279197069 1047740212 /nfs/dbraw/zinc/74/02/12/1047740212.db2.gz IMMWILHTOMRLOH-IYBDPMFKSA-N 2 0 375.513 3.640 20 10 GHCDRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001308201972 1049911076 /nfs/dbraw/zinc/91/10/76/1049911076.db2.gz ZJISZFMIKJZFQA-UHFFFAOYSA-N 3 0 380.580 3.568 20 10 GHCDRP Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]Cc1cccc(CN2CC[NH+](C)CC2)c1 ZINC001337785723 1058262137 /nfs/dbraw/zinc/26/21/37/1058262137.db2.gz QSLSVQAJFKVORK-RXVVDRJESA-N 2 0 379.548 3.786 20 10 GHCDRP C[C@H]1CC[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)CN1Cc1ccccc1 ZINC001474685625 1074514402 /nfs/dbraw/zinc/51/44/02/1074514402.db2.gz WLFDGXDKPDZNNH-URXFXBBRSA-N 2 0 392.591 3.581 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3sc(C)nc3C)cc2F)CC1 ZINC000177971831 837479031 /nfs/dbraw/zinc/47/90/31/837479031.db2.gz TUNHVMMZRUUCOI-AWEZNQCLSA-N 2 0 376.545 3.892 20 10 GHCDRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(N2CCCCC2)c(F)c1 ZINC000160675077 840378242 /nfs/dbraw/zinc/37/82/42/840378242.db2.gz VMMIQZPAAHXFEQ-AZUAARDMSA-N 2 0 377.548 3.704 20 10 GHCDRP FC(F)Oc1ccc(N2CCC([NH2+]C3CC[NH+](CC4CC4)CC3)CC2)cc1 ZINC000157716575 857216296 /nfs/dbraw/zinc/21/62/96/857216296.db2.gz KNBWJJFRDOERKL-UHFFFAOYSA-N 2 0 379.495 3.721 20 10 GHCDRP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](C/C=C\c3ccc(N(C)C)cc3)C2)ccn1 ZINC000856550095 881363745 /nfs/dbraw/zinc/36/37/45/881363745.db2.gz WWSRGDBEZNRLOF-POUSAUBHSA-N 2 0 394.563 3.766 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+]CC3=Cc4ccccc4OC3)cc2F)CC1 ZINC000730108041 860866627 /nfs/dbraw/zinc/86/66/27/860866627.db2.gz CNKZPAJUWUIDHI-UHFFFAOYSA-N 2 0 381.495 3.533 20 10 GHCDRP C[N@H+](Cc1ccc(Br)s1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775647515 872296383 /nfs/dbraw/zinc/29/63/83/872296383.db2.gz WSZNPIXNVUDJRI-UHFFFAOYSA-N 2 0 394.382 3.894 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCCC[C@H]3[C@@H](O)c3ccccc3)cc2)CC1 ZINC000775669242 872586480 /nfs/dbraw/zinc/58/64/80/872586480.db2.gz ICCBRYDCXRYGKO-ZEQRLZLVSA-N 2 0 379.548 3.527 20 10 GHCDRP OC1CCN(c2ccc(C[NH2+]C3CC[NH+](CC4CCCCC4)CC3)cc2)CC1 ZINC000850566809 877032822 /nfs/dbraw/zinc/03/28/22/877032822.db2.gz SWMXBPWSTOTUEK-UHFFFAOYSA-N 2 0 385.596 3.782 20 10 GHCDRP CCC[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)Cc1ccccc1O ZINC000068973637 879332708 /nfs/dbraw/zinc/33/27/08/879332708.db2.gz RFOQKXMTKQWNNM-UHFFFAOYSA-N 2 0 395.547 3.516 20 10 GHCDRP C[NH+](C)C1CCC([NH+]2CCN(c3ccc(OCc4cccnc4)cc3)CC2)CC1 ZINC001168333737 881240085 /nfs/dbraw/zinc/24/00/85/881240085.db2.gz CRROWTOJWBIVSF-UHFFFAOYSA-N 2 0 394.563 3.655 20 10 GHCDRP COc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)c(C)c1OC ZINC000808431591 886380134 /nfs/dbraw/zinc/38/01/34/886380134.db2.gz JGDHMPLCSPQJKE-GOSISDBHSA-N 2 0 383.536 3.615 20 10 GHCDRP C[C@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1cc2c(cc1O)CCCC2 ZINC000808719148 886702467 /nfs/dbraw/zinc/70/24/67/886702467.db2.gz DEHFNUSJGCCOPI-KRWDZBQOSA-N 2 0 383.536 3.847 20 10 GHCDRP CN(C)c1ccc(CN2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c(C(F)(F)F)c1 ZINC000863646210 887259382 /nfs/dbraw/zinc/25/93/82/887259382.db2.gz QRAUWTLZPNPMLS-OCCSQVGLSA-N 2 0 383.380 3.731 20 10 GHCDRP CC(C)[C@H](C[NH2+][C@H](CCc1ccccc1)c1ccccc1O)N1CC[NH+](C)CC1 ZINC000815558043 893997261 /nfs/dbraw/zinc/99/72/61/893997261.db2.gz OCHHMNIIHPVYCB-RPWUZVMVSA-N 2 0 395.591 3.928 20 10 GHCDRP COCCC[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1ccc(F)cc1 ZINC000883290511 897456504 /nfs/dbraw/zinc/45/65/04/897456504.db2.gz WUQUXUJFPNNTJJ-HSZRJFAPSA-N 2 0 385.527 3.835 20 10 GHCDRP COCCC[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1ccc(F)cc1 ZINC000883290512 897456645 /nfs/dbraw/zinc/45/66/45/897456645.db2.gz WUQUXUJFPNNTJJ-QHCPKHFHSA-N 2 0 385.527 3.835 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3ccc4c(c3)OCO4)cc2F)CC1 ZINC000155317079 898608231 /nfs/dbraw/zinc/60/82/31/898608231.db2.gz CWDITURPRJYRPW-MRXNPFEDSA-N 2 0 385.483 3.547 20 10 GHCDRP COc1cccc([C@@H](C)[NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)c1O ZINC000846160127 902731033 /nfs/dbraw/zinc/73/10/33/902731033.db2.gz SPWQFIXGJNTYJN-GOSISDBHSA-N 2 0 395.547 3.784 20 10 GHCDRP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000773143675 904483541 /nfs/dbraw/zinc/48/35/41/904483541.db2.gz CBLPFKSUEFHDCA-GOSISDBHSA-N 2 0 394.519 3.978 20 10 GHCDRP C[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccc2ccccc2c1O ZINC000185165935 907724576 /nfs/dbraw/zinc/72/45/76/907724576.db2.gz SEQMDMLFDRFHIB-KRWDZBQOSA-N 2 0 376.504 3.543 20 10 GHCDRP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cc(Br)ccc1O ZINC000186126595 907881938 /nfs/dbraw/zinc/88/19/38/907881938.db2.gz DRZKUNTWEBINEQ-IXDGSTSKSA-N 2 0 397.357 3.573 20 10 GHCDRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cc2c(cc1O)CCCC2 ZINC000186520269 907937603 /nfs/dbraw/zinc/93/76/03/907937603.db2.gz QIRNFAMHNOERCU-VGSWGCGISA-N 2 0 380.532 3.688 20 10 GHCDRP CN(C)c1ccc(/C=C/C[NH2+]CCC2(O)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001179458513 909536900 /nfs/dbraw/zinc/53/69/00/909536900.db2.gz UYJGFSGDAZQGRN-RMKNXTFCSA-N 2 0 393.575 3.773 20 10 GHCDRP COc1cc(Cl)cc(C[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)c1O ZINC000285064995 912144045 /nfs/dbraw/zinc/14/40/45/912144045.db2.gz LRZXWSGXTVJCBL-UHFFFAOYSA-N 2 0 390.911 3.817 20 10 GHCDRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000749287497 927036161 /nfs/dbraw/zinc/03/61/61/927036161.db2.gz OHRXMODTVYVHAY-RDPSFJRHSA-N 2 0 379.548 3.523 20 10 GHCDRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)[C@H]2CCC[C@@H]21 ZINC000796692157 932031838 /nfs/dbraw/zinc/03/18/38/932031838.db2.gz AFAMJEIQVVHFNB-HOJAQTOUSA-N 2 0 397.485 3.504 20 10 GHCDRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)[C@@H]2CCC[C@H]21 ZINC000796774128 932062153 /nfs/dbraw/zinc/06/21/53/932062153.db2.gz DCTJVPGTICPYDS-XFWGSAIBSA-N 2 0 379.495 3.719 20 10 GHCDRP Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC001116565510 933637040 /nfs/dbraw/zinc/63/70/40/933637040.db2.gz RZIUWSZTHKDUPD-UTKZUKDTSA-N 2 0 380.532 3.995 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3C[C@@H](C)c4c3c(O)ccc4C)cn2)CC1 ZINC001116584149 933646396 /nfs/dbraw/zinc/64/63/96/933646396.db2.gz ARBWARZLEUGXED-IEBWSBKVSA-N 2 0 380.536 3.576 20 10 GHCDRP CCN(C)c1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)cc1 ZINC000248447238 1021092267 /nfs/dbraw/zinc/09/22/67/1021092267.db2.gz NKKXNBMIMQHOAM-CYFREDJKSA-N 2 0 381.564 3.950 20 10 GHCDRP COc1cc(O)c(C[NH+]2CCC3(C[NH+](Cc4ccccc4)C3)CC2)c(OC)c1 ZINC001141029595 1023281589 /nfs/dbraw/zinc/28/15/89/1023281589.db2.gz XJFRXSKOPCPISK-UHFFFAOYSA-N 2 0 382.504 3.507 20 10 GHCDRP CN1CCOc2cc(C[N@H+](C)CC3CC[NH+](Cc4ccccc4)CC3)ccc21 ZINC001141143822 1023580034 /nfs/dbraw/zinc/58/00/34/1023580034.db2.gz LMPKTFCNMDGFLN-UHFFFAOYSA-N 2 0 379.548 3.859 20 10 GHCDRP [NH3+]CCN(c1cccc2ccccc21)c1ncnc2sc3c(c21)CC[NH2+]C3 ZINC001162005143 1025533216 /nfs/dbraw/zinc/53/32/16/1025533216.db2.gz WXBWSHMETJWXBX-UHFFFAOYSA-N 2 0 375.501 3.587 20 10 GHCDRP COc1ccc([C@H]2CSCC[N@@H+]2Cc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC001139409919 1026281397 /nfs/dbraw/zinc/28/13/97/1026281397.db2.gz VJNCIJAORFEIED-HSZRJFAPSA-N 2 0 397.588 3.737 20 10 GHCDRP C[C@H]1C[C@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)c2c1c(F)ccc2O ZINC000840883987 1027921289 /nfs/dbraw/zinc/92/12/89/1027921289.db2.gz IHDRPFCOVZQOIL-LPHOPBHVSA-N 2 0 384.495 3.696 20 10 GHCDRP CN(C)c1ccc(/C=C\C[N@H+](C)CCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001205741065 1033555317 /nfs/dbraw/zinc/55/53/17/1033555317.db2.gz RKURAQSDJMKEET-YFHOEESVSA-N 2 0 392.591 3.515 20 10 GHCDRP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1c(O)ccc3ccccc31)C2 ZINC001231588025 1034741952 /nfs/dbraw/zinc/74/19/52/1034741952.db2.gz RDJJLBJHPYFXGH-RDPSFJRHSA-N 2 0 380.532 3.726 20 10 GHCDRP COc1cc(C[NH+]2CCC3(CC[N@H+](Cc4cccs4)C3)CC2)c(O)cc1O ZINC001231634664 1034792562 /nfs/dbraw/zinc/79/25/62/1034792562.db2.gz NKXNYPLDVNLSIX-UHFFFAOYSA-N 2 0 388.533 3.656 20 10 GHCDRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC001461919990 1069884766 /nfs/dbraw/zinc/88/47/66/1069884766.db2.gz PMGVPYLKDRNQKS-GOSISDBHSA-N 2 0 378.557 3.631 20 10 GHCDRP C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208935175 1035101076 /nfs/dbraw/zinc/10/10/76/1035101076.db2.gz IRLJKCXNQUSMQI-XMMPIXPASA-N 2 0 393.575 3.867 20 10 GHCDRP FC(F)(F)Oc1ccc(N2CC[NH+]([C@@H]3CCC[C@]4(CC[NH2+]C4)C3)CC2)cc1 ZINC001246995744 1037819774 /nfs/dbraw/zinc/81/97/74/1037819774.db2.gz MJNHMVMUAHFSDU-MJGOQNOKSA-N 2 0 383.458 3.630 20 10 GHCDRP C[N@@H+]1CC[C@@H]2C[NH+](Cc3c(O)ccc4cc(Br)ccc43)C[C@@H]2C1 ZINC001233197359 1038963389 /nfs/dbraw/zinc/96/33/89/1038963389.db2.gz ZCACGQXVHXXVFR-CABCVRRESA-N 2 0 375.310 3.691 20 10 GHCDRP CCOC(=O)c1c(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)c2ccccc2n1C ZINC001235240398 1040721828 /nfs/dbraw/zinc/72/18/28/1040721828.db2.gz MQPHMXZDFIVABT-FQEVSTJZSA-N 2 0 383.536 3.709 20 10 GHCDRP Oc1c(C[N@@H+]2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)cccc1OC(F)(F)F ZINC001235354320 1040832240 /nfs/dbraw/zinc/83/22/40/1040832240.db2.gz DGYOJBXYSJANQY-YLJYHZDGSA-N 2 0 392.421 3.870 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[N@H+](C[C@H]3CCC[NH2+]C3)C3CCCC3)cc2)CC1 ZINC001236375979 1041687192 /nfs/dbraw/zinc/68/71/92/1041687192.db2.gz NXYIFZHUBUUAIN-QFIPXVFZSA-N 3 0 384.612 3.573 20 10 GHCDRP Fc1cccc2c1CC[C@@]21CCC[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001237189581 1042085238 /nfs/dbraw/zinc/08/52/38/1042085238.db2.gz XILXLXGGENVVGX-XMMPIXPASA-N 2 0 379.523 3.715 20 10 GHCDRP Clc1ccc2c(c1)[C@H]1C[N@@H+](Cc3ccc(N4CC[NH2+]CC4)cc3)CC[C@H]1N2 ZINC001237251094 1042108026 /nfs/dbraw/zinc/10/80/26/1042108026.db2.gz VPCXVLACWQYDNX-IFMALSPDSA-N 2 0 382.939 3.533 20 10 GHCDRP Oc1ccc(F)c(Cl)c1C[N@H+]1C[C@@H]2CC[NH+](Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001279684258 1047913693 /nfs/dbraw/zinc/91/36/93/1047913693.db2.gz OCEJTLFAPXDLES-GASCZTMLSA-N 2 0 377.891 3.857 20 10 GHCDRP Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC001327857043 1050300325 /nfs/dbraw/zinc/30/03/25/1050300325.db2.gz XEYCFWPHYDVAKM-ICSRJNTNSA-N 2 0 379.548 3.832 20 10 GHCDRP Cc1cccc(N2CC[NH+](CCCC[NH2+]Cc3ccc(N(C)C)c(F)c3)CC2)c1 ZINC001473929131 1074208186 /nfs/dbraw/zinc/20/81/86/1074208186.db2.gz UHFDCYORUHIWIV-UHFFFAOYSA-N 2 0 398.570 3.892 20 10 GHCDRP COc1ccc(C[NH2+]Cc2cccc(OCC[N@H+](C)C3CCOCC3)c2)cc1C ZINC000237264097 843923902 /nfs/dbraw/zinc/92/39/02/843923902.db2.gz IKHSWWZKRDOEEV-UHFFFAOYSA-N 2 0 398.547 3.783 20 10 GHCDRP COc1ccc(O)c([C@@H](C)[NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000186228201 854767580 /nfs/dbraw/zinc/76/75/80/854767580.db2.gz RMJSEUFBJIGDTI-GOSISDBHSA-N 2 0 384.520 3.769 20 10 GHCDRP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](C/C=C\c3ccc(N(C)C)cc3)C2)ccn1 ZINC000856550096 881364874 /nfs/dbraw/zinc/36/48/74/881364874.db2.gz WWSRGDBEZNRLOF-WNWNSBFKSA-N 2 0 394.563 3.766 20 10 GHCDRP CCOCc1cc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)ccc1OC ZINC000904471438 860464393 /nfs/dbraw/zinc/46/43/93/860464393.db2.gz BCKUSUYOBVBNCM-NFBKMPQASA-N 2 0 382.504 3.577 20 10 GHCDRP Oc1ccc(Br)cc1C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000904475743 860467989 /nfs/dbraw/zinc/46/79/89/860467989.db2.gz QNXADSFOQDICOF-VQIMIIECSA-N 2 0 389.293 3.500 20 10 GHCDRP CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)C1 ZINC000444258469 863775501 /nfs/dbraw/zinc/77/55/01/863775501.db2.gz HTIKXAXSWYZLCL-SFHVURJKSA-N 2 0 398.595 3.500 20 10 GHCDRP CN(C)c1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c(C(F)(F)F)c1 ZINC000793010660 881874124 /nfs/dbraw/zinc/87/41/24/881874124.db2.gz PPMCYQRIYHIDLE-UXHICEINSA-N 2 0 399.501 3.629 20 10 GHCDRP COC(=O)c1cc2ccccc2c(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1O ZINC000742172699 867100187 /nfs/dbraw/zinc/10/01/87/867100187.db2.gz UVWDSRWQPWGRGB-KRWDZBQOSA-N 2 0 382.504 3.640 20 10 GHCDRP COc1ccc(O)c([C@H](C)[NH2+]C/C=C/C[NH2+][C@@H](C)c2cc(OC)ccc2O)c1 ZINC000182441509 872345749 /nfs/dbraw/zinc/34/57/49/872345749.db2.gz GTOXGDHWTMUTLG-DKLOGILVSA-N 2 0 386.492 3.673 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@H]3c3cccc4c3OCCO4)cc2)CC1 ZINC000775674453 872702071 /nfs/dbraw/zinc/70/20/71/872702071.db2.gz CBNILWFEJBITKK-JOCHJYFZSA-N 2 0 393.531 3.547 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@H]3C[C@@H](O)c3cccs3)cc2)CC1 ZINC000775736867 873289253 /nfs/dbraw/zinc/28/92/53/873289253.db2.gz YOPOLBCTLHHCLY-LEWJYISDSA-N 2 0 385.577 3.588 20 10 GHCDRP COc1cc(C[NH2+]Cc2cccc(OCC[NH+](C)C)c2)c(O)c(C(C)(C)C)c1 ZINC000850034945 876618971 /nfs/dbraw/zinc/61/89/71/876618971.db2.gz OCKWVBMSZUIHMB-UHFFFAOYSA-N 2 0 386.536 3.929 20 10 GHCDRP COc1ccc([C@@H](C)[C@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)cc1OC ZINC001183525866 912584918 /nfs/dbraw/zinc/58/49/18/912584918.db2.gz ISNZREVPVJZYDL-OALUTQOASA-N 2 0 397.563 3.737 20 10 GHCDRP CN(C)c1ccc(CN2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c(C(F)(F)F)c1 ZINC000863646203 887259459 /nfs/dbraw/zinc/25/94/59/887259459.db2.gz QRAUWTLZPNPMLS-GXTWGEPZSA-N 2 0 383.380 3.731 20 10 GHCDRP CCCN(CCC)c1ccc(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)cc1 ZINC000809736708 887718076 /nfs/dbraw/zinc/71/80/76/887718076.db2.gz GSKBHZFSDWLZKE-UHFFFAOYSA-N 2 0 386.628 3.772 20 10 GHCDRP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccc(C(F)(F)F)cc1O ZINC000810228174 888303014 /nfs/dbraw/zinc/30/30/14/888303014.db2.gz QVUHVMLZOPLHGU-KSZLIROESA-N 2 0 386.458 3.830 20 10 GHCDRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2ccc(N3CCCCC3)c(F)c2)CC1 ZINC000121137053 888962235 /nfs/dbraw/zinc/96/22/35/888962235.db2.gz QODGTYYGEVZFEN-VQTJNVASSA-N 2 0 390.591 3.740 20 10 GHCDRP COc1cc(O)c(C[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)cc1OC ZINC000811517971 889671132 /nfs/dbraw/zinc/67/11/32/889671132.db2.gz FSRQFCKPELMCNE-LJQANCHMSA-N 2 0 384.520 3.801 20 10 GHCDRP FC(F)(F)c1cc(N2CCOCC2)ccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000817888210 895930966 /nfs/dbraw/zinc/93/09/66/895930966.db2.gz JVSLNOVQHXIUTM-DFQSSKMNSA-N 2 0 397.485 3.552 20 10 GHCDRP FC(F)Oc1ccc(N2CCC[C@H]([NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000817897924 895954326 /nfs/dbraw/zinc/95/43/26/895954326.db2.gz AUFYLCLEDJQFDU-KCUHQSDYSA-N 2 0 379.495 3.767 20 10 GHCDRP C[C@H]1C[C@H]([NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)c2c1c(F)ccc2O ZINC000817984768 895992771 /nfs/dbraw/zinc/99/27/71/895992771.db2.gz ZMRUMZHMGGEPGE-LPHOPBHVSA-N 2 0 383.511 3.663 20 10 GHCDRP COc1ccc(N2CC[C@@H](C[NH2+][C@@H](C)c3cccc(OCC[NH+](C)C)c3)C2)cc1 ZINC000818345308 896122869 /nfs/dbraw/zinc/12/28/69/896122869.db2.gz UATCHXXSYKQQBD-PMACEKPBSA-N 2 0 397.563 3.813 20 10 GHCDRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796295867 914203604 /nfs/dbraw/zinc/20/36/04/914203604.db2.gz CBTXKDGYDBPVEX-XMMPIXPASA-N 2 0 393.575 3.576 20 10 GHCDRP CCN(C)c1ccc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)cc1 ZINC000132637607 903287793 /nfs/dbraw/zinc/28/77/93/903287793.db2.gz AGUNJLAZICENQX-LJQANCHMSA-N 2 0 381.564 3.950 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH+]3CCC4(CC3)OCCc3ccsc34)cc2)CC1 ZINC000779162529 904969292 /nfs/dbraw/zinc/96/92/92/904969292.db2.gz MBRMGSPWLDGBHC-UHFFFAOYSA-N 2 0 397.588 3.564 20 10 GHCDRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)C1 ZINC000090586688 910411680 /nfs/dbraw/zinc/41/16/80/910411680.db2.gz RZRZSEYQSXTDRO-OALUTQOASA-N 2 0 377.548 3.681 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@]3(Cc4ccc(Cl)cc4)CCOC3)cc2)CC1 ZINC000800310822 919886610 /nfs/dbraw/zinc/88/66/10/919886610.db2.gz FMJGQDYRJREIDQ-HSZRJFAPSA-N 2 0 399.966 3.583 20 10 GHCDRP C[NH+]1CCC(N2CCC([NH2+]Cc3cc(-c4ccccc4)ccc3O)CC2)CC1 ZINC000725850145 926467392 /nfs/dbraw/zinc/46/73/92/926467392.db2.gz NPWIFBQJLSNONN-UHFFFAOYSA-N 2 0 379.548 3.707 20 10 GHCDRP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1cnn(C2CCC2)c1 ZINC000925675946 931872470 /nfs/dbraw/zinc/87/24/70/931872470.db2.gz IHWFPJAALATRCU-IBGZPJMESA-N 2 0 393.579 3.991 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3C[C@H](C)c4c3c(O)ccc4C)cn2)CC1 ZINC001116584147 933646576 /nfs/dbraw/zinc/64/65/76/933646576.db2.gz ARBWARZLEUGXED-HKUYNNGSSA-N 2 0 380.536 3.576 20 10 GHCDRP COc1cc(Br)cc(C[N@H+](C)CC2CC[NH+](C(C)C)CC2)c1O ZINC001204339011 1032780846 /nfs/dbraw/zinc/78/08/46/1032780846.db2.gz QMLUSFYXDHIGPX-UHFFFAOYSA-N 2 0 385.346 3.716 20 10 GHCDRP COc1cc(O)c(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c(OC)c1 ZINC001141032996 1023301577 /nfs/dbraw/zinc/30/15/77/1023301577.db2.gz WKYYOIXPWQUEIT-VQTJNVASSA-N 2 0 396.531 3.753 20 10 GHCDRP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)c2c1c(F)ccc2O ZINC000756551880 1023710458 /nfs/dbraw/zinc/71/04/58/1023710458.db2.gz YMFQPTXTWWYISY-MGPUTAFESA-N 2 0 384.495 3.826 20 10 GHCDRP CN1CCCc2cc(C[NH+]3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)ccc21 ZINC001138356204 1024720967 /nfs/dbraw/zinc/72/09/67/1024720967.db2.gz FDJQFYZPWOVSFJ-UHFFFAOYSA-N 2 0 390.575 3.952 20 10 GHCDRP c1ccc(C[NH+]2CC3(C2)CC[NH+](Cc2ccc(N4CCOCC4)cc2)CC3)cc1 ZINC001138499236 1024931929 /nfs/dbraw/zinc/93/19/29/1024931929.db2.gz FYSMKCBNDCHONY-UHFFFAOYSA-N 2 0 391.559 3.621 20 10 GHCDRP COc1cc(CN2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)cc(C[NH+](C)C)c1O ZINC001139252856 1026102674 /nfs/dbraw/zinc/10/26/74/1026102674.db2.gz BTDLVPYWTMSTSA-MOPGFXCFSA-N 2 0 397.563 3.557 20 10 GHCDRP CCN(Cc1cc(C[NH+](C)C)c(O)c(OC)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001139258517 1026110050 /nfs/dbraw/zinc/11/00/50/1026110050.db2.gz QFZZELJIDYLVAF-JOCHJYFZSA-N 2 0 397.563 3.559 20 10 GHCDRP COc1ccc(N2CC[NH+](CCCNc3ccc([C@H]4CCC[NH2+]4)cc3)CC2)cc1 ZINC001164334143 1026489194 /nfs/dbraw/zinc/48/91/94/1026489194.db2.gz ORFSLIXFBZSIMM-XMMPIXPASA-N 2 0 394.563 3.744 20 10 GHCDRP COc1ccc(N2CC[NH+](CCCNc3ccc([C@@H]4CCC[NH2+]4)cc3)CC2)cc1 ZINC001164334142 1026489572 /nfs/dbraw/zinc/48/95/72/1026489572.db2.gz ORFSLIXFBZSIMM-DEOSSOPVSA-N 2 0 394.563 3.744 20 10 GHCDRP CN(C)c1cc[nH+]c(N2CC3(CC[NH2+]CC3)c3c2cccc3-c2cccnc2)c1 ZINC001166129176 1026925145 /nfs/dbraw/zinc/92/51/45/1026925145.db2.gz OFWASMAMZFEUHG-UHFFFAOYSA-N 2 0 385.515 3.983 20 10 GHCDRP CCN(CC)c1ccc(C[N@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)cc1 ZINC001203939664 1027733545 /nfs/dbraw/zinc/73/35/45/1027733545.db2.gz QKTXNWAPELTKNE-UHFFFAOYSA-N 2 0 395.595 3.774 20 10 GHCDRP Oc1c(C[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)ccc2ccccc21 ZINC000840970208 1028004641 /nfs/dbraw/zinc/00/46/41/1028004641.db2.gz RHEUNYSKZJYFCY-UHFFFAOYSA-N 2 0 376.500 3.662 20 10 GHCDRP c1ccc(COc2ccc(N3CC[NH+](C4CCC5(C[NH2+]C5)CC4)CC3)cc2)cc1 ZINC001247003093 1037825768 /nfs/dbraw/zinc/82/57/68/1037825768.db2.gz NGTRMABBRWPACB-UHFFFAOYSA-N 2 0 391.559 3.920 20 10 GHCDRP C[NH+]1CC2(C1)CC[NH+](Cc1c(O)ccc3cc(Br)ccc31)CC2 ZINC001233194998 1038961631 /nfs/dbraw/zinc/96/16/31/1038961631.db2.gz ALAXRCCCSFLNDA-UHFFFAOYSA-N 2 0 375.310 3.836 20 10 GHCDRP Oc1cccc(Br)c1C[NH+]1CCC2(CC1)C[NH2+]Cc1ccccc12 ZINC001235095630 1040585790 /nfs/dbraw/zinc/58/57/90/1040585790.db2.gz WRGASSYFKAFGCT-UHFFFAOYSA-N 2 0 387.321 3.792 20 10 GHCDRP CC(C)(C)c1ccc(O)c(C[N@@H+]2CCCn3cnc(C[NH2+]C4CCC4)c3C2)c1 ZINC001235558105 1040986436 /nfs/dbraw/zinc/98/64/36/1040986436.db2.gz FWWLBRYOOVQIQT-UHFFFAOYSA-N 2 0 382.552 3.934 20 10 GHCDRP COc1cc(C[N@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)c(O)cc1Br ZINC001236375243 1041687743 /nfs/dbraw/zinc/68/77/43/1041687743.db2.gz JSASWLJYOROKRW-AWEZNQCLSA-N 2 0 397.357 3.908 20 10 GHCDRP Clc1ccc(CN(Cc2ccc(N3CC[NH2+]CC3)cc2)C2CC[NH2+]CC2)cc1 ZINC001236454404 1041719618 /nfs/dbraw/zinc/71/96/18/1041719618.db2.gz HVTCZFZTWICOTG-UHFFFAOYSA-N 2 0 398.982 3.504 20 10 GHCDRP Oc1cc(N2CC[NH2+]CC2)ccc1C[N@@H+]1CCC[C@H](CCc2ccccc2)C1 ZINC001236951712 1041968583 /nfs/dbraw/zinc/96/85/83/1041968583.db2.gz ZXCIYNWPNFDXRK-OAQYLSRUSA-N 2 0 379.548 3.647 20 10 GHCDRP C[N@H+](Cc1ccc(N2CC[NH2+]CC2)cc1)Cc1cccc(OC(F)(F)F)c1 ZINC001237044437 1042003773 /nfs/dbraw/zinc/00/37/73/1042003773.db2.gz WGGXURXQMDWIPJ-UHFFFAOYSA-N 2 0 379.426 3.627 20 10 GHCDRP CC(C)(C)[NH+]1CCC(N[C@H](c2ccccc2O)[C@H]([NH3+])c2ccccc2O)CC1 ZINC001256563688 1043538084 /nfs/dbraw/zinc/53/80/84/1043538084.db2.gz FGNUGLJNQHKUBQ-FGZHOGPDSA-N 2 0 383.536 3.691 20 10 GHCDRP COc1ccc(N2CCC([NH2+]CC3(c4ccccc4)CC[NH+](C)CC3)CC2)cc1 ZINC001308492076 1049989097 /nfs/dbraw/zinc/98/90/97/1049989097.db2.gz BSECCMGUSZTMSA-UHFFFAOYSA-N 2 0 393.575 3.917 20 10 GHCDRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001323792860 1057013868 /nfs/dbraw/zinc/01/38/68/1057013868.db2.gz FQNAZTIRXBKFBV-UHFFFAOYSA-N 2 0 398.570 3.661 20 10 GHCDRP CC[N@@H+](Cc1cc(OC)c(OC)cc1O)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000160326695 838293844 /nfs/dbraw/zinc/29/38/44/838293844.db2.gz NDAUVPDJSVKLKC-IBGZPJMESA-N 2 0 384.520 3.753 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3ccc(OC)cc3F)cc2F)CC1 ZINC000765850849 855659466 /nfs/dbraw/zinc/65/94/66/855659466.db2.gz BWLCJPAVYZAPLN-INIZCTEOSA-N 2 0 389.490 3.966 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+]C3CCN(c4ccccc4)CC3)cc2F)CC1 ZINC000765852606 855663516 /nfs/dbraw/zinc/66/35/16/855663516.db2.gz NVTRNPBFIAVONY-UHFFFAOYSA-N 2 0 396.554 3.726 20 10 GHCDRP C[C@H](C[NH2+]Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O)CN1CC[NH+](C)CC1 ZINC000237531470 857995061 /nfs/dbraw/zinc/99/50/61/857995061.db2.gz YBBSZEATCKUEOI-GOSISDBHSA-N 2 0 389.628 3.960 20 10 GHCDRP Oc1ccc(Br)cc1C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000904475740 860467767 /nfs/dbraw/zinc/46/77/67/860467767.db2.gz QNXADSFOQDICOF-APWZRJJASA-N 2 0 389.293 3.500 20 10 GHCDRP CCC[N@H+](CC(=O)Nc1ccccc1C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775642803 872221237 /nfs/dbraw/zinc/22/12/37/872221237.db2.gz OFVTUUNFVORXHL-UHFFFAOYSA-N 2 0 394.563 3.598 20 10 GHCDRP CCC[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000775668138 872567717 /nfs/dbraw/zinc/56/77/17/872567717.db2.gz RQOLCRMZROIWMM-FQEVSTJZSA-N 2 0 394.563 3.678 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@H]3c3ccc4c(c3)OCO4)cc2)CC1 ZINC000775675891 872774105 /nfs/dbraw/zinc/77/41/05/872774105.db2.gz DXKAAMBFCSIYLU-NRFANRHFSA-N 2 0 379.504 3.504 20 10 GHCDRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000769541481 874099954 /nfs/dbraw/zinc/09/99/54/874099954.db2.gz BWNCGNUYWNFZJZ-OAQYLSRUSA-N 2 0 385.596 4.000 20 10 GHCDRP CN(C)c1cc(F)c(C[NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)cc1F ZINC000858124033 882864411 /nfs/dbraw/zinc/86/44/11/882864411.db2.gz MXPJOCWTQOXZGO-UHFFFAOYSA-N 2 0 377.479 3.651 20 10 GHCDRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000105464687 875300705 /nfs/dbraw/zinc/30/07/05/875300705.db2.gz LHKNPSCPDWGXIA-QGZVFWFLSA-N 2 0 383.511 3.753 20 10 GHCDRP COc1ccccc1SC[C@H](C)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000771831725 875477333 /nfs/dbraw/zinc/47/73/33/875477333.db2.gz FIVSGXPAZVJOKY-LJQANCHMSA-N 2 0 399.604 3.965 20 10 GHCDRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850566390 877033002 /nfs/dbraw/zinc/03/30/02/877033002.db2.gz NAXMBOBLOKCZIK-NLFFAJNJSA-N 2 0 393.575 3.648 20 10 GHCDRP C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000850567476 877035042 /nfs/dbraw/zinc/03/50/42/877035042.db2.gz CXBIABSSHDDDAL-NZQKXSOJSA-N 2 0 393.575 3.648 20 10 GHCDRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1cc2oc3ccccc3c2cc1O ZINC000746647358 877199309 /nfs/dbraw/zinc/19/93/09/877199309.db2.gz IILLTRYEJOFPNA-BVZALQNUSA-N 2 0 380.488 3.975 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCCc4c(O)cccc43)cc2F)CC1 ZINC000788594961 878192639 /nfs/dbraw/zinc/19/26/39/878192639.db2.gz POGAKHASOMXQEC-OAQYLSRUSA-N 2 0 383.511 3.840 20 10 GHCDRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)C1 ZINC000090586684 887322265 /nfs/dbraw/zinc/32/22/65/887322265.db2.gz RZRZSEYQSXTDRO-RBUKOAKNSA-N 2 0 377.548 3.681 20 10 GHCDRP Cc1cc(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)c(O)c(C(C)(C)C)c1 ZINC000760286690 893153738 /nfs/dbraw/zinc/15/37/38/893153738.db2.gz WHEKNVBESIHDQF-UHFFFAOYSA-N 2 0 387.612 3.989 20 10 GHCDRP Cc1cc(C[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)ccc1N(C)C ZINC000815059814 893398531 /nfs/dbraw/zinc/39/85/31/893398531.db2.gz DHRFRNALYPDERX-UHFFFAOYSA-N 2 0 386.628 3.689 20 10 GHCDRP FC(F)Oc1ccc(N2CCC([NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000817903145 895956555 /nfs/dbraw/zinc/95/65/55/895956555.db2.gz ITPXBEMMDJLBBJ-XUVXKRRUSA-N 2 0 379.495 3.767 20 10 GHCDRP C[C@H](NCc1ccc(N2CC[NH+](C)CC2)cc1)c1nc(Br)cs1 ZINC000883290680 897455693 /nfs/dbraw/zinc/45/56/93/897455693.db2.gz CDDNQEMGUVNMRR-ZDUSSCGKSA-N 2 0 395.370 3.508 20 10 GHCDRP CN(Cc1cccs1)c1ccc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000824331961 899559827 /nfs/dbraw/zinc/55/98/27/899559827.db2.gz BWCGFYPPAOBZTL-UHFFFAOYSA-N 2 0 386.609 3.500 20 10 GHCDRP CC1([NH+]2CCCC2)CCC([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)CC1 ZINC000886511514 901103076 /nfs/dbraw/zinc/10/30/76/901103076.db2.gz VVUWZZRRULIACJ-UHFFFAOYSA-N 2 0 389.559 3.674 20 10 GHCDRP C[C@@H](Cc1c(F)cccc1Cl)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001172840646 905895285 /nfs/dbraw/zinc/89/52/85/905895285.db2.gz FGCOTYIVYVNFSI-INIZCTEOSA-N 2 0 375.919 3.952 20 10 GHCDRP COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)c1 ZINC000185360613 907756097 /nfs/dbraw/zinc/75/60/97/907756097.db2.gz JAXHTXZVMFOLCX-HOTGVXAUSA-N 2 0 387.499 3.704 20 10 GHCDRP Cc1cc(O)c(C[NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)cc1C ZINC000092855922 911868900 /nfs/dbraw/zinc/86/89/00/911868900.db2.gz XVLMBSHHQWTHIU-UHFFFAOYSA-N 2 0 379.548 3.831 20 10 GHCDRP CC(C)(CC[NH+]1CCCCCC1)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000775363363 917172630 /nfs/dbraw/zinc/17/26/30/917172630.db2.gz IHTYFEGQZUSZRZ-UHFFFAOYSA-N 2 0 377.548 3.797 20 10 GHCDRP CCN(Cc1ccccc1)c1ccc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000799346711 932960796 /nfs/dbraw/zinc/96/07/96/932960796.db2.gz QBMHLFYSRHUESZ-UHFFFAOYSA-N 2 0 394.607 3.829 20 10 GHCDRP c1ccc(C[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C2CCSCC2)cc1 ZINC001236268844 1032592007 /nfs/dbraw/zinc/59/20/07/1032592007.db2.gz ICIBYBIXEHULMU-UHFFFAOYSA-N 2 0 381.589 3.994 20 10 GHCDRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]Cc2ccc(N4CCOCC4)cc2)C3)cc1 ZINC000779438033 1020787922 /nfs/dbraw/zinc/78/79/22/1020787922.db2.gz CHZUCCBWYLIBJJ-NQDVKAMUSA-N 2 0 391.559 3.808 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[N@H+](Cc3ccccc3)CC(C)(C)O)cc2)CC1 ZINC001140306191 1021362635 /nfs/dbraw/zinc/36/26/35/1021362635.db2.gz OFNGNPJMMVDUFA-UHFFFAOYSA-N 2 0 381.564 3.602 20 10 GHCDRP Oc1cccc2c1[C@@H]([NH2+]Cc1ccc(N3CC[NH+](CC4CC4)CC3)cc1)CC2 ZINC000834697876 1021381083 /nfs/dbraw/zinc/38/10/83/1021381083.db2.gz RKHQFHSWMGJSLQ-QFIPXVFZSA-N 2 0 377.532 3.701 20 10 GHCDRP CN(C)c1ccc(/C=C\C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000835047813 1021811124 /nfs/dbraw/zinc/81/11/24/1021811124.db2.gz KQEMFSJKODWMNI-ZKWSMMDQSA-N 2 0 379.548 3.512 20 10 GHCDRP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1ccc(F)cc1[O-] ZINC000756779942 1023813170 /nfs/dbraw/zinc/81/31/70/1023813170.db2.gz OLXZJLIWVVIQFT-KRWDZBQOSA-N 2 0 383.511 3.914 20 10 GHCDRP COc1cc(C[N@@H+]2CCC[C@H](Oc3ccccc3C)C2)cc(C[NH+](C)C)c1O ZINC001139257111 1026105970 /nfs/dbraw/zinc/10/59/70/1026105970.db2.gz RRWTUDKXJGVAQZ-FQEVSTJZSA-N 2 0 384.520 3.814 20 10 GHCDRP COc1cc(C[NH+]2CCC(Oc3ccc(C)cc3)CC2)cc(C[NH+](C)C)c1O ZINC001139257235 1026107985 /nfs/dbraw/zinc/10/79/85/1026107985.db2.gz VGNTUUBXVCBTKJ-UHFFFAOYSA-N 2 0 384.520 3.814 20 10 GHCDRP COc1cccc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2cc(OC)ccc2O)CC3)c1 ZINC001203672814 1027523502 /nfs/dbraw/zinc/52/35/02/1027523502.db2.gz FDVIHTRRQTXQPE-UHFFFAOYSA-N 2 0 396.531 3.898 20 10 GHCDRP Oc1cc(N2CC[NH2+]CC2)ccc1C[NH+]1CCC(c2cccc(Cl)c2)CC1 ZINC001210519759 1027543071 /nfs/dbraw/zinc/54/30/71/1027543071.db2.gz SBQZAAKOEJXCSF-UHFFFAOYSA-N 2 0 385.939 3.835 20 10 GHCDRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2ccc(OCc3ccccc3)cc2O)CC1 ZINC000841099802 1028134811 /nfs/dbraw/zinc/13/48/11/1028134811.db2.gz PDRHLGDLUOHLMH-UPVQGACJSA-N 2 0 396.531 3.690 20 10 GHCDRP COc1ccc(O)c(C[N@@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)c1 ZINC001222573712 1030204702 /nfs/dbraw/zinc/20/47/02/1030204702.db2.gz BZCQZMHFWHXXEA-OAQYLSRUSA-N 2 0 396.531 3.704 20 10 GHCDRP [NH3+]C[C@H]1C[N@H+](Cc2c(O)ccc3cc(Br)ccc32)CCC1(F)F ZINC001205788527 1033572811 /nfs/dbraw/zinc/57/28/11/1033572811.db2.gz ORUFWUDXPWGVAV-LBPRGKRZSA-N 2 0 385.252 3.724 20 10 GHCDRP C[NH+]1CCC(Oc2cc[nH+]c(NCc3cc(Br)ccc3O)c2)CC1 ZINC001160018963 1034831550 /nfs/dbraw/zinc/83/15/50/1034831550.db2.gz NYDLSVOCFASRSF-UHFFFAOYSA-N 2 0 392.297 3.635 20 10 GHCDRP C[C@H](Cc1ccccc1Br)[NH2+]Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001246173339 1037222511 /nfs/dbraw/zinc/22/25/11/1037222511.db2.gz LNUFXOBPZCETSN-MRXNPFEDSA-N 2 0 388.353 3.580 20 10 GHCDRP CN(C)c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c(O)c1 ZINC001232842276 1038592327 /nfs/dbraw/zinc/59/23/27/1038592327.db2.gz UWIXZDHNIJRGNP-NHCUHLMSSA-N 2 0 379.548 3.802 20 10 GHCDRP Cc1ccc(C[NH+]2CCC3(CC2)CC[NH+](Cc2cc(O)c(O)c(O)c2)CC3)cc1 ZINC001233011464 1038766950 /nfs/dbraw/zinc/76/69/50/1038766950.db2.gz HWTKLUNVHRNMKH-UHFFFAOYSA-N 2 0 396.531 3.990 20 10 GHCDRP Oc1ccc2cc(Br)ccc2c1C[N@@H+]1CC[C@]2(C1)C[NH2+]CC[C@H]2F ZINC001235405649 1040918159 /nfs/dbraw/zinc/91/81/59/1040918159.db2.gz OKISUEHXBOFIPC-RTBURBONSA-N 2 0 393.300 3.831 20 10 GHCDRP CN1CCCc2cc(C[N@@H+]3CCCn4cnc(C[NH2+]C5CCCC5)c4C3)ccc21 ZINC001235645658 1041083648 /nfs/dbraw/zinc/08/36/48/1041083648.db2.gz IPLQOQHHZVZZLP-UHFFFAOYSA-N 2 0 393.579 3.704 20 10 GHCDRP CC[N@H+](Cc1ccc(N2CC[NH2+]CC2)cc1)Cc1cccc(Br)c1 ZINC001235963749 1041468239 /nfs/dbraw/zinc/46/82/39/1041468239.db2.gz ZPAQMSRGVDACEO-UHFFFAOYSA-N 2 0 388.353 3.881 20 10 GHCDRP CC[N@H+](Cc1cccc(Br)c1)Cc1cc2c(cc1O)OCC[NH2+]C2 ZINC001235962141 1041468990 /nfs/dbraw/zinc/46/89/90/1041468990.db2.gz KYDRSRBTSXMNNA-UHFFFAOYSA-N 2 0 391.309 3.659 20 10 GHCDRP c1cc2c(cccc2N2CC[NH+](Cc3ccc(N4CC[NH2+]CC4)cc3)CC2)s1 ZINC001236181068 1041599605 /nfs/dbraw/zinc/59/96/05/1041599605.db2.gz DEBCZNKBUQLVQX-UHFFFAOYSA-N 2 0 392.572 3.633 20 10 GHCDRP CCc1ccc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccccc2)CCO3)c(O)c1 ZINC001236789705 1041895772 /nfs/dbraw/zinc/89/57/72/1041895772.db2.gz QMBNBVIJGNDZBS-UHFFFAOYSA-N 2 0 380.532 3.822 20 10 GHCDRP COc1cccc(C2CC[NH+](Cc3ccc(N4CC[NH+](C)CC4)cc3F)CC2)c1 ZINC001236948142 1041967466 /nfs/dbraw/zinc/96/74/66/1041967466.db2.gz VGDCXWLETBUMTD-UHFFFAOYSA-N 2 0 397.538 3.966 20 10 GHCDRP Oc1ccccc1C[NH+]1CCC(NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001256601397 1043564197 /nfs/dbraw/zinc/56/41/97/1043564197.db2.gz WGIIRFJTSRBSCP-UHFFFAOYSA-N 2 0 379.548 3.611 20 10 GHCDRP Oc1cc(C[NH+]2CCC3(C[NH+](C4CCCC4)C3)CC2)c(O)cc1Br ZINC001279663455 1047903563 /nfs/dbraw/zinc/90/35/63/1047903563.db2.gz QMVCUIZFRSYZLH-UHFFFAOYSA-N 2 0 395.341 3.701 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH2+]C3CC[NH+](CC4CCCCC4)CC3)cc2)CC1 ZINC001308237283 1049922546 /nfs/dbraw/zinc/92/25/46/1049922546.db2.gz MPWBPWSBLHJKEN-UHFFFAOYSA-N 3 0 384.612 3.573 20 10 GHCDRP Cc1cc(F)ccc1N1CCC[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001474006930 1074234045 /nfs/dbraw/zinc/23/40/45/1074234045.db2.gz LVZOCIQVTXBKTG-QFIPXVFZSA-N 2 0 396.554 3.645 20 10 GHCDRP COc1ccc(C[NH+]2CCC(C[NH2+][C@H](C)c3cc(OC)ccc3O)CC2)cc1 ZINC000185230229 840171521 /nfs/dbraw/zinc/17/15/21/840171521.db2.gz JKFXDFHYOUDCHV-QGZVFWFLSA-N 2 0 384.520 3.972 20 10 GHCDRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(N2CCCCC2)c(F)c1 ZINC000160675208 840377914 /nfs/dbraw/zinc/37/79/14/840377914.db2.gz VMMIQZPAAHXFEQ-UYAOXDASSA-N 2 0 377.548 3.704 20 10 GHCDRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000157919179 857865619 /nfs/dbraw/zinc/86/56/19/857865619.db2.gz BOESIPCADQTKOW-MOPGFXCFSA-N 2 0 377.548 3.825 20 10 GHCDRP COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)c1 ZINC000184943377 865064794 /nfs/dbraw/zinc/06/47/94/865064794.db2.gz IMROEIBPLYBQHL-BZSNNMDCSA-N 2 0 384.520 3.861 20 10 GHCDRP COC(=O)c1cc2ccccc2c(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1O ZINC000742172700 867100142 /nfs/dbraw/zinc/10/01/42/867100142.db2.gz UVWDSRWQPWGRGB-QGZVFWFLSA-N 2 0 382.504 3.640 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH2+]CCc3coc(-c4ccc(F)cc4)n3)cc2)CC1 ZINC000771832973 875477644 /nfs/dbraw/zinc/47/76/44/875477644.db2.gz PVFRXMPZYQUMEK-UHFFFAOYSA-N 2 0 394.494 3.565 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(C(=O)OC(C)(C)C)cc3)cc2)CC1 ZINC000771842358 875481613 /nfs/dbraw/zinc/48/16/13/875481613.db2.gz MQWBZKGWMUJVCN-UHFFFAOYSA-N 2 0 395.547 3.684 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H](O)c3ccc(Cl)c(Cl)c3)cc2)CC1 ZINC000850399388 876880222 /nfs/dbraw/zinc/88/02/22/876880222.db2.gz KTEPPHQMQLQNDR-FQEVSTJZSA-N 2 0 394.346 3.568 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCCC[C@@H]3[C@H]3CCOC3)cc2F)CC1 ZINC000788987985 878496952 /nfs/dbraw/zinc/49/69/52/878496952.db2.gz OOJSMNIBVBJCKJ-TUNNFDKTSA-N 2 0 389.559 3.653 20 10 GHCDRP Cc1ccncc1CCC[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000809629606 887629923 /nfs/dbraw/zinc/62/99/23/887629923.db2.gz VXCBOGIXOFIDHP-UHFFFAOYSA-N 2 0 378.564 3.644 20 10 GHCDRP COc1ccc([C@H](C)[NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)cc1O ZINC000810228213 888303160 /nfs/dbraw/zinc/30/31/60/888303160.db2.gz CQSMSMRMTPVDKH-SFHVURJKSA-N 2 0 395.547 3.784 20 10 GHCDRP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1ccc(C(F)(F)F)nc1 ZINC000873185452 891512006 /nfs/dbraw/zinc/51/20/06/891512006.db2.gz KSMIOOMYACSRFU-HNNXBMFYSA-N 2 0 378.442 3.703 20 10 GHCDRP OC1CCN(c2ccc(C[NH2+]C[C@@H]3CCCN(Cc4cccs4)C3)cc2)CC1 ZINC000876989153 893421269 /nfs/dbraw/zinc/42/12/69/893421269.db2.gz QBTVRRPASHMQEM-FQEVSTJZSA-N 2 0 399.604 3.711 20 10 GHCDRP OC1CCN(c2ccc(C[NH2+]CC3CC[NH+](Cc4cccs4)CC3)cc2)CC1 ZINC000876990673 893421699 /nfs/dbraw/zinc/42/16/99/893421699.db2.gz LRODJGPNVOQTHI-UHFFFAOYSA-N 2 0 399.604 3.711 20 10 GHCDRP CN1CC[NH+](CCCC[NH2+][C@@H](CCc2ccccc2)c2ccccc2O)CC1 ZINC000815558611 893998413 /nfs/dbraw/zinc/99/84/13/893998413.db2.gz ITSBNLAETJXVEB-QHCPKHFHSA-N 2 0 381.564 3.683 20 10 GHCDRP C[C@@H](C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O)CN1CC[NH+](C)CC1 ZINC000815576765 894015956 /nfs/dbraw/zinc/01/59/56/894015956.db2.gz XZHZNMOJWFDWFB-REWPJTCUSA-N 2 0 381.564 3.539 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H](C[C@H]3CCOC3)c3ccc(F)cc3)cc2)CC1 ZINC000883290744 897458325 /nfs/dbraw/zinc/45/83/25/897458325.db2.gz FKQYGKGDVCHWBY-YKSBVNFPSA-N 2 0 397.538 3.835 20 10 GHCDRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000844912058 901519405 /nfs/dbraw/zinc/51/94/05/901519405.db2.gz REVSVIUDZRAGFQ-BKULYWANSA-N 2 0 396.531 3.832 20 10 GHCDRP COc1cc(O)c(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)cc1OC ZINC000160115722 904745057 /nfs/dbraw/zinc/74/50/57/904745057.db2.gz AUTDMYNWCBMDNR-UHFFFAOYSA-N 2 0 384.520 3.753 20 10 GHCDRP C[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000246867452 910716572 /nfs/dbraw/zinc/71/65/72/910716572.db2.gz DFVFBRUIHSDSET-RTBURBONSA-N 2 0 377.548 3.968 20 10 GHCDRP CC[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1ccc(OC)c(OC)c1 ZINC000796461360 917533466 /nfs/dbraw/zinc/53/34/66/917533466.db2.gz OYPVDDNOHAYTOA-OAQYLSRUSA-N 2 0 383.536 3.697 20 10 GHCDRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000749287496 927035747 /nfs/dbraw/zinc/03/57/47/927035747.db2.gz OHRXMODTVYVHAY-HYBUGGRVSA-N 2 0 379.548 3.523 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCO[C@@H](c4ccc(F)cc4)C3)cc2)CC1 ZINC000757970636 929874810 /nfs/dbraw/zinc/87/48/10/929874810.db2.gz MBUIVVYCZDUJSC-FYYLOGMGSA-N 2 0 383.511 3.587 20 10 GHCDRP COc1ccccc1C1(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)CCC1 ZINC000759192315 930304546 /nfs/dbraw/zinc/30/45/46/930304546.db2.gz ZWNUKCDPBALSBK-UHFFFAOYSA-N 2 0 379.548 3.659 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3ccnn3C3CCC3)cc2F)CC1 ZINC000924995983 931606127 /nfs/dbraw/zinc/60/61/27/931606127.db2.gz LOJUGMWWZITHHB-KRWDZBQOSA-N 2 0 385.531 3.740 20 10 GHCDRP Fc1cncc([C@H]([NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)C2CC2)c1 ZINC000798931679 932820763 /nfs/dbraw/zinc/82/07/63/932820763.db2.gz MZUCWBWEYHYFJY-XMMPIXPASA-N 2 0 394.538 3.994 20 10 GHCDRP Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC001116565499 933636729 /nfs/dbraw/zinc/63/67/29/933636729.db2.gz RZIUWSZTHKDUPD-DYESRHJHSA-N 2 0 380.532 3.995 20 10 GHCDRP COc1cc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc(O)c1O ZINC001204344884 1032784756 /nfs/dbraw/zinc/78/47/56/1032784756.db2.gz KHBYQUCGYFJEBH-UHFFFAOYSA-N 2 0 382.504 3.595 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH+]3CCC(COc4cccnc4)CC3)cc2)CC1 ZINC001140302182 1021351426 /nfs/dbraw/zinc/35/14/26/1021351426.db2.gz LYSGISIDKIZRDN-UHFFFAOYSA-N 2 0 394.563 3.515 20 10 GHCDRP Oc1cccc2c1[C@@H]([NH2+]C[C@H]1C[N@H+](Cc3ccccc3)CC13CCOCC3)CC2 ZINC000834811025 1021506552 /nfs/dbraw/zinc/50/65/52/1021506552.db2.gz LWBVGBDHFHOJIN-VXKWHMMOSA-N 2 0 392.543 3.898 20 10 GHCDRP c1[nH]c2ccncc2c1C[NH+]1CCN(c2ccc(OCc3cccnc3)cc2)CC1 ZINC001140806737 1022581325 /nfs/dbraw/zinc/58/13/25/1022581325.db2.gz PPORRTLQGBXUEI-UHFFFAOYSA-N 2 0 399.498 3.859 20 10 GHCDRP COc1ccc(O)c([C@H](C)[NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)c1 ZINC000756431564 1023645743 /nfs/dbraw/zinc/64/57/43/1023645743.db2.gz NOFJRABBKQERTB-FQEVSTJZSA-N 2 0 397.563 3.649 20 10 GHCDRP Cc1ccc([C@H](C)[NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)c(O)c1 ZINC000756431679 1023645765 /nfs/dbraw/zinc/64/57/65/1023645765.db2.gz OXIUJUWJBRXPGC-NRFANRHFSA-N 2 0 381.564 3.949 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3cc4c(cc3O)CCCC4)cn2)CC1 ZINC000756434475 1023647960 /nfs/dbraw/zinc/64/79/60/1023647960.db2.gz TYQSDWDIVQLYOK-GOSISDBHSA-N 2 0 394.563 3.659 20 10 GHCDRP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1cc(F)ccc1O ZINC000756779324 1023812217 /nfs/dbraw/zinc/81/22/17/1023812217.db2.gz JBYRGCFTOIGTAL-QGZVFWFLSA-N 2 0 383.511 3.914 20 10 GHCDRP Cc1c(C[N@@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)c2ccccc2n1C ZINC001138254491 1024477471 /nfs/dbraw/zinc/47/74/71/1024477471.db2.gz ZBFCFAPYKMOUNT-HYBUGGRVSA-N 2 0 381.564 3.667 20 10 GHCDRP COc1cc(C[NH+]2CCC(OCc3ccccc3)CC2)cc(C[NH+](C)C)c1O ZINC001139257092 1026106115 /nfs/dbraw/zinc/10/61/15/1026106115.db2.gz RBLLTMYCTWNMNX-UHFFFAOYSA-N 2 0 384.520 3.644 20 10 GHCDRP COc1cc(C[N@@H+]2CCC[C@H](Oc3ccc(C)cc3)C2)cc(C[NH+](C)C)c1O ZINC001139256932 1026106388 /nfs/dbraw/zinc/10/63/88/1026106388.db2.gz NEHKDVNDMOHVSR-NRFANRHFSA-N 2 0 384.520 3.814 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH+]3CCC(n4cnc5ccccc54)CC3)cc2)CC1 ZINC001139411362 1026283164 /nfs/dbraw/zinc/28/31/64/1026283164.db2.gz HTEIKGHJQOIXEE-UHFFFAOYSA-N 2 0 389.547 3.625 20 10 GHCDRP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001139411416 1026284477 /nfs/dbraw/zinc/28/44/77/1026284477.db2.gz KSNDMJGQQTWCFF-RUZDIDTESA-N 2 0 392.591 3.535 20 10 GHCDRP Cc1ccc(C)c(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1O ZINC001140180514 1026953327 /nfs/dbraw/zinc/95/33/27/1026953327.db2.gz IAEZOPIMQXTQJK-URVUXULASA-N 2 0 382.552 3.579 20 10 GHCDRP CCN(CC)c1ccc(C[NH2+]CCc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC001204110515 1027882592 /nfs/dbraw/zinc/88/25/92/1027882592.db2.gz BNKWMKKWSBQDHX-UHFFFAOYSA-N 2 0 380.580 3.617 20 10 GHCDRP CCN(C)c1ccc([C@@H](C)[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000840884452 1027921092 /nfs/dbraw/zinc/92/10/92/1027921092.db2.gz MSRYJAGYCZIUTR-HXUWFJFHSA-N 2 0 381.564 3.820 20 10 GHCDRP c1ccc2c(c1)CCCC21CC[NH+](Cc2ccc(N3CC[NH2+]CC3)cc2)CC1 ZINC001222614887 1030239592 /nfs/dbraw/zinc/23/95/92/1030239592.db2.gz KKMALAHREULNLZ-UHFFFAOYSA-N 2 0 375.560 3.966 20 10 GHCDRP C[NH+](C)CCN(C(=O)c1ccccc1NN=C1C=CC(=O)C=C1)[C@@H]1CCC[NH2+]C1 ZINC001161449697 1035233253 /nfs/dbraw/zinc/23/32/53/1035233253.db2.gz PSQRRORVGGVCID-PZPYUUCDSA-N 2 0 395.507 3.563 20 10 GHCDRP C[C@@H](Cc1ccc(Br)cc1)[NH2+]Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001246176354 1037224135 /nfs/dbraw/zinc/22/41/35/1037224135.db2.gz WUHRIGOILGJRNW-INIZCTEOSA-N 2 0 388.353 3.580 20 10 GHCDRP Oc1cc(O)c(C[NH+]2CCC3(CC[NH+](Cc4cccs4)CC3)CC2)cc1O ZINC001233484473 1039381290 /nfs/dbraw/zinc/38/12/90/1039381290.db2.gz LRAHCGXGJGSGNE-UHFFFAOYSA-N 2 0 388.533 3.743 20 10 GHCDRP COc1cc(Br)cc(C[N@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)c1O ZINC001236374400 1041686039 /nfs/dbraw/zinc/68/60/39/1041686039.db2.gz QNYSXWOJPZOJID-AWEZNQCLSA-N 2 0 397.357 3.908 20 10 GHCDRP COc1cc(O)c(C[N@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)c(Br)c1 ZINC001236554573 1041760662 /nfs/dbraw/zinc/76/06/62/1041760662.db2.gz LLNHESVVWBNWAY-HDJSIYSDSA-N 2 0 385.346 3.891 20 10 GHCDRP COc1cc(C)c(C[N@H+](Cc2ccccc2OC)[C@H]2CC[C@H]([NH3+])CC2)c(O)c1 ZINC001236711161 1041848545 /nfs/dbraw/zinc/84/85/45/1041848545.db2.gz MCMMLLYGRCUMKN-WGSAOQKQSA-N 2 0 384.520 3.990 20 10 GHCDRP COc1cc(O)c(C[N@H+](Cc2cccc(C)c2)[C@H]2CC[C@H]([NH3+])CC2)cc1OC ZINC001236741943 1041868722 /nfs/dbraw/zinc/86/87/22/1041868722.db2.gz YGIFQCRYOAKPDX-MXVIHJGJSA-N 2 0 384.520 3.990 20 10 GHCDRP C[N@H+](Cc1ccc(N2CCCC2)cc1)Cc1cccc(N2CC[NH+](C)CC2)c1 ZINC001236899304 1041945541 /nfs/dbraw/zinc/94/55/41/1041945541.db2.gz QTCVJNIRGUHOFX-UHFFFAOYSA-N 2 0 378.564 3.671 20 10 GHCDRP C[N@H+](Cc1ccc(N2CCCC2)cc1)Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236940718 1041965388 /nfs/dbraw/zinc/96/53/88/1041965388.db2.gz SUKMZUVWFUYUNS-UHFFFAOYSA-N 2 0 396.554 3.810 20 10 GHCDRP Cc1cnccc1O[C@H]1CC[N@H+](Cc2ccc(OCC(F)(F)F)cc2O)C1 ZINC001237064275 1042017347 /nfs/dbraw/zinc/01/73/47/1042017347.db2.gz ZJDAVNRFFKWYND-INIZCTEOSA-N 2 0 382.382 3.690 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H]3CCN(c4ccc(Cl)cc4)C3)cc2)CC1 ZINC001308233104 1049921822 /nfs/dbraw/zinc/92/18/22/1049921822.db2.gz WWMXYVQGJJIESD-HXUWFJFHSA-N 2 0 398.982 3.708 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H](O)c3cc(Cl)cc(Cl)c3)cc2)CC1 ZINC001308266897 1049931470 /nfs/dbraw/zinc/93/14/70/1049931470.db2.gz OASWZFMDBCSXHJ-HXUWFJFHSA-N 2 0 394.346 3.568 20 10 GHCDRP CN(Cc1cccs1)c1ccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC001308605307 1050028794 /nfs/dbraw/zinc/02/87/94/1050028794.db2.gz LGVNPOKHMOFOJP-UHFFFAOYSA-N 2 0 399.604 3.929 20 10 GHCDRP C[N@@H+]1CCN(CCC[NH2+]Cc2ccc(N3CCCC3)cc2)[C@H](c2ccccc2)C1 ZINC001322600039 1056766062 /nfs/dbraw/zinc/76/60/62/1056766062.db2.gz GYWILXHQZWKWFM-VWLOTQADSA-N 2 0 392.591 3.755 20 10 GHCDRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC001200820547 1056988782 /nfs/dbraw/zinc/98/87/82/1056988782.db2.gz IOFLPOCBQXBGOI-XXBNENTESA-N 2 0 397.538 3.663 20 10 GHCDRP Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000150919327 852589151 /nfs/dbraw/zinc/58/91/51/852589151.db2.gz FJZJMQOZSOHEDU-UHFFFAOYSA-N 2 0 380.580 3.881 20 10 GHCDRP CC[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)c1ccc(N(C)C)cc1 ZINC000161188195 859691935 /nfs/dbraw/zinc/69/19/35/859691935.db2.gz ZNSSMBLMVJODCK-DEOSSOPVSA-N 2 0 381.564 3.950 20 10 GHCDRP COCOc1cnc(N2CCC[C@@H]([NH3+])c3cc(C)ccc32)cc1/C=C/[NH+](C)C ZINC001169697713 871767003 /nfs/dbraw/zinc/76/70/03/871767003.db2.gz OUVYMRXPAZVAEC-SINXNMPMSA-N 2 0 382.508 3.837 20 10 GHCDRP COc1ccc(C2CC[NH+](Cc3ccc(N4CC[NH+](C)CC4)cc3)CC2)cc1 ZINC000775691529 872948183 /nfs/dbraw/zinc/94/81/83/872948183.db2.gz ZKJZQMURINWRBD-UHFFFAOYSA-N 2 0 379.548 3.827 20 10 GHCDRP Cc1cc(C[NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)cnc1Cl ZINC000768669833 873494733 /nfs/dbraw/zinc/49/47/33/873494733.db2.gz IJWOQRBXFWAKSU-UHFFFAOYSA-N 2 0 384.955 3.865 20 10 GHCDRP COc1cc(Br)cc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c1O ZINC000768925406 873694568 /nfs/dbraw/zinc/69/45/68/873694568.db2.gz DBKTYQBKEKTUEC-UHFFFAOYSA-N 2 0 385.346 3.716 20 10 GHCDRP Cc1cccc(C[NH2+]Cc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)c1O ZINC000776177099 875694252 /nfs/dbraw/zinc/69/42/52/875694252.db2.gz JBTOJAQSEMNBAT-UHFFFAOYSA-N 2 0 393.453 3.761 20 10 GHCDRP COCc1csc(C[NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)c1 ZINC000850235316 876746796 /nfs/dbraw/zinc/74/67/96/876746796.db2.gz VMKYTMJRYJOJGE-UHFFFAOYSA-N 2 0 385.577 3.716 20 10 GHCDRP COc1ccc(N2CCN(CCC[NH2+]Cc3cc(Cl)cs3)CC2)cc1 ZINC000785414209 878596435 /nfs/dbraw/zinc/59/64/35/878596435.db2.gz VAIBAGJBMDMJJP-UHFFFAOYSA-N 2 0 379.957 3.712 20 10 GHCDRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2cc(F)ccc2O)CC1 ZINC000180687208 879197685 /nfs/dbraw/zinc/19/76/85/879197685.db2.gz POLIPOFUINMKQD-OAHLLOKOSA-N 2 0 375.463 3.663 20 10 GHCDRP CC[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(C(F)(F)F)cc1O ZINC000810219881 888296391 /nfs/dbraw/zinc/29/63/91/888296391.db2.gz XGSBGYOIEMLGPB-KDOFPFPSSA-N 2 0 386.458 3.953 20 10 GHCDRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2ccc(N3CCCCC3)c(F)c2)CC1 ZINC000121136921 888961758 /nfs/dbraw/zinc/96/17/58/888961758.db2.gz QODGTYYGEVZFEN-UXHICEINSA-N 2 0 390.591 3.740 20 10 GHCDRP COc1ccc(N2CCC([NH2+]CC3CCN(c4cc[nH+]cc4)CC3)CC2)cc1 ZINC000812842824 891030439 /nfs/dbraw/zinc/03/04/39/891030439.db2.gz VFMPWFZCLAJNPJ-UHFFFAOYSA-N 2 0 380.536 3.565 20 10 GHCDRP CN(C)c1ccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)cc1 ZINC000815149461 893522736 /nfs/dbraw/zinc/52/27/36/893522736.db2.gz NZSHVQGIDTUEEM-QHCPKHFHSA-N 2 0 393.575 3.771 20 10 GHCDRP C[C@@H]1CCCN(c2ccc(C[NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)cc2Cl)C1 ZINC000817929795 895949912 /nfs/dbraw/zinc/94/99/12/895949912.db2.gz KIKCXJIIEFBDOP-FRTACKCFSA-N 2 0 391.987 3.823 20 10 GHCDRP CO[C@@H](c1ccccc1Cl)[C@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000779148314 904661421 /nfs/dbraw/zinc/66/14/21/904661421.db2.gz CGCAUYDELGNTOY-HTAPYJJXSA-N 2 0 387.955 3.958 20 10 GHCDRP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2cc(Br)cc(C)c2O)CC1 ZINC000186999486 908017075 /nfs/dbraw/zinc/01/70/75/908017075.db2.gz WSJZOQGHCRTXQD-MRXNPFEDSA-N 2 0 398.389 3.531 20 10 GHCDRP COc1cccc(C[NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)c1OC ZINC000092855906 911868213 /nfs/dbraw/zinc/86/82/13/911868213.db2.gz UBYYUYVEWKCDMA-UHFFFAOYSA-N 2 0 395.547 3.526 20 10 GHCDRP COc1cc(C)c(C[NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)c(C)n1 ZINC000781636788 930920105 /nfs/dbraw/zinc/92/01/05/930920105.db2.gz RVMXMTAFORCYEE-UHFFFAOYSA-N 2 0 394.563 3.529 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@@H]([C@H]4CCOC4)C3)cc2F)CC1 ZINC000798493830 932670808 /nfs/dbraw/zinc/67/08/08/932670808.db2.gz UETZRVMZZKFTED-QHAWAJNXSA-N 2 0 389.559 3.653 20 10 GHCDRP COCC[N@H+](C)CCOc1cccc(C[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3C)c1 ZINC001116565085 933636857 /nfs/dbraw/zinc/63/68/57/933636857.db2.gz HKBPXRHNTWSSLY-GHTZIAJQSA-N 2 0 398.547 3.996 20 10 GHCDRP CC[C@H]([NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1ccc(F)cn1 ZINC000779151281 1020427614 /nfs/dbraw/zinc/42/76/14/1020427614.db2.gz WNRSRCPCNOSUGB-QFIPXVFZSA-N 2 0 382.527 3.994 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3CCCC[C@H]3C[C@@H]3CCC[NH+]3C)cc2)CC1 ZINC001140306769 1021363831 /nfs/dbraw/zinc/36/38/31/1021363831.db2.gz XANNFCTVGFASRQ-ZEQRLZLVSA-N 3 0 384.612 3.667 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH+]3CCC(Oc4cc(C)ccn4)CC3)cc2)CC1 ZINC001140309307 1021368640 /nfs/dbraw/zinc/36/86/40/1021368640.db2.gz ASRKJSOVNNEIMO-UHFFFAOYSA-N 2 0 394.563 3.575 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@H](Oc4ncccc4C)C3)cc2)CC1 ZINC001140309767 1021370865 /nfs/dbraw/zinc/37/08/65/1021370865.db2.gz UCSFMIKGAJYHED-QHCPKHFHSA-N 2 0 394.563 3.575 20 10 GHCDRP C[C@@H]([NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1)c1cc(F)ccc1O ZINC000756431583 1023645658 /nfs/dbraw/zinc/64/56/58/1023645658.db2.gz NQPMREANTLXKRK-LJQANCHMSA-N 2 0 385.527 3.780 20 10 GHCDRP C[C@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1cc2c(cc1O)CCCC2 ZINC000756433193 1023645819 /nfs/dbraw/zinc/64/58/19/1023645819.db2.gz AMBVKTWPIUJMOF-IBGZPJMESA-N 2 0 393.575 3.869 20 10 GHCDRP Cc1ccc([C@@H](C)[NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)c(O)c1 ZINC000756431681 1023645893 /nfs/dbraw/zinc/64/58/93/1023645893.db2.gz OXIUJUWJBRXPGC-OAQYLSRUSA-N 2 0 381.564 3.949 20 10 GHCDRP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)c2c1c(F)ccc2O ZINC000756633331 1023746948 /nfs/dbraw/zinc/74/69/48/1023746948.db2.gz HNFAGWWDXCWPAY-MGPUTAFESA-N 2 0 384.495 3.826 20 10 GHCDRP C[C@@H](Cn1ccnc1)[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000838899631 1025426488 /nfs/dbraw/zinc/42/64/88/1025426488.db2.gz IWGAPAAEIJRKDM-HNNXBMFYSA-N 2 0 377.330 3.814 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH+]3CCC4(CCc5ccccc54)CC3)cc2)CC1 ZINC001139408664 1026280328 /nfs/dbraw/zinc/28/03/28/1026280328.db2.gz OSLNYKYRXKABLR-UHFFFAOYSA-N 2 0 375.560 3.918 20 10 GHCDRP COc1ccc(N2CC[NH+](CCCNc3ccc4[nH]c[nH+]c4c3C)CC2)cc1 ZINC001164334666 1026489424 /nfs/dbraw/zinc/48/94/24/1026489424.db2.gz VSXHGVHHCQJZSP-UHFFFAOYSA-N 2 0 379.508 3.504 20 10 GHCDRP Cc1cc(C[NH+]2CCC3(C[C@@H]([N@H+](C)Cc4ccco4)CO3)CC2)ccc1N(C)C ZINC001139671162 1026526296 /nfs/dbraw/zinc/52/62/96/1026526296.db2.gz SWQDRHWRRSZYRM-OAQYLSRUSA-N 2 0 397.563 3.910 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCc4ccc(OC)cc4C3)cc2F)CC1 ZINC001461168125 1069423753 /nfs/dbraw/zinc/42/37/53/1069423753.db2.gz OSXDKPSKOPIKFB-NRFANRHFSA-N 2 0 397.538 3.623 20 10 GHCDRP COc1cccc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccc(O)c(O)c2)CC3)c1 ZINC001203876743 1027675624 /nfs/dbraw/zinc/67/56/24/1027675624.db2.gz IMQWQCQVTMXUBC-UHFFFAOYSA-N 2 0 382.504 3.595 20 10 GHCDRP CCN(C)c1ccc([C@H](C)[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000840884451 1027920929 /nfs/dbraw/zinc/92/09/29/1027920929.db2.gz MSRYJAGYCZIUTR-FQEVSTJZSA-N 2 0 381.564 3.820 20 10 GHCDRP Cc1cc(N(C)C)ccc1C[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000840916906 1027955636 /nfs/dbraw/zinc/95/56/36/1027955636.db2.gz NOZSIUVWRYKXJD-UHFFFAOYSA-N 2 0 386.628 3.689 20 10 GHCDRP C[C@@H]([NH2+]Cc1ccc(N2CCCCC2)c(Br)c1)[C@H]1CCC[NH2+]C1 ZINC000841034328 1028058008 /nfs/dbraw/zinc/05/80/08/1028058008.db2.gz XDEBNEISRPNVJB-WBVHZDCISA-N 2 0 380.374 3.917 20 10 GHCDRP C[C@@H]([NH2+]Cc1ccc(N2CCCCC2)c(Br)c1)[C@@H]1CCC[NH2+]C1 ZINC000841034318 1028058829 /nfs/dbraw/zinc/05/88/29/1028058829.db2.gz XDEBNEISRPNVJB-NVXWUHKLSA-N 2 0 380.374 3.917 20 10 GHCDRP CN(c1ccccc1CN1CCCc2cc(C[NH3+])ccc21)C1CC[NH+](C)CC1 ZINC000843057940 1029790692 /nfs/dbraw/zinc/79/06/92/1029790692.db2.gz HYKLJQLVMOSDJA-UHFFFAOYSA-N 2 0 378.564 3.629 20 10 GHCDRP [NH3+]CC1(c2ccccc2)CC[NH+](Cc2ccc(OCC(F)(F)F)cc2O)CC1 ZINC001206760811 1033973813 /nfs/dbraw/zinc/97/38/13/1033973813.db2.gz MCMRCDWJOZOQEC-UHFFFAOYSA-N 2 0 394.437 3.826 20 10 GHCDRP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3c(O)ccc4ccccc43)CC2)C1 ZINC001231586851 1034739022 /nfs/dbraw/zinc/73/90/22/1034739022.db2.gz MTKOEMRDTYKBOW-LJQANCHMSA-N 2 0 396.531 3.785 20 10 GHCDRP COc1cc(C[N@@H+]2CCCC3(CC[NH+](Cc4ccccc4)CC3)C2)c(O)cc1O ZINC001231639680 1034797139 /nfs/dbraw/zinc/79/71/39/1034797139.db2.gz ZCXMABNPVKGEGN-UHFFFAOYSA-N 2 0 396.531 3.985 20 10 GHCDRP CCCCN(CCCC)c1ccc(C[N@@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)c(O)c1 ZINC001235039734 1040533384 /nfs/dbraw/zinc/53/33/84/1040533384.db2.gz HRKUSYLRXLQPQK-NFBKMPQASA-N 2 0 389.584 3.609 20 10 GHCDRP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001462541267 1070343502 /nfs/dbraw/zinc/34/35/02/1070343502.db2.gz BVPFDTJTBBEUMZ-NRFANRHFSA-N 2 0 397.563 3.567 20 10 GHCDRP COc1cccc(CC2CC[NH+](Cc3ccc(N4CC[NH2+]CC4)cc3)CC2)c1 ZINC001236084566 1041526322 /nfs/dbraw/zinc/52/63/22/1041526322.db2.gz CFNFROQXFKQEQP-UHFFFAOYSA-N 2 0 379.548 3.560 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[N@H+](Cc3ccccc3)C3CC[NH2+]CC3)cc2)CC1 ZINC001236300545 1041665422 /nfs/dbraw/zinc/66/54/22/1041665422.db2.gz RMPYMQTYDQRAKP-UHFFFAOYSA-N 3 0 392.591 3.583 20 10 GHCDRP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)Cc2ccccc2F)CC1 ZINC001236536125 1041755892 /nfs/dbraw/zinc/75/58/92/1041755892.db2.gz BGMIWLMPNAMGIK-AFARHQOCSA-N 3 0 396.554 3.507 20 10 GHCDRP COc1cc(C[NH+]2CCC(C3CC[NH+](C)CC3)CC2)c(O)cc1Br ZINC001236753249 1041873421 /nfs/dbraw/zinc/87/34/21/1041873421.db2.gz LMXGIYBNFGAHCC-UHFFFAOYSA-N 2 0 397.357 3.717 20 10 GHCDRP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1F)Cc1cccc2cccnc21 ZINC001236934183 1041964089 /nfs/dbraw/zinc/96/40/89/1041964089.db2.gz DRXGPDJBQHXBAS-UHFFFAOYSA-N 2 0 378.495 3.758 20 10 GHCDRP COc1ccc(C2=CC[N@H+](Cc3ccc(N4CC[NH+](C)CC4)cc3F)CC2)cc1 ZINC001236946247 1041966878 /nfs/dbraw/zinc/96/68/78/1041966878.db2.gz NLLBIWCVEXAZQW-UHFFFAOYSA-N 2 0 395.522 3.875 20 10 GHCDRP CC[C@@H]([NH2+]Cc1cccc(CN2CC[NH+](C)CC2)c1)c1ccc(N(C)C)cc1 ZINC001319189739 1055089070 /nfs/dbraw/zinc/08/90/70/1055089070.db2.gz IYCATTDTWAPCSO-XMMPIXPASA-N 2 0 380.580 3.741 20 10 GHCDRP C[NH+](Cc1cncc(C[N@@H+](C)Cc2ccccc2O)c1)Cc1ccccc1O ZINC001324425053 1057130934 /nfs/dbraw/zinc/13/09/34/1057130934.db2.gz PXORHFZBIQHCJO-UHFFFAOYSA-N 2 0 377.488 3.757 20 10 GHCDRP COc1cc(Br)cc([C@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)c1O ZINC000848521977 1057146499 /nfs/dbraw/zinc/14/64/99/1057146499.db2.gz SVZYUFXMUXDJSY-LBPRGKRZSA-N 2 0 383.330 3.688 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3cccc(NC(C)=O)c3)cc2F)CC1 ZINC000155255366 836660822 /nfs/dbraw/zinc/66/08/22/836660822.db2.gz TZFNXGIYDOKXRC-KRWDZBQOSA-N 2 0 398.526 3.777 20 10 GHCDRP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2Cl)CC1 ZINC000122671277 838052127 /nfs/dbraw/zinc/05/21/27/838052127.db2.gz ZLHYGMSPXRXECJ-KRWDZBQOSA-N 2 0 379.976 3.949 20 10 GHCDRP COc1cc(O)c(C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)cc1OC ZINC000160424660 839057507 /nfs/dbraw/zinc/05/75/07/839057507.db2.gz OLJBIHUSYBXBRS-KRWDZBQOSA-N 2 0 376.541 3.886 20 10 GHCDRP CC[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1cc(Br)ccc1O ZINC000155894686 840372328 /nfs/dbraw/zinc/37/23/28/840372328.db2.gz MMNCDHXOGGWLEM-KBXCAEBGSA-N 2 0 397.357 3.696 20 10 GHCDRP COC(=O)c1cc2ccccc2c(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1O ZINC000738072183 865479883 /nfs/dbraw/zinc/47/98/83/865479883.db2.gz WAGDCXMIKINLDZ-UHFFFAOYSA-N 2 0 382.504 3.640 20 10 GHCDRP c1ccc(C[NH+]2CCN(CC[NH2+]Cc3ccc(N4CCCCC4)cc3)CC2)cc1 ZINC000920957230 882473081 /nfs/dbraw/zinc/47/30/81/882473081.db2.gz RBXMQLQIBQTHMR-UHFFFAOYSA-N 2 0 392.591 3.584 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@H](c4nc5ccccc5o4)C3)cc2)CC1 ZINC000775650408 872321206 /nfs/dbraw/zinc/32/12/06/872321206.db2.gz ZUKWXXDCOYGDBG-FQEVSTJZSA-N 2 0 390.531 3.959 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH+]3CCC([C@@H](O)c4ccc(F)cc4)CC3)cc2)CC1 ZINC000775690282 872930017 /nfs/dbraw/zinc/93/00/17/872930017.db2.gz PEUFTFZQQRMDIJ-DEOSSOPVSA-N 2 0 397.538 3.523 20 10 GHCDRP Fc1cc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)ccc1N1CCOCC1 ZINC000768303554 873221394 /nfs/dbraw/zinc/22/13/94/873221394.db2.gz QTGPNLIWBROGTB-UHFFFAOYSA-N 2 0 389.559 3.750 20 10 GHCDRP Oc1ccc(-c2ccccc2)cc1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000769205014 873886545 /nfs/dbraw/zinc/88/65/45/873886545.db2.gz CFPKKPSKDCTTOK-UHFFFAOYSA-N 2 0 380.532 3.994 20 10 GHCDRP COc1cc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c(O)c(C(C)(C)C)c1 ZINC000850357787 876848072 /nfs/dbraw/zinc/84/80/72/876848072.db2.gz VHXMOAJKMRZPTM-FQEVSTJZSA-N 2 0 398.547 3.555 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CC(C)(C)Oc4ccc(F)cc43)cc2)CC1 ZINC000846051596 902639531 /nfs/dbraw/zinc/63/95/31/902639531.db2.gz GZUKZOSLSHMATC-NRFANRHFSA-N 2 0 383.511 3.970 20 10 GHCDRP COc1ccc(Cl)c2c1C[C@@H]([NH2+]Cc1ccc(N3CC[NH+](C)CC3)cc1)CC2 ZINC001171287351 903613878 /nfs/dbraw/zinc/61/38/78/903613878.db2.gz FBSRXEUROSFMSG-SFHVURJKSA-N 2 0 399.966 3.748 20 10 GHCDRP C[C@@H]1C[C@@H](NC2CC[NH+](Cc3ccccc3O)CC2)C[N@@H+]1Cc1ccccc1 ZINC001171733099 904960946 /nfs/dbraw/zinc/96/09/46/904960946.db2.gz IIXOFNKPTUAZOX-AUSIDOKSSA-N 2 0 379.548 3.609 20 10 GHCDRP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1cn2c(n1)CCCC2 ZINC000925676626 931873876 /nfs/dbraw/zinc/87/38/76/931873876.db2.gz KPOOHEWBXIQPAX-IBGZPJMESA-N 2 0 393.579 3.602 20 10 GHCDRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H]2CCc3cccc(O)c32)cc1OC ZINC000834519133 1021240746 /nfs/dbraw/zinc/24/07/46/1021240746.db2.gz QJJFBURYQBOJNX-IBGZPJMESA-N 2 0 384.520 3.899 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH+]3CCC(c4ccc(O)cc4)CC3)cc2)CC1 ZINC001140305934 1021361481 /nfs/dbraw/zinc/36/14/81/1021361481.db2.gz ITOCKOJJCPJCSV-UHFFFAOYSA-N 2 0 379.548 3.914 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@H]3CC(=O)OC(C)(C)C)cc2)CC1 ZINC001140306201 1021362560 /nfs/dbraw/zinc/36/25/60/1021362560.db2.gz OZAMCWXXEMSAQS-NRFANRHFSA-N 2 0 387.568 3.525 20 10 GHCDRP Oc1cccc(Cl)c1C[NH+]1CCC2(CC1)C[N@H+](Cc1ccccc1)CCO2 ZINC001140344042 1021458470 /nfs/dbraw/zinc/45/84/70/1021458470.db2.gz FCHFBKAHQMAYBB-UHFFFAOYSA-N 2 0 386.923 3.913 20 10 GHCDRP CCN(CC)c1ccc(C[NH+]2CCC(COCC[NH+]3CCCC3)CC2)c(O)c1 ZINC001140851013 1022697653 /nfs/dbraw/zinc/69/76/53/1022697653.db2.gz YJMXGDCINWBNHU-UHFFFAOYSA-N 2 0 389.584 3.563 20 10 GHCDRP CN1CCOc2cc(C[NH+]3CCC4(CC[C@H]4[N@H+](C)Cc4ccco4)CC3)ccc21 ZINC001141142401 1023574562 /nfs/dbraw/zinc/57/45/62/1023574562.db2.gz OIGJXCBCSQCQCS-HSZRJFAPSA-N 2 0 395.547 3.985 20 10 GHCDRP C[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1cc2c(cc1O)CCCC2 ZINC000756607390 1023735183 /nfs/dbraw/zinc/73/51/83/1023735183.db2.gz GHJRETUDIKFNCB-LJQANCHMSA-N 2 0 385.596 3.872 20 10 GHCDRP COc1cc(CN2CCC([N@H+](C)Cc3ccccc3)CC2)cc(C[NH+](C)C)c1O ZINC001139256939 1026105871 /nfs/dbraw/zinc/10/58/71/1026105871.db2.gz NGECOQJAHQNWDV-UHFFFAOYSA-N 2 0 397.563 3.559 20 10 GHCDRP COc1cc(C[N@@H+]2CCC[C@H](Sc3ccncc3)C2)cc(C[NH+](C)C)c1O ZINC001139256667 1026105992 /nfs/dbraw/zinc/10/59/92/1026105992.db2.gz GOKVLRKGYHWFBC-IBGZPJMESA-N 2 0 387.549 3.614 20 10 GHCDRP c1cncc(-c2cccc3c2C2(CN3c3ccc4c(n3)CC[NH2+]C4)CC[NH2+]CC2)c1 ZINC001166126883 1026924449 /nfs/dbraw/zinc/92/44/49/1026924449.db2.gz DGXUESHWRLDXPS-UHFFFAOYSA-N 2 0 397.526 3.562 20 10 GHCDRP Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000840931988 1027967313 /nfs/dbraw/zinc/96/73/13/1027967313.db2.gz LZHKPMALYQIZPM-GOSISDBHSA-N 2 0 384.543 3.803 20 10 GHCDRP Oc1c(C[N@@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)cc2c3c1CCCN3CCC2 ZINC001222159965 1029982610 /nfs/dbraw/zinc/98/26/10/1029982610.db2.gz AVGDSSUDIFCRER-XMMPIXPASA-N 2 0 383.580 3.837 20 10 GHCDRP CCOC(=O)[C@H]1CC2(C[N@@H+]1Cc1cc(C)n(-c3ccccc3)c1C)CC[NH2+]CC2 ZINC001222221407 1030015834 /nfs/dbraw/zinc/01/58/34/1030015834.db2.gz MOAUIKCEVJXQDM-JOCHJYFZSA-N 2 0 395.547 3.601 20 10 GHCDRP Oc1cc(OCC(F)(F)F)ccc1C[N@@H+]1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222614595 1030237340 /nfs/dbraw/zinc/23/73/40/1030237340.db2.gz HJLIDXBFAZETIP-SFHVURJKSA-N 2 0 392.421 3.522 20 10 GHCDRP C[NH+]1CCC(C[NH+]2CCN(c3ccc(OCc4ccccc4)cc3)CC2)CC1 ZINC001207403945 1034344998 /nfs/dbraw/zinc/34/49/98/1034344998.db2.gz YRZGEJMBFIHCHS-UHFFFAOYSA-N 2 0 379.548 3.729 20 10 GHCDRP Cc1cccc(C[NH+]2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1O ZINC001231592709 1034747477 /nfs/dbraw/zinc/74/74/77/1034747477.db2.gz OZWUNNSFSLOTDP-QFIPXVFZSA-N 2 0 380.532 3.956 20 10 GHCDRP C[N@@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3ccc4ccccc4c3O)C2)C1 ZINC001231878824 1034962595 /nfs/dbraw/zinc/96/25/95/1034962595.db2.gz PYKWBBJSWIQGQD-ZJSXRUAMSA-N 2 0 380.532 3.726 20 10 GHCDRP CN(C)c1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c(O)c1 ZINC001232841056 1038592051 /nfs/dbraw/zinc/59/20/51/1038592051.db2.gz RDMBEBWZEOFWIJ-DEOSSOPVSA-N 2 0 379.548 3.946 20 10 GHCDRP Oc1cc(C[N@@H+]2CCCC3(CC[NH+](Cc4ccccc4)CC3)C2)cc(O)c1O ZINC001233014785 1038768981 /nfs/dbraw/zinc/76/89/81/1038768981.db2.gz CAIGTRIKHLOXMT-UHFFFAOYSA-N 2 0 382.504 3.682 20 10 GHCDRP Oc1cc(C(F)(F)F)ccc1C[N@@H+]1C[C@H]2CCN(Cc3ccncc3)C[C@H]2C1 ZINC001233453673 1039338827 /nfs/dbraw/zinc/33/88/27/1039338827.db2.gz PLJKSVIVFVEXSI-AEFFLSMTSA-N 2 0 391.437 3.760 20 10 GHCDRP CN1CCCc2cc(C[N@@H+]3CC[C@]4(c5ccccc5)CC[NH2+]C[C@H]4C3)ccc21 ZINC001235360408 1040843571 /nfs/dbraw/zinc/84/35/71/1040843571.db2.gz BVMXBWXDECSMTA-ZCYQVOJMSA-N 2 0 375.560 3.822 20 10 GHCDRP CC[C@H]1CO[C@@](C)(CCC(C)C)[N@@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001235964152 1041468441 /nfs/dbraw/zinc/46/84/41/1041468441.db2.gz ZXVHMNDEMSYRND-UGKGYDQZSA-N 2 0 375.557 3.565 20 10 GHCDRP C[NH+]1CCC(C2CC[NH+](Cc3ccc(OCC(F)(F)F)cc3O)CC2)CC1 ZINC001237055897 1042013034 /nfs/dbraw/zinc/01/30/34/1042013034.db2.gz IVLPQVIDBKOLIX-UHFFFAOYSA-N 2 0 386.458 3.887 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H]4Nc5ccc(Cl)cc5[C@H]4C3)cc2)CC1 ZINC001237229593 1042098025 /nfs/dbraw/zinc/09/80/25/1042098025.db2.gz DGNBPXCZCXKVOF-GGAORHGYSA-N 2 0 396.966 3.875 20 10 GHCDRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001256523118 1043448154 /nfs/dbraw/zinc/44/81/54/1043448154.db2.gz NCKLINWKSZIMTP-QPPBQGQZSA-N 3 0 392.591 3.581 20 10 GHCDRP Oc1ccccc1C[NH+]1CCC(NC2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC001258138028 1044424008 /nfs/dbraw/zinc/42/40/08/1044424008.db2.gz PPQZBANQHNLURK-UHFFFAOYSA-N 2 0 393.575 3.653 20 10 GHCDRP Cc1c2ccccc2n(C)c1C[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC001308248050 1049925586 /nfs/dbraw/zinc/92/55/86/1049925586.db2.gz PVCWYKXWGKEPHL-UHFFFAOYSA-N 2 0 377.532 3.733 20 10 GHCDRP Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC001327857044 1050300141 /nfs/dbraw/zinc/30/01/41/1050300141.db2.gz XEYCFWPHYDVAKM-QUCCMNQESA-N 2 0 379.548 3.832 20 10 GHCDRP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccc(N4CCCC4)cc3)C2)ccn1 ZINC001328524915 1050535175 /nfs/dbraw/zinc/53/51/75/1050535175.db2.gz HQNQGLSKLVKALZ-XMMPIXPASA-N 2 0 394.563 3.787 20 10 GHCDRP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3c(O)cc(C)cc3Cl)C2)ccn1 ZINC000856550487 881364663 /nfs/dbraw/zinc/36/46/63/881364663.db2.gz ZTCDPYZUVACLNE-GOSISDBHSA-N 2 0 389.927 3.854 20 10 GHCDRP C[C@H]1C[NH+](CCCC[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)C[C@H](C)O1 ZINC000792936150 881826923 /nfs/dbraw/zinc/82/69/23/881826923.db2.gz MNOFXMNQZHWJGR-HOTGVXAUSA-N 2 0 387.490 3.750 20 10 GHCDRP CCN(C)c1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000182243450 872104176 /nfs/dbraw/zinc/10/41/76/872104176.db2.gz NKKXNBMIMQHOAM-YADARESESA-N 2 0 381.564 3.950 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3cc4ccncc4s3)cc2F)CC1 ZINC000850126460 876685737 /nfs/dbraw/zinc/68/57/37/876685737.db2.gz OKOYPEUJHJAAKK-UHFFFAOYSA-N 2 0 384.524 3.867 20 10 GHCDRP COc1ccc(N2CC[C@H]([NH2+][C@@H](C)[C@H]3CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC000850487506 876962278 /nfs/dbraw/zinc/96/22/78/876962278.db2.gz HLWYBWDLXZAPLQ-BVSLBCMMSA-N 2 0 379.548 3.774 20 10 GHCDRP C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000850567478 877034942 /nfs/dbraw/zinc/03/49/42/877034942.db2.gz CXBIABSSHDDDAL-REWPJTCUSA-N 2 0 393.575 3.648 20 10 GHCDRP Cc1cccc(N2CC[NH+](CCCC[NH2+]Cc3ccc4c(c3)CCO4)CC2)c1 ZINC000237856542 878151438 /nfs/dbraw/zinc/15/14/38/878151438.db2.gz AWGPJKWIAHBZGI-UHFFFAOYSA-N 2 0 379.548 3.622 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H](c3ccccc3)C(F)(F)F)cc2)CC1 ZINC000776816192 880592760 /nfs/dbraw/zinc/59/27/60/880592760.db2.gz OASUAGYCJSSRFF-FQEVSTJZSA-N 2 0 377.454 3.874 20 10 GHCDRP CC[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccc(C(F)(F)F)cc1O ZINC000810216095 888293676 /nfs/dbraw/zinc/29/36/76/888293676.db2.gz QGGAUANTNANATK-SFHVURJKSA-N 2 0 387.490 3.725 20 10 GHCDRP COc1ccc(C[NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)cc1C ZINC000916837884 890275066 /nfs/dbraw/zinc/27/50/66/890275066.db2.gz ZWYNKEROPGJJHT-UHFFFAOYSA-N 2 0 381.564 3.691 20 10 GHCDRP COc1ccc2ccc(O)c(C[NH+]3CCC(N4CC[NH+](C(C)C)CC4)CC3)c2c1 ZINC000760287407 893459536 /nfs/dbraw/zinc/45/95/36/893459536.db2.gz WTRHIUDSEAJGED-UHFFFAOYSA-N 2 0 397.563 3.544 20 10 GHCDRP C[NH+]1CCC(N2CC[C@@H]([NH2+][C@@H](CCc3ccccc3)c3ccccc3O)C2)CC1 ZINC000815579397 894019065 /nfs/dbraw/zinc/01/90/65/894019065.db2.gz MIQGMRPYOZKXDM-QPPBQGQZSA-N 2 0 393.575 3.824 20 10 GHCDRP C[NH+](C)C1CCN(CC[NH2+][C@@H](CCc2ccccc2)c2ccccc2O)CC1 ZINC000815586325 894025443 /nfs/dbraw/zinc/02/54/43/894025443.db2.gz FWJHGTHCTRYMKZ-QHCPKHFHSA-N 2 0 381.564 3.682 20 10 GHCDRP CO[C@H]1C[C@H]2C[C@H]([NH2+]Cc3ccc(N4CC[NH+](CC5CC5)CC4)cc3)C[C@H]2C1 ZINC000818335086 896116640 /nfs/dbraw/zinc/11/66/40/896116640.db2.gz RONHBNGZAMPFMN-KULFHQPUSA-N 2 0 383.580 3.512 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H](c3ccc(F)cc3)C3CCOCC3)cc2)CC1 ZINC000883291192 897457663 /nfs/dbraw/zinc/45/76/63/897457663.db2.gz VIVUKQNLNDUFTQ-DEOSSOPVSA-N 2 0 397.538 3.835 20 10 GHCDRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000844912061 901520134 /nfs/dbraw/zinc/52/01/34/901520134.db2.gz REVSVIUDZRAGFQ-JCTONOIOSA-N 2 0 396.531 3.832 20 10 GHCDRP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@H](C)c2cc(OC)ccc2O)CC1 ZINC000845972090 902554035 /nfs/dbraw/zinc/55/40/35/902554035.db2.gz IIGUPHOFBSOLER-GOSISDBHSA-N 2 0 383.536 3.784 20 10 GHCDRP COc1ccc(C[NH+]2CCC(C[NH2+][C@H](C)c3cccc(OC)c3O)CC2)cc1 ZINC000846141274 902746783 /nfs/dbraw/zinc/74/67/83/902746783.db2.gz HKNSGBWLWXYUQQ-QGZVFWFLSA-N 2 0 384.520 3.972 20 10 GHCDRP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1ccc2c(c1)OCO2 ZINC000773148404 904486683 /nfs/dbraw/zinc/48/66/83/904486683.db2.gz WWFPHMJJXOUAHV-GOSISDBHSA-N 2 0 393.531 3.798 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](c3ccc(F)cn3)C(C)C)cc2F)CC1 ZINC000779340904 906337872 /nfs/dbraw/zinc/33/78/72/906337872.db2.gz MPUXZIDLIGJJSG-QFIPXVFZSA-N 2 0 388.506 3.989 20 10 GHCDRP Cc1cc(Br)cc([C@@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)c1O ZINC000187224260 908057041 /nfs/dbraw/zinc/05/70/41/908057041.db2.gz XSNRDLDKMUAIOP-CABCVRRESA-N 2 0 397.357 3.615 20 10 GHCDRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000246828467 910687442 /nfs/dbraw/zinc/68/74/42/910687442.db2.gz BOESIPCADQTKOW-RTBURBONSA-N 2 0 377.548 3.825 20 10 GHCDRP c1cc(N2CC[NH+](CC3CC3)CC2)ccc1C[NH2+][C@H]1CCCC12CCOCC2 ZINC000800482981 920166519 /nfs/dbraw/zinc/16/65/19/920166519.db2.gz SAPDSFNMSGXOAD-QHCPKHFHSA-N 2 0 383.580 3.658 20 10 GHCDRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(OCc2ccccc2)cc1O ZINC000753549559 929409018 /nfs/dbraw/zinc/40/90/18/929409018.db2.gz SLHIPNBSFQTJDD-KIFXHHALSA-N 2 0 396.531 3.655 20 10 GHCDRP CC(C)(O)c1ccc(C[NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)cc1 ZINC000830331804 935932127 /nfs/dbraw/zinc/93/21/27/935932127.db2.gz ZVIMQURMWHVEMJ-UHFFFAOYSA-N 2 0 393.575 3.736 20 10 GHCDRP COc1cccc(C[NH+]2CCC3(CC2)CC[NH+](Cc2ccc(O)cc2O)CC3)c1 ZINC001204272671 1032717225 /nfs/dbraw/zinc/71/72/25/1032717225.db2.gz GKGPJFVNEVYNHU-UHFFFAOYSA-N 2 0 396.531 3.985 20 10 GHCDRP CN(C)c1ccc(/C=C\C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)cc1 ZINC000835047811 1021811386 /nfs/dbraw/zinc/81/13/86/1021811386.db2.gz KQEMFSJKODWMNI-RULWIFSWSA-N 2 0 379.548 3.512 20 10 GHCDRP Cc1ccc(O)c([C@H](C)[NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)c1 ZINC000756430737 1023644850 /nfs/dbraw/zinc/64/48/50/1023644850.db2.gz KTEGLZIZNVBHEJ-NRFANRHFSA-N 2 0 381.564 3.949 20 10 GHCDRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)c2c1c(F)ccc2O ZINC000756551886 1023710796 /nfs/dbraw/zinc/71/07/96/1023710796.db2.gz YMFQPTXTWWYISY-QRWLVFNGSA-N 2 0 384.495 3.826 20 10 GHCDRP COc1ccc(O)c([C@H](C)[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)c1 ZINC000756620849 1023740933 /nfs/dbraw/zinc/74/09/33/1023740933.db2.gz NUFUXCRGTBZUSS-HNNXBMFYSA-N 2 0 389.927 3.657 20 10 GHCDRP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)c2c1c(F)ccc2O ZINC000756633332 1023747083 /nfs/dbraw/zinc/74/70/83/1023747083.db2.gz HNFAGWWDXCWPAY-QRWLVFNGSA-N 2 0 384.495 3.826 20 10 GHCDRP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(N3CCCCC3)cc1)C2 ZINC001138216741 1024385028 /nfs/dbraw/zinc/38/50/28/1024385028.db2.gz JKDPPUOFQQTQDF-ZCYQVOJMSA-N 2 0 397.607 3.857 20 10 GHCDRP CC[N@H+](Cc1cc(C[NH+](C)C)c(O)c(OC)c1)[C@@H](C)Cc1ccc(OC)cc1 ZINC001139253184 1026104400 /nfs/dbraw/zinc/10/44/00/1026104400.db2.gz PCOWTENJLCFGOZ-KRWDZBQOSA-N 2 0 386.536 3.924 20 10 GHCDRP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)Cc1cccc(Br)c1 ZINC001139408245 1026280739 /nfs/dbraw/zinc/28/07/39/1026280739.db2.gz JTOVKGHXOCFVFN-UHFFFAOYSA-N 2 0 388.353 3.833 20 10 GHCDRP COc1ccc(N2CC[NH+](CCCNc3[nH+]c(C)cc4cc[nH]c43)CC2)cc1 ZINC001164328189 1026487293 /nfs/dbraw/zinc/48/72/93/1026487293.db2.gz SUYYANOADOYLEJ-UHFFFAOYSA-N 2 0 379.508 3.504 20 10 GHCDRP Cc1ccc(C)c(C[NH+]2CCC3(CC2)COCC[N@H+](Cc2cccnc2)C3)c1O ZINC001140180315 1026952747 /nfs/dbraw/zinc/95/27/47/1026952747.db2.gz UZBMCDGTDZLHIL-UHFFFAOYSA-N 2 0 395.547 3.519 20 10 GHCDRP COc1ccc(C[NH+]2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c(O)c1 ZINC001203622976 1027486190 /nfs/dbraw/zinc/48/61/90/1027486190.db2.gz HPCNHMHVQFNKOO-OAQYLSRUSA-N 2 0 396.531 3.656 20 10 GHCDRP CCOCc1cc(C[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)ccc1OC ZINC000841072689 1028091548 /nfs/dbraw/zinc/09/15/48/1028091548.db2.gz FKMRPJJDMUVROZ-RBBKRZOGSA-N 2 0 386.511 3.854 20 10 GHCDRP Nc1ccc(N(C(=O)C[C@@H]([NH3+])CCCC[NH3+])c2ccc3ccccc3c2N)cc1 ZINC001219476534 1031445200 /nfs/dbraw/zinc/44/52/00/1031445200.db2.gz CKHCWKLWHQUFRA-SFHVURJKSA-N 2 0 391.519 3.515 20 10 GHCDRP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2c(O)ccc3cc(Br)ccc32)CC1 ZINC001205582220 1033477874 /nfs/dbraw/zinc/47/78/74/1033477874.db2.gz XIWBKENGZBGUFK-GOSISDBHSA-N 2 0 381.289 3.961 20 10 GHCDRP Oc1cc(OCc2ccccc2)ccc1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001231466005 1034610174 /nfs/dbraw/zinc/61/01/74/1034610174.db2.gz KPDUIWFWQPBRLX-UHFFFAOYSA-N 2 0 375.472 3.688 20 10 GHCDRP Oc1ccc2cc(Br)ccc2c1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC001235104948 1040592722 /nfs/dbraw/zinc/59/27/22/1040592722.db2.gz YHFNHSHHACYBMK-UHFFFAOYSA-N 2 0 375.310 3.883 20 10 GHCDRP Clc1cc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)ccc1N1CCOCC1 ZINC001235243057 1040724371 /nfs/dbraw/zinc/72/43/71/1040724371.db2.gz VQJJCGIQCPFSRU-FQEVSTJZSA-N 2 0 377.960 3.531 20 10 GHCDRP CC(C)(C)c1ccc(C[N@@H+]2CCCn3cnc(C[NH2+]C4CCC4)c3C2)c(O)c1 ZINC001235560010 1040988286 /nfs/dbraw/zinc/98/82/86/1040988286.db2.gz TZTQAZXSWZSSNV-UHFFFAOYSA-N 2 0 382.552 3.934 20 10 GHCDRP CC1(C)C=Cc2c(O)c(C[N@@H+]3C[C@H]4C[NH2+]C[C@@]4(c4ccccc4)C3)ccc2O1 ZINC001236009258 1041500077 /nfs/dbraw/zinc/50/00/77/1041500077.db2.gz CTLWOFUSJIYTBF-DVECYGJZSA-N 2 0 376.500 3.549 20 10 GHCDRP CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001236238045 1041638357 /nfs/dbraw/zinc/63/83/57/1041638357.db2.gz XWNZCWZJZKUWOG-NNWRFLSQSA-N 2 0 399.579 3.571 20 10 GHCDRP COc1cc(C[N@@H+](Cc2ccc(F)cc2)CC2CC[NH2+]CC2)c(O)c(OC)c1 ZINC001236385268 1041693624 /nfs/dbraw/zinc/69/36/24/1041693624.db2.gz ROURBBPETNSGCE-UHFFFAOYSA-N 2 0 388.483 3.550 20 10 GHCDRP COc1cc(Br)cc(C[N@H+](CC(C)(C)C)C2CC[NH2+]CC2)c1O ZINC001236456913 1041720634 /nfs/dbraw/zinc/72/06/34/1041720634.db2.gz HYFOIXIQVBRGGZ-UHFFFAOYSA-N 2 0 385.346 3.763 20 10 GHCDRP COc1cc(O)c(C[N@H+](Cc2ccc(C)cc2)[C@H]2CC[C@H]([NH3+])CC2)c(OC)c1 ZINC001236723737 1041857440 /nfs/dbraw/zinc/85/74/40/1041857440.db2.gz XMTOUPVKBLUVHW-WGSAOQKQSA-N 2 0 384.520 3.990 20 10 GHCDRP COC(=O)Cc1ccc(C[N@H+](CC2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)c(O)c1 ZINC001236767565 1041880095 /nfs/dbraw/zinc/88/00/95/1041880095.db2.gz JSNPOXXYLYNRHV-MEMLXQNLSA-N 2 0 388.552 3.760 20 10 GHCDRP CCC(CC)[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1F)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236791627 1041896770 /nfs/dbraw/zinc/89/67/70/1041896770.db2.gz WKRISYCHXRRDAZ-XUTJKUGGSA-N 3 0 390.591 3.838 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc4scnc4c3)cc2F)CC1 ZINC001308252735 1049927529 /nfs/dbraw/zinc/92/75/29/1049927529.db2.gz WVOBBINVQIQLHU-UHFFFAOYSA-N 2 0 384.524 3.867 20 10 GHCDRP COc1ccc(CN2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c(O)c1OC ZINC001308759017 1050084787 /nfs/dbraw/zinc/08/47/87/1050084787.db2.gz ABFYONVWIPIDHJ-QHCPKHFHSA-N 2 0 382.504 3.507 20 10 GHCDRP Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001331383029 1051265212 /nfs/dbraw/zinc/26/52/12/1051265212.db2.gz ZUDHBLRPBIVKSC-QUCCMNQESA-N 2 0 380.532 3.866 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@H](c4nc5ccccc5[nH]4)C3)cc2)CC1 ZINC001337239229 1052431286 /nfs/dbraw/zinc/43/12/86/1052431286.db2.gz NGWJKZXOSAZKOH-FQEVSTJZSA-N 2 0 389.547 3.694 20 10 GHCDRP CN1CCN(c2ccc(C[N@@H+]3CCCO[C@@H](c4ccccc4)C3)cc2F)CC1 ZINC001319702748 1055410121 /nfs/dbraw/zinc/41/01/21/1055410121.db2.gz SHLZYNBGCVVLGN-HSZRJFAPSA-N 2 0 383.511 3.541 20 10 GHCDRP CCc1cccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c1O ZINC000848914925 1057418430 /nfs/dbraw/zinc/41/84/30/1057418430.db2.gz VKXGUNMFGYOWMQ-QHCPKHFHSA-N 2 0 394.559 3.973 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCOC4(CCCC4)C3)cc2F)CC1 ZINC001473983242 1074225717 /nfs/dbraw/zinc/22/57/17/1074225717.db2.gz WKXPFMQFYAXVGA-LJQANCHMSA-N 2 0 375.532 3.549 20 10 GHCDRP CCN(Cc1ccccc1)c1ccc(C[NH2+]C[C@H](C)N2CC[NH+](CC)CC2)cc1 ZINC000236973086 845296021 /nfs/dbraw/zinc/29/60/21/845296021.db2.gz FVRKNPBOBLSPTD-QFIPXVFZSA-N 2 0 394.607 3.829 20 10 GHCDRP Cc1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)c(O)c1C ZINC000273469156 847347266 /nfs/dbraw/zinc/34/72/66/847347266.db2.gz FHFQQTFHTFJSPX-NQIIRXRSSA-N 2 0 395.547 3.557 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3ccc(N(C)C)cc3)cc2F)CC1 ZINC000765850861 855657216 /nfs/dbraw/zinc/65/72/16/855657216.db2.gz CBYKFOFANCZGFO-GOSISDBHSA-N 2 0 384.543 3.884 20 10 GHCDRP CCc1cccc(C[N@@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)c1O ZINC000856557798 881407651 /nfs/dbraw/zinc/40/76/51/881407651.db2.gz BYOBWTGXELAEAL-JOCHJYFZSA-N 2 0 383.536 3.843 20 10 GHCDRP C[N@@H+]1CCC[C@@H](N2CC[NH+](Cc3cc4oc5ccccc5c4cc3O)CC2)C1 ZINC000738210623 865502980 /nfs/dbraw/zinc/50/29/80/865502980.db2.gz CWZWHKZGBSHXQX-GOSISDBHSA-N 2 0 379.504 3.503 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[N@H+]3CC=C(c4c[nH]c5ncccc45)CC3)cc2)CC1 ZINC000775648486 872309953 /nfs/dbraw/zinc/30/99/53/872309953.db2.gz VLHGYUGGMQWHTR-UHFFFAOYSA-N 2 0 387.531 3.604 20 10 GHCDRP CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775651298 872343863 /nfs/dbraw/zinc/34/38/63/872343863.db2.gz MFWRLXSREPXKPJ-UHFFFAOYSA-N 2 0 382.508 3.757 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@H]3CC(=O)c3ccccc3)cc2)CC1 ZINC000775720995 873144024 /nfs/dbraw/zinc/14/40/24/873144024.db2.gz ROXFZTYMACAFDY-HSZRJFAPSA-N 2 0 377.532 3.676 20 10 GHCDRP C[C@H]1C[N@H+](Cc2cc(-c3ccccc3)ccc2O)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000769528341 874135313 /nfs/dbraw/zinc/13/53/13/874135313.db2.gz VRIJLFZNJHHUGP-CVDCTZTESA-N 2 0 379.548 3.517 20 10 GHCDRP C[C@H]1C[N@H+](CCC[NH2+]Cc2ccc3c(c2)CCN3Cc2ccccc2)CCCO1 ZINC001201971282 875958581 /nfs/dbraw/zinc/95/85/81/875958581.db2.gz MHVRAZGRQDSLAZ-NRFANRHFSA-N 2 0 393.575 3.840 20 10 GHCDRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)C2)CC1 ZINC000809757013 887799342 /nfs/dbraw/zinc/79/93/42/887799342.db2.gz VSYHZDHWBQQFRB-HXUWFJFHSA-N 2 0 386.540 3.749 20 10 GHCDRP CCc1cc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000763338029 888522721 /nfs/dbraw/zinc/52/27/21/888522721.db2.gz OLLGHNSOMRGCQY-XMSQKQJNSA-N 2 0 387.612 3.710 20 10 GHCDRP CCc1cc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000763338025 888523073 /nfs/dbraw/zinc/52/30/73/888523073.db2.gz OLLGHNSOMRGCQY-PGRDOPGGSA-N 2 0 387.612 3.710 20 10 GHCDRP CCOc1cccc(C[NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)c1O ZINC000125503304 892716016 /nfs/dbraw/zinc/71/60/16/892716016.db2.gz YLKBKQVMSMLENG-UHFFFAOYSA-N 2 0 395.547 3.613 20 10 GHCDRP C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000778643622 897841982 /nfs/dbraw/zinc/84/19/82/897841982.db2.gz UUFBAFTWMAFLOK-NFBKMPQASA-N 2 0 379.548 3.523 20 10 GHCDRP CN(Cc1cccs1)c1ccc(C[NH2+]C2CCN(CC[NH+](C)C)CC2)cc1 ZINC000823645842 899157348 /nfs/dbraw/zinc/15/73/48/899157348.db2.gz UCFTWYYNVQWRCL-UHFFFAOYSA-N 2 0 386.609 3.500 20 10 GHCDRP CN(C)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c(C(F)(F)F)c1 ZINC000844909390 901568641 /nfs/dbraw/zinc/56/86/41/901568641.db2.gz BCWQBWLRFYROOQ-IPELMVKDSA-N 2 0 385.474 3.632 20 10 GHCDRP C[NH+]1CCN(c2ccc(CNc3cccc(CC[NH+]4CCCC4)c3)cc2)CC1 ZINC001178204582 908939388 /nfs/dbraw/zinc/93/93/88/908939388.db2.gz JCIQPMRLPNAXDC-UHFFFAOYSA-N 2 0 378.564 3.689 20 10 GHCDRP COc1cc(O)c(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)cc1OC ZINC000827620618 925842369 /nfs/dbraw/zinc/84/23/69/925842369.db2.gz HIWZRSRQBUTISB-FQEVSTJZSA-N 2 0 396.531 3.801 20 10 GHCDRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000751146477 928049500 /nfs/dbraw/zinc/04/95/00/928049500.db2.gz HMKMMVSXFRPWFY-NFBKMPQASA-N 2 0 379.548 3.666 20 10 GHCDRP CN(C)c1ccc(CN2CCC([N@H+](C)C3CCOCC3)CC2)c2ccccc21 ZINC001204240130 1032683340 /nfs/dbraw/zinc/68/33/40/1032683340.db2.gz ISJSOIBBZAKMHK-UHFFFAOYSA-N 2 0 381.564 3.981 20 10 GHCDRP COc1cccc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccc(O)c(C)c2O)CC3)c1 ZINC001140748047 1022422237 /nfs/dbraw/zinc/42/22/37/1022422237.db2.gz DZJLKYZVIMGIEO-UHFFFAOYSA-N 2 0 396.531 3.903 20 10 GHCDRP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CC[NH+](Cc1ccc(C)cc1O)CC2 ZINC001140952573 1022981295 /nfs/dbraw/zinc/98/12/95/1022981295.db2.gz XSZAHHLIKWCJAQ-JOCHJYFZSA-N 2 0 395.547 3.599 20 10 GHCDRP C[C@H]1C[C@H]([NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)c2c1c(F)ccc2O ZINC000756434728 1023647637 /nfs/dbraw/zinc/64/76/37/1023647637.db2.gz OZLTWCLBHSCIKH-JXFKEZNVSA-N 2 0 383.511 3.617 20 10 GHCDRP Oc1ccc(O)c(C[NH+]2CCC(OC3CC[NH+](Cc4ccccc4)CC3)CC2)c1 ZINC001141162615 1023987807 /nfs/dbraw/zinc/98/78/07/1023987807.db2.gz XMJKELYPJQOKCP-UHFFFAOYSA-N 2 0 396.531 3.743 20 10 GHCDRP Cc1ccc(C)c(C[NH+]2CCC3(C[C@H]([N@H+](C)Cc4ccccn4)CO3)CC2)c1O ZINC001140179512 1026952682 /nfs/dbraw/zinc/95/26/82/1026952682.db2.gz FVTVPVXNMWYAJY-NRFANRHFSA-N 2 0 395.547 3.660 20 10 GHCDRP Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000840931991 1027967239 /nfs/dbraw/zinc/96/72/39/1027967239.db2.gz LZHKPMALYQIZPM-SFHVURJKSA-N 2 0 384.543 3.803 20 10 GHCDRP [NH3+]CC1(c2ccccc2)CC[NH+](Cc2cccc(OC(F)(F)F)c2O)CC1 ZINC001206756070 1033970423 /nfs/dbraw/zinc/97/04/23/1033970423.db2.gz VHRJJUCRQCWNGZ-UHFFFAOYSA-N 2 0 380.410 3.783 20 10 GHCDRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1ccc(OCc2ccccc2)cc1O ZINC001231469707 1034615817 /nfs/dbraw/zinc/61/58/17/1034615817.db2.gz KTUFYUOBJDJXBB-UHFFFAOYSA-N 2 0 399.579 3.677 20 10 GHCDRP CC[NH+]1CCC(C[NH+]2CCN(c3ccc(OCc4cccnc4)cc3)CC2)CC1 ZINC001208604086 1034952482 /nfs/dbraw/zinc/95/24/82/1034952482.db2.gz LATBKFSKVBELBB-UHFFFAOYSA-N 2 0 394.563 3.515 20 10 GHCDRP Oc1ccc(Br)cc1C[NH2+][C@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246311161 1037290623 /nfs/dbraw/zinc/29/06/23/1037290623.db2.gz KNGXYZUQDYFNLD-ZWKOTPCHSA-N 2 0 375.310 3.608 20 10 GHCDRP COc1cc(O)c(CN2C[C@@H]3C[N@@H+](Cc4ccc(C)cc4)C[C@@H]3C2)cc1Cl ZINC001232269059 1037992420 /nfs/dbraw/zinc/99/24/20/1037992420.db2.gz ZYVJOGUASFZIAQ-KDURUIRLSA-N 2 0 386.923 3.926 20 10 GHCDRP COC(=O)c1c(C[NH+]2CCC(C3CC[NH+](C)CC3)CC2)c2ccccc2n1C ZINC001232404934 1038186913 /nfs/dbraw/zinc/18/69/13/1038186913.db2.gz DOGLZUDAGHIADW-UHFFFAOYSA-N 2 0 383.536 3.519 20 10 GHCDRP CN(C)c1ccc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)c(O)c1 ZINC001232842278 1038592764 /nfs/dbraw/zinc/59/27/64/1038592764.db2.gz UWIXZDHNIJRGNP-SFTDATJTSA-N 2 0 379.548 3.802 20 10 GHCDRP Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2[NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC001252950409 1039293061 /nfs/dbraw/zinc/29/30/61/1039293061.db2.gz BDBHJHVCMHRGHM-ILBGXUMGSA-N 2 0 394.559 3.859 20 10 GHCDRP Clc1cc(N2CCOCC2)ccc1C[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235236969 1040716947 /nfs/dbraw/zinc/71/69/47/1040716947.db2.gz IIOARBIZIQWMHO-NRFANRHFSA-N 2 0 377.960 3.531 20 10 GHCDRP CCN(CC)c1ccc(C[N@@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)c(O)c1 ZINC001235366658 1040859559 /nfs/dbraw/zinc/85/95/59/1040859559.db2.gz DWWYPLDDKMUAQQ-WIOPSUGQSA-N 2 0 393.575 3.992 20 10 GHCDRP COCCC[N@H+](Cc1cc(OCc2ccccc2)ccc1O)C1CC[NH2+]CC1 ZINC001235939566 1041446328 /nfs/dbraw/zinc/44/63/28/1041446328.db2.gz FUZCQUHJCMCVLH-UHFFFAOYSA-N 2 0 384.520 3.562 20 10 GHCDRP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccc(N3CCOCC3)cc2F)CC2CCC2)CC1 ZINC001236541772 1041756372 /nfs/dbraw/zinc/75/63/72/1041756372.db2.gz KKIJGOPXQYXGAY-MXVIHJGJSA-N 2 0 375.532 3.534 20 10 GHCDRP COc1cc(C[N@H+](Cc2ccc(C)cc2)[C@H]2CC[C@H]([NH3+])CC2)c(O)c(OC)c1 ZINC001236725805 1041858426 /nfs/dbraw/zinc/85/84/26/1041858426.db2.gz CGUITEDMDNMGJZ-MXVIHJGJSA-N 2 0 384.520 3.990 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@H](OCc4ccccc4)C3)c(F)c2)CC1 ZINC001236941624 1041966219 /nfs/dbraw/zinc/96/62/19/1041966219.db2.gz DYUNFNXNZKVAES-HSZRJFAPSA-N 2 0 397.538 3.759 20 10 GHCDRP COc1ccccc1C[C@@H](C)[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236943771 1041966305 /nfs/dbraw/zinc/96/63/05/1041966305.db2.gz VJNMWZGZKAIVCV-GOSISDBHSA-N 2 0 385.527 3.649 20 10 GHCDRP COc1cc(O)c(C[NH+]2CCC(C3CC[NH+](C)CC3)CC2)c(Br)c1 ZINC001237072835 1042022547 /nfs/dbraw/zinc/02/25/47/1042022547.db2.gz LCBIDWDDTZFEHS-UHFFFAOYSA-N 2 0 397.357 3.717 20 10 GHCDRP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(Cc1cc(C(F)(F)F)ccc1O)C2 ZINC001237134859 1042056638 /nfs/dbraw/zinc/05/66/38/1042056638.db2.gz CDXXLMNXSAZCHB-ICSRJNTNSA-N 2 0 398.469 3.591 20 10 GHCDRP FC(F)(F)Oc1ccc(N2CC[NH+](Cc3ccc4c(c3)C[NH2+]C4)CC2)cc1 ZINC001237205337 1042090664 /nfs/dbraw/zinc/09/06/64/1042090664.db2.gz KMRJUCTYIGLSQA-UHFFFAOYSA-N 2 0 377.410 3.511 20 10 GHCDRP C[N@H+](CCc1ccc(C(F)(F)F)cc1)Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001237266170 1042114257 /nfs/dbraw/zinc/11/42/57/1042114257.db2.gz UWWCONZSIQNVST-UHFFFAOYSA-N 2 0 377.454 3.790 20 10 GHCDRP CN(C)c1cc(F)c(C[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)cc1F ZINC001329729718 1050895049 /nfs/dbraw/zinc/89/50/49/1050895049.db2.gz AIBCLGVDAMPBIS-UHFFFAOYSA-N 2 0 389.490 3.794 20 10 GHCDRP C[C@H]1C[C@@H]([NH2+]Cc2cccc(CN3CC[NH+](C)CC3)c2)c2c1c(F)ccc2O ZINC001320125023 1055665046 /nfs/dbraw/zinc/66/50/46/1055665046.db2.gz PPIYTKDIRQXCMH-OXJNMPFZSA-N 2 0 383.511 3.617 20 10 GHCDRP Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC001321023080 1056061243 /nfs/dbraw/zinc/06/12/43/1056061243.db2.gz KHPXUFMQKFPJNV-UTKZUKDTSA-N 2 0 380.532 3.995 20 10 GHCDRP C[C@@H]1C[N@@H+](Cc2ccc(C[NH+](C)Cc3ccc(N(C)C)cc3)cc2)C[C@H](C)O1 ZINC001473598908 1074040643 /nfs/dbraw/zinc/04/06/43/1074040643.db2.gz XPRNBIULKIBPLC-BGYRXZFFSA-N 2 0 381.564 3.994 20 10 GHCDRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC001474234040 1074302818 /nfs/dbraw/zinc/30/28/18/1074302818.db2.gz IQWYMUDGSZAEHA-UGKGYDQZSA-N 2 0 397.538 3.520 20 10 GHCDRP COc1ccc(CNc2ccc(N3CCC(C[NH+](C)C)CC3)cc2)c(O)c1OC ZINC000892380082 834536139 /nfs/dbraw/zinc/53/61/39/834536139.db2.gz MHMHDMGOTZZNLF-UHFFFAOYSA-N 2 0 399.535 3.800 20 10 GHCDRP COc1cc(O)c(C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)cc1OC ZINC000160424553 839058101 /nfs/dbraw/zinc/05/81/01/839058101.db2.gz OLJBIHUSYBXBRS-QGZVFWFLSA-N 2 0 376.541 3.886 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3cc(F)ccc3O)cc2F)CC1 ZINC000185393829 866053909 /nfs/dbraw/zinc/05/39/09/866053909.db2.gz YIDSTTDBVJXTPQ-HNNXBMFYSA-N 2 0 375.463 3.663 20 10 GHCDRP COCC[N@H+](C)CCCC1CC[NH+](Cc2cc(C(C)(C)C)cc(O)c2O)CC1 ZINC000766377397 870663358 /nfs/dbraw/zinc/66/33/58/870663358.db2.gz BNSSPOHKVBLRAJ-UHFFFAOYSA-N 2 0 392.584 3.966 20 10 GHCDRP Oc1cc(OCc2ccccc2)ccc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000182988801 873088611 /nfs/dbraw/zinc/08/86/11/873088611.db2.gz QTUVDQQFGLYHHP-UHFFFAOYSA-N 2 0 396.531 3.515 20 10 GHCDRP CCCN(CCC)c1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1 ZINC000769523656 874130751 /nfs/dbraw/zinc/13/07/51/874130751.db2.gz CLVWGQUDNXIZLI-URXFXBBRSA-N 2 0 386.628 3.771 20 10 GHCDRP CC[NH+](CC)Cc1ccc(C(=O)Nc2cccc(N3CC[NH+](CC)CC3)c2)cc1 ZINC000770154143 874517678 /nfs/dbraw/zinc/51/76/78/874517678.db2.gz NFSGPRAVZLAUSM-UHFFFAOYSA-N 2 0 394.563 3.923 20 10 GHCDRP C[NH+](C)[C@@H](CNC(=O)C[N@H+](Cc1ccccc1O)C1CCCC1)c1ccccc1 ZINC000771761357 875469158 /nfs/dbraw/zinc/46/91/58/875469158.db2.gz KRXVQCUSYNLCFW-QFIPXVFZSA-N 2 0 395.547 3.556 20 10 GHCDRP C[NH+]1CCN(c2ccc(CNc3cccc(C[NH+]4CCSCC4)c3)cc2)CC1 ZINC001201097670 875497165 /nfs/dbraw/zinc/49/71/65/875497165.db2.gz UNRHWAYCHVJCBF-UHFFFAOYSA-N 2 0 396.604 3.599 20 10 GHCDRP C[NH+]1CCN(c2cc(Nc3ccc(CCc4ccc(N)cc4)cc3)cc[nH+]2)CC1 ZINC001201666680 875804578 /nfs/dbraw/zinc/80/45/78/875804578.db2.gz VQRXWUPOGSJOGN-UHFFFAOYSA-N 2 0 387.531 3.944 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCCc4c(O)cccc43)cc2F)CC1 ZINC000788594958 878192089 /nfs/dbraw/zinc/19/20/89/878192089.db2.gz POGAKHASOMXQEC-NRFANRHFSA-N 2 0 383.511 3.840 20 10 GHCDRP Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2ccncc2OCCC[NH+](C)C)c1O ZINC000808719755 886703836 /nfs/dbraw/zinc/70/38/36/886703836.db2.gz IWWSGCKJOLBNTD-OAHLLOKOSA-N 2 0 377.916 3.930 20 10 GHCDRP CCN(CC)c1ccc(C[NH2+]Cc2ccc(CN3CC[NH+](CC)CC3)cc2)cc1 ZINC000915680958 887315599 /nfs/dbraw/zinc/31/55/99/887315599.db2.gz VBAQAKQLEGUUQF-UHFFFAOYSA-N 2 0 394.607 3.960 20 10 GHCDRP C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)cc2F)C[C@@H](C)O1 ZINC000817888624 895931056 /nfs/dbraw/zinc/93/10/56/895931056.db2.gz NRIMHNYKQJEORT-HUEXKOPYSA-N 2 0 389.559 3.840 20 10 GHCDRP C[C@@H]([NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)c1ccc(N2CCOCC2)cc1 ZINC000155301435 898587385 /nfs/dbraw/zinc/58/73/85/898587385.db2.gz YNGJGJSENBBFFA-UXHICEINSA-N 2 0 397.563 3.875 20 10 GHCDRP CN(Cc1cccs1)c1ccc(C[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000823842837 899274127 /nfs/dbraw/zinc/27/41/27/899274127.db2.gz RSNARABPXIWAHP-FQEVSTJZSA-N 2 0 398.620 3.643 20 10 GHCDRP [NH3+]CCCC[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1F ZINC000902327079 922091748 /nfs/dbraw/zinc/09/17/48/922091748.db2.gz CZTRHFUBHNBEEM-JOCHJYFZSA-N 2 0 389.490 3.761 20 10 GHCDRP Oc1ccc2c(ccc(O)c2C[N@@H+]2CC[C@H](CF)C2)c1C[NH+]1CC[C@H](CF)C1 ZINC000902367599 922131046 /nfs/dbraw/zinc/13/10/46/922131046.db2.gz CNTVOQWQQLWDAM-HZPDHXFCSA-N 2 0 390.474 3.834 20 10 GHCDRP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)c2c1c(F)ccc2O ZINC000757640331 929755058 /nfs/dbraw/zinc/75/50/58/929755058.db2.gz RZUVCZJZOCVIEC-BPAFIMBUSA-N 2 0 384.495 3.826 20 10 GHCDRP CC[C@@](C)(O)C[N@H+](Cc1ccccc1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000784671411 931973466 /nfs/dbraw/zinc/97/34/66/931973466.db2.gz SSDLQZCFTUYLNQ-XMMPIXPASA-N 2 0 381.564 3.602 20 10 GHCDRP CC[C@](C)(O)C[N@H+](Cc1ccccc1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000784671403 931973767 /nfs/dbraw/zinc/97/37/67/931973767.db2.gz SSDLQZCFTUYLNQ-DEOSSOPVSA-N 2 0 381.564 3.602 20 10 GHCDRP c1cn(-c2cc[nH+]c(N3CCCC4=C[C@H]5C[C@H](C[N@H+]6CCCC[C@H]56)[C@@H]43)c2)cn1 ZINC001155640351 1032615997 /nfs/dbraw/zinc/61/59/97/1032615997.db2.gz AGJIAUWGOFLUFG-KLJZETAQSA-N 2 0 375.520 3.667 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[N@H+](C)Cc3ncccc3C(F)(F)F)cc2)CC1 ZINC001140302678 1021352987 /nfs/dbraw/zinc/35/29/87/1021352987.db2.gz XMPJGUYZCXREFW-UHFFFAOYSA-N 2 0 392.469 3.874 20 10 GHCDRP COc1cc(C[NH+]2CCC(n3ncc4ccccc43)CC2)cc(C[NH+](C)C)c1O ZINC001139257377 1026108002 /nfs/dbraw/zinc/10/80/02/1026108002.db2.gz AQLSVKYMPXDINP-UHFFFAOYSA-N 2 0 394.519 3.649 20 10 GHCDRP O=C(c1ccccn1)c1cc(Cl)ccc1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210270422 1027418575 /nfs/dbraw/zinc/41/85/75/1027418575.db2.gz BDWSIUHZHWYBKP-UHFFFAOYSA-N 2 0 393.878 3.514 20 10 GHCDRP CCN(CC)c1ccc(C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COC)C2)cc1 ZINC001203940444 1027736559 /nfs/dbraw/zinc/73/65/59/1027736559.db2.gz ZCYYRJAKEDLOAU-VWNXMTODSA-N 2 0 385.596 3.713 20 10 GHCDRP Oc1cc(OCC(F)(F)F)ccc1C[N@@H+]1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222614594 1030237932 /nfs/dbraw/zinc/23/79/32/1030237932.db2.gz HJLIDXBFAZETIP-GOSISDBHSA-N 2 0 392.421 3.522 20 10 GHCDRP C[NH2+][C@@H](CCCC[NH3+])C(=O)Nc1ccc(/C=C/c2ccc(N(C)C)cc2)cc1 ZINC001219203285 1031303653 /nfs/dbraw/zinc/30/36/53/1031303653.db2.gz CLLIYBXPHRPBPX-DORXLWPQSA-N 2 0 380.536 3.579 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH2+]CCCc3c(F)cccc3Cl)cc2)CC1 ZINC001207326522 1034275407 /nfs/dbraw/zinc/27/54/07/1034275407.db2.gz PODGRZUWZNUQDX-UHFFFAOYSA-N 2 0 375.919 3.953 20 10 GHCDRP Oc1cc(Br)ccc1C[NH2+][C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246343236 1037304680 /nfs/dbraw/zinc/30/46/80/1037304680.db2.gz KDEVLHQOKNQCPN-MSOLQXFVSA-N 2 0 375.310 3.608 20 10 GHCDRP CN(C)c1ccc(C[NH+]2CCC3(CC[C@H]3[N@H+](C)Cc3ccco3)CC2)c(O)c1 ZINC001232838826 1038589770 /nfs/dbraw/zinc/58/97/70/1038589770.db2.gz MMDGICGSECMAGS-JOCHJYFZSA-N 2 0 383.536 3.928 20 10 GHCDRP Oc1cc(OCc2ccccc2)ccc1C[N@@H+]1CC[C@@]2(C1)C[NH2+]CCC2(F)F ZINC001235087489 1040576460 /nfs/dbraw/zinc/57/64/60/1040576460.db2.gz HGZNUYNRCXBFKX-NRFANRHFSA-N 2 0 388.458 3.792 20 10 GHCDRP Cc1ccc2c(c1)C1(CC2)CC[NH+](Cc2ccc(N3CC[NH2+]CC3)cc2)CC1 ZINC001235606453 1041021384 /nfs/dbraw/zinc/02/13/84/1041021384.db2.gz GUGGYSKWDNYDEN-UHFFFAOYSA-N 2 0 375.560 3.885 20 10 GHCDRP Oc1cc2c(cc1C[N@@H+]1CCC[C@@H](Oc3ccc(Cl)cc3)C1)C[NH2+]CCO2 ZINC001235973942 1041479292 /nfs/dbraw/zinc/47/92/92/1041479292.db2.gz QDELZQMMDICWTD-LJQANCHMSA-N 2 0 388.895 3.571 20 10 GHCDRP CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001236238044 1041639300 /nfs/dbraw/zinc/63/93/00/1041639300.db2.gz XWNZCWZJZKUWOG-HJNYFJLDSA-N 2 0 399.579 3.571 20 10 GHCDRP COc1ccc(Br)c(C[N@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)c1O ZINC001236375558 1041687648 /nfs/dbraw/zinc/68/76/48/1041687648.db2.gz KQEQVKJGLBONBQ-AWEZNQCLSA-N 2 0 397.357 3.908 20 10 GHCDRP Oc1cc(O)c(C[N@@H+](Cc2ccc(F)cc2)CC2CC[NH2+]CC2)cc1Cl ZINC001236384807 1041692615 /nfs/dbraw/zinc/69/26/15/1041692615.db2.gz DPYNMRAPCFAANM-UHFFFAOYSA-N 2 0 378.875 3.892 20 10 GHCDRP CCOCC[N@H+](Cc1ccc(OCc2ccccc2)cc1O)C1CC[NH2+]CC1 ZINC001236460878 1041723221 /nfs/dbraw/zinc/72/32/21/1041723221.db2.gz HHWXVLJLUYWJMH-UHFFFAOYSA-N 2 0 384.520 3.562 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@H](OCc4ccccc4)C3)c(F)c2)CC1 ZINC001236941626 1041966023 /nfs/dbraw/zinc/96/60/23/1041966023.db2.gz DYUNFNXNZKVAES-QHCPKHFHSA-N 2 0 397.538 3.759 20 10 GHCDRP Cc1cccc(OC2CC[NH+](Cc3ccc(N4CC[NH+](C)CC4)cc3F)CC2)c1 ZINC001236943982 1041966114 /nfs/dbraw/zinc/96/61/14/1041966114.db2.gz YCCUVAUWPPDQAA-UHFFFAOYSA-N 2 0 397.538 3.929 20 10 GHCDRP Oc1ccc(F)c(Cl)c1C[NH+]1CCC2(CC1)CN(Cc1ccoc1)CCO2 ZINC001237124319 1042051706 /nfs/dbraw/zinc/05/17/06/1042051706.db2.gz OCYDABRJQANMHU-UHFFFAOYSA-N 2 0 394.874 3.645 20 10 GHCDRP COc1cc(C[NH+]2CCC3(C[NH+](Cc4ccccc4)C3)CC2)c(O)c(OC)c1 ZINC001237678039 1042319208 /nfs/dbraw/zinc/31/92/08/1042319208.db2.gz JKYFBNYJZANISE-UHFFFAOYSA-N 2 0 382.504 3.507 20 10 GHCDRP CCOC(=O)CCC[C@H](C)[NH2+][C@H](c1ccccc1O)[C@H](N)c1ccccc1O ZINC001258111291 1044399321 /nfs/dbraw/zinc/39/93/21/1044399321.db2.gz HODJPOMWGYUAOC-ITEAAPOESA-N 2 0 386.492 3.550 20 10 GHCDRP COc1cc(C)c(C[N@@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)c(O)c1 ZINC001474642413 1074495523 /nfs/dbraw/zinc/49/55/23/1074495523.db2.gz NWRBDHXPSOLOFJ-HXUWFJFHSA-N 2 0 399.535 3.598 20 10 GHCDRP COc1ccc(N2CCC([NH2+][C@@H](C)c3ccc(OCC[NH+](C)C)cc3)CC2)cc1 ZINC000157352861 841881002 /nfs/dbraw/zinc/88/10/02/841881002.db2.gz UQUYTFICIPFLEA-IBGZPJMESA-N 2 0 397.563 3.955 20 10 GHCDRP Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1cccc2c1NC(=O)C21CC[NH2+]CC1 ZINC001169691843 871762348 /nfs/dbraw/zinc/76/23/48/871762348.db2.gz RXHRDRQQTXTVKO-GOSISDBHSA-N 2 0 376.504 3.500 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCCCC[C@H]3C[C@@H](O)c3ccco3)cc2)CC1 ZINC000775738167 873321713 /nfs/dbraw/zinc/32/17/13/873321713.db2.gz USNQXUSQEUMLJG-XZOQPEGZSA-N 2 0 397.563 3.900 20 10 GHCDRP CCCN(CCC)c1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1 ZINC000769523658 874130577 /nfs/dbraw/zinc/13/05/77/874130577.db2.gz CLVWGQUDNXIZLI-ZJSXRUAMSA-N 2 0 386.628 3.771 20 10 GHCDRP CCCCOc1ccc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)cc1OC ZINC001199286531 874888165 /nfs/dbraw/zinc/88/81/65/874888165.db2.gz QIIWMNOIECRNTO-UHFFFAOYSA-N 2 0 397.563 3.916 20 10 GHCDRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000850406557 876888541 /nfs/dbraw/zinc/88/85/41/876888541.db2.gz LFRXAXXABNYTBI-OFNKIYASSA-N 2 0 393.575 3.790 20 10 GHCDRP COC[C@H](c1ccc(Cl)cc1)[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000787333628 877323047 /nfs/dbraw/zinc/32/30/47/877323047.db2.gz WUEUJJCNUAADIE-JOCHJYFZSA-N 2 0 387.955 3.911 20 10 GHCDRP Cc1cc(C)c([C@@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)c(O)c1 ZINC000788640594 878232281 /nfs/dbraw/zinc/23/22/81/878232281.db2.gz BIMBEKCYQIQSRO-LJQANCHMSA-N 2 0 395.547 3.685 20 10 GHCDRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H](C)c2c(C)cc(C)cc2O)CC1 ZINC000815561031 894000837 /nfs/dbraw/zinc/00/08/37/894000837.db2.gz WJHCCNKWWBEOMN-HXUWFJFHSA-N 2 0 381.564 3.997 20 10 GHCDRP C[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)c1ccccc1O ZINC000815646712 894093060 /nfs/dbraw/zinc/09/30/60/894093060.db2.gz QEAQSOJKLFXGRH-TZIWHRDSSA-N 2 0 380.532 3.972 20 10 GHCDRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000817903738 895956141 /nfs/dbraw/zinc/95/61/41/895956141.db2.gz ULSKTXWXYKNLJZ-KKSFZXQISA-N 2 0 389.490 3.805 20 10 GHCDRP c1cc(N2CC[NH+](CC3CC3)CC2)ccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000817917817 895960573 /nfs/dbraw/zinc/96/05/73/895960573.db2.gz STRGMODYURIPCV-UBFVSLLYSA-N 3 0 396.623 3.619 20 10 GHCDRP CN(Cc1cccs1)c1ccc(C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)cc1 ZINC000823637487 899147890 /nfs/dbraw/zinc/14/78/90/899147890.db2.gz LVYPXOXQIDGTSB-UHFFFAOYSA-N 2 0 386.609 3.500 20 10 GHCDRP Oc1cc(Br)ccc1C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000825216184 900031439 /nfs/dbraw/zinc/03/14/39/900031439.db2.gz ZISTYXCEPBDYOC-QGZVFWFLSA-N 2 0 389.337 3.809 20 10 GHCDRP C[C@H]1C[C@H](NC2CC[NH+](Cc3ccccc3O)CC2)C[N@@H+]1Cc1ccccc1 ZINC001171733100 904961186 /nfs/dbraw/zinc/96/11/86/904961186.db2.gz IIXOFNKPTUAZOX-CVDCTZTESA-N 2 0 379.548 3.609 20 10 GHCDRP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1ccc(NC(=O)C2CC2)cc1 ZINC001177186220 908463776 /nfs/dbraw/zinc/46/37/76/908463776.db2.gz IVYJIIKDOJXQKI-GOSISDBHSA-N 2 0 392.547 3.638 20 10 GHCDRP COc1ccc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)c(O)c1OC ZINC001180224938 910023169 /nfs/dbraw/zinc/02/31/69/910023169.db2.gz LGOUBZNYRXJZEE-QGZVFWFLSA-N 2 0 376.541 3.886 20 10 GHCDRP C[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000246867437 910716168 /nfs/dbraw/zinc/71/61/68/910716168.db2.gz DFVFBRUIHSDSET-RBUKOAKNSA-N 2 0 377.548 3.968 20 10 GHCDRP Oc1ccc2c(ccc(O)c2C[N@@H+]2CC[C@@H](CF)C2)c1C[NH+]1CC[C@H](CF)C1 ZINC000902367600 922130893 /nfs/dbraw/zinc/13/08/93/922130893.db2.gz CNTVOQWQQLWDAM-IYBDPMFKSA-N 2 0 390.474 3.834 20 10 GHCDRP CN1CC[NH+](CC2(C)CC[NH+](Cc3ccc(N4CCCCC4)cc3)CC2)CC1 ZINC000757964041 929872999 /nfs/dbraw/zinc/87/29/99/929872999.db2.gz IWLYEXJQKMHOJJ-UHFFFAOYSA-N 2 0 384.612 3.526 20 10 GHCDRP COc1cccc(C[NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)c1F ZINC000800258424 1021298811 /nfs/dbraw/zinc/29/88/11/1021298811.db2.gz WLHNGCCVWAZKFV-UHFFFAOYSA-N 2 0 383.511 3.656 20 10 GHCDRP COc1ccc(O)c([C@@H](C)[NH2+]CCCC[NH+]2CCN(c3cccc(C)c3)CC2)c1 ZINC000756380315 1023620605 /nfs/dbraw/zinc/62/06/05/1023620605.db2.gz HAUSWQRHVDBZLU-HXUWFJFHSA-N 2 0 397.563 3.962 20 10 GHCDRP c1nc2n(c1C[NH+]1CCCC1)CC[N@@H+](Cc1ccc(N3CCCCC3)cc1)CC2 ZINC001138216734 1024385926 /nfs/dbraw/zinc/38/59/26/1024385926.db2.gz JDRJMBGJTVSGFD-UHFFFAOYSA-N 2 0 393.579 3.528 20 10 GHCDRP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138339535 1024700511 /nfs/dbraw/zinc/70/05/11/1024700511.db2.gz HEHLRCZNRSNPLN-LEWJYISDSA-N 2 0 383.580 3.930 20 10 GHCDRP Cc1ccc(C)c(C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3CC3CC3)C2)c1O ZINC001140181356 1026954441 /nfs/dbraw/zinc/95/44/41/1026954441.db2.gz TUBVRYLWXYPXSI-GIWBLDEGSA-N 2 0 394.563 3.581 20 10 GHCDRP Cc1cccc(N2CCC[N@H+](Cc3cc(Br)ccc3O)CC2)n1 ZINC001203645416 1027501989 /nfs/dbraw/zinc/50/19/89/1027501989.db2.gz HTHNIAUTFNGWJS-UHFFFAOYSA-N 2 0 376.298 3.570 20 10 GHCDRP C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208935164 1035100300 /nfs/dbraw/zinc/10/03/00/1035100300.db2.gz IRLJKCXNQUSMQI-DEOSSOPVSA-N 2 0 393.575 3.867 20 10 GHCDRP CC[NH+]1CCN(c2ccc(OC3CC[NH+](Cc4ccccc4)CC3)cc2)CC1 ZINC001234657544 1040194036 /nfs/dbraw/zinc/19/40/36/1040194036.db2.gz DSLXACQRSVFKAS-UHFFFAOYSA-N 2 0 379.548 3.872 20 10 GHCDRP CN1CCCc2cc(C[N@@H+]3CC[C@]4(c5ccccc5)CC[NH2+]C[C@@H]4C3)ccc21 ZINC001235360406 1040844299 /nfs/dbraw/zinc/84/42/99/1040844299.db2.gz BVMXBWXDECSMTA-NOZRDPDXSA-N 2 0 375.560 3.822 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3CCN[C@@H](c4ccc(Cl)cc4)C3)cc2)CC1 ZINC001235792815 1041287628 /nfs/dbraw/zinc/28/76/28/1041287628.db2.gz OIDRPEXDHRWBGR-HSZRJFAPSA-N 2 0 398.982 3.628 20 10 GHCDRP Oc1ccc(Br)cc1C[N@@H+]1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001235975920 1041482439 /nfs/dbraw/zinc/48/24/39/1041482439.db2.gz YRYJZFMMJRULAB-UHFFFAOYSA-N 2 0 387.321 3.792 20 10 GHCDRP Clc1ccc2c(c1)COC21CC[NH+](Cc2ccc(N3CC[NH2+]CC3)cc2)CC1 ZINC001236067620 1041520570 /nfs/dbraw/zinc/52/05/70/1041520570.db2.gz QWMDUDUTJAHXBK-UHFFFAOYSA-N 2 0 397.950 3.771 20 10 GHCDRP FC(F)(F)c1ccc2c(c1)CC[N@@H+](Cc1ccc(N3CC[NH2+]CC3)cc1)C2 ZINC001236086737 1041527537 /nfs/dbraw/zinc/52/75/37/1041527537.db2.gz RLSACNPBWDZGJU-UHFFFAOYSA-N 2 0 375.438 3.673 20 10 GHCDRP COc1cc(C[N@H+](Cc2ccccc2C)[C@H]2CC[C@H]([NH3+])CC2)c(O)c(OC)c1 ZINC001236561239 1041763452 /nfs/dbraw/zinc/76/34/52/1041763452.db2.gz PFQAAEITBLEOCZ-MXVIHJGJSA-N 2 0 384.520 3.990 20 10 GHCDRP CCOC(=O)c1c(C[NH+]2CCC(CC3CC[NH2+]CC3)CC2)c2ccccc2n1C ZINC001236962360 1041971478 /nfs/dbraw/zinc/97/14/78/1041971478.db2.gz ODWIEOAYGKYTHK-UHFFFAOYSA-N 2 0 397.563 3.957 20 10 GHCDRP CCOc1ccc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccccc2)CCO3)c(O)c1 ZINC001237041840 1042001515 /nfs/dbraw/zinc/00/15/15/1042001515.db2.gz VXKJJKSWBMHCJG-UHFFFAOYSA-N 2 0 396.531 3.658 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@H]4Nc5ccc(Cl)cc5[C@H]4C3)cc2)CC1 ZINC001237229591 1042097423 /nfs/dbraw/zinc/09/74/23/1042097423.db2.gz DGNBPXCZCXKVOF-FYYLOGMGSA-N 2 0 396.966 3.875 20 10 GHCDRP Cc1ccc(C[N@@H+]2CCOC3(CC[NH+](Cc4c(C)cccc4O)CC3)C2)cc1 ZINC001237488984 1042232293 /nfs/dbraw/zinc/23/22/93/1042232293.db2.gz SZIGWXZDJUTLQL-UHFFFAOYSA-N 2 0 380.532 3.876 20 10 GHCDRP CCOCc1cc(C[NH2+]CC2(c3ccccc3)CC[NH+](C)CC2)ccc1OC ZINC001308492790 1049989176 /nfs/dbraw/zinc/98/91/76/1049989176.db2.gz NTGBTSLXDOVXND-UHFFFAOYSA-N 2 0 382.548 3.985 20 10 GHCDRP CCN(C)c1ccc([C@H](C)[NH2+]Cc2cccc(CN3CC[NH+](C)CC3)c2)cc1 ZINC001319762772 1055452803 /nfs/dbraw/zinc/45/28/03/1055452803.db2.gz HZBQCJBNJMQAES-FQEVSTJZSA-N 2 0 380.580 3.741 20 10 GHCDRP CCN(CC)c1ccc(CNC(=[NH2+])NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000849072506 1057581488 /nfs/dbraw/zinc/58/14/88/1057581488.db2.gz PGKIWLMZQHFZPQ-UHFFFAOYSA-N 2 0 393.579 3.811 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cccc(OC(F)(F)F)c3)cc2)CC1 ZINC001474249740 1074309724 /nfs/dbraw/zinc/30/97/24/1074309724.db2.gz QYEWKUTXIJCWGV-UHFFFAOYSA-N 2 0 379.426 3.627 20 10 GHCDRP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1cc(Br)ccc1O ZINC000274897692 835787421 /nfs/dbraw/zinc/78/74/21/835787421.db2.gz KPRMGWWIRKOYSX-YQVWRLOYSA-N 2 0 397.357 3.573 20 10 GHCDRP COc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H](C)C2)c(O)c1OC ZINC000892580530 836741463 /nfs/dbraw/zinc/74/14/63/836741463.db2.gz LTCRASULUYPQJQ-KRWDZBQOSA-N 2 0 384.520 3.931 20 10 GHCDRP Cc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)c(O)c1C ZINC000273469154 847347149 /nfs/dbraw/zinc/34/71/49/847347149.db2.gz FHFQQTFHTFJSPX-GHTZIAJQSA-N 2 0 395.547 3.557 20 10 GHCDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC001143140946 859373788 /nfs/dbraw/zinc/37/37/88/859373788.db2.gz XXVYROOKYGDYCN-HSZRJFAPSA-N 2 0 396.579 3.582 20 10 GHCDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC001143140947 859374937 /nfs/dbraw/zinc/37/49/37/859374937.db2.gz XXVYROOKYGDYCN-QHCPKHFHSA-N 2 0 396.579 3.582 20 10 GHCDRP C[C@@H]([NH2+]C1CCN(CCc2ccccc2)CC1)c1ccc(N2CCOCC2)cc1 ZINC000764897153 859665116 /nfs/dbraw/zinc/66/51/16/859665116.db2.gz GAFZBPANCUAPFL-OAQYLSRUSA-N 2 0 393.575 3.881 20 10 GHCDRP COc1cc(C)cc(C[N@@H+]2CC[C@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)c1O ZINC001183046614 912214163 /nfs/dbraw/zinc/21/41/63/912214163.db2.gz XWXJQGYMAJEUKE-NRFANRHFSA-N 2 0 399.535 3.598 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@H](c4nc5ccccc5o4)C3)cc2)CC1 ZINC000775650410 872320460 /nfs/dbraw/zinc/32/04/60/872320460.db2.gz ZUKWXXDCOYGDBG-HXUWFJFHSA-N 2 0 390.531 3.959 20 10 GHCDRP C[C@@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@@H](c2ccc(F)cc2)O1 ZINC000775715132 873094695 /nfs/dbraw/zinc/09/46/95/873094695.db2.gz CLKTXAQGTKIOEA-JPYJTQIMSA-N 2 0 383.511 3.540 20 10 GHCDRP C[C@@H]1C[N@H+](Cc2cc(-c3ccccc3)ccc2O)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000769528343 874136831 /nfs/dbraw/zinc/13/68/31/874136831.db2.gz VRIJLFZNJHHUGP-XXBNENTESA-N 2 0 379.548 3.517 20 10 GHCDRP C[NH+](C)CCN1CCC([NH2+][C@@H](CCc2ccccc2)c2ccccc2O)CC1 ZINC000776266454 876094882 /nfs/dbraw/zinc/09/48/82/876094882.db2.gz VPZMMIRUFQTIPX-QHCPKHFHSA-N 2 0 381.564 3.682 20 10 GHCDRP FC(F)Oc1ccc(N2CCC([NH2+]Cc3ccnn3-c3cc[nH+]cc3)CC2)cc1 ZINC000850117002 876677169 /nfs/dbraw/zinc/67/71/69/876677169.db2.gz SRGSQMDEKATBFM-UHFFFAOYSA-N 2 0 399.445 3.627 20 10 GHCDRP CCN(CC)c1ccc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)cc1F ZINC000850344878 876834619 /nfs/dbraw/zinc/83/46/19/876834619.db2.gz ZQJNIQCIPZQGIU-UHFFFAOYSA-N 2 0 377.548 3.653 20 10 GHCDRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H](C)c3c(C)cc(C)cc3O)cc2)CC1 ZINC000788538521 878132961 /nfs/dbraw/zinc/13/29/61/878132961.db2.gz GKAWGVRDKPBQMS-FQEVSTJZSA-N 2 0 381.564 3.997 20 10 GHCDRP c1ccc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccc(N5CCOCC5)cc4)C3)C2)cc1 ZINC000809704079 887723609 /nfs/dbraw/zinc/72/36/09/887723609.db2.gz UXIMLEUPCBQYLT-VWLOTQADSA-N 2 0 391.559 3.621 20 10 GHCDRP CCO[P@@](C)(=O)CC[C@@H](C)[NH2+]Cc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000877011940 893433462 /nfs/dbraw/zinc/43/34/62/893433462.db2.gz KTYLDSGZPHGTGJ-XGCWNURASA-N 2 0 399.491 3.780 20 10 GHCDRP CC(C)[C@@H](C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O)N1CC[NH+](C)CC1 ZINC000815558041 893996393 /nfs/dbraw/zinc/99/63/93/893996393.db2.gz OCHHMNIIHPVYCB-BJKOFHAPSA-N 2 0 395.591 3.928 20 10 GHCDRP COc1ccc(N2CCC([NH2+][C@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)CC2)cc1 ZINC000817903472 895956547 /nfs/dbraw/zinc/95/65/47/895956547.db2.gz PHKVSKJBTBFKPO-UPVQGACJSA-N 2 0 393.531 3.510 20 10 GHCDRP CO[C@H]1C[C@H]2C[C@@H]([NH2+]Cc3ccc(N4CC[NH+](CC5CC5)CC4)cc3)C[C@H]2C1 ZINC000818335087 896116525 /nfs/dbraw/zinc/11/65/25/896116525.db2.gz RONHBNGZAMPFMN-MNJSYXLPSA-N 2 0 383.580 3.512 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc4ccc(F)c(F)c4n3)cc2)CC1 ZINC000883283806 897444186 /nfs/dbraw/zinc/44/41/86/897444186.db2.gz UFYGKOIXQLVXGG-UHFFFAOYSA-N 2 0 382.458 3.555 20 10 GHCDRP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1cnn(Cc2ccccc2)c1 ZINC000883289458 897454618 /nfs/dbraw/zinc/45/46/18/897454618.db2.gz PIPGRUBDSXKCAM-FQEVSTJZSA-N 2 0 389.547 3.534 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H](C[C@@H]3CCOC3)c3ccc(F)cc3)cc2)CC1 ZINC000883290743 897457976 /nfs/dbraw/zinc/45/79/76/897457976.db2.gz FKQYGKGDVCHWBY-RDPSFJRHSA-N 2 0 397.538 3.835 20 10 GHCDRP C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000155284774 898561948 /nfs/dbraw/zinc/56/19/48/898561948.db2.gz XZVYSQMZIUIARM-VQTJNVASSA-N 2 0 397.563 3.875 20 10 GHCDRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000824188053 899424165 /nfs/dbraw/zinc/42/41/65/899424165.db2.gz RVKLTWBNFMBQQO-IBGZPJMESA-N 2 0 386.609 3.500 20 10 GHCDRP Oc1cc(O)c(CC[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1O ZINC001172066196 905331989 /nfs/dbraw/zinc/33/19/89/905331989.db2.gz UTDMYHWOLYEXKG-ACDBMABISA-N 2 0 382.504 3.521 20 10 GHCDRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC001179339004 909497591 /nfs/dbraw/zinc/49/75/91/909497591.db2.gz QEBAQTRJNARJAC-NZQKXSOJSA-N 2 0 393.575 3.505 20 10 GHCDRP CC[N@H+](CCC1CC[NH+](Cc2ccc(OC)c(OC)c2O)CC1)CC(C)C ZINC001181514556 910814418 /nfs/dbraw/zinc/81/44/18/910814418.db2.gz KIHZADJZJZBZJC-UHFFFAOYSA-N 2 0 378.557 3.989 20 10 GHCDRP CC[C@@H]([NH2+]C1CCN(C[C@H]2CCCO2)CC1)c1cc(Br)ccc1O ZINC000775503951 918459524 /nfs/dbraw/zinc/45/95/24/918459524.db2.gz QUUYGQLRMPLZBX-SJLPKXTDSA-N 2 0 397.357 3.839 20 10 GHCDRP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000757997516 929883013 /nfs/dbraw/zinc/88/30/13/929883013.db2.gz OPGMURCKENOYQK-DNQXCXABSA-N 2 0 397.538 3.930 20 10 GHCDRP c1cc(N2CC[NH+](CC3CC3)CC2)ccc1C[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000798496869 932671479 /nfs/dbraw/zinc/67/14/79/932671479.db2.gz WKDWLZKACRIIID-RBZQAINGSA-N 2 0 397.607 3.904 20 10 GHCDRP CN(C)c1ccc(C[N@H+](C)Cc2ccc(C[NH+](C)C)c3c2OC(F)(F)O3)cc1 ZINC001204144926 1032600654 /nfs/dbraw/zinc/60/06/54/1032600654.db2.gz LBRUWBSBYMZYRR-UHFFFAOYSA-N 2 0 391.462 3.768 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[N@H+](C)CCCc3cccc(OC)c3)cc2)CC1 ZINC001140306528 1021363967 /nfs/dbraw/zinc/36/39/67/1021363967.db2.gz SUTRMUSAOHMYRV-UHFFFAOYSA-N 2 0 381.564 3.902 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@H](c4cccc(OC)c4)C3)cc2)CC1 ZINC001140309747 1021369631 /nfs/dbraw/zinc/36/96/31/1021369631.db2.gz SODHINKWQWBKHO-QFIPXVFZSA-N 2 0 379.548 3.827 20 10 GHCDRP Cc1ccc(C[N@@H+]2CCOC3(CC[NH+](Cc4ccc(O)c(C)c4O)CC3)C2)cc1 ZINC001140747921 1022422201 /nfs/dbraw/zinc/42/22/01/1022422201.db2.gz DEKXUXXTICQYCA-UHFFFAOYSA-N 2 0 396.531 3.582 20 10 GHCDRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H](C)c3ccc(C)c(C)c3O)cc2)CC1 ZINC000756432947 1023646771 /nfs/dbraw/zinc/64/67/71/1023646771.db2.gz LKMIPSWZWHJAEP-HXUWFJFHSA-N 2 0 381.564 3.997 20 10 GHCDRP COc1cc2cc[nH+]c(NCc3ccc(N4CC[NH+](C)CC4)cc3)c2cc1OC ZINC001156656898 1033160866 /nfs/dbraw/zinc/16/08/66/1033160866.db2.gz BDXSJHVZCGASOP-UHFFFAOYSA-N 2 0 392.503 3.616 20 10 GHCDRP COc1ccc2ccccc2c1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001461018403 1069339025 /nfs/dbraw/zinc/33/90/25/1069339025.db2.gz FYRKOBFPZLITSI-UHFFFAOYSA-N 2 0 375.516 3.890 20 10 GHCDRP COc1cc(C[N@H+](C)CCc2cccc(C(F)(F)F)n2)cc(C[NH+](C)C)c1O ZINC001139253602 1026104275 /nfs/dbraw/zinc/10/42/75/1026104275.db2.gz ZZDFYTDPKZINSM-UHFFFAOYSA-N 2 0 397.441 3.551 20 10 GHCDRP Cc1ccc(C[N@@H+]2CCOC3(CC[NH+](Cc4cccc(C)c4O)CC3)C2)cc1 ZINC001231592263 1034745501 /nfs/dbraw/zinc/74/55/01/1034745501.db2.gz GHEFBSABBWSJPE-UHFFFAOYSA-N 2 0 380.532 3.876 20 10 GHCDRP C[N@H+](CCC=C1c2ccccc2CCc2ccccc21)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246880214 1037694479 /nfs/dbraw/zinc/69/44/79/1037694479.db2.gz RQWXMLYPYSXGQV-QFIPXVFZSA-N 2 0 387.571 3.633 20 10 GHCDRP CN1CCC[C@@H]2C[N@H+](Cc3c(O)ccc4cc(Br)ccc43)C[C@@H]21 ZINC001233195704 1038961499 /nfs/dbraw/zinc/96/14/99/1038961499.db2.gz ONHPKYQGPKSDJU-KDOFPFPSSA-N 2 0 375.310 3.834 20 10 GHCDRP CCOC(=O)c1c(C[N@@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c2ccccc2n1C ZINC001235162869 1040655175 /nfs/dbraw/zinc/65/51/75/1040655175.db2.gz XOGJGVKENZSGRU-FQEVSTJZSA-N 2 0 383.536 3.709 20 10 GHCDRP CCOC(=O)c1c(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)c2ccccc2n1C ZINC001235240400 1040721687 /nfs/dbraw/zinc/72/16/87/1040721687.db2.gz MQPHMXZDFIVABT-HXUWFJFHSA-N 2 0 383.536 3.709 20 10 GHCDRP c1ccc(C[N@H+]2CCC[C@H]([NH2+]Cc3ccc(N4CCOCC4)cc3)CC2)cc1 ZINC001255382465 1040972990 /nfs/dbraw/zinc/97/29/90/1040972990.db2.gz UURYJEILQHRYGP-QHCPKHFHSA-N 2 0 379.548 3.668 20 10 GHCDRP C[N@H+](Cc1ccc(N2CC[NH2+]CC2)cc1O)Cc1cccc(Cl)c1Cl ZINC001235790992 1041282572 /nfs/dbraw/zinc/28/25/72/1041282572.db2.gz NZPDJHXYSCPARS-UHFFFAOYSA-N 2 0 380.319 3.741 20 10 GHCDRP C[C@H]1C[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)CC[C@@]1(C)c1cccc(O)c1 ZINC001235866968 1041400491 /nfs/dbraw/zinc/40/04/91/1041400491.db2.gz LBDXWZPGIWIFSW-YADARESESA-N 2 0 379.548 3.602 20 10 GHCDRP Oc1ccc2cc(Br)ccc2c1C[NH+]1CC2(C1)CCC[NH2+]CC2 ZINC001236008748 1041500716 /nfs/dbraw/zinc/50/07/16/1041500716.db2.gz GCUKFYGXWVDXKL-UHFFFAOYSA-N 2 0 375.310 3.883 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[N@H+](C3CCCC3)[C@H]3CC[C@H]([NH3+])CC3)c(F)c2)CC1 ZINC001236574881 1041766968 /nfs/dbraw/zinc/76/69/68/1041766968.db2.gz WOXKERAPRLPFRB-XUTJKUGGSA-N 3 0 388.575 3.592 20 10 GHCDRP COc1cc(C)c(C[NH+]2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)c(O)c1 ZINC001236808952 1041909750 /nfs/dbraw/zinc/90/97/50/1041909750.db2.gz ONTUYNQEYQCQQR-UHFFFAOYSA-N 2 0 395.547 3.981 20 10 GHCDRP COc1cccc([C@@H]2CCC[N@@H+]2Cc2ccc(N3CC[NH+](C)CC3)cc2F)c1 ZINC001236943076 1041966103 /nfs/dbraw/zinc/96/61/03/1041966103.db2.gz PQHATDVPYUUOTP-QHCPKHFHSA-N 2 0 383.511 3.923 20 10 GHCDRP COc1cc(C[NH+]2CCC(CC3CC[NH2+]CC3)CC2)c(O)cc1Br ZINC001236963291 1041971320 /nfs/dbraw/zinc/97/13/20/1041971320.db2.gz ZNPDUMHNWRHDGS-UHFFFAOYSA-N 2 0 397.357 3.765 20 10 GHCDRP COc1ccc2c(c1)c1c(n2C)CC[N@H+](C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001256861471 1043707863 /nfs/dbraw/zinc/70/78/63/1043707863.db2.gz PQWCWNMDXVLDCC-UHFFFAOYSA-N 2 0 376.504 3.609 20 10 GHCDRP Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC001337786141 1058262266 /nfs/dbraw/zinc/26/22/66/1058262266.db2.gz UYYBQUZWAXAAQW-NRSPTQNISA-N 2 0 379.548 3.827 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccccc3OCC(F)(F)F)cc2)CC1 ZINC001473950203 1074215512 /nfs/dbraw/zinc/21/55/12/1074215512.db2.gz QFISTNIILRMPTR-UHFFFAOYSA-N 2 0 393.453 3.669 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3ccc4c(c3)CCO4)cc2F)CC1 ZINC000177971554 837479012 /nfs/dbraw/zinc/47/90/12/837479012.db2.gz CDGYCCCLGMKHLA-QGZVFWFLSA-N 2 0 383.511 3.753 20 10 GHCDRP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1cc(Br)ccc1O ZINC000274897689 835787025 /nfs/dbraw/zinc/78/70/25/835787025.db2.gz KPRMGWWIRKOYSX-LNLFQRSKSA-N 2 0 397.357 3.573 20 10 GHCDRP C[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccc(N2CCCCC2)cc1 ZINC000159195376 847531489 /nfs/dbraw/zinc/53/14/89/847531489.db2.gz HBZHXJQMDUYMRV-HXUWFJFHSA-N 2 0 393.579 3.675 20 10 GHCDRP Cc1cc(Br)c(O)c(CN[C@H](CC[NH+](C)C)c2cccnc2)c1 ZINC000922629244 860356070 /nfs/dbraw/zinc/35/60/70/860356070.db2.gz UWTBOAPFJPWYLW-QGZVFWFLSA-N 2 0 378.314 3.641 20 10 GHCDRP COc1ccc(O)c([C@@H](C)[NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000185151630 865497362 /nfs/dbraw/zinc/49/73/62/865497362.db2.gz WPSQCTKPIQXYOI-LJQANCHMSA-N 2 0 383.536 3.654 20 10 GHCDRP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](Cc2c3c(ccc2O)oc2c3CCCC2)CC1 ZINC000738169103 865500318 /nfs/dbraw/zinc/50/03/18/865500318.db2.gz FHPCLCZHMLGMTP-SFHVURJKSA-N 2 0 397.563 3.619 20 10 GHCDRP C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000185360857 866016712 /nfs/dbraw/zinc/01/67/12/866016712.db2.gz ZPNDTSSIZPTFKA-CABCVRRESA-N 2 0 375.463 3.834 20 10 GHCDRP Cc1ccc(C(=O)C2CC[NH+](Cc3ccc(N4CC[NH+](C)CC4)cc3)CC2)cc1 ZINC000775658269 872392168 /nfs/dbraw/zinc/39/21/68/872392168.db2.gz MOGTZLQNZFHSKB-UHFFFAOYSA-N 2 0 391.559 3.842 20 10 GHCDRP CCC[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@H](C)C(=O)Nc1ccccc1 ZINC000775668139 872567904 /nfs/dbraw/zinc/56/79/04/872567904.db2.gz RQOLCRMZROIWMM-HXUWFJFHSA-N 2 0 394.563 3.678 20 10 GHCDRP CCN(CC)c1ccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1F ZINC000769505559 874114302 /nfs/dbraw/zinc/11/43/02/874114302.db2.gz FPNHFDQXXNKCSV-UHFFFAOYSA-N 2 0 377.548 3.749 20 10 GHCDRP Cc1ccccc1[C@H]([C@@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)N(C)C ZINC000785560244 876108475 /nfs/dbraw/zinc/10/84/75/876108475.db2.gz PDDKMDVAOPDLNT-YKSBVNFPSA-N 2 0 380.580 3.528 20 10 GHCDRP CCN(CC)c1ccc(C[NH2+]Cc2ccccc2CN2CC[NH+](CC)CC2)cc1 ZINC000915680706 887315482 /nfs/dbraw/zinc/31/54/82/887315482.db2.gz ASPDDBISHBKSHE-UHFFFAOYSA-N 2 0 394.607 3.960 20 10 GHCDRP CC[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(C(F)(F)F)cc1O ZINC000810219072 888295409 /nfs/dbraw/zinc/29/54/09/888295409.db2.gz ZMJOFACKZWATTE-QAPCUYQASA-N 2 0 385.474 3.620 20 10 GHCDRP Cc1cccc(O)c1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000877552072 893683834 /nfs/dbraw/zinc/68/38/34/893683834.db2.gz PRRHHXAHMRYWCM-NRFANRHFSA-N 2 0 380.532 3.719 20 10 GHCDRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](CCc2ccccc2)c2ccccc2O)CC1 ZINC000815559856 893998367 /nfs/dbraw/zinc/99/83/67/893998367.db2.gz RMBHEAHMUCDPBO-NZQKXSOJSA-N 2 0 381.564 3.682 20 10 GHCDRP c1cnc2c(c1)CC[C@H]([NH2+]Cc1ccc(N3CC[NH+](CC4CC4)CC3)cc1)CC2 ZINC000817581107 895751848 /nfs/dbraw/zinc/75/18/48/895751848.db2.gz OVQOESRWOMZOCP-QHCPKHFHSA-N 2 0 390.575 3.651 20 10 GHCDRP CN(C)c1ccc([C@@H]([NH3+])CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000817939193 895969031 /nfs/dbraw/zinc/96/90/31/895969031.db2.gz AHTVCKFXLQGHPE-XGAJZPNHSA-N 2 0 378.564 3.538 20 10 GHCDRP Cc1cc(Cl)cc([C@@H](C)[NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)c1O ZINC000817984749 895992803 /nfs/dbraw/zinc/99/28/03/895992803.db2.gz YRYNAJQEFRCALE-QGZVFWFLSA-N 2 0 387.955 3.998 20 10 GHCDRP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1cnn(Cc2ccccc2)c1 ZINC000883289459 897454262 /nfs/dbraw/zinc/45/42/62/897454262.db2.gz PIPGRUBDSXKCAM-HXUWFJFHSA-N 2 0 389.547 3.534 20 10 GHCDRP C[C@@H]([NH2+][C@H](C)c1ccc(N2CCOCC2)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000155284880 898561624 /nfs/dbraw/zinc/56/16/24/898561624.db2.gz XZVYSQMZIUIARM-WOJBJXKFSA-N 2 0 397.563 3.875 20 10 GHCDRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H](C)c3cccc(OC)c3O)CC2)cc1 ZINC000846141273 902746594 /nfs/dbraw/zinc/74/65/94/902746594.db2.gz HKNSGBWLWXYUQQ-KRWDZBQOSA-N 2 0 384.520 3.972 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](c3ccc(F)cn3)C(C)C)cc2F)CC1 ZINC000779340895 906337602 /nfs/dbraw/zinc/33/76/02/906337602.db2.gz MPUXZIDLIGJJSG-JOCHJYFZSA-N 2 0 388.506 3.989 20 10 GHCDRP Cc1cc(Br)c([O-])c(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000781914046 931026782 /nfs/dbraw/zinc/02/67/82/931026782.db2.gz XIEDXOSHCGTLQT-UHFFFAOYSA-N 2 0 397.357 3.540 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH+]3CCC(C(=O)c4ccccc4)CC3)cc2)CC1 ZINC001140300758 1021346933 /nfs/dbraw/zinc/34/69/33/1021346933.db2.gz RHGUBGVOGWCVQQ-UHFFFAOYSA-N 2 0 391.559 3.923 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[N@H+]3C[C@H]4[C@@H](C3)CCC[C@@H]4OCC3CC3)cc2)CC1 ZINC001140304934 1021358823 /nfs/dbraw/zinc/35/88/23/1021358823.db2.gz HRAXTSWVPWRMGE-VJTSUQJLSA-N 2 0 397.607 3.856 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[N@H+](C)Cc3ccc(-n4ccnc4)cc3)cc2)CC1 ZINC001140309813 1021370106 /nfs/dbraw/zinc/37/01/06/1021370106.db2.gz VKYUUFUVBLIQKK-UHFFFAOYSA-N 2 0 389.547 3.646 20 10 GHCDRP C[C@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1ccc2ccccc2c1O ZINC000756507810 1023689101 /nfs/dbraw/zinc/68/91/01/1023689101.db2.gz FWHSGUAHWRSEFB-IBGZPJMESA-N 2 0 390.531 3.803 20 10 GHCDRP COc1cc(C[N@H+](C)Cc2cccc(Br)c2)cc(C[NH+](C)C)c1O ZINC001139256151 1026106630 /nfs/dbraw/zinc/10/66/30/1026106630.db2.gz VFCGDRYJBODTMS-UHFFFAOYSA-N 2 0 393.325 3.857 20 10 GHCDRP COc1cc(C[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC001461235737 1069455347 /nfs/dbraw/zinc/45/53/47/1069455347.db2.gz ZGBPZNGKEDVHOL-CALCHBBNSA-N 2 0 378.557 3.677 20 10 GHCDRP Oc1cc(C[NH+]2CCCC3(CCCC[NH2+]C3)CCC2)c(O)cc1Br ZINC001222119550 1029971035 /nfs/dbraw/zinc/97/10/35/1029971035.db2.gz HSZMULHRHHODME-UHFFFAOYSA-N 2 0 397.357 3.996 20 10 GHCDRP COc1ccc(C[N@@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)c(O)c1 ZINC001222576108 1030207857 /nfs/dbraw/zinc/20/78/57/1030207857.db2.gz QEQSJLJSOABWST-OAQYLSRUSA-N 2 0 396.531 3.704 20 10 GHCDRP FC(F)(F)Oc1ccc(N2CC[NH+](C3CCC4(CC[NH2+]C4)CC3)CC2)cc1 ZINC001246997432 1037821804 /nfs/dbraw/zinc/82/18/04/1037821804.db2.gz VEYBMLDTZBETQC-UHFFFAOYSA-N 2 0 383.458 3.630 20 10 GHCDRP CC[NH+]1C[C@@H]2C[NH+](Cc3c(O)ccc4cc(Br)ccc43)C[C@H]2C1 ZINC001233199166 1038964779 /nfs/dbraw/zinc/96/47/79/1038964779.db2.gz VJRKLBFICFVACK-HUUCEWRRSA-N 2 0 375.310 3.691 20 10 GHCDRP COc1cc(O)c(C[N@@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c(Br)c1 ZINC001235156230 1040648145 /nfs/dbraw/zinc/64/81/45/1040648145.db2.gz NGXTVEBKQQCNJO-QGZVFWFLSA-N 2 0 383.330 3.517 20 10 GHCDRP COc1cc(O)c(C[N@@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c(Br)c1 ZINC001235156217 1040649032 /nfs/dbraw/zinc/64/90/32/1040649032.db2.gz NGXTVEBKQQCNJO-KRWDZBQOSA-N 2 0 383.330 3.517 20 10 GHCDRP CC[N@H+](Cc1ccccc1)C1CCN(Cc2ccc(N3CC[NH2+]CC3)cc2)CC1 ZINC001235713362 1041196341 /nfs/dbraw/zinc/19/63/41/1041196341.db2.gz XWJXCEZILUVNMW-UHFFFAOYSA-N 2 0 392.591 3.583 20 10 GHCDRP Oc1cc(N2CC[NH2+]CC2)ccc1C[NH+]1CCC(c2ccccc2Cl)CC1 ZINC001236071227 1041522034 /nfs/dbraw/zinc/52/20/34/1041522034.db2.gz GOWAMFZDQLDDPM-UHFFFAOYSA-N 2 0 385.939 3.835 20 10 GHCDRP C[C@H]1C[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)CCc2ccc(Cl)cc21 ZINC001236085240 1041525878 /nfs/dbraw/zinc/52/58/78/1041525878.db2.gz LTYAUZBKBZBYJY-INIZCTEOSA-N 2 0 385.939 3.617 20 10 GHCDRP CCc1ccc(C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3CC3CC3)C2)c(O)c1 ZINC001236788112 1041894778 /nfs/dbraw/zinc/89/47/78/1041894778.db2.gz RAHDMZJMQRZATP-VJBWXMMDSA-N 2 0 394.563 3.526 20 10 GHCDRP COc1cccc([C@H]2CCC[N@H+](Cc3ccc(N4CC[NH+](C)CC4)cc3F)C2)c1 ZINC001236941456 1041965934 /nfs/dbraw/zinc/96/59/34/1041965934.db2.gz AKQRTRNHDNTAKG-FQEVSTJZSA-N 2 0 397.538 3.966 20 10 GHCDRP COc1cc(O)c(C[NH+]2CCC(CC3CC[NH2+]CC3)CC2)c(Br)c1 ZINC001236961895 1041970363 /nfs/dbraw/zinc/97/03/63/1041970363.db2.gz JBYJVGGUIFIUKF-UHFFFAOYSA-N 2 0 397.357 3.765 20 10 GHCDRP COc1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c(O)c(OC)c1 ZINC001237677446 1042318144 /nfs/dbraw/zinc/31/81/44/1042318144.db2.gz NGYKUHMXXYGZAY-WOJBJXKFSA-N 2 0 396.531 3.753 20 10 GHCDRP Cc1cc(Cl)cc(C[NH+]2CC[C@]3(C2)C[N@H+](C)C[C@@H]3COCC2CC2)c1O ZINC001237679839 1042320346 /nfs/dbraw/zinc/32/03/46/1042320346.db2.gz LUTMSLPGGZVNDI-WIYYLYMNSA-N 2 0 378.944 3.534 20 10 GHCDRP Oc1ccc2ccc(O)c(C[N@@H+]3CC[C@H](CF)C3)c2c1C[NH+]1CC[C@H](CF)C1 ZINC001262053108 1046169298 /nfs/dbraw/zinc/16/92/98/1046169298.db2.gz PUROEUQPDZBGNZ-HZPDHXFCSA-N 2 0 390.474 3.834 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH2+]CCOc3ccccc3C(C)(C)C)cc2)CC1 ZINC001308258409 1049928698 /nfs/dbraw/zinc/92/86/98/1049928698.db2.gz DCMZFRQNHAVKSZ-UHFFFAOYSA-N 2 0 381.564 3.905 20 10 GHCDRP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccc(N4CCCC4)cc3)C2)ccn1 ZINC001328524913 1050535757 /nfs/dbraw/zinc/53/57/57/1050535757.db2.gz HQNQGLSKLVKALZ-DEOSSOPVSA-N 2 0 394.563 3.787 20 10 GHCDRP Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC001337786139 1058263029 /nfs/dbraw/zinc/26/30/29/1058263029.db2.gz UYYBQUZWAXAAQW-HLAWJBBLSA-N 2 0 379.548 3.827 20 10 GHCDRP C[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(N2CCCCCC2)cc1 ZINC000765941297 856634090 /nfs/dbraw/zinc/63/40/90/856634090.db2.gz GMJJTQBRHVGKGS-IFMALSPDSA-N 2 0 384.612 3.886 20 10 GHCDRP C[C@H]([NH2+]Cc1ccccc1CN1CCOCC1)c1cc2c(cc1O)CCCC2 ZINC000184894335 865021165 /nfs/dbraw/zinc/02/11/65/865021165.db2.gz PNBQGPKUZIMPLF-SFHVURJKSA-N 2 0 380.532 3.954 20 10 GHCDRP CC[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc(N(C)C)cc1 ZINC000182234877 872062932 /nfs/dbraw/zinc/06/29/32/872062932.db2.gz HJSUUNHPNCMOJI-DNQXCXABSA-N 2 0 381.564 3.950 20 10 GHCDRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775664742 872489158 /nfs/dbraw/zinc/48/91/58/872489158.db2.gz PJYULYDVNFDGDI-FYYLOGMGSA-N 2 0 384.612 3.525 20 10 GHCDRP Cc1ccccc1[C@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@@H](C)CO1 ZINC000775713627 873057050 /nfs/dbraw/zinc/05/70/50/873057050.db2.gz KRTYQFYCVYGKPA-GBXCKJPGSA-N 2 0 379.548 3.709 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@H]3C[C@H](O)c3cccs3)cc2)CC1 ZINC000775736869 873289319 /nfs/dbraw/zinc/28/93/19/873289319.db2.gz YOPOLBCTLHHCLY-RTWAWAEBSA-N 2 0 385.577 3.588 20 10 GHCDRP Oc1cccc(Br)c1C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000858188670 882922060 /nfs/dbraw/zinc/92/20/60/882922060.db2.gz HZKQKZLLRDNMID-UHFFFAOYSA-N 2 0 390.325 3.552 20 10 GHCDRP COc1ccc(N2CCC([NH2+]CC3CC[NH+](Cc4ccncc4)CC3)CC2)cc1 ZINC000850361884 876849632 /nfs/dbraw/zinc/84/96/32/876849632.db2.gz FYMNKWSGGKGQBS-UHFFFAOYSA-N 2 0 394.563 3.561 20 10 GHCDRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000746645940 877198586 /nfs/dbraw/zinc/19/85/86/877198586.db2.gz FWFBRQHEWNTGOX-YBOAYWMSSA-N 2 0 384.520 3.701 20 10 GHCDRP COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c1O ZINC000853241014 878924675 /nfs/dbraw/zinc/92/46/75/878924675.db2.gz RRQAHCBZIRJTJQ-UKRRQHHQSA-N 2 0 397.357 3.936 20 10 GHCDRP C[NH+](C)CCOc1cc(C[NH2+]Cc2cc(-c3ccccc3)ccc2O)ccn1 ZINC000762624487 886535495 /nfs/dbraw/zinc/53/54/95/886535495.db2.gz KTLWOYVUGBTFOU-UHFFFAOYSA-N 2 0 377.488 3.684 20 10 GHCDRP CN(C)c1ccc(CN2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c(C(F)(F)F)c1 ZINC000863646207 887259215 /nfs/dbraw/zinc/25/92/15/887259215.db2.gz QRAUWTLZPNPMLS-JSGCOSHPSA-N 2 0 383.380 3.731 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3ccc(F)c(OC)c3)cc2F)CC1 ZINC000153676568 887274484 /nfs/dbraw/zinc/27/44/84/887274484.db2.gz HBEQRFCLPZSQQV-INIZCTEOSA-N 2 0 389.490 3.966 20 10 GHCDRP CC[C@H]([NH2+]C[C@H](C)CN1CC[NH+](CC)CC1)c1ccc(C(F)(F)F)cc1O ZINC000810215513 888293242 /nfs/dbraw/zinc/29/32/42/888293242.db2.gz GOKSGEUWFZCCRN-YJBOKZPZSA-N 2 0 387.490 3.725 20 10 GHCDRP CC[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(C(F)(F)F)cc1O ZINC000810219073 888294546 /nfs/dbraw/zinc/29/45/46/888294546.db2.gz ZMJOFACKZWATTE-YJBOKZPZSA-N 2 0 385.474 3.620 20 10 GHCDRP COc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)cc1O ZINC000810228210 888302793 /nfs/dbraw/zinc/30/27/93/888302793.db2.gz CQSMSMRMTPVDKH-GOSISDBHSA-N 2 0 395.547 3.784 20 10 GHCDRP FC(F)(F)c1cc(N2CCOCC2)ccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000817888211 895930547 /nfs/dbraw/zinc/93/05/47/895930547.db2.gz JVSLNOVQHXIUTM-MISYRCLQSA-N 2 0 397.485 3.552 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3ccc([N+](=O)[O-])cc3)cc2F)CC1 ZINC000155304612 898590693 /nfs/dbraw/zinc/59/06/93/898590693.db2.gz YZPXCEJNAQNMJQ-MRXNPFEDSA-N 2 0 386.471 3.727 20 10 GHCDRP CN(Cc1cccs1)c1ccc(C[NH2+]CCCC[NH+]2CCN(C)CC2)cc1 ZINC000823649453 899158490 /nfs/dbraw/zinc/15/84/90/899158490.db2.gz MDWZJFGBNXHRTM-UHFFFAOYSA-N 2 0 386.609 3.502 20 10 GHCDRP CCN(C)c1ccc([C@@H](C)[NH2+]Cc2ccc(N3CC[NH+](CC)CC3)nc2)cc1 ZINC000159477043 903363637 /nfs/dbraw/zinc/36/36/37/903363637.db2.gz NDHNGKMKKODVOM-LJQANCHMSA-N 2 0 381.568 3.530 20 10 GHCDRP COC[C@H](Cc1ccccc1)[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000773147846 904486659 /nfs/dbraw/zinc/48/66/59/904486659.db2.gz VZYOLFQLBXCHQN-DEOSSOPVSA-N 2 0 393.575 3.566 20 10 GHCDRP CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000779148317 904661300 /nfs/dbraw/zinc/66/13/00/904661300.db2.gz CGCAUYDELGNTOY-VGSWGCGISA-N 2 0 387.955 3.958 20 10 GHCDRP CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000779148315 904661734 /nfs/dbraw/zinc/66/17/34/904661734.db2.gz CGCAUYDELGNTOY-JTSKRJEESA-N 2 0 387.955 3.958 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH2+]CCc3ccc(OC(F)(F)F)cc3)cc2)CC1 ZINC001177312317 908519771 /nfs/dbraw/zinc/51/97/71/908519771.db2.gz MVBBFGVPUVDISM-UHFFFAOYSA-N 2 0 393.453 3.669 20 10 GHCDRP COC1CCN(c2ccc(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)cc2)CC1 ZINC000294977661 917078068 /nfs/dbraw/zinc/07/80/68/917078068.db2.gz OTZUUUKBIBIVOG-YKSBVNFPSA-N 2 0 383.580 3.751 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3c[nH]nc3-c3ccsc3)cc2F)CC1 ZINC000780516989 930537752 /nfs/dbraw/zinc/53/77/52/930537752.db2.gz AMWHQMPDCKZSMN-UHFFFAOYSA-N 2 0 399.539 3.709 20 10 GHCDRP Fc1cncc([C@@H]([NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)C2CC2)c1 ZINC000798931675 932820967 /nfs/dbraw/zinc/82/09/67/932820967.db2.gz MZUCWBWEYHYFJY-DEOSSOPVSA-N 2 0 394.538 3.994 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@H](Oc4ccc(F)cc4)C3)cc2)CC1 ZINC001140304304 1021354890 /nfs/dbraw/zinc/35/48/90/1021354890.db2.gz MPLQLDKREBOVBD-QHCPKHFHSA-N 2 0 383.511 3.621 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@H](c4ccc(OC)cc4)C3)cc2)CC1 ZINC001140305704 1021361546 /nfs/dbraw/zinc/36/15/46/1021361546.db2.gz HCIJZGJEZLHFGP-QFIPXVFZSA-N 2 0 379.548 3.827 20 10 GHCDRP CCN(CC)c1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)c(O)c1 ZINC001140854883 1022709302 /nfs/dbraw/zinc/70/93/02/1022709302.db2.gz GCIPVHSAAZBKAY-FGZHOGPDSA-N 2 0 379.548 3.802 20 10 GHCDRP CC(=O)C1(c2ccccc2)CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC001139412358 1026284871 /nfs/dbraw/zinc/28/48/71/1026284871.db2.gz IMJIROPDWZRNDF-UHFFFAOYSA-N 2 0 391.559 3.561 20 10 GHCDRP C[NH+]1CCN(c2ccc(CNC[C@H]3CCC[N@@H+]3CC3CCCCC3)cc2)CC1 ZINC001461153915 1069415665 /nfs/dbraw/zinc/41/56/65/1069415665.db2.gz SXRWSIABAWXUKE-XMMPIXPASA-N 2 0 384.612 3.573 20 10 GHCDRP COc1cccc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)c1O ZINC001203593209 1027458198 /nfs/dbraw/zinc/45/81/98/1027458198.db2.gz KRMVDBOYINRPLN-UHFFFAOYSA-N 2 0 396.531 3.576 20 10 GHCDRP CCCC[NH+]1CCC([N@H+](C)Cc2ccc(N3CCOCC3)c(Cl)c2)CC1 ZINC001232201042 1035158217 /nfs/dbraw/zinc/15/82/17/1035158217.db2.gz FXYNKVGSEOCMLO-UHFFFAOYSA-N 2 0 379.976 3.873 20 10 GHCDRP C[N@H+](CCC=C1c2ccccc2CCc2ccccc21)C[C@]1(O)CCC[NH2+]C1 ZINC001246053623 1037166040 /nfs/dbraw/zinc/16/60/40/1037166040.db2.gz RXZGVIMEYSZEAJ-VWLOTQADSA-N 2 0 376.544 3.653 20 10 GHCDRP C[C@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+]Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001246173017 1037221886 /nfs/dbraw/zinc/22/18/86/1037221886.db2.gz JMIBOMWHBPJPIT-MRXNPFEDSA-N 2 0 393.453 3.716 20 10 GHCDRP Oc1c(C[N@@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)cccc1OC(F)(F)F ZINC001235977649 1041481173 /nfs/dbraw/zinc/48/11/73/1041481173.db2.gz OHERHYVOMDXCOQ-UHFFFAOYSA-N 2 0 392.421 3.928 20 10 GHCDRP Oc1cccc(OC(F)(F)F)c1C[N@@H+]1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001235979368 1041484363 /nfs/dbraw/zinc/48/43/63/1041484363.db2.gz YUQJOAPXEQHGKG-UHFFFAOYSA-N 2 0 392.421 3.928 20 10 GHCDRP CSc1ccccc1[C@@H]1CCC[N@@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001236107830 1041541724 /nfs/dbraw/zinc/54/17/24/1041541724.db2.gz FFJJQICIWPUVLQ-FQEVSTJZSA-N 2 0 383.561 3.861 20 10 GHCDRP CC(C)C[N@H+](Cc1ccc(N2CCOCC2)cc1Cl)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236554524 1041760246 /nfs/dbraw/zinc/76/02/46/1041760246.db2.gz JLQGSGMLUBXPIS-WGSAOQKQSA-N 2 0 379.976 3.905 20 10 GHCDRP CCC(CC)[N@H+](Cc1ccc(N2CCOCC2)cc1F)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236783041 1041889363 /nfs/dbraw/zinc/88/93/63/1041889363.db2.gz YMXJAJNNFUXONI-KESTWPANSA-N 2 0 377.548 3.923 20 10 GHCDRP CCc1ccc(C[NH+]2CCC3(C[C@H]([N@H+](C)Cc4ccco4)CO3)CC2)c(O)c1 ZINC001236788401 1041893992 /nfs/dbraw/zinc/89/39/92/1041893992.db2.gz TXXJXDDUVOGMMD-FQEVSTJZSA-N 2 0 384.520 3.803 20 10 GHCDRP C[NH+]1CCC(C2CC[NH+](Cc3ccc(N4CCOCC4)cc3Cl)CC2)CC1 ZINC001236921344 1041959940 /nfs/dbraw/zinc/95/99/40/1041959940.db2.gz DDYQRQILOSZCCZ-UHFFFAOYSA-N 2 0 391.987 3.730 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H]4Nc5ccc(Cl)cc5[C@@H]4C3)cc2)CC1 ZINC001237229594 1042097830 /nfs/dbraw/zinc/09/78/30/1042097830.db2.gz DGNBPXCZCXKVOF-GMAHTHKFSA-N 2 0 396.966 3.875 20 10 GHCDRP CC1(C[NH+]2CCN(c3ccc(OCc4ccccc4)cc3)CC2)CC[NH2+]CC1 ZINC001237247716 1042106189 /nfs/dbraw/zinc/10/61/89/1042106189.db2.gz IWTVIMUBQTUAHS-UHFFFAOYSA-N 2 0 379.548 3.777 20 10 GHCDRP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+]Cc3ccc4c(c3)CCCO4)cc2)C[C@H](C)O1 ZINC001308196288 1049909160 /nfs/dbraw/zinc/90/91/60/1049909160.db2.gz FFLFVZOCSXAWPW-KDURUIRLSA-N 2 0 380.532 3.911 20 10 GHCDRP c1cc(OCC[NH+]2CCCC2)ccc1CC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001308349589 1049955165 /nfs/dbraw/zinc/95/51/65/1049955165.db2.gz AYTDOBJPSFSNPF-UHFFFAOYSA-N 2 0 380.532 3.819 20 10 GHCDRP [NH2+]=C(NCc1ccc(N2CCCC2)cc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849071773 1057580633 /nfs/dbraw/zinc/58/06/33/1057580633.db2.gz HDQDXMWRIKJLKC-UHFFFAOYSA-N 2 0 391.563 3.565 20 10 GHCDRP CC(C)COc1ccc(CC[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC001473986981 1074226836 /nfs/dbraw/zinc/22/68/36/1074226836.db2.gz XGGIMQDUTVXHIB-UHFFFAOYSA-N 2 0 381.564 3.806 20 10 GHCDRP CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2cc(N(C)C)cc[nH+]2)C1 ZINC000683498823 837410799 /nfs/dbraw/zinc/41/07/99/837410799.db2.gz NCGXTOQAQPMQKY-UHFFFAOYSA-N 2 0 391.519 3.508 20 10 GHCDRP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1cc(Br)ccc1O ZINC000274897691 835787344 /nfs/dbraw/zinc/78/73/44/835787344.db2.gz KPRMGWWIRKOYSX-SCTDSRPQSA-N 2 0 397.357 3.573 20 10 GHCDRP Oc1cccc(Br)c1C[NH+]1CCC2(C[NH+](Cc3ccc[nH]3)C2)CC1 ZINC001279220838 839536014 /nfs/dbraw/zinc/53/60/14/839536014.db2.gz YORGKMLXCIBXMP-UHFFFAOYSA-N 2 0 390.325 3.581 20 10 GHCDRP CC[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccc(C)cc1O ZINC000280014779 846259149 /nfs/dbraw/zinc/25/91/49/846259149.db2.gz GYEKTOQJURWTIO-IRLDBZIGSA-N 2 0 395.547 3.639 20 10 GHCDRP CCN(Cc1ccccc1)c1ccc(C[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)cc1 ZINC000185865311 862214882 /nfs/dbraw/zinc/21/48/82/862214882.db2.gz DHBPUFQYPXFQGF-QFIPXVFZSA-N 2 0 394.607 3.829 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3ccc4c(c3)COC4)cc2F)CC1 ZINC000765853887 855751080 /nfs/dbraw/zinc/75/10/80/855751080.db2.gz WDXCFMKWVWETDZ-KRWDZBQOSA-N 2 0 383.511 3.849 20 10 GHCDRP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](C/C=C/c3ccc(N(C)C)cc3)C2)ccn1 ZINC000856550093 881366274 /nfs/dbraw/zinc/36/62/74/881366274.db2.gz WWSRGDBEZNRLOF-DGQXCUQSSA-N 2 0 394.563 3.766 20 10 GHCDRP Cc1cc(N(C)C)ccc1C[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856559204 881436752 /nfs/dbraw/zinc/43/67/52/881436752.db2.gz PGGKAFHYFJVACZ-DEOSSOPVSA-N 2 0 396.579 3.950 20 10 GHCDRP Cc1cc(C[NH+]2CC[C@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)ccc1N(C)C ZINC000856604809 881581245 /nfs/dbraw/zinc/58/12/45/881581245.db2.gz RKMCDPKDUJGBJZ-QHCPKHFHSA-N 2 0 396.579 3.950 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH+]3CCC(OCCc4ccccc4)CC3)cc2)CC1 ZINC000775657667 872423124 /nfs/dbraw/zinc/42/31/24/872423124.db2.gz FUZZWRGHADONEE-UHFFFAOYSA-N 2 0 393.575 3.662 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H](OCCCc4ccccc4)C3)cc2)CC1 ZINC000775734701 873291425 /nfs/dbraw/zinc/29/14/25/873291425.db2.gz XEHYDDISIGRKJA-RUZDIDTESA-N 2 0 393.575 3.662 20 10 GHCDRP CN(C)c1ccc(C[NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)cc1F ZINC000768670902 873494980 /nfs/dbraw/zinc/49/49/80/873494980.db2.gz SDDHWGYVWACWBC-UHFFFAOYSA-N 2 0 396.554 3.714 20 10 GHCDRP CCNc1ccccc1C[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC001201482634 875732978 /nfs/dbraw/zinc/73/29/78/875732978.db2.gz YOEPGRJQKDTPKD-UHFFFAOYSA-N 2 0 378.564 3.940 20 10 GHCDRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000746645937 877198551 /nfs/dbraw/zinc/19/85/51/877198551.db2.gz FWFBRQHEWNTGOX-QRFQSNJMSA-N 2 0 384.520 3.701 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCCC[C@@H]3[C@@H]3CCOC3)cc2F)CC1 ZINC000788987978 878496973 /nfs/dbraw/zinc/49/69/73/878496973.db2.gz OOJSMNIBVBJCKJ-KCZVDYSFSA-N 2 0 389.559 3.653 20 10 GHCDRP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccc(C(F)(F)F)cc1O ZINC000810228176 888303277 /nfs/dbraw/zinc/30/32/77/888303277.db2.gz QVUHVMLZOPLHGU-RCCFBDPRSA-N 2 0 386.458 3.830 20 10 GHCDRP CC[C@H]([NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1O ZINC000810210419 888322649 /nfs/dbraw/zinc/32/26/49/888322649.db2.gz UMGWJUGZUPQJMG-ROUUACIJSA-N 2 0 387.490 3.724 20 10 GHCDRP COc1ccc(O)c([C@H](C)[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)c1 ZINC000813331755 891512879 /nfs/dbraw/zinc/51/28/79/891512879.db2.gz UDEFCUHJEWAWGY-KRWDZBQOSA-N 2 0 383.536 3.782 20 10 GHCDRP COc1cccc(C[NH2+]CCc2ccc(OCC[NH+]3C[C@H](C)[C@@H](C)C3)cc2)c1O ZINC000774825164 913624878 /nfs/dbraw/zinc/62/48/78/913624878.db2.gz RORRLMHRROFDQK-OALUTQOASA-N 2 0 398.547 3.700 20 10 GHCDRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000817888656 895930589 /nfs/dbraw/zinc/93/05/89/895930589.db2.gz OCFOWKLJINXCIT-JTHBVZDNSA-N 2 0 395.572 3.585 20 10 GHCDRP COc1ccc(N2CC[C@@H](C[NH2+][C@H](C)c3ccc(OCC[NH+](C)C)cc3)C2)cc1 ZINC000818345725 896125913 /nfs/dbraw/zinc/12/59/13/896125913.db2.gz XJZRESIGNHGNTA-UXHICEINSA-N 2 0 397.563 3.813 20 10 GHCDRP C[C@H]([NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)c1ccc(N2CCOCC2)cc1 ZINC000155301329 898587155 /nfs/dbraw/zinc/58/71/55/898587155.db2.gz YNGJGJSENBBFFA-PMACEKPBSA-N 2 0 397.563 3.875 20 10 GHCDRP CN(Cc1cccs1)c1ccc(C[NH+]2CCC(OCC[NH+](C)C)CC2)cc1 ZINC000823444748 899030207 /nfs/dbraw/zinc/03/02/07/899030207.db2.gz UGTWMACRXVVBMI-UHFFFAOYSA-N 2 0 387.593 3.927 20 10 GHCDRP Cc1ccc(C[NH+]2CCC3(CC2)CC[NH+](Cc2c(O)cc(O)cc2O)CC3)cc1 ZINC001144509686 902309851 /nfs/dbraw/zinc/30/98/51/902309851.db2.gz IHOZUJDUEADPEH-UHFFFAOYSA-N 2 0 396.531 3.990 20 10 GHCDRP CC[C@H]([NH2+]Cc1ccc(N2CC[NH+](CC)CC2)nc1)c1ccc(N(C)C)cc1 ZINC000159505493 903447130 /nfs/dbraw/zinc/44/71/30/903447130.db2.gz NOUKDDWGDCTZMD-QFIPXVFZSA-N 2 0 381.568 3.530 20 10 GHCDRP COc1ccc(O)c([C@H](C)[NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)c1 ZINC000185360645 907756079 /nfs/dbraw/zinc/75/60/79/907756079.db2.gz JAXHTXZVMFOLCX-CVEARBPZSA-N 2 0 387.499 3.704 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cnc(-c4ccccc4F)s3)cc2)CC1 ZINC001179454178 909535613 /nfs/dbraw/zinc/53/56/13/909535613.db2.gz YNESAJVMNMJOBT-UHFFFAOYSA-N 2 0 396.535 3.991 20 10 GHCDRP CCN(CC)c1ccc(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)cc1F ZINC000757967024 929873867 /nfs/dbraw/zinc/87/38/67/929873867.db2.gz XHBYPKRGEISLNG-UHFFFAOYSA-N 2 0 390.591 3.521 20 10 GHCDRP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1ccnn1C1CCC1 ZINC000925678497 931874846 /nfs/dbraw/zinc/87/48/46/931874846.db2.gz VHIJMUYHORBOTC-IBGZPJMESA-N 2 0 393.579 3.991 20 10 GHCDRP C[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)C1CC[NH+](C2CCCCC2)CC1 ZINC001140287800 1021320906 /nfs/dbraw/zinc/32/09/06/1021320906.db2.gz BAVOPSZLWRLPDU-UHFFFAOYSA-N 2 0 385.596 3.877 20 10 GHCDRP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CC[NH+](Cc1cc(C)ccc1O)CC2 ZINC001140621832 1022093744 /nfs/dbraw/zinc/09/37/44/1022093744.db2.gz QYAJERZQHBBDGC-QFIPXVFZSA-N 2 0 395.547 3.599 20 10 GHCDRP CCN(CC)c1ccc(C[N@@H+]2CCC[C@@]3(C2)COCCN(C(C)C)C3)c(O)c1 ZINC001140853097 1022703539 /nfs/dbraw/zinc/70/35/39/1022703539.db2.gz LYFOESWBLLMVFE-QHCPKHFHSA-N 2 0 389.584 3.561 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[N@H+](Cc3ccc(F)cc3)C3CCOCC3)cc2)CC1 ZINC000756140833 1023534438 /nfs/dbraw/zinc/53/44/38/1023534438.db2.gz YQINDPJCWCLVMH-UHFFFAOYSA-N 2 0 397.538 3.759 20 10 GHCDRP CCC[C@@H](C(=O)c1ccccc1)[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001139410938 1026282273 /nfs/dbraw/zinc/28/22/73/1026282273.db2.gz MPSIAHYBPVVMLV-QHCPKHFHSA-N 2 0 379.548 3.922 20 10 GHCDRP COc1ccc(C[NH+]2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c(O)c1 ZINC001203622975 1027485837 /nfs/dbraw/zinc/48/58/37/1027485837.db2.gz HPCNHMHVQFNKOO-NRFANRHFSA-N 2 0 396.531 3.656 20 10 GHCDRP Oc1ccc2cc(Br)ccc2c1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC001222629930 1030250249 /nfs/dbraw/zinc/25/02/49/1030250249.db2.gz SAGCGMJTEVHMCQ-GASCZTMLSA-N 2 0 375.310 3.739 20 10 GHCDRP C[N@H+](CCC=C1c2ccccc2CCc2ccccc21)C[C@@]1(O)CCC[NH2+]C1 ZINC001246053622 1037165053 /nfs/dbraw/zinc/16/50/53/1037165053.db2.gz RXZGVIMEYSZEAJ-RUZDIDTESA-N 2 0 376.544 3.653 20 10 GHCDRP C[NH+]1CCN(c2ccc(-c3nc4cccc(F)c4n3C3CC[NH2+]CC3)cc2)CC1 ZINC001247029869 1037849585 /nfs/dbraw/zinc/84/95/85/1037849585.db2.gz QJJRLLLJDKDNJO-UHFFFAOYSA-N 2 0 393.510 3.519 20 10 GHCDRP CN(C)c1ccc(C[NH+]2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)c(O)c1 ZINC001232837670 1038589977 /nfs/dbraw/zinc/58/99/77/1038589977.db2.gz ADSQNGFBYGODMD-UHFFFAOYSA-N 2 0 394.563 3.730 20 10 GHCDRP Oc1ccc2cc(Br)ccc2c1C[NH+]1CCC(C2C[NH2+]C2)CC1 ZINC001235341000 1040809485 /nfs/dbraw/zinc/80/94/85/1040809485.db2.gz XIMSJZBIGOODLS-UHFFFAOYSA-N 2 0 375.310 3.739 20 10 GHCDRP Oc1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235356442 1040836694 /nfs/dbraw/zinc/83/66/94/1040836694.db2.gz XLAZWKRYEUWNAY-UYAOXDASSA-N 2 0 376.422 3.990 20 10 GHCDRP COc1cc(O)c(C[N@H+](Cc2ccc(F)cc2)[C@H]2CC[C@H]([NH3+])CC2)c(OC)c1 ZINC001236743167 1041869927 /nfs/dbraw/zinc/86/99/27/1041869927.db2.gz YXFATXLLVBXAJM-IYARVYRRSA-N 2 0 388.483 3.821 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH+]3CCC(Oc4ccccc4)CC3)c(F)c2)CC1 ZINC001236931830 1041963584 /nfs/dbraw/zinc/96/35/84/1041963584.db2.gz MCXVVPUEJPSZLK-UHFFFAOYSA-N 2 0 383.511 3.621 20 10 GHCDRP COc1ccc(C[NH2+]CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1Cn1cccn1 ZINC001308204553 1049911743 /nfs/dbraw/zinc/91/17/43/1049911743.db2.gz UYADVBXFYGBZDD-PMACEKPBSA-N 2 0 384.568 3.788 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH2+]CC3(c4c(F)cccc4F)CCC3)cc2)CC1 ZINC001308435796 1049975545 /nfs/dbraw/zinc/97/55/45/1049975545.db2.gz DMWRKACUCJQQNS-UHFFFAOYSA-N 2 0 385.502 3.928 20 10 GHCDRP Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]Cc1cccc(CN2CC[NH+](C)CC2)c1 ZINC001337785965 1058262699 /nfs/dbraw/zinc/26/26/99/1058262699.db2.gz QSLSVQAJFKVORK-WIYYLYMNSA-N 2 0 379.548 3.786 20 10 GHCDRP CC[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1cc(Br)ccc1O ZINC000155894792 840372364 /nfs/dbraw/zinc/37/23/64/840372364.db2.gz MMNCDHXOGGWLEM-KDOFPFPSSA-N 2 0 397.357 3.696 20 10 GHCDRP Oc1cccc(Cl)c1C[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000125499127 841928539 /nfs/dbraw/zinc/92/85/39/841928539.db2.gz QHBZIJKFPGXGCB-UHFFFAOYSA-N 2 0 385.939 3.867 20 10 GHCDRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2)CC1 ZINC000236981429 845379912 /nfs/dbraw/zinc/37/99/12/845379912.db2.gz QDJBLUVSONHAEM-GOSISDBHSA-N 2 0 384.543 3.884 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3)cc2F)CC1 ZINC000173400491 864706456 /nfs/dbraw/zinc/70/64/56/864706456.db2.gz YXHANJYUUHLAIX-INIZCTEOSA-N 2 0 386.471 3.727 20 10 GHCDRP COc1ccc(O)c([C@H](C)[NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000185151609 865497534 /nfs/dbraw/zinc/49/75/34/865497534.db2.gz WPSQCTKPIQXYOI-IBGZPJMESA-N 2 0 383.536 3.654 20 10 GHCDRP C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1cc(F)ccc1O ZINC000185360873 866017018 /nfs/dbraw/zinc/01/70/18/866017018.db2.gz ZPNDTSSIZPTFKA-LSDHHAIUSA-N 2 0 375.463 3.834 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[N@@H+](Cc3ccccc3)C[C@H]3CCCO3)cc2)CC1 ZINC000775662633 872499710 /nfs/dbraw/zinc/49/97/10/872499710.db2.gz YXXKSZNIWIPNSZ-XMMPIXPASA-N 2 0 379.548 3.620 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3ccc(OC)c(O)c3)cc2F)CC1 ZINC000810216974 888294812 /nfs/dbraw/zinc/29/48/12/888294812.db2.gz UEGYICGPEMSCTD-MRXNPFEDSA-N 2 0 387.499 3.533 20 10 GHCDRP OC1CCN(c2ccc(C[NH2+]C[C@H]3CCC[N@H+](Cc4ccccc4)C3)cc2)CC1 ZINC000876989030 893421184 /nfs/dbraw/zinc/42/11/84/893421184.db2.gz RVALGNNOKZANMQ-HSZRJFAPSA-N 2 0 393.575 3.650 20 10 GHCDRP C[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)c1ccccc1O ZINC000815646709 894092915 /nfs/dbraw/zinc/09/29/15/894092915.db2.gz QEAQSOJKLFXGRH-CTNGQTDRSA-N 2 0 380.532 3.972 20 10 GHCDRP C[C@@H]1CCCN(c2ccc(C[NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)cc2Cl)C1 ZINC000817929796 895950049 /nfs/dbraw/zinc/95/00/49/895950049.db2.gz KIKCXJIIEFBDOP-GKBFQHABSA-N 2 0 391.987 3.823 20 10 GHCDRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3ccc(OCc4ccccc4)cc3O)C2)C1 ZINC000844903327 901487054 /nfs/dbraw/zinc/48/70/54/901487054.db2.gz XOACBWZLRFDHOW-LGVFNWMJSA-N 2 0 396.531 3.690 20 10 GHCDRP C[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccc2ccccc2c1O ZINC000185322254 907751311 /nfs/dbraw/zinc/75/13/11/907751311.db2.gz JBBOFXFMXBQVEL-QGZVFWFLSA-N 2 0 391.515 3.688 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH+]3CCC(OCc4ccc(F)cc4)CC3)cc2)CC1 ZINC000779604507 907861638 /nfs/dbraw/zinc/86/16/38/907861638.db2.gz BJRGQMPKKRNMHW-UHFFFAOYSA-N 2 0 397.538 3.759 20 10 GHCDRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1ccc(N2CCOCC2)cc1 ZINC000757912570 929851465 /nfs/dbraw/zinc/85/14/65/929851465.db2.gz OXWKQZHRDXIDNO-UHFFFAOYSA-N 2 0 394.563 3.657 20 10 GHCDRP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1cn2c(n1)CCCC2 ZINC000925676628 931873727 /nfs/dbraw/zinc/87/37/27/931873727.db2.gz KPOOHEWBXIQPAX-LJQANCHMSA-N 2 0 393.579 3.602 20 10 GHCDRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)[C@@H]2CCC[C@H]21 ZINC000796692164 932031330 /nfs/dbraw/zinc/03/13/30/932031330.db2.gz AFAMJEIQVVHFNB-YSIASYRMSA-N 2 0 397.485 3.504 20 10 GHCDRP C[C@]1(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000798498664 932674038 /nfs/dbraw/zinc/67/40/38/932674038.db2.gz WTBOVNNXGKKEFX-XMMPIXPASA-N 2 0 397.538 3.664 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@H](c4nc(C(C)C)no4)C3)cc2)CC1 ZINC001140305538 1021359856 /nfs/dbraw/zinc/35/98/56/1021359856.db2.gz BFGOPFFRGFYQDH-HXUWFJFHSA-N 2 0 397.567 3.715 20 10 GHCDRP CN(C)c1ccc(/C=C\C[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cc1 ZINC000835027333 1021784953 /nfs/dbraw/zinc/78/49/53/1021784953.db2.gz CSUWTYXFFGKPMS-WAYWQWQTSA-N 2 0 398.639 3.894 20 10 GHCDRP Cc1ccc(O)c(C[NH+]2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001140621638 1022094975 /nfs/dbraw/zinc/09/49/75/1022094975.db2.gz NOWSPYCQTXTHIV-QFIPXVFZSA-N 2 0 380.532 3.956 20 10 GHCDRP Cc1c2ccccc2n(C)c1C[NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC001461034077 1069348865 /nfs/dbraw/zinc/34/88/65/1069348865.db2.gz DWJTULXNTGRFIW-VWLOTQADSA-N 2 0 390.575 3.955 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@H](Sc4ccncc4)C3)cc2)CC1 ZINC001139409554 1026281988 /nfs/dbraw/zinc/28/19/88/1026281988.db2.gz MEVZEZYCPHCHJN-JOCHJYFZSA-N 2 0 382.577 3.590 20 10 GHCDRP COc1cccc(C[C@H]2CCC[N@H+](Cc3ccc(N4CC[NH+](C)CC4)cc3)C2)c1 ZINC001139410924 1026282059 /nfs/dbraw/zinc/28/20/59/1026282059.db2.gz MASHBHVHQYAKHU-HSZRJFAPSA-N 2 0 393.575 3.902 20 10 GHCDRP COC1(c2ccccc2)CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC001139412064 1026284590 /nfs/dbraw/zinc/28/45/90/1026284590.db2.gz CBZHGNXKUIKKKG-UHFFFAOYSA-N 2 0 379.548 3.576 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH+]3CC4(CC(OCc5ccccc5)C4)C3)cc2)CC1 ZINC001139412755 1026286077 /nfs/dbraw/zinc/28/60/77/1026286077.db2.gz MGGDNUCOIAZCTK-UHFFFAOYSA-N 2 0 391.559 3.620 20 10 GHCDRP Oc1cccc(Br)c1CN1C[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]2C1 ZINC001140100482 1026879692 /nfs/dbraw/zinc/87/96/92/1026879692.db2.gz QSNCSIPJKNZFIQ-OKILXGFUSA-N 2 0 393.350 3.780 20 10 GHCDRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2ccc(OCc3ccccc3)cc2O)CC1 ZINC000841099803 1028135188 /nfs/dbraw/zinc/13/51/88/1028135188.db2.gz PDRHLGDLUOHLMH-VWNXMTODSA-N 2 0 396.531 3.690 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH+]3CCCC4(CCCC[NH2+]C4)CCC3)cc2)CC1 ZINC001222113138 1029968714 /nfs/dbraw/zinc/96/87/14/1029968714.db2.gz DUIHUJUTCVRLDJ-UHFFFAOYSA-N 3 0 384.612 3.574 20 10 GHCDRP Fc1cc(N2CCOCC2)ccc1C[NH+]1CCCC2(CCCC[NH2+]C2)CCC1 ZINC001222113933 1029969971 /nfs/dbraw/zinc/96/99/71/1029969971.db2.gz QDLUOFSCOCFNPF-UHFFFAOYSA-N 2 0 389.559 3.798 20 10 GHCDRP Oc1ccc(Br)cc1C[NH2+][C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246311155 1037289671 /nfs/dbraw/zinc/28/96/71/1037289671.db2.gz KNGXYZUQDYFNLD-MSOLQXFVSA-N 2 0 375.310 3.608 20 10 GHCDRP Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2[NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC001252950411 1039294095 /nfs/dbraw/zinc/29/40/95/1039294095.db2.gz BDBHJHVCMHRGHM-UKILVPOCSA-N 2 0 394.559 3.859 20 10 GHCDRP Oc1cc(OCc2ccccc2)ccc1C[N@@H+]1CC[C@]2(C1)C[NH2+]CCC2(F)F ZINC001235087492 1040576581 /nfs/dbraw/zinc/57/65/81/1040576581.db2.gz HGZNUYNRCXBFKX-OAQYLSRUSA-N 2 0 388.458 3.792 20 10 GHCDRP Clc1cc(C[N@@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)ccc1N1CCOCC1 ZINC001235158590 1040652143 /nfs/dbraw/zinc/65/21/43/1040652143.db2.gz LJLCFSIHOQJZOO-HXUWFJFHSA-N 2 0 377.960 3.531 20 10 GHCDRP Clc1cc(C[N@@H+]2CCCC[C@H]2C2CC[NH2+]CC2)ccc1N1CCOCC1 ZINC001235158589 1040652229 /nfs/dbraw/zinc/65/22/29/1040652229.db2.gz LJLCFSIHOQJZOO-FQEVSTJZSA-N 2 0 377.960 3.531 20 10 GHCDRP COc1ccc(Br)c(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)c1O ZINC001235243020 1040724396 /nfs/dbraw/zinc/72/43/96/1040724396.db2.gz VAWCDVVUZKRUOG-INIZCTEOSA-N 2 0 383.330 3.517 20 10 GHCDRP CN1CCCc2cc(C[N@@H+]3CC[C@@]4(c5ccccc5)CC[NH2+]C[C@@H]4C3)ccc21 ZINC001235360404 1040842099 /nfs/dbraw/zinc/84/20/99/1040842099.db2.gz BVMXBWXDECSMTA-ILBGXUMGSA-N 2 0 375.560 3.822 20 10 GHCDRP CCCCN(CCCC)c1ccc(C[N@H+](CCOC)C2CC[NH2+]CC2)c(O)c1 ZINC001235945038 1041451890 /nfs/dbraw/zinc/45/18/90/1041451890.db2.gz QZRPVBPDMJZFHE-UHFFFAOYSA-N 2 0 391.600 3.999 20 10 GHCDRP COc1cc(O)c(C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)c(Br)c1 ZINC001236374869 1041687254 /nfs/dbraw/zinc/68/72/54/1041687254.db2.gz FZPWCEINRMKOJM-CQSZACIVSA-N 2 0 397.357 3.908 20 10 GHCDRP COC(=O)c1c(C[N@H+](C2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)c2ccccc2n1C ZINC001236572362 1041766805 /nfs/dbraw/zinc/76/68/05/1041766805.db2.gz WAOFJAVHYBBURF-SAABIXHNSA-N 2 0 383.536 3.979 20 10 GHCDRP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cc3ccccc3cc1O)C2 ZINC001236830513 1041920653 /nfs/dbraw/zinc/92/06/53/1041920653.db2.gz OYQPBNZFAVRQEO-UPVQGACJSA-N 2 0 380.532 3.726 20 10 GHCDRP Cc1ccccc1O[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)C1 ZINC001236941198 1041966124 /nfs/dbraw/zinc/96/61/24/1041966124.db2.gz YCHKUATUOGDAPA-NRFANRHFSA-N 2 0 383.511 3.539 20 10 GHCDRP Oc1ccc2cc(Br)ccc2c1C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237418181 1042199229 /nfs/dbraw/zinc/19/92/29/1042199229.db2.gz WTPXLPNPHJWZJT-KSSFIOAISA-N 2 0 375.310 3.882 20 10 GHCDRP C[C@H]1C[NH+](Cc2ccc(C[NH2+]Cc3ccc4c(c3)CCCO4)cc2)C[C@H](C)O1 ZINC001308196289 1049908916 /nfs/dbraw/zinc/90/89/16/1049908916.db2.gz FFLFVZOCSXAWPW-OALUTQOASA-N 2 0 380.532 3.911 20 10 GHCDRP C[NH+]1CCN(c2ccc(CC[NH2+]Cc3ccc(N4CCCCC4)cc3)cc2)CC1 ZINC001308554100 1050007205 /nfs/dbraw/zinc/00/72/05/1050007205.db2.gz FMLLBTAVSDBTIV-UHFFFAOYSA-N 2 0 392.591 3.761 20 10 GHCDRP COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)c1O ZINC000848524351 1057148111 /nfs/dbraw/zinc/14/81/11/1057148111.db2.gz ICESMAIDKWROAB-KGLIPLIRSA-N 2 0 385.346 3.934 20 10 GHCDRP C[NH+]1CCN(Cc2cccc(C[NH2+]Cc3ccc(N4CCCCC4)cc3)c2)CC1 ZINC001473976788 1074224098 /nfs/dbraw/zinc/22/40/98/1074224098.db2.gz DGWGFQMYPKSYCY-UHFFFAOYSA-N 2 0 392.591 3.714 20 10 GHCDRP COc1cc(C)c(C[N@@H+]2CC[C@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)c(O)c1 ZINC001474642410 1074495760 /nfs/dbraw/zinc/49/57/60/1074495760.db2.gz NWRBDHXPSOLOFJ-FQEVSTJZSA-N 2 0 399.535 3.598 20 10 GHCDRP C[C@@H]1CC[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)CN1Cc1ccccc1 ZINC001474685624 1074514552 /nfs/dbraw/zinc/51/45/52/1074514552.db2.gz WLFDGXDKPDZNNH-QPPBQGQZSA-N 2 0 392.591 3.581 20 10 GHCDRP Cc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)c(O)c1C ZINC000273469158 847347390 /nfs/dbraw/zinc/34/73/90/847347390.db2.gz FHFQQTFHTFJSPX-RXVVDRJESA-N 2 0 395.547 3.557 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCc4c3cccc4OC)cc2F)CC1 ZINC000765850837 855657834 /nfs/dbraw/zinc/65/78/34/855657834.db2.gz BQVKUUZNYTWRCM-OAQYLSRUSA-N 2 0 383.511 3.753 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH+]3CCC([C@H](O)c4ccc(F)cc4)CC3)cc2)CC1 ZINC000775690283 872930381 /nfs/dbraw/zinc/93/03/81/872930381.db2.gz PEUFTFZQQRMDIJ-XMMPIXPASA-N 2 0 397.538 3.523 20 10 GHCDRP c1ccc2c(c1)C=C(C[NH2+]Cc1ccc(N3CC[NH+](CC4CC4)CC3)cc1)CO2 ZINC000768670879 873494683 /nfs/dbraw/zinc/49/46/83/873494683.db2.gz RIPOWMSKRXDMRJ-UHFFFAOYSA-N 2 0 389.543 3.784 20 10 GHCDRP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccc2ccccc2c1O ZINC000850509422 876981840 /nfs/dbraw/zinc/98/18/40/876981840.db2.gz PWZVIYUCXFGEST-UTKZUKDTSA-N 2 0 376.500 3.963 20 10 GHCDRP COc1cc(Br)cc([C@H](C)[NH2+]CC2CC[NH+](CC3CC3)CC2)c1O ZINC000850582473 877055714 /nfs/dbraw/zinc/05/57/14/877055714.db2.gz JZSBHQKEDRAYFG-ZDUSSCGKSA-N 2 0 397.357 3.936 20 10 GHCDRP [NH3+]C[C@@H]1CN(Cc2ccc(OCc3ccccc3)cc2O)CC[C@@H]1C(F)(F)F ZINC000863645509 887259966 /nfs/dbraw/zinc/25/99/66/887259966.db2.gz IZPCJIKDEUWQOK-MJGOQNOKSA-N 2 0 394.437 3.930 20 10 GHCDRP CC[C@@H]([NH2+]CCCC[NH+]1CCN(CC)CC1)c1ccc(C(F)(F)F)cc1O ZINC000810209416 888321694 /nfs/dbraw/zinc/32/16/94/888321694.db2.gz QUHWSFQKNGTVQA-GOSISDBHSA-N 2 0 387.490 3.869 20 10 GHCDRP C[C@@H](C[NH2+]Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O)N1CC[NH+](C)CC1 ZINC000237354547 891068856 /nfs/dbraw/zinc/06/88/56/891068856.db2.gz QMSGYFWNIGKJHE-KRWDZBQOSA-N 2 0 375.601 3.713 20 10 GHCDRP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1ccc(-n2cccn2)c(F)c1 ZINC000815146196 893519316 /nfs/dbraw/zinc/51/93/16/893519316.db2.gz CQMSAKLJAYVWLX-GOSISDBHSA-N 2 0 393.510 3.614 20 10 GHCDRP C[N@@H+]1CCN(CC[NH2+][C@H](CCc2ccccc2)c2ccccc2O)CC1(C)C ZINC000815623472 894054772 /nfs/dbraw/zinc/05/47/72/894054772.db2.gz YMXKKRGRXQFEMW-JOCHJYFZSA-N 2 0 381.564 3.682 20 10 GHCDRP FC(F)Oc1ccc(N2CCC[C@@H]([NH2+]C3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC000130063365 896971569 /nfs/dbraw/zinc/97/15/69/896971569.db2.gz WIJWSTJYQBIZBQ-GOSISDBHSA-N 2 0 379.495 3.721 20 10 GHCDRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796295865 914203944 /nfs/dbraw/zinc/20/39/44/914203944.db2.gz CBTXKDGYDBPVEX-DEOSSOPVSA-N 2 0 393.575 3.576 20 10 GHCDRP COc1cccc([C@H](C)[NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)c1O ZINC000846147218 902721068 /nfs/dbraw/zinc/72/10/68/902721068.db2.gz UVDVKCAJGMOWDO-JKSUJKDBSA-N 2 0 387.499 3.704 20 10 GHCDRP COc1cccc([C@@H](C)[NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)c1O ZINC000846141089 902746986 /nfs/dbraw/zinc/74/69/86/902746986.db2.gz KSGAFQVRRMNIJX-HXUWFJFHSA-N 2 0 397.563 3.649 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3cccc4ncccc34)cc2F)CC1 ZINC001177698150 908717648 /nfs/dbraw/zinc/71/76/48/908717648.db2.gz OXBKDSMKHDCZHI-UHFFFAOYSA-N 2 0 378.495 3.806 20 10 GHCDRP CC[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccc(N(C)C)cc1 ZINC000248437886 912099300 /nfs/dbraw/zinc/09/93/00/912099300.db2.gz HJSUUNHPNCMOJI-ZEQRLZLVSA-N 2 0 381.564 3.950 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@H](c3ccccc3F)C3CCOCC3)cc2)CC1 ZINC000903217748 922861632 /nfs/dbraw/zinc/86/16/32/922861632.db2.gz ZEXDXAUXLVRJCP-DEOSSOPVSA-N 2 0 397.538 3.835 20 10 GHCDRP CC[NH+]1CCN(c2cccc(NC(=O)c3cccc(C[NH+]4CCCC4)c3)c2)CC1 ZINC000187405062 934543475 /nfs/dbraw/zinc/54/34/75/934543475.db2.gz YDGGUKDTBQSYHX-UHFFFAOYSA-N 2 0 392.547 3.677 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@H](OCc4ccccc4)C3)cc2)CC1 ZINC001140304108 1021354317 /nfs/dbraw/zinc/35/43/17/1021354317.db2.gz IKGBTUHDRKYXPY-DEOSSOPVSA-N 2 0 379.548 3.620 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3CCCc4ccc(OC)cc4C3)cc2)CC1 ZINC001140309910 1021370228 /nfs/dbraw/zinc/37/02/28/1021370228.db2.gz ZQVPRJIWGMYPTA-UHFFFAOYSA-N 2 0 379.548 3.786 20 10 GHCDRP CN(C)c1ccc(/C=C/C[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cc1 ZINC000835027330 1021784666 /nfs/dbraw/zinc/78/46/66/1021784666.db2.gz CSUWTYXFFGKPMS-AATRIKPKSA-N 2 0 398.639 3.894 20 10 GHCDRP Cc1ccc(O)c([C@@H](C)[NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)c1 ZINC000756430739 1023644675 /nfs/dbraw/zinc/64/46/75/1023644675.db2.gz KTEGLZIZNVBHEJ-OAQYLSRUSA-N 2 0 381.564 3.949 20 10 GHCDRP CCN(CC)c1ccc(C[NH2+]CCc2ccc(N3CC[NH+](C)CC3)cc2)cc1F ZINC001204111126 1027882230 /nfs/dbraw/zinc/88/22/30/1027882230.db2.gz PDWKZIFKYCINBN-UHFFFAOYSA-N 2 0 398.570 3.756 20 10 GHCDRP C[NH+]1CCN(c2ccc(CNc3ccc(CC[NH+]4CCCC4)cc3)cc2)CC1 ZINC001461325018 1069501093 /nfs/dbraw/zinc/50/10/93/1069501093.db2.gz QTMJVGMNYILMNX-UHFFFAOYSA-N 2 0 378.564 3.689 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(Cl)c4cccnc34)cc2)CC1 ZINC001461716205 1069698149 /nfs/dbraw/zinc/69/81/49/1069698149.db2.gz PFLQGUSPUZJIAE-UHFFFAOYSA-N 2 0 380.923 3.930 20 10 GHCDRP CC[NH+]1C[C@H]2C[NH+](Cc3c(O)ccc4cc(Br)ccc43)C[C@@H]2C1 ZINC001233199164 1038964568 /nfs/dbraw/zinc/96/45/68/1038964568.db2.gz VJRKLBFICFVACK-GJZGRUSLSA-N 2 0 375.310 3.691 20 10 GHCDRP CC[NH+]1CCN(c2ccc(O[C@@H]3CCC[N@@H+]([C@H](C)c4ccccn4)C3)cc2)CC1 ZINC001234660042 1040195657 /nfs/dbraw/zinc/19/56/57/1040195657.db2.gz CIBPUVCEINYURN-NFBKMPQASA-N 2 0 394.563 3.828 20 10 GHCDRP COc1ccc(Br)c(C[N@@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c1O ZINC001235157710 1040651169 /nfs/dbraw/zinc/65/11/69/1040651169.db2.gz KKVVPRKKFLFHFG-INIZCTEOSA-N 2 0 383.330 3.517 20 10 GHCDRP CC(C)(C)c1ccc(C[N@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)c(O)c1 ZINC001235679378 1041141440 /nfs/dbraw/zinc/14/14/40/1041141440.db2.gz NHGPBHLZMPQFGJ-UHFFFAOYSA-N 2 0 396.579 3.930 20 10 GHCDRP Oc1cc(N2CC[NH2+]CC2)ccc1C[NH+]1CCC(Sc2ccccc2)CC1 ZINC001236089533 1041527897 /nfs/dbraw/zinc/52/78/97/1041527897.db2.gz ASQYUTZMVQRKKK-UHFFFAOYSA-N 2 0 383.561 3.559 20 10 GHCDRP COC(=O)c1cccc(C[N@H+](Cc2c(C)cc(C)cc2O)C2CC[NH2+]CC2)c1 ZINC001236467099 1041729199 /nfs/dbraw/zinc/72/91/99/1041729199.db2.gz PBTDPKFCRPIDFT-UHFFFAOYSA-N 2 0 382.504 3.550 20 10 GHCDRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1cc(OCc2ccccc2)ccc1O ZINC001236787635 1041892670 /nfs/dbraw/zinc/89/26/70/1041892670.db2.gz BMQMGBVRPDKAGR-UHFFFAOYSA-N 2 0 399.579 3.677 20 10 GHCDRP C[C@H](c1cccc(Br)c1)[N@H+](C)Cc1cc2c(cc1O)OCC[NH2+]C2 ZINC001237057881 1042014288 /nfs/dbraw/zinc/01/42/88/1042014288.db2.gz OIQXYHRHUHOJFZ-CYBMUJFWSA-N 2 0 391.309 3.830 20 10 GHCDRP C[C@H]1OC2(CC[NH+](Cc3ccc(N4CC[NH2+]CC4)cc3)CC2)c2ccccc21 ZINC001237145347 1042063801 /nfs/dbraw/zinc/06/38/01/1042063801.db2.gz NECZNHUBWQGWKN-LJQANCHMSA-N 2 0 377.532 3.679 20 10 GHCDRP Cc1ccc(C[NH2+]CCCCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)c(O)c1 ZINC001308933095 1050190681 /nfs/dbraw/zinc/19/06/81/1050190681.db2.gz WALLSJNWJXCIMX-UHFFFAOYSA-N 2 0 391.556 3.513 20 10 GHCDRP Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC001327857042 1050299774 /nfs/dbraw/zinc/29/97/74/1050299774.db2.gz XEYCFWPHYDVAKM-AZUAARDMSA-N 2 0 379.548 3.832 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@H](c4nc5ccccc5[nH]4)C3)cc2)CC1 ZINC001337239232 1052430268 /nfs/dbraw/zinc/43/02/68/1052430268.db2.gz NGWJKZXOSAZKOH-HXUWFJFHSA-N 2 0 389.547 3.694 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(OC(F)F)c(Cl)c3)cc2)CC1 ZINC001474249730 1074309671 /nfs/dbraw/zinc/30/96/71/1074309671.db2.gz QGMGIKUKESWUQO-UHFFFAOYSA-N 2 0 395.881 3.983 20 10 GHCDRP C[N@@H+](Cc1ccccc1O)CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001474376595 1074372016 /nfs/dbraw/zinc/37/20/16/1074372016.db2.gz PCZIZGGAYXSRJR-UHFFFAOYSA-N 2 0 383.492 3.687 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3cccc(NC(C)=O)c3)cc2F)CC1 ZINC000155255477 836660589 /nfs/dbraw/zinc/66/05/89/836660589.db2.gz TZFNXGIYDOKXRC-QGZVFWFLSA-N 2 0 398.526 3.777 20 10 GHCDRP CCN(Cc1ccccc1)c1ccc(C[NH2+]C[C@@H](C)N2CC[NH+](CC)CC2)cc1 ZINC000236976730 845378768 /nfs/dbraw/zinc/37/87/68/845378768.db2.gz FVRKNPBOBLSPTD-JOCHJYFZSA-N 2 0 394.607 3.829 20 10 GHCDRP CCOc1ccc(C[NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)c(O)c1 ZINC000768669080 873492654 /nfs/dbraw/zinc/49/26/54/873492654.db2.gz CAKIJOVGUFBXJJ-UHFFFAOYSA-N 2 0 395.547 3.613 20 10 GHCDRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000769541478 874100059 /nfs/dbraw/zinc/10/00/59/874100059.db2.gz BWNCGNUYWNFZJZ-NRFANRHFSA-N 2 0 385.596 4.000 20 10 GHCDRP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1cccc(CO)c1 ZINC000776310416 876240524 /nfs/dbraw/zinc/24/05/24/876240524.db2.gz SJBSYJDFAKSZBL-IBGZPJMESA-N 2 0 379.548 3.562 20 10 GHCDRP CCOCc1cc(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)ccc1OC ZINC000850363112 876851165 /nfs/dbraw/zinc/85/11/65/876851165.db2.gz ZOHPSLNUZGEUBJ-UHFFFAOYSA-N 2 0 383.536 3.629 20 10 GHCDRP OC1CCN(c2ccc(C[NH2+]Cc3ccccc3C[NH+]3CCCCC3)cc2)CC1 ZINC000850405993 876886760 /nfs/dbraw/zinc/88/67/60/876886760.db2.gz NKHBPDVDKSPAOF-UHFFFAOYSA-N 2 0 393.575 3.923 20 10 GHCDRP COc1ccc(N2CC[C@H]([NH2+][C@H](C)[C@@H]3CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC000850487507 876962532 /nfs/dbraw/zinc/96/25/32/876962532.db2.gz HLWYBWDLXZAPLQ-FCEUIQTBSA-N 2 0 379.548 3.774 20 10 GHCDRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000850565889 877032040 /nfs/dbraw/zinc/03/20/40/877032040.db2.gz JDUOFXDFEAYMQP-DVECYGJZSA-N 2 0 385.596 3.780 20 10 GHCDRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H](C)c3c(C)cc(C)cc3O)cc2)CC1 ZINC000788538522 878133229 /nfs/dbraw/zinc/13/32/29/878133229.db2.gz GKAWGVRDKPBQMS-HXUWFJFHSA-N 2 0 381.564 3.997 20 10 GHCDRP C[NH+](C)CCOC1CC[NH+](Cc2ccc3c(c2)CCN3Cc2ccccc2)CC1 ZINC000809573049 887550133 /nfs/dbraw/zinc/55/01/33/887550133.db2.gz CDOWUPQRMFHYPG-UHFFFAOYSA-N 2 0 393.575 3.792 20 10 GHCDRP CSC1(C[NH2+][C@H](C)c2cc(Br)cc(C)c2O)CC[NH+](C)CC1 ZINC000810252216 888352797 /nfs/dbraw/zinc/35/27/97/888352797.db2.gz LVOIIQNKHQUHEV-CYBMUJFWSA-N 2 0 387.387 3.941 20 10 GHCDRP C[C@@H]([NH2+]Cc1cccc(-n2cc(C[NH3+])nn2)c1)c1ccc(N2CCCCC2)cc1 ZINC000873247938 891549654 /nfs/dbraw/zinc/54/96/54/891549654.db2.gz WOWSPFJEKIJAST-GOSISDBHSA-N 2 0 390.535 3.567 20 10 GHCDRP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3ccc(N4CCC(O)CC4)cc3)C2)CC1 ZINC000876644491 893269461 /nfs/dbraw/zinc/26/94/61/893269461.db2.gz YBGQGVSLZKUDDY-QFIPXVFZSA-N 2 0 385.596 3.592 20 10 GHCDRP c1ccc(C[N@H+]2C[C@@H](C[NH2+]Cc3ccc4c(c3)CCO4)C3(C2)CCOCC3)cc1 ZINC000815149190 893522989 /nfs/dbraw/zinc/52/29/89/893522989.db2.gz CPVLVDFQAWVQFZ-HSZRJFAPSA-N 2 0 392.543 3.640 20 10 GHCDRP CN1CC[NH+](CCCC[NH2+][C@H](CCc2ccccc2)c2ccccc2O)CC1 ZINC000815558610 893998897 /nfs/dbraw/zinc/99/88/97/893998897.db2.gz ITSBNLAETJXVEB-HSZRJFAPSA-N 2 0 381.564 3.683 20 10 GHCDRP FC(F)(F)c1cc(N2CCOCC2)ccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000817888212 895930776 /nfs/dbraw/zinc/93/07/76/895930776.db2.gz JVSLNOVQHXIUTM-YSIASYRMSA-N 2 0 397.485 3.552 20 10 GHCDRP C[C@@H]1C[C@@H]([NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)c2c1c(F)ccc2O ZINC000817984770 895992614 /nfs/dbraw/zinc/99/26/14/895992614.db2.gz ZMRUMZHMGGEPGE-VQIMIIECSA-N 2 0 383.511 3.663 20 10 GHCDRP FC(F)(F)c1c[nH+]ccc1NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC001185819699 914129456 /nfs/dbraw/zinc/12/94/56/914129456.db2.gz OPUJRNGMBUCPPY-UHFFFAOYSA-N 2 0 390.453 3.666 20 10 GHCDRP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000157860189 900863407 /nfs/dbraw/zinc/86/34/07/900863407.db2.gz DFVFBRUIHSDSET-OALUTQOASA-N 2 0 377.548 3.968 20 10 GHCDRP CC1([NH+]2CCCC2)CCC([NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)CC1 ZINC000886511277 901103383 /nfs/dbraw/zinc/10/33/83/901103383.db2.gz NWZOERHZPYXFPO-UHFFFAOYSA-N 2 0 385.596 3.782 20 10 GHCDRP COc1cccc([C@H](C)[NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)c1O ZINC000846160128 902731208 /nfs/dbraw/zinc/73/12/08/902731208.db2.gz SPWQFIXGJNTYJN-SFHVURJKSA-N 2 0 395.547 3.784 20 10 GHCDRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2ccc(OC)c(Cn3cccn3)c2)c1 ZINC001177737891 908733240 /nfs/dbraw/zinc/73/32/40/908733240.db2.gz YNAWEPPWEFGCTM-UHFFFAOYSA-N 2 0 378.520 3.682 20 10 GHCDRP CN(C)c1ccc(/C=C\C[NH2+]CCC2(O)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001179458516 909537702 /nfs/dbraw/zinc/53/77/02/909537702.db2.gz UYJGFSGDAZQGRN-TWGQIWQCSA-N 2 0 393.575 3.773 20 10 GHCDRP COc1ccc(CN2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c(O)c1OC ZINC001179863063 909787713 /nfs/dbraw/zinc/78/77/13/909787713.db2.gz KLYUERXKUKPTDZ-XMMPIXPASA-N 2 0 396.531 3.898 20 10 GHCDRP CCOCc1cc(C[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)ccc1OC ZINC000283883820 911682080 /nfs/dbraw/zinc/68/20/80/911682080.db2.gz HFZJRPRNKLFBSD-UHFFFAOYSA-N 2 0 398.547 3.995 20 10 GHCDRP CCCn1nc(C)c(C[NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)c1C ZINC000092855895 911866726 /nfs/dbraw/zinc/86/67/26/911866726.db2.gz BCFVYWWNFLAZPG-UHFFFAOYSA-N 2 0 395.595 3.732 20 10 GHCDRP C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000751150988 928051750 /nfs/dbraw/zinc/05/17/50/928051750.db2.gz DNGLGYBKBBBZME-SIKLNZKXSA-N 2 0 397.538 3.805 20 10 GHCDRP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1cnn(C2CCC2)c1 ZINC000925675960 931872680 /nfs/dbraw/zinc/87/26/80/931872680.db2.gz IHWFPJAALATRCU-LJQANCHMSA-N 2 0 393.579 3.991 20 10 GHCDRP COCC[N@H+](C)CCOc1cccc(C[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3C)c1 ZINC001116565088 933636823 /nfs/dbraw/zinc/63/68/23/933636823.db2.gz HKBPXRHNTWSSLY-WIYYLYMNSA-N 2 0 398.547 3.996 20 10 GHCDRP CCOc1ccc(N2CC[NH+](Cc3ccc(OCCC[NH+](C)C)cc3)CC2)cc1 ZINC001204271900 1032715622 /nfs/dbraw/zinc/71/56/22/1032715622.db2.gz SVMKUWMUMKJZTM-UHFFFAOYSA-N 2 0 397.563 3.738 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H]3COCc3ccccc3)cc2)CC1 ZINC001140304454 1021354720 /nfs/dbraw/zinc/35/47/20/1021354720.db2.gz QGWUBYRAODIPSG-XMMPIXPASA-N 2 0 379.548 3.620 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH+]3CCC4(CC(OCC5CC5)C4)CC3)cc2)CC1 ZINC001140304995 1021359956 /nfs/dbraw/zinc/35/99/56/1021359956.db2.gz JLLUIMHWTXYHPV-UHFFFAOYSA-N 2 0 397.607 4.000 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@H](Oc4cccc(C)n4)C3)cc2)CC1 ZINC001140309477 1021371164 /nfs/dbraw/zinc/37/11/64/1021371164.db2.gz HXCKQOMUVHQZNC-HSZRJFAPSA-N 2 0 394.563 3.575 20 10 GHCDRP COc1ccc(O)c([C@H](C)[NH2+]CCCC[NH+]2CCN(c3cccc(C)c3)CC2)c1 ZINC000756380314 1023621002 /nfs/dbraw/zinc/62/10/02/1023621002.db2.gz HAUSWQRHVDBZLU-FQEVSTJZSA-N 2 0 397.563 3.962 20 10 GHCDRP COc1ccc(O)c([C@@H](C)[NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)c1 ZINC000756431566 1023645898 /nfs/dbraw/zinc/64/58/98/1023645898.db2.gz NOFJRABBKQERTB-HXUWFJFHSA-N 2 0 397.563 3.649 20 10 GHCDRP COc1cccc(CC2CC[NH+](Cc3ccc(N4CC[NH+](C)CC4)cc3)CC2)c1 ZINC001139410907 1026282194 /nfs/dbraw/zinc/28/21/94/1026282194.db2.gz LJXCIBRTDDHZJV-UHFFFAOYSA-N 2 0 393.575 3.902 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[N@H+](CCCCCCO)Cc3ccccc3)cc2)CC1 ZINC001139410817 1026282653 /nfs/dbraw/zinc/28/26/53/1026282653.db2.gz GFGMLSLDEVAXLG-UHFFFAOYSA-N 2 0 395.591 3.993 20 10 GHCDRP Cc1ccc(C)c(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccccc2)CCO3)c1O ZINC001140179770 1026952122 /nfs/dbraw/zinc/95/21/22/1026952122.db2.gz OUSUXDMGZQOXGB-UHFFFAOYSA-N 2 0 380.532 3.876 20 10 GHCDRP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cccc(C(C)(C)C)c1O)C2 ZINC001143104131 1029842648 /nfs/dbraw/zinc/84/26/48/1029842648.db2.gz CIRDGKLWUNHZFK-RDPSFJRHSA-N 2 0 386.580 3.870 20 10 GHCDRP C[N@@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3ccc(C(F)(F)F)cc3O)C2)C1 ZINC001233452708 1039337764 /nfs/dbraw/zinc/33/77/64/1039337764.db2.gz HTXMBKHSWXCANA-UYAOXDASSA-N 2 0 398.469 3.591 20 10 GHCDRP Oc1cc(C(F)(F)F)ccc1C[NH+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001233454416 1039342805 /nfs/dbraw/zinc/34/28/05/1039342805.db2.gz UGBJVLYEKXAMMI-QZTJIDSGSA-N 2 0 376.422 3.975 20 10 GHCDRP Oc1ccc(OCc2ccccc2)cc1C[N@@H+]1CC[C@]2(C1)C[NH2+]CCC2(F)F ZINC001235095608 1040585579 /nfs/dbraw/zinc/58/55/79/1040585579.db2.gz VHLOROJKWSSMQY-OAQYLSRUSA-N 2 0 388.458 3.792 20 10 GHCDRP Clc1cc(N2CCOCC2)ccc1C[N@@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235156244 1040647857 /nfs/dbraw/zinc/64/78/57/1040647857.db2.gz NMJQXUNOTSLWNJ-OAQYLSRUSA-N 2 0 377.960 3.531 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCC[N@H+](Cc4ccccc4)CC3)cc2)CC1 ZINC001255388413 1040976394 /nfs/dbraw/zinc/97/63/94/1040976394.db2.gz ZFNYXRFKVFIBRM-XMMPIXPASA-N 3 0 392.591 3.583 20 10 GHCDRP Oc1cc2c(cc1C[NH+]1CCC(c3nc4ccccc4s3)CC1)C[NH2+]CCO2 ZINC001235692127 1041166463 /nfs/dbraw/zinc/16/64/63/1041166463.db2.gz UVDCPGIZSNNACB-UHFFFAOYSA-N 2 0 395.528 3.864 20 10 GHCDRP C[Si](C)(C)C[N@H+](Cc1ccccc1)Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001235826377 1041346331 /nfs/dbraw/zinc/34/63/31/1041346331.db2.gz WLWOJJCGDPVRCX-UHFFFAOYSA-N 2 0 383.612 3.681 20 10 GHCDRP Oc1cc(N2CC[NH2+]CC2)ccc1C[NH+]1CCC(n2ccc3ccccc32)CC1 ZINC001236073953 1041523133 /nfs/dbraw/zinc/52/31/33/1041523133.db2.gz ZPJSPDCRHDBXIZ-UHFFFAOYSA-N 2 0 390.531 3.594 20 10 GHCDRP COc1cc(O)c(C[N@@H+](Cc2ccc(F)cc2)CC2CC[NH2+]CC2)c(OC)c1 ZINC001236383166 1041691711 /nfs/dbraw/zinc/69/17/11/1041691711.db2.gz SBQJGQRDNKFFFK-UHFFFAOYSA-N 2 0 388.483 3.550 20 10 GHCDRP Cc1c[nH+]ccc1N1CC[NH+](Cc2cc(OCc3ccccc3)ccc2O)CC1 ZINC001236782788 1041889432 /nfs/dbraw/zinc/88/94/32/1041889432.db2.gz OLZVQJSSKYKGOU-UHFFFAOYSA-N 2 0 389.499 3.997 20 10 GHCDRP CCc1ccc(C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C2)c(O)c1 ZINC001236788410 1041894571 /nfs/dbraw/zinc/89/45/71/1041894571.db2.gz TYYAIVBDCOKBIH-ZCYQVOJMSA-N 2 0 398.591 3.915 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[N@H+](Cc3ccccc3)C3CCOCC3)c(F)c2)CC1 ZINC001236938800 1041965529 /nfs/dbraw/zinc/96/55/29/1041965529.db2.gz NSVFAFXMFYDXFB-UHFFFAOYSA-N 2 0 397.538 3.759 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH+]3CCC(COc4ccccc4)CC3)c(F)c2)CC1 ZINC001236941388 1041966053 /nfs/dbraw/zinc/96/60/53/1041966053.db2.gz ZQFFOEPFZCURFH-UHFFFAOYSA-N 2 0 397.538 3.869 20 10 GHCDRP COc1cccc([C@@H]2CCC[N@H+](Cc3ccc(N4CC[NH+](C)CC4)cc3F)C2)c1 ZINC001236941459 1041966257 /nfs/dbraw/zinc/96/62/57/1041966257.db2.gz AKQRTRNHDNTAKG-HXUWFJFHSA-N 2 0 397.538 3.966 20 10 GHCDRP Cc1cc(CN(C2CC[NH2+]CC2)C2CC[NH+](C)CC2)c(C)n1-c1ccccc1 ZINC001237038851 1041999014 /nfs/dbraw/zinc/99/90/14/1041999014.db2.gz XOUPPOWNZCXPEE-UHFFFAOYSA-N 2 0 380.580 3.742 20 10 GHCDRP C[C@@H]1OC2(CC[NH+](Cc3ccc(N4CC[NH2+]CC4)cc3)CC2)c2ccccc21 ZINC001237145344 1042063972 /nfs/dbraw/zinc/06/39/72/1042063972.db2.gz NECZNHUBWQGWKN-IBGZPJMESA-N 2 0 377.532 3.679 20 10 GHCDRP Clc1ccc2c(c1)[C@H]1C[N@@H+](Cc3ccc(N4CC[NH2+]CC4)cc3)CC[C@@H]1N2 ZINC001237251096 1042107688 /nfs/dbraw/zinc/10/76/88/1042107688.db2.gz VPCXVLACWQYDNX-IRLDBZIGSA-N 2 0 382.939 3.533 20 10 GHCDRP COc1cc(C[NH+]2CCC3(CCNc4ccccc43)CC2)cc(C[NH+](C)C)c1O ZINC001237323574 1042147045 /nfs/dbraw/zinc/14/70/45/1042147045.db2.gz SQYRYTGIMNOCJJ-UHFFFAOYSA-N 2 0 395.547 3.812 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH+]3CCC(C(=O)c4cccs4)CC3)cc2)CC1 ZINC001323451730 1056971927 /nfs/dbraw/zinc/97/19/27/1056971927.db2.gz IXWWYFKTXNOCCQ-UHFFFAOYSA-N 2 0 383.561 3.595 20 10 GHCDRP Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2cccc(CN3CC[NH+](C)CC3)c2)c1O ZINC001323692903 1057001128 /nfs/dbraw/zinc/00/11/28/1057001128.db2.gz KOCIHEBSPIREEV-QGZVFWFLSA-N 2 0 387.955 3.952 20 10 GHCDRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2ccc(N3CCCCCC3)cc2)CC1 ZINC000121261718 837091343 /nfs/dbraw/zinc/09/13/43/837091343.db2.gz XSUSRJUIZGZPFY-YADHBBJMSA-N 2 0 386.628 3.991 20 10 GHCDRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000066990443 842674771 /nfs/dbraw/zinc/67/47/71/842674771.db2.gz XCZYOJJZBAIECB-UHFFFAOYSA-N 2 0 385.527 3.792 20 10 GHCDRP CCOc1cccc(C[N@@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)c1O ZINC000856560429 881440672 /nfs/dbraw/zinc/44/06/72/881440672.db2.gz LWWPOIGNDVEIOW-OAQYLSRUSA-N 2 0 399.535 3.679 20 10 GHCDRP Cc1cc(O)c(C[NH+]2CC[C@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)cc1C ZINC000856560181 881440183 /nfs/dbraw/zinc/44/01/83/881440183.db2.gz KWNPTGMMRZDACT-QFIPXVFZSA-N 2 0 383.536 3.898 20 10 GHCDRP C[C@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000764968767 859713393 /nfs/dbraw/zinc/71/33/93/859713393.db2.gz CKZWRXXXKQEWKB-OTWHNJEPSA-N 2 0 377.548 3.681 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3sccc3OC)cc2F)CC1 ZINC000186157690 860529273 /nfs/dbraw/zinc/52/92/73/860529273.db2.gz QMYFJCGSOCISLL-OAHLLOKOSA-N 2 0 377.529 3.889 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3cc(OC)ccc3O)cc2F)CC1 ZINC000185393723 866053098 /nfs/dbraw/zinc/05/30/98/866053098.db2.gz FICUBSUDQYKIME-INIZCTEOSA-N 2 0 387.499 3.533 20 10 GHCDRP COc1ccc(O)c(C[NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000182577719 872575246 /nfs/dbraw/zinc/57/52/46/872575246.db2.gz PQAVTMIHHDFEHS-UHFFFAOYSA-N 2 0 384.520 3.562 20 10 GHCDRP Oc1ccc(-c2ccccc2)cc1C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000767927448 872939315 /nfs/dbraw/zinc/93/93/15/872939315.db2.gz UPJHGNNZUBMAGK-LADGPHEKSA-N 2 0 380.532 3.917 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(OC(F)(F)F)cc3)cc2)CC1 ZINC001199078788 874799306 /nfs/dbraw/zinc/79/93/06/874799306.db2.gz UGMVFYBBUUTBHQ-UHFFFAOYSA-N 2 0 379.426 3.627 20 10 GHCDRP Cc1c2ccccc2n(C)c1C[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC001200901526 875408188 /nfs/dbraw/zinc/40/81/88/875408188.db2.gz KMPQHFZHYBAQNT-UHFFFAOYSA-N 2 0 377.532 3.733 20 10 GHCDRP CN(Cc1cccs1)c1ccc(C[NH2+]C2CCN([C@@H]3CCOC3)CC2)cc1 ZINC000850396198 876877497 /nfs/dbraw/zinc/87/74/97/876877497.db2.gz HULIAZLQLKXLEM-OAQYLSRUSA-N 2 0 385.577 3.727 20 10 GHCDRP COc1ccc(N2CC[C@@H]([NH2+]C3CC[NH+]([C@H](C)Cc4ccccc4)CC3)C2)cc1 ZINC000850488060 876963915 /nfs/dbraw/zinc/96/39/15/876963915.db2.gz PSKATPAAXPPMSD-NFBKMPQASA-N 2 0 393.575 3.959 20 10 GHCDRP COc1ccc(N2CC[C@H]([NH2+]C3CC[NH+]([C@H](C)Cc4ccccc4)CC3)C2)cc1 ZINC000850488063 876964038 /nfs/dbraw/zinc/96/40/38/876964038.db2.gz PSKATPAAXPPMSD-OFNKIYASSA-N 2 0 393.575 3.959 20 10 GHCDRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000850565888 877031572 /nfs/dbraw/zinc/03/15/72/877031572.db2.gz JDUOFXDFEAYMQP-CYFREDJKSA-N 2 0 385.596 3.780 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](c3cccnc3)C3CCC3)cc2F)CC1 ZINC000795795434 912834138 /nfs/dbraw/zinc/83/41/38/912834138.db2.gz XEFIAEXOGOCCPQ-QHCPKHFHSA-N 2 0 382.527 3.994 20 10 GHCDRP C[C@@H](C[NH2+]Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O)CN1CC[NH+](C)CC1 ZINC000237354508 891062972 /nfs/dbraw/zinc/06/29/72/891062972.db2.gz YBBSZEATCKUEOI-SFHVURJKSA-N 2 0 389.628 3.960 20 10 GHCDRP Cc1ccc(O)c(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000815149728 893522055 /nfs/dbraw/zinc/52/20/55/893522055.db2.gz XRAXMLDTXVYSPL-JOCHJYFZSA-N 2 0 380.532 3.719 20 10 GHCDRP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)c1ccccc1O ZINC000815646710 894092984 /nfs/dbraw/zinc/09/29/84/894092984.db2.gz QEAQSOJKLFXGRH-FPOVZHCZSA-N 2 0 380.532 3.972 20 10 GHCDRP FC(F)Oc1ccc(N2CCC[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000817897920 895954428 /nfs/dbraw/zinc/95/44/28/895954428.db2.gz AUFYLCLEDJQFDU-JOCLIGHLSA-N 2 0 379.495 3.767 20 10 GHCDRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000817903736 895955419 /nfs/dbraw/zinc/95/54/19/895955419.db2.gz ULSKTXWXYKNLJZ-IERDGZPVSA-N 2 0 389.490 3.805 20 10 GHCDRP CC[NH+]1CCN(CCC[NH2+]Cc2ccc(N(C)Cc3cccs3)cc2)CC1 ZINC000824085726 899387323 /nfs/dbraw/zinc/38/73/23/899387323.db2.gz PHIZUHCIENXZFZ-UHFFFAOYSA-N 2 0 386.609 3.502 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccnc(Oc4ccccc4)c3)cc2)CC1 ZINC000846023013 902606896 /nfs/dbraw/zinc/60/68/96/902606896.db2.gz MQHCZNBGAPMTSK-UHFFFAOYSA-N 2 0 388.515 3.916 20 10 GHCDRP COc1cccc([C@H](C)[NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)c1O ZINC000846147073 902751874 /nfs/dbraw/zinc/75/18/74/902751874.db2.gz VJZXBFLOAGSOBW-IBGZPJMESA-N 2 0 383.536 3.654 20 10 GHCDRP CCCOc1ccc(C[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)c(O)c1 ZINC000283876309 911678278 /nfs/dbraw/zinc/67/82/78/911678278.db2.gz GXDZHLDJKBLQGA-UHFFFAOYSA-N 2 0 384.520 3.944 20 10 GHCDRP COCc1ccc(C[NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)cc1 ZINC000092855989 911868914 /nfs/dbraw/zinc/86/89/14/911868914.db2.gz MLAFXGSDPCHYIC-UHFFFAOYSA-N 2 0 379.548 3.655 20 10 GHCDRP COc1ccc(C[NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)c(OC)c1 ZINC000092855909 911868925 /nfs/dbraw/zinc/86/89/25/911868925.db2.gz DDEBIUFGFOWJLW-UHFFFAOYSA-N 2 0 395.547 3.526 20 10 GHCDRP Cc1cc(C)c([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)c(O)c1 ZINC000293679607 916326023 /nfs/dbraw/zinc/32/60/23/916326023.db2.gz KHQKBLGRDMWQLF-GHTZIAJQSA-N 2 0 395.547 3.557 20 10 GHCDRP c1ccc([C@@H]([NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)C2CC2)nc1 ZINC000903132358 922798736 /nfs/dbraw/zinc/79/87/36/922798736.db2.gz YPIZNYSKPOZVAC-DEOSSOPVSA-N 2 0 376.548 3.855 20 10 GHCDRP COc1cccc(O)c1C[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000749110962 924027522 /nfs/dbraw/zinc/02/75/22/924027522.db2.gz VXDNSFJPGFZMEA-UHFFFAOYSA-N 2 0 384.520 3.562 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH+]3CCC(Oc4ccccc4)CC3)cc2)CC1 ZINC001140301835 1021352098 /nfs/dbraw/zinc/35/20/98/1021352098.db2.gz AUFXDMXRJYBOKF-UHFFFAOYSA-N 2 0 379.548 3.872 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[N@H+]3C[C@H]4[C@@H](C3)CCC[C@H]4OCC3CC3)cc2)CC1 ZINC001140304933 1021359100 /nfs/dbraw/zinc/35/91/00/1021359100.db2.gz HRAXTSWVPWRMGE-PZUNEJSGSA-N 2 0 397.607 3.856 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[N@H+](C)[C@H](C)Cc3ccccc3OC)cc2)CC1 ZINC001140306210 1021361800 /nfs/dbraw/zinc/36/18/00/1021361800.db2.gz PFJKVPYOEWMBPX-HXUWFJFHSA-N 2 0 381.564 3.900 20 10 GHCDRP CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC001140309729 1021369705 /nfs/dbraw/zinc/36/97/05/1021369705.db2.gz RZKQTAXGOZXZGT-UHFFFAOYSA-N 2 0 380.580 3.917 20 10 GHCDRP Cc1ccc(C[NH+]2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c(O)c1 ZINC001140950385 1022972253 /nfs/dbraw/zinc/97/22/53/1022972253.db2.gz RMIZYMMQYDAGBB-JOCHJYFZSA-N 2 0 380.532 3.956 20 10 GHCDRP CCc1cc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c(O)c(C(C)(C)C)c1 ZINC000755783392 1023375915 /nfs/dbraw/zinc/37/59/15/1023375915.db2.gz XZIZJAFIOIKCCZ-CBQGHPETSA-N 2 0 399.623 3.995 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3ccc4ccccc4c3O)cn2)CC1 ZINC000756431852 1023645847 /nfs/dbraw/zinc/64/58/47/1023645847.db2.gz GJKBNTJNNFGBDX-GOSISDBHSA-N 2 0 390.531 3.933 20 10 GHCDRP Cc1ccc([C@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)c(O)c1C ZINC000756731824 1023792413 /nfs/dbraw/zinc/79/24/13/1023792413.db2.gz DTIREDPJIOCIHS-IBGZPJMESA-N 2 0 395.547 3.685 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[N@H+](Cc3ccccc3)C3CCOCC3)cc2)CC1 ZINC001139409959 1026282465 /nfs/dbraw/zinc/28/24/65/1026282465.db2.gz XERDBVXIGDHCMS-UHFFFAOYSA-N 2 0 379.548 3.620 20 10 GHCDRP CC[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001139412011 1026283063 /nfs/dbraw/zinc/28/30/63/1026283063.db2.gz AXNXCNOKFPVBBO-VWLOTQADSA-N 2 0 392.591 3.535 20 10 GHCDRP COc1cc(O)c(C[N@@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)cc1OC ZINC000843106537 1029812007 /nfs/dbraw/zinc/81/20/07/1029812007.db2.gz BIVWJRAGEGSGLD-QUCCMNQESA-N 2 0 384.520 3.582 20 10 GHCDRP Cc1c(O)ccc(C[N@@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)c1O ZINC001222582777 1030209369 /nfs/dbraw/zinc/20/93/69/1030209369.db2.gz GKEIGENOMFNOAT-OAQYLSRUSA-N 2 0 396.531 3.710 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cc(Cl)cc4cccnc43)cc2)CC1 ZINC001461713562 1069696039 /nfs/dbraw/zinc/69/60/39/1069696039.db2.gz KKLXXIJYNCCDGB-UHFFFAOYSA-N 2 0 380.923 3.930 20 10 GHCDRP CCOC(=O)C(C)(C)CCC[C@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001207325458 1034275144 /nfs/dbraw/zinc/27/51/44/1034275144.db2.gz GWFQCAIJLXXKNX-IBGZPJMESA-N 2 0 389.584 3.676 20 10 GHCDRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc3ccccc3c1O)C2 ZINC001231879068 1034962442 /nfs/dbraw/zinc/96/24/42/1034962442.db2.gz UYGVPTNCJVKCEV-QPPBQGQZSA-N 2 0 380.532 3.726 20 10 GHCDRP CN(CCC=C1c2ccccc2CCc2ccccc21)C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001160929584 1035096964 /nfs/dbraw/zinc/09/69/64/1035096964.db2.gz HYEOSVLGKOSSGO-DEOSSOPVSA-N 2 0 391.559 3.522 20 10 GHCDRP CCCC[NH+]1CCC([N@H+](C)Cc2cc(Br)c(OC)cc2O)CC1 ZINC001233141502 1038920230 /nfs/dbraw/zinc/92/02/30/1038920230.db2.gz ITCQCGBUKFGGNO-UHFFFAOYSA-N 2 0 385.346 3.860 20 10 GHCDRP CCCC[C@@H](CC)COC[C@@H](O)C[NH2+]C1CC[NH+](Cc2ccccc2O)CC1 ZINC001253032786 1039368299 /nfs/dbraw/zinc/36/82/99/1039368299.db2.gz XNIOTIWNDYJVJC-KNQAVFIVSA-N 2 0 392.584 3.540 20 10 GHCDRP c1ccc(C[N@H+]2CCC[C@@H]([NH2+]Cc3ccc(N4CCOCC4)cc3)CC2)cc1 ZINC001255382464 1040973209 /nfs/dbraw/zinc/97/32/09/1040973209.db2.gz UURYJEILQHRYGP-HSZRJFAPSA-N 2 0 379.548 3.668 20 10 GHCDRP Oc1ccccc1C[N@H+](Cc1ccc(Br)cc1)C1CC[NH2+]CC1 ZINC001236377521 1041688338 /nfs/dbraw/zinc/68/83/38/1041688338.db2.gz KROHKJQRFVOEST-UHFFFAOYSA-N 2 0 375.310 3.909 20 10 GHCDRP C[N@@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3cc4ccccc4cc3O)C2)C1 ZINC001236830778 1041920451 /nfs/dbraw/zinc/92/04/51/1041920451.db2.gz QZKARBSUFBMWEX-ISKFKSNPSA-N 2 0 380.532 3.726 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@H](Oc4ccccc4)C3)c(F)c2)CC1 ZINC001236940924 1041966063 /nfs/dbraw/zinc/96/60/63/1041966063.db2.gz WWVWFXTXZRZENX-QFIPXVFZSA-N 2 0 383.511 3.621 20 10 GHCDRP COc1ccc([C@@H]2CC[N@H+](Cc3ccc(N4CC[NH+](C)CC4)cc3F)C2)cc1 ZINC001236944103 1041966292 /nfs/dbraw/zinc/96/62/92/1041966292.db2.gz ZUWZUQZCTBQRRH-LJQANCHMSA-N 2 0 383.511 3.576 20 10 GHCDRP CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236946211 1041966918 /nfs/dbraw/zinc/96/69/18/1041966918.db2.gz MJVASPJFXYKZAS-UHFFFAOYSA-N 2 0 384.543 3.666 20 10 GHCDRP COc1cc(Br)cc([C@H](C)[NH2+]C2CC[NH+](CC(C)C)CC2)c1O ZINC000848517942 1057144878 /nfs/dbraw/zinc/14/48/78/1057144878.db2.gz HTJNQDOKBCZVQM-ZDUSSCGKSA-N 2 0 385.346 3.934 20 10 GHCDRP CCc1cccc(C[NH2+]Cc2cccc(OCC[N@H+](C)C3CCOCC3)c2)c1O ZINC000848894323 1057403667 /nfs/dbraw/zinc/40/36/67/1057403667.db2.gz IYZRZHZJHFMUGL-UHFFFAOYSA-N 2 0 398.547 3.734 20 10 GHCDRP C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001200255241 1065748602 /nfs/dbraw/zinc/74/86/02/1065748602.db2.gz MWVLMQUOXWTSHA-MRXNPFEDSA-N 2 0 388.506 3.633 20 10 GHCDRP c1ccc(C[NH+]2CCC(OCCC[NH2+]Cc3ccc4c(c3)CCO4)CC2)cc1 ZINC000176985567 835432240 /nfs/dbraw/zinc/43/22/40/835432240.db2.gz SBKOEZWIIJOCAJ-UHFFFAOYSA-N 2 0 380.532 3.782 20 10 GHCDRP C[C@@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000195137326 840412548 /nfs/dbraw/zinc/41/25/48/840412548.db2.gz OPZCTEJQGKNTGX-TZIWHRDSSA-N 2 0 397.538 3.835 20 10 GHCDRP CC[NH+]1CCC(CC[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2Cl)CC1 ZINC000121677182 844977724 /nfs/dbraw/zinc/97/77/24/844977724.db2.gz JLAGMROIVKUATM-QGZVFWFLSA-N 2 0 379.976 3.949 20 10 GHCDRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2cccc(OC)c2O)CC1 ZINC000105464699 845996358 /nfs/dbraw/zinc/99/63/58/845996358.db2.gz RJEYVGOHIDQURD-INIZCTEOSA-N 2 0 387.499 3.533 20 10 GHCDRP CCOc1ccc(C[NH2+]Cc2ccc(N3CC[NH+](CC)CC3)c(F)c2)cc1F ZINC000785457152 856670555 /nfs/dbraw/zinc/67/05/55/856670555.db2.gz RUNCUOVRGLWBMR-UHFFFAOYSA-N 2 0 389.490 3.795 20 10 GHCDRP C[C@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000158169445 858489102 /nfs/dbraw/zinc/48/91/02/858489102.db2.gz SWRVRUUACDKZRJ-IBGZPJMESA-N 2 0 377.548 3.825 20 10 GHCDRP CCOc1ccc(C[N@@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)c(O)c1 ZINC000856560182 881440481 /nfs/dbraw/zinc/44/04/81/881440481.db2.gz KZWDODFIZFXVNU-JOCHJYFZSA-N 2 0 399.535 3.679 20 10 GHCDRP CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccc(N(C)C)cc3)C2)ccn1 ZINC000856560277 881441020 /nfs/dbraw/zinc/44/10/20/881441020.db2.gz GUTCXBWPWKHHRG-QHCPKHFHSA-N 2 0 382.552 3.641 20 10 GHCDRP COc1ccc2ccc(O)c(C[NH+]3CCC(OCC[NH+]4CCCC4)CC3)c2c1 ZINC000174103188 865442574 /nfs/dbraw/zinc/44/25/74/865442574.db2.gz WPTKOVHTFFQUQC-UHFFFAOYSA-N 2 0 384.520 3.631 20 10 GHCDRP COc1cc(C[N@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)ccc1SC ZINC000775665429 872482199 /nfs/dbraw/zinc/48/21/99/872482199.db2.gz BAGCOSLDWJVKDG-UHFFFAOYSA-N 2 0 385.577 3.801 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@H]3c3ccc4c(c3)OCO4)cc2)CC1 ZINC000775675896 872774171 /nfs/dbraw/zinc/77/41/71/872774171.db2.gz DXKAAMBFCSIYLU-OAQYLSRUSA-N 2 0 379.504 3.504 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[N@@H+](Cc3ccccc3)CC3CCOCC3)cc2)CC1 ZINC000775694773 872951169 /nfs/dbraw/zinc/95/11/69/872951169.db2.gz PMUOSTYGEWQJJJ-UHFFFAOYSA-N 2 0 393.575 3.867 20 10 GHCDRP C[C@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@@H](c2ccc(F)cc2)O1 ZINC000775715134 873093924 /nfs/dbraw/zinc/09/39/24/873093924.db2.gz CLKTXAQGTKIOEA-MBSDFSHPSA-N 2 0 383.511 3.540 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@H]3C[C@H](O)c3ccc(F)cc3)cc2)CC1 ZINC000775738268 873318901 /nfs/dbraw/zinc/31/89/01/873318901.db2.gz XWQFGSFTVWPHOJ-ZEQRLZLVSA-N 2 0 397.538 3.666 20 10 GHCDRP CN(C)c1ccccc1C[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768669107 873492593 /nfs/dbraw/zinc/49/25/93/873492593.db2.gz CMXOBLGXCAIXJI-UHFFFAOYSA-N 2 0 378.564 3.574 20 10 GHCDRP C[C@H](CC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)[N@H+](C)Cc1ccccc1 ZINC001200942543 875429824 /nfs/dbraw/zinc/42/98/24/875429824.db2.gz UGSLNHFTDJLESL-HXUWFJFHSA-N 2 0 381.564 3.648 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CC(C)(C)Oc4cc(F)ccc43)cc2)CC1 ZINC000771847992 875515906 /nfs/dbraw/zinc/51/59/06/875515906.db2.gz SXLJCZXZBOOEHR-OAQYLSRUSA-N 2 0 383.511 3.970 20 10 GHCDRP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cc2c(cc1O)CCCC2 ZINC000850508024 876980307 /nfs/dbraw/zinc/98/03/07/876980307.db2.gz JWPKKBZGPXWSIH-HTAPYJJXSA-N 2 0 380.532 3.688 20 10 GHCDRP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1cc2c(cc1O)CCCC2 ZINC000850508039 876980599 /nfs/dbraw/zinc/98/05/99/876980599.db2.gz JWPKKBZGPXWSIH-VGSWGCGISA-N 2 0 380.532 3.688 20 10 GHCDRP COc1cc(Br)cc([C@@H](C)[NH2+]CC2CC[NH+](CC3CC3)CC2)c1O ZINC000850582472 877055855 /nfs/dbraw/zinc/05/58/55/877055855.db2.gz JZSBHQKEDRAYFG-CYBMUJFWSA-N 2 0 397.357 3.936 20 10 GHCDRP COc1cc(O)c(C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)cc1OC ZINC000811517970 889670694 /nfs/dbraw/zinc/67/06/94/889670694.db2.gz FSRQFCKPELMCNE-IBGZPJMESA-N 2 0 384.520 3.801 20 10 GHCDRP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2ccc(N3CCCCC3)c(F)c2)CC1 ZINC000154458280 892263959 /nfs/dbraw/zinc/26/39/59/892263959.db2.gz JWBFJSKZORJRQQ-HXUWFJFHSA-N 2 0 390.591 3.884 20 10 GHCDRP CCO[P@@](C)(=O)CC[C@H](C)[NH2+]Cc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000877011937 893433453 /nfs/dbraw/zinc/43/34/53/893433453.db2.gz KTYLDSGZPHGTGJ-CBZJRKILSA-N 2 0 399.491 3.780 20 10 GHCDRP CCN(C)c1ccc([C@@H](C)[NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000817983370 895991755 /nfs/dbraw/zinc/99/17/55/895991755.db2.gz AVUUYAOPBAKIIM-HXUWFJFHSA-N 2 0 380.580 3.787 20 10 GHCDRP COc1ccc(N2CC[C@@H](C[NH2+][C@H](C)c3cccc(OCC[NH+](C)C)c3)C2)cc1 ZINC000818345309 896122710 /nfs/dbraw/zinc/12/27/10/896122710.db2.gz UATCHXXSYKQQBD-UXHICEINSA-N 2 0 397.563 3.813 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3ccc(OC)c(F)c3)cc2F)CC1 ZINC000155271015 898549761 /nfs/dbraw/zinc/54/97/61/898549761.db2.gz GCBNUNFXPQXZCQ-MRXNPFEDSA-N 2 0 389.490 3.966 20 10 GHCDRP COc1ccc(C[NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)c(F)c1 ZINC000845946655 902549568 /nfs/dbraw/zinc/54/95/68/902549568.db2.gz UFRIMHSCINUCMH-UHFFFAOYSA-N 2 0 383.511 3.656 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3cnn(C(C)C)c3C)cc2F)CC1 ZINC000191274836 906833104 /nfs/dbraw/zinc/83/31/04/906833104.db2.gz ASTWTWSKBATZJK-QGZVFWFLSA-N 2 0 387.547 3.904 20 10 GHCDRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc2ccccc2c1O ZINC000186520217 907937321 /nfs/dbraw/zinc/93/73/21/907937321.db2.gz SEWVWPOXVWGEIR-UTKZUKDTSA-N 2 0 376.500 3.963 20 10 GHCDRP Oc1ccc(Br)cc1C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192920591 908014369 /nfs/dbraw/zinc/01/43/69/908014369.db2.gz ZGNWVSOALGFCRP-INIZCTEOSA-N 2 0 375.310 3.766 20 10 GHCDRP C[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001177748468 908734595 /nfs/dbraw/zinc/73/45/95/908734595.db2.gz BUDPSNLCYWYOHV-KRWDZBQOSA-N 2 0 383.511 3.753 20 10 GHCDRP C[C@@H]1C[C@@H](CC[NH2+]Cc2ccc(N3CCOCC3)cc2)C[N@@H+]1Cc1ccccc1 ZINC000753850169 929562900 /nfs/dbraw/zinc/56/29/00/929562900.db2.gz JVDFCPQXOFBMKF-ZJSXRUAMSA-N 2 0 393.575 3.914 20 10 GHCDRP c1cc(N2CC[NH+](CC3CC3)CC2)ccc1C[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000798496868 932671722 /nfs/dbraw/zinc/67/17/22/932671722.db2.gz WKDWLZKACRIIID-KMDXXIMOSA-N 2 0 397.607 3.904 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3C[C@H](C)c4c3c(O)ccc4C)cn2)CC1 ZINC001116584152 933646714 /nfs/dbraw/zinc/64/67/14/933646714.db2.gz ARBWARZLEUGXED-PKOBYXMFSA-N 2 0 380.536 3.576 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH+]3CCC4(CC3)OCc3ccccc34)cc2)CC1 ZINC001140304392 1021354457 /nfs/dbraw/zinc/35/44/57/1021354457.db2.gz NFWGZJILCNOTQJ-UHFFFAOYSA-N 2 0 391.559 3.850 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H](Oc4ccc(F)cc4)C3)cc2)CC1 ZINC001140304303 1021354753 /nfs/dbraw/zinc/35/47/53/1021354753.db2.gz MPLQLDKREBOVBD-HSZRJFAPSA-N 2 0 383.511 3.621 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH+]3CCC4(COc5ccccc54)CC3)cc2)CC1 ZINC001140309609 1021370796 /nfs/dbraw/zinc/37/07/96/1021370796.db2.gz NKBGZALMEVIHBO-UHFFFAOYSA-N 2 0 391.559 3.755 20 10 GHCDRP CCN(CC)c1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c(O)c1 ZINC001140854885 1022708788 /nfs/dbraw/zinc/70/87/88/1022708788.db2.gz GCIPVHSAAZBKAY-VXKWHMMOSA-N 2 0 379.548 3.802 20 10 GHCDRP Cc1ccc(C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)c(O)c1 ZINC001140952518 1022981785 /nfs/dbraw/zinc/98/17/85/1022981785.db2.gz VMTHMADKTITGCR-VWNXMTODSA-N 2 0 384.564 3.661 20 10 GHCDRP C[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1cc2c(cc1O)CCCC2 ZINC000756607386 1023735399 /nfs/dbraw/zinc/73/53/99/1023735399.db2.gz GHJRETUDIKFNCB-IBGZPJMESA-N 2 0 385.596 3.872 20 10 GHCDRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(N3CCCCC3)cc1)C2 ZINC001138216740 1024386459 /nfs/dbraw/zinc/38/64/59/1024386459.db2.gz JKDPPUOFQQTQDF-NOZRDPDXSA-N 2 0 397.607 3.857 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(Br)s3)cc2)CC1 ZINC001461011996 1069334378 /nfs/dbraw/zinc/33/43/78/1069334378.db2.gz MQSGAYLFLHCDNM-UHFFFAOYSA-N 2 0 380.355 3.552 20 10 GHCDRP COc1cc(C[NH+]2CCC3(CC2)OCCc2ccccc23)cc(C[NH+](C)C)c1O ZINC001139257501 1026107942 /nfs/dbraw/zinc/10/79/42/1026107942.db2.gz COVDUPCZOVPKDO-UHFFFAOYSA-N 2 0 396.531 3.526 20 10 GHCDRP COc1cccc(C[NH+]2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)c1O ZINC001203592282 1027457685 /nfs/dbraw/zinc/45/76/85/1027457685.db2.gz SACYRANELGKBOJ-UHFFFAOYSA-N 2 0 381.520 3.672 20 10 GHCDRP COc1ccc(O)c(C[NH+]2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001203672880 1027523278 /nfs/dbraw/zinc/52/32/78/1027523278.db2.gz GZXWCJBSDGQORM-NRFANRHFSA-N 2 0 396.531 3.656 20 10 GHCDRP OC1CCN(c2ccc(C[NH+]3CCCC4(CCCC[NH2+]C4)CCC3)cc2)CC1 ZINC001222113318 1029968517 /nfs/dbraw/zinc/96/85/17/1029968517.db2.gz HAWDVPGBRITVNS-UHFFFAOYSA-N 2 0 385.596 3.784 20 10 GHCDRP CCOC(=O)[C@H]1CC2(C[N@@H+]1Cc1cccc(-c3ccccc3)c1O)CC[NH2+]CC2 ZINC001222225563 1030020410 /nfs/dbraw/zinc/02/04/10/1030020410.db2.gz FQKNCLVGLQQUSE-OAQYLSRUSA-N 2 0 394.515 3.566 20 10 GHCDRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](Oc2ccc(N4CC[NH2+]CC4)cc2)C3)cc1 ZINC001218344080 1030904825 /nfs/dbraw/zinc/90/48/25/1030904825.db2.gz PDSPEVGPDDGPFI-FIDNPTQWSA-N 2 0 377.532 3.671 20 10 GHCDRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1c(O)ccc3ccccc31)C2 ZINC001231588026 1034742771 /nfs/dbraw/zinc/74/27/71/1034742771.db2.gz RDJJLBJHPYFXGH-YKSBVNFPSA-N 2 0 380.532 3.726 20 10 GHCDRP Cc1cc(C)c(C[NH+]2CCC3(C[C@H]([N@H+](C)Cc4ccco4)CO3)CC2)c(O)c1 ZINC001231843653 1034937781 /nfs/dbraw/zinc/93/77/81/1034937781.db2.gz CSAZUYYIEOHVHB-IBGZPJMESA-N 2 0 384.520 3.858 20 10 GHCDRP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](Cc1c(O)ccc3cc(Br)ccc31)C2 ZINC001233195697 1038961635 /nfs/dbraw/zinc/96/16/35/1038961635.db2.gz OHLNJIAPQCTBBV-AUUYWEPGSA-N 2 0 375.310 3.691 20 10 GHCDRP Oc1c(C[NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cccc1OC(F)(F)F ZINC001233760988 1039596534 /nfs/dbraw/zinc/59/65/34/1039596534.db2.gz NMBNWOPXALQTFP-QZTJIDSGSA-N 2 0 392.421 3.855 20 10 GHCDRP CCN(CC)c1ccc(C[NH+]2CCC3(CC2)C[NH2+]Cc2ccccc23)c(O)c1 ZINC001235094373 1040586221 /nfs/dbraw/zinc/58/62/21/1040586221.db2.gz PGQGBLLBYYFUNR-UHFFFAOYSA-N 2 0 379.548 3.875 20 10 GHCDRP Cc1cc(C[N@@H+]2CCCn3cnc(C[NH2+]C4CCCC4)c3C2)ccc1N(C)C ZINC001235646231 1041085847 /nfs/dbraw/zinc/08/58/47/1041085847.db2.gz IZICXPNMZQYHEQ-UHFFFAOYSA-N 2 0 381.568 3.696 20 10 GHCDRP [NH3+]C1CCC([N@H+](Cc2ccccc2)Cc2ccc(N3CCOCC3)cc2F)CC1 ZINC001236228629 1041633860 /nfs/dbraw/zinc/63/38/60/1041633860.db2.gz ZLVWXXUTKKDYHS-UHFFFAOYSA-N 2 0 397.538 3.934 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH2+]C3CCN(c4ccc(Cl)cc4)CC3)cc2)CC1 ZINC001256300971 1041692172 /nfs/dbraw/zinc/69/21/72/1041692172.db2.gz FSRJHYCQAZDDHU-UHFFFAOYSA-N 2 0 398.982 3.850 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cccc(OCC(F)(F)F)c3)cc2)CC1 ZINC001308204233 1049911963 /nfs/dbraw/zinc/91/19/63/1049911963.db2.gz VRNPPBNTHUSYDG-UHFFFAOYSA-N 2 0 393.453 3.669 20 10 GHCDRP Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001331383027 1051265584 /nfs/dbraw/zinc/26/55/84/1051265584.db2.gz ZUDHBLRPBIVKSC-AZUAARDMSA-N 2 0 380.532 3.866 20 10 GHCDRP Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]Cc1cccc(CN2CC[NH+](C)CC2)c1 ZINC001337785719 1058263064 /nfs/dbraw/zinc/26/30/64/1058263064.db2.gz QSLSVQAJFKVORK-GHTZIAJQSA-N 2 0 379.548 3.786 20 10 GHCDRP COc1ccc(N2CCC([NH2+][C@H](C)c3cccc(OCC[NH+](C)C)c3)CC2)cc1 ZINC000157386564 841919643 /nfs/dbraw/zinc/91/96/43/841919643.db2.gz RYRIECRFGQTLLA-LJQANCHMSA-N 2 0 397.563 3.955 20 10 GHCDRP CCN(Cc1ccccc1)c1ccc(C[NH2+]CCC[NH+]2CCC(O)CC2)cc1 ZINC000236965123 845066592 /nfs/dbraw/zinc/06/65/92/845066592.db2.gz NJYVGVOIUCRENL-UHFFFAOYSA-N 2 0 381.564 3.650 20 10 GHCDRP CC(C)[NH+]1CCN(Cc2ccc(N3C(C)(C)CC([NH3+])CC3(C)C)c(F)c2)CC1 ZINC001167627370 848558985 /nfs/dbraw/zinc/55/89/85/848558985.db2.gz CLJWWQHHSBLNRY-UHFFFAOYSA-N 2 0 390.591 3.836 20 10 GHCDRP CCN(C)c1ccc(C[N@@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)CC)c3)C2)cc1 ZINC000856584939 881556264 /nfs/dbraw/zinc/55/62/64/881556264.db2.gz UYBYYDLZVQNMON-HSZRJFAPSA-N 2 0 382.552 3.643 20 10 GHCDRP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccc(N(C)C)c(C)c3)C2)ccn1 ZINC000856585008 881556406 /nfs/dbraw/zinc/55/64/06/881556406.db2.gz XESCKJZCQVNELJ-QFIPXVFZSA-N 2 0 382.552 3.561 20 10 GHCDRP CN(C)c1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c(C(F)(F)F)c1 ZINC000793010662 881873802 /nfs/dbraw/zinc/87/38/02/881873802.db2.gz PPMCYQRIYHIDLE-WOJBJXKFSA-N 2 0 399.501 3.629 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3cccc4c3OC(C)(C)C4)cc2F)CC1 ZINC000738429743 865539993 /nfs/dbraw/zinc/53/99/93/865539993.db2.gz GBEPRZGJKSINBW-UHFFFAOYSA-N 2 0 397.538 3.971 20 10 GHCDRP COc1cc(C)cc(C[N@@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)c1O ZINC001183046615 912215844 /nfs/dbraw/zinc/21/58/44/912215844.db2.gz XWXJQGYMAJEUKE-OAQYLSRUSA-N 2 0 399.535 3.598 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[N@H+](CCCO)[C@@H]3CCCc4ccccc43)cc2)CC1 ZINC000775725341 873199562 /nfs/dbraw/zinc/19/95/62/873199562.db2.gz MHYFKFSDNADAGM-RUZDIDTESA-N 2 0 393.575 3.700 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCCCC[C@@H]3C[C@H](O)c3ccco3)cc2)CC1 ZINC000775738166 873321067 /nfs/dbraw/zinc/32/10/67/873321067.db2.gz USNQXUSQEUMLJG-PKTZIBPZSA-N 2 0 397.563 3.900 20 10 GHCDRP Cc1ccccc1[C@@H]([C@@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)N(C)C ZINC000785560242 876108022 /nfs/dbraw/zinc/10/80/22/876108022.db2.gz PDDKMDVAOPDLNT-HYBUGGRVSA-N 2 0 380.580 3.528 20 10 GHCDRP COc1cc(C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)c(O)c(C(C)(C)C)c1 ZINC000850034275 876619154 /nfs/dbraw/zinc/61/91/54/876619154.db2.gz DHQYZPCQGTZGRB-UHFFFAOYSA-N 2 0 386.536 3.929 20 10 GHCDRP Cn1ncc(C2CCC2)c1C[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000850235345 876746426 /nfs/dbraw/zinc/74/64/26/876746426.db2.gz WCRRDFSUBNQDIL-UHFFFAOYSA-N 2 0 393.579 3.509 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3cc4cnccc4o3)cc2F)CC1 ZINC000850433584 876916714 /nfs/dbraw/zinc/91/67/14/876916714.db2.gz NZTJWNKJCQHSIW-MRXNPFEDSA-N 2 0 382.483 3.960 20 10 GHCDRP C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000850567477 877034616 /nfs/dbraw/zinc/03/46/16/877034616.db2.gz CXBIABSSHDDDAL-OFNKIYASSA-N 2 0 393.575 3.648 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H](c3ccccc3)C(F)(F)F)cc2)CC1 ZINC000776816193 880593020 /nfs/dbraw/zinc/59/30/20/880593020.db2.gz OASUAGYCJSSRFF-HXUWFJFHSA-N 2 0 377.454 3.874 20 10 GHCDRP C[C@@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1cc2c(cc1O)CCCC2 ZINC000808719149 886701703 /nfs/dbraw/zinc/70/17/03/886701703.db2.gz DEHFNUSJGCCOPI-QGZVFWFLSA-N 2 0 383.536 3.847 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3ccc(OC)c(O)c3)cc2F)CC1 ZINC000810216973 888295182 /nfs/dbraw/zinc/29/51/82/888295182.db2.gz UEGYICGPEMSCTD-INIZCTEOSA-N 2 0 387.499 3.533 20 10 GHCDRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2ccc(N3CCCCC3)c(F)c2)CC1 ZINC000121137197 888961655 /nfs/dbraw/zinc/96/16/55/888961655.db2.gz QODGTYYGEVZFEN-WOJBJXKFSA-N 2 0 390.591 3.740 20 10 GHCDRP CCOc1ccc(O)c(C[NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)c1 ZINC000125503553 892715793 /nfs/dbraw/zinc/71/57/93/892715793.db2.gz OBEPFCICBOYMCH-UHFFFAOYSA-N 2 0 395.547 3.613 20 10 GHCDRP Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000817934048 895964783 /nfs/dbraw/zinc/96/47/83/895964783.db2.gz AWVBCRGAFGMGHK-ANJVHQHFSA-N 2 0 379.548 3.838 20 10 GHCDRP C[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccc2ccccc2c1O ZINC000185042246 907702349 /nfs/dbraw/zinc/70/23/49/907702349.db2.gz HFLFKCJCTBSEJF-QGZVFWFLSA-N 2 0 376.504 3.543 20 10 GHCDRP COc1ccc(CN2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c(O)c1OC ZINC001179863062 909787174 /nfs/dbraw/zinc/78/71/74/909787174.db2.gz KLYUERXKUKPTDZ-DEOSSOPVSA-N 2 0 396.531 3.898 20 10 GHCDRP CCOc1ccccc1C[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000092856017 911868572 /nfs/dbraw/zinc/86/85/72/911868572.db2.gz UCUOSNIWNYBIQU-UHFFFAOYSA-N 2 0 379.548 3.907 20 10 GHCDRP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2ccc(OCc3ccccc3)cc2O)CCO1 ZINC000827855319 926083611 /nfs/dbraw/zinc/08/36/11/926083611.db2.gz AQUUZUNAFDLSNV-JOCHJYFZSA-N 2 0 384.520 3.514 20 10 GHCDRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000751146482 928048544 /nfs/dbraw/zinc/04/85/44/928048544.db2.gz HMKMMVSXFRPWFY-OFNKIYASSA-N 2 0 379.548 3.666 20 10 GHCDRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)[C@@H]2CCC[C@@H]21 ZINC000796692161 932031533 /nfs/dbraw/zinc/03/15/33/932031533.db2.gz AFAMJEIQVVHFNB-IHPCNDPISA-N 2 0 397.485 3.504 20 10 GHCDRP CCN(CC)c1ccc(C[N@@H+]2CCC[C@]3(C2)COCCN(C(C)C)C3)c(O)c1 ZINC001140853096 1022702982 /nfs/dbraw/zinc/70/29/82/1022702982.db2.gz LYFOESWBLLMVFE-HSZRJFAPSA-N 2 0 389.584 3.561 20 10 GHCDRP COc1cc2c[nH+]c(NCc3ccc(N4CC[NH+](C)CC4)cc3)cc2cc1OC ZINC001156660109 1033162749 /nfs/dbraw/zinc/16/27/49/1033162749.db2.gz SPSJTWYCLAXXPI-UHFFFAOYSA-N 2 0 392.503 3.616 20 10 GHCDRP C[N@@H+](Cc1ccc(N2CCOCC2)cc1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001138498916 1024930985 /nfs/dbraw/zinc/93/09/85/1024930985.db2.gz MMTSCOBMWRGTRC-UHFFFAOYSA-N 2 0 393.575 3.867 20 10 GHCDRP COCOc1cnc(N(CC[NH3+])c2cccc3ccccc32)cc1/C=C/[NH+](C)C ZINC001162005699 1025533133 /nfs/dbraw/zinc/53/31/33/1025533133.db2.gz URWVWWHLIPCGHV-ACCUITESSA-N 2 0 392.503 3.847 20 10 GHCDRP COc1cccc([C@@H]2CCC[N@H+](Cc3ccc(N4CC[NH+](C)CC4)cc3)C2)c1 ZINC001139410769 1026281783 /nfs/dbraw/zinc/28/17/83/1026281783.db2.gz CVMPQKGZKPHBLF-JOCHJYFZSA-N 2 0 379.548 3.827 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH+]3CCC4(CC(OCC5CC5)C4)CC3)cc2)CC1 ZINC001139410406 1026282161 /nfs/dbraw/zinc/28/21/61/1026282161.db2.gz PDWKBEDEOBDGIO-UHFFFAOYSA-N 2 0 383.580 3.610 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@H](Sc4ccncc4)C3)cc2)CC1 ZINC001139409558 1026282608 /nfs/dbraw/zinc/28/26/08/1026282608.db2.gz MEVZEZYCPHCHJN-QFIPXVFZSA-N 2 0 382.577 3.590 20 10 GHCDRP Cc1cccc(OC2CC[NH+](Cc3ccc(N4CC[NH+](C)CC4)cc3)CC2)c1 ZINC001139411973 1026284415 /nfs/dbraw/zinc/28/44/15/1026284415.db2.gz AEZYNSCIPSYQMF-UHFFFAOYSA-N 2 0 379.548 3.790 20 10 GHCDRP Cc1ccc(C)c(C[NH+]2CCC3(C[C@@H]([N@H+](C)Cc4ccccn4)CO3)CC2)c1O ZINC001140179513 1026952374 /nfs/dbraw/zinc/95/23/74/1026952374.db2.gz FVTVPVXNMWYAJY-OAQYLSRUSA-N 2 0 395.547 3.660 20 10 GHCDRP Cc1ccc(C)c(C[NH+]2CCC3(C[C@H]([N@H+](C)Cc4ccco4)CO3)CC2)c1O ZINC001140181189 1026954309 /nfs/dbraw/zinc/95/43/09/1026954309.db2.gz PKHYORKWUSCADS-IBGZPJMESA-N 2 0 384.520 3.858 20 10 GHCDRP Cc1ccc(C)c(C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)c1O ZINC001140181847 1026954556 /nfs/dbraw/zinc/95/45/56/1026954556.db2.gz YBALMJHOITVEFG-RDGATRHJSA-N 2 0 398.591 3.970 20 10 GHCDRP CN(C)c1ccc(C[NH+]2CCC3(C[C@H]([N@H+](C)Cc4ccco4)CO3)CC2)cc1 ZINC001203932004 1027724676 /nfs/dbraw/zinc/72/46/76/1027724676.db2.gz OBYTXDHNOYIFDH-NRFANRHFSA-N 2 0 383.536 3.601 20 10 GHCDRP CC[C@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccc(N(C)C)cc1 ZINC000840884742 1027921042 /nfs/dbraw/zinc/92/10/42/1027921042.db2.gz PHSZKMMWSGEAAJ-QHCPKHFHSA-N 2 0 381.564 3.820 20 10 GHCDRP COc1cc(C[NH+]2CCCC3(CCCC[NH2+]C3)CCC2)cc(C[NH+](C)C)c1O ZINC001222114393 1029969534 /nfs/dbraw/zinc/96/95/34/1029969534.db2.gz WTWHKHXOBFIYDF-UHFFFAOYSA-N 3 0 389.584 3.598 20 10 GHCDRP c1ccc2oc(-c3ccc(N4CC[NH+]([C@@H]5C[C@H]6C[NH2+]C[C@H]6C5)CC4)cc3)nc2c1 ZINC001247007840 1037831922 /nfs/dbraw/zinc/83/19/22/1037831922.db2.gz WWVHYLOYRCETQE-KXTWHKPSSA-N 2 0 388.515 3.615 20 10 GHCDRP C[N@H+](Cc1ccc(Cl)c(Cl)c1)Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001235442417 1040940134 /nfs/dbraw/zinc/94/01/34/1040940134.db2.gz VEFYMVJCYFLBGO-UHFFFAOYSA-N 2 0 380.319 3.741 20 10 GHCDRP Oc1cc2c(cc1C[NH+]1CCC(n3ccc4ccccc43)CC1)C[NH2+]CCO2 ZINC001236072529 1041523813 /nfs/dbraw/zinc/52/38/13/1041523813.db2.gz ICIYVIPUQVDZKL-UHFFFAOYSA-N 2 0 377.488 3.666 20 10 GHCDRP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)CC2CC2)CC1 ZINC001236554178 1041760835 /nfs/dbraw/zinc/76/08/35/1041760835.db2.gz WUAYADJARPEWSP-WGSAOQKQSA-N 2 0 377.960 3.659 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH+]3CCC4(Cc5ccccc5O4)CC3)c(F)c2)CC1 ZINC001236943429 1041966251 /nfs/dbraw/zinc/96/62/51/1041966251.db2.gz RLHSGSTWFPOPPG-UHFFFAOYSA-N 2 0 395.522 3.547 20 10 GHCDRP Oc1ccc2cc(Br)ccc2c1C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237418180 1042199495 /nfs/dbraw/zinc/19/94/95/1042199495.db2.gz WTPXLPNPHJWZJT-KDOFPFPSSA-N 2 0 375.310 3.882 20 10 GHCDRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001256523127 1043448540 /nfs/dbraw/zinc/44/85/40/1043448540.db2.gz NCKLINWKSZIMTP-ZJSXRUAMSA-N 3 0 392.591 3.581 20 10 GHCDRP CC[C@H]([NH2+]Cc1cccc(CN2CC[NH+](C)CC2)c1)c1ccc(N(C)C)cc1 ZINC001319189729 1055089251 /nfs/dbraw/zinc/08/92/51/1055089251.db2.gz IYCATTDTWAPCSO-DEOSSOPVSA-N 2 0 380.580 3.741 20 10 GHCDRP COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)c1O ZINC000848524357 1057148230 /nfs/dbraw/zinc/14/82/30/1057148230.db2.gz ICESMAIDKWROAB-ZIAGYGMSSA-N 2 0 385.346 3.934 20 10 GHCDRP CC[NH+]1CCN(Cc2ccc(C[NH2+]C/C=C\c3ccc(N(C)C)cc3)cc2)CC1 ZINC001473935673 1074210466 /nfs/dbraw/zinc/21/04/66/1074210466.db2.gz BUTXZNIOKISUKD-WAYWQWQTSA-N 2 0 392.591 3.693 20 10 GHCDRP C[NH+]1CCN(c2ccc(CNc3ccc4c(c3)C3(CC4)CC[NH2+]CC3)cc2)CC1 ZINC001167430977 840032754 /nfs/dbraw/zinc/03/27/54/840032754.db2.gz ABDIEPLGNYYTHW-UHFFFAOYSA-N 2 0 390.575 3.618 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+]C/C=C\c3ccccc3OC)cc2F)CC1 ZINC000730108560 860866469 /nfs/dbraw/zinc/86/64/69/860866469.db2.gz PFRDHKCEPSIHNZ-VURMDHGXSA-N 2 0 383.511 3.779 20 10 GHCDRP Cc1ccc(CCC[NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)cn1 ZINC000793024523 881899257 /nfs/dbraw/zinc/89/92/57/881899257.db2.gz AXXNJSVXXYNEBY-UHFFFAOYSA-N 2 0 378.564 3.644 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[N@@H+](Cc3cccs3)C[C@H]3CCCO3)cc2)CC1 ZINC000775644177 872226139 /nfs/dbraw/zinc/22/61/39/872226139.db2.gz FLYZIQGUXCTKEZ-OAQYLSRUSA-N 2 0 385.577 3.681 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CC4(CCC4)Oc4ccccc43)cc2)CC1 ZINC000771843326 875481450 /nfs/dbraw/zinc/48/14/50/875481450.db2.gz OKHPWHSGHCMLTK-JOCHJYFZSA-N 2 0 377.532 3.975 20 10 GHCDRP [O-]c1ccc(Cl)c(F)c1C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000790961383 880102981 /nfs/dbraw/zinc/10/29/81/880102981.db2.gz UONPQJIZMCQFRJ-UHFFFAOYSA-N 2 0 378.875 3.949 20 10 GHCDRP CC[C@@H]([NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1O ZINC000810210417 888322379 /nfs/dbraw/zinc/32/23/79/888322379.db2.gz UMGWJUGZUPQJMG-MSOLQXFVSA-N 2 0 387.490 3.724 20 10 GHCDRP COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)c1 ZINC000813331756 891512984 /nfs/dbraw/zinc/51/29/84/891512984.db2.gz UDEFCUHJEWAWGY-QGZVFWFLSA-N 2 0 383.536 3.782 20 10 GHCDRP COc1cccc(C[NH2+]CCc2ccc(OCC[N@@H+]3C[C@H](C)[C@H](C)C3)cc2)c1O ZINC000774825159 913625606 /nfs/dbraw/zinc/62/56/06/913625606.db2.gz RORRLMHRROFDQK-KDURUIRLSA-N 2 0 398.547 3.700 20 10 GHCDRP CN(Cc1cccs1)c1ccc(C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)cc1 ZINC000877746082 893785516 /nfs/dbraw/zinc/78/55/16/893785516.db2.gz GZNIJSQIJCZRNN-UHFFFAOYSA-N 2 0 398.620 3.596 20 10 GHCDRP COc1ccc(N2CCC([NH2+][C@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)CC2)cc1 ZINC000817903470 895955484 /nfs/dbraw/zinc/95/54/84/895955484.db2.gz PHKVSKJBTBFKPO-LADGPHEKSA-N 2 0 393.531 3.510 20 10 GHCDRP COc1ccc(N2CCC([NH2+][C@@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)CC2)cc1 ZINC000817903473 895956264 /nfs/dbraw/zinc/95/62/64/895956264.db2.gz PHKVSKJBTBFKPO-VWNXMTODSA-N 2 0 393.531 3.510 20 10 GHCDRP C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000778643772 897841718 /nfs/dbraw/zinc/84/17/18/897841718.db2.gz WIOJERSTNKTZSH-KNQAVFIVSA-N 2 0 397.538 3.663 20 10 GHCDRP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000773143678 904483578 /nfs/dbraw/zinc/48/35/78/904483578.db2.gz CBLPFKSUEFHDCA-SFHVURJKSA-N 2 0 394.519 3.978 20 10 GHCDRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000174450735 905275304 /nfs/dbraw/zinc/27/53/04/905275304.db2.gz OEYJTBWWUCUKQT-UHFFFAOYSA-N 2 0 380.444 3.636 20 10 GHCDRP Cc1cc(Br)cc([C@@H](C)[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)c1O ZINC000187224295 908056668 /nfs/dbraw/zinc/05/66/68/908056668.db2.gz XSNRDLDKMUAIOP-HUUCEWRRSA-N 2 0 397.357 3.615 20 10 GHCDRP Fc1cc(C[NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)cnc1Cl ZINC001178203189 908937186 /nfs/dbraw/zinc/93/71/86/908937186.db2.gz ACWWHLQQOOKDRS-UHFFFAOYSA-N 2 0 388.918 3.696 20 10 GHCDRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC001179339006 909497116 /nfs/dbraw/zinc/49/71/16/909497116.db2.gz QEBAQTRJNARJAC-REWPJTCUSA-N 2 0 393.575 3.505 20 10 GHCDRP Cc1cc(C)c([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)c(O)c1 ZINC000293679615 916325129 /nfs/dbraw/zinc/32/51/29/916325129.db2.gz KHQKBLGRDMWQLF-NQIIRXRSSA-N 2 0 395.547 3.557 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCO[C@H](c4ccc(F)cc4)C3)cc2)CC1 ZINC000757970648 929874677 /nfs/dbraw/zinc/87/46/77/929874677.db2.gz MBUIVVYCZDUJSC-GMAHTHKFSA-N 2 0 383.511 3.587 20 10 GHCDRP COc1ccc(C2(C[NH2+]Cc3ccc(N4CC[NH+](C)CC4)cc3)CCC2)cc1 ZINC000784652100 931969275 /nfs/dbraw/zinc/96/92/75/931969275.db2.gz DYCOEIYYWZCAFB-UHFFFAOYSA-N 2 0 379.548 3.659 20 10 GHCDRP C[N@@H+]1CC[C@H]([NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)[C@@H]2CCC[C@H]21 ZINC000796747272 932052441 /nfs/dbraw/zinc/05/24/41/932052441.db2.gz UUHFZGKEPGLOPE-SLFFLAALSA-N 2 0 379.495 3.719 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@H](Oc4ncccc4C)C3)cc2)CC1 ZINC001140309766 1021369794 /nfs/dbraw/zinc/36/97/94/1021369794.db2.gz UCSFMIKGAJYHED-HSZRJFAPSA-N 2 0 394.563 3.575 20 10 GHCDRP C[C@@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1cc2c(cc1O)CCCC2 ZINC000756433194 1023645864 /nfs/dbraw/zinc/64/58/64/1023645864.db2.gz AMBVKTWPIUJMOF-LJQANCHMSA-N 2 0 393.575 3.869 20 10 GHCDRP CCOc1cc(C[NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)ccc1O ZINC000838981063 1025498262 /nfs/dbraw/zinc/49/82/62/1025498262.db2.gz CHLMZXOHXRQGCI-UHFFFAOYSA-N 2 0 395.547 3.613 20 10 GHCDRP COc1ccc(C2CC[NH+](Cc3cc(C[NH+](C)C)c(O)c(OC)c3)CC2)cc1 ZINC001139257151 1026107770 /nfs/dbraw/zinc/10/77/70/1026107770.db2.gz SYEAZBIOJJNIIW-UHFFFAOYSA-N 2 0 384.520 3.851 20 10 GHCDRP CCCC[N@H+](C)C[C@H](C)NC(=O)Cn1c2ccccc2c2c1CC[NH+](C(C)C)C2 ZINC001141698518 1026280821 /nfs/dbraw/zinc/28/08/21/1026280821.db2.gz IWIVKVPEBBDMRP-IBGZPJMESA-N 2 0 398.595 3.644 20 10 GHCDRP CC[NH+]1CCC(CC2CC[NH+](Cc3ccc(N4CC[NH+](C)CC4)cc3)CC2)CC1 ZINC001139411045 1026282574 /nfs/dbraw/zinc/28/25/74/1026282574.db2.gz ROWFVAOMNDFLHL-UHFFFAOYSA-N 3 0 398.639 3.772 20 10 GHCDRP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001139411417 1026283827 /nfs/dbraw/zinc/28/38/27/1026283827.db2.gz KSNDMJGQQTWCFF-VWLOTQADSA-N 2 0 392.591 3.535 20 10 GHCDRP Oc1ccc(Br)cc1CN1C[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]2C1 ZINC001203640096 1027499679 /nfs/dbraw/zinc/49/96/79/1027499679.db2.gz ROXNEQKCGQPIIL-GASCZTMLSA-N 2 0 393.350 3.780 20 10 GHCDRP C[C@@H]1C[C@@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)c2c1c(F)ccc2O ZINC000840883989 1027921212 /nfs/dbraw/zinc/92/12/12/1027921212.db2.gz IHDRPFCOVZQOIL-VQIMIIECSA-N 2 0 384.495 3.696 20 10 GHCDRP Cc1c2ccccc2n(C)c1C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC001461382254 1069526464 /nfs/dbraw/zinc/52/64/64/1069526464.db2.gz SPBHBYKKNRHRJA-OAQYLSRUSA-N 2 0 377.532 3.733 20 10 GHCDRP CN(C)c1ccc(/C=C/C[N@H+](C)CCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001205741064 1033554975 /nfs/dbraw/zinc/55/49/75/1033554975.db2.gz RKURAQSDJMKEET-JXMROGBWSA-N 2 0 392.591 3.515 20 10 GHCDRP C[NH+]1CCC(C2CC[NH+](Cc3ccc(N4CCOCC4)c(Cl)c3)CC2)CC1 ZINC001232203308 1035160099 /nfs/dbraw/zinc/16/00/99/1035160099.db2.gz STBXGYJNAGSVHR-UHFFFAOYSA-N 2 0 391.987 3.730 20 10 GHCDRP Oc1cc(C(F)(F)F)ccc1C[NH+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001233454417 1039344263 /nfs/dbraw/zinc/34/42/63/1039344263.db2.gz UGBJVLYEKXAMMI-ROUUACIJSA-N 2 0 376.422 3.975 20 10 GHCDRP COc1cc(O)c(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)c(Br)c1 ZINC001235236272 1040716143 /nfs/dbraw/zinc/71/61/43/1040716143.db2.gz DGERNUMSPMOVKG-QGZVFWFLSA-N 2 0 383.330 3.517 20 10 GHCDRP Oc1c(C[N@H+](Cc2ccccc2)C2CC[NH2+]CC2)cc2c3c1CCCN3CCC2 ZINC001236300569 1041665323 /nfs/dbraw/zinc/66/53/23/1041665323.db2.gz SSTIJSXBUMOKAD-UHFFFAOYSA-N 2 0 391.559 3.845 20 10 GHCDRP Oc1c(C[N@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)cc2c3c1CCCN3CCC2 ZINC001236373386 1041685977 /nfs/dbraw/zinc/68/59/77/1041685977.db2.gz HDQPRPATFXYBBC-SFHVURJKSA-N 2 0 383.580 3.835 20 10 GHCDRP COc1cc(O)c(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cc1OC ZINC001236755667 1041874350 /nfs/dbraw/zinc/87/43/50/1041874350.db2.gz FVGLMCCGFIXZER-VQTJNVASSA-N 2 0 396.531 3.753 20 10 GHCDRP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2cc3c(cc2O)OCC[NH2+]C3)CC2CCCCC2)CC1 ZINC001236767928 1041880185 /nfs/dbraw/zinc/88/01/85/1041880185.db2.gz KPJKASZUSLVAML-MEMLXQNLSA-N 3 0 387.568 3.526 20 10 GHCDRP COc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c(O)c1OC ZINC001462654163 1070445734 /nfs/dbraw/zinc/44/57/34/1070445734.db2.gz NHAYLBPJVMMMOX-QHAWAJNXSA-N 2 0 396.531 3.800 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH2+]CCOc3cccc(Cl)c3Cl)cc2)CC1 ZINC001473953177 1074216269 /nfs/dbraw/zinc/21/62/69/1074216269.db2.gz FNVIHKOMHPLYPT-UHFFFAOYSA-N 2 0 394.346 3.914 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCOC4(CCCC4)C3)cc2F)CC1 ZINC001473983241 1074225840 /nfs/dbraw/zinc/22/58/40/1074225840.db2.gz WKXPFMQFYAXVGA-IBGZPJMESA-N 2 0 375.532 3.549 20 10 GHCDRP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1cc(Br)ccc1O ZINC000274897688 835787329 /nfs/dbraw/zinc/78/73/29/835787329.db2.gz KPRMGWWIRKOYSX-JENIJYKNSA-N 2 0 397.357 3.573 20 10 GHCDRP C[NH+]1CCN(c2ccc(CNc3cccc4c3C3(C=C4)CC[NH2+]CC3)cc2)CC1 ZINC001167431211 840034713 /nfs/dbraw/zinc/03/47/13/840034713.db2.gz MNGHCQWKFQONIH-UHFFFAOYSA-N 2 0 388.559 3.699 20 10 GHCDRP CC[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1cc(Br)ccc1O ZINC000155894895 840373136 /nfs/dbraw/zinc/37/31/36/840373136.db2.gz MMNCDHXOGGWLEM-RDTXWAMCSA-N 2 0 397.357 3.696 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3ccc(OC)cc3F)cc2F)CC1 ZINC000765850851 855660443 /nfs/dbraw/zinc/66/04/43/855660443.db2.gz BWLCJPAVYZAPLN-MRXNPFEDSA-N 2 0 389.490 3.966 20 10 GHCDRP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3c(O)cccc3Cl)C2)ccn1 ZINC000856552720 881375228 /nfs/dbraw/zinc/37/52/28/881375228.db2.gz GJGHZALFOVBIGV-KRWDZBQOSA-N 2 0 375.900 3.546 20 10 GHCDRP C[C@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000764675483 859562644 /nfs/dbraw/zinc/56/26/44/859562644.db2.gz BEBFCTXGGYUFSC-IBGZPJMESA-N 2 0 385.527 3.835 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[N@H+](Cc3ccco3)Cc3ccccc3O)cc2)CC1 ZINC000775634346 872149571 /nfs/dbraw/zinc/14/95/71/872149571.db2.gz RSFAVKXWODIPJZ-UHFFFAOYSA-N 2 0 391.515 3.939 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH+]3CCC(c4c[nH]c5ncccc45)CC3)cc2)CC1 ZINC000775656040 872404238 /nfs/dbraw/zinc/40/42/38/872404238.db2.gz NYNMRXMESPGGQG-UHFFFAOYSA-N 2 0 389.547 3.694 20 10 GHCDRP Cn1c2ccccc2nc1[C@H]1CCC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775657686 872424990 /nfs/dbraw/zinc/42/49/90/872424990.db2.gz GOMNJDREHNIGPT-HSZRJFAPSA-N 2 0 389.547 3.662 20 10 GHCDRP COCCCC[N@H+](Cc1ccccc1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775661592 872477057 /nfs/dbraw/zinc/47/70/57/872477057.db2.gz NXOOWWMPNLKRGX-UHFFFAOYSA-N 2 0 381.564 3.867 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCCC[C@H]3[C@H](O)c3ccccc3)cc2)CC1 ZINC000775669239 872586718 /nfs/dbraw/zinc/58/67/18/872586718.db2.gz ICCBRYDCXRYGKO-BJKOFHAPSA-N 2 0 379.548 3.527 20 10 GHCDRP C[C@@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@H](c2ccc(F)cc2)O1 ZINC000775715136 873094872 /nfs/dbraw/zinc/09/48/72/873094872.db2.gz CLKTXAQGTKIOEA-WZONZLPQSA-N 2 0 383.511 3.540 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@H](OCCCc4ccccc4)C3)cc2)CC1 ZINC000775734702 873291627 /nfs/dbraw/zinc/29/16/27/873291627.db2.gz XEHYDDISIGRKJA-VWLOTQADSA-N 2 0 393.575 3.662 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H](O)c3c(Cl)cccc3Cl)cc2)CC1 ZINC000771842361 875481207 /nfs/dbraw/zinc/48/12/07/875481207.db2.gz MQZGOCOPXMYUHH-IBGZPJMESA-N 2 0 394.346 3.568 20 10 GHCDRP COc1cc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c(O)c(C(C)(C)C)c1 ZINC000850194286 876722048 /nfs/dbraw/zinc/72/20/48/876722048.db2.gz DGEYGWASCQZUPC-LEWJYISDSA-N 2 0 390.568 3.556 20 10 GHCDRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000237663675 877776806 /nfs/dbraw/zinc/77/68/06/877776806.db2.gz AFAKFCSCMMFESF-QGZVFWFLSA-N 2 0 375.601 3.713 20 10 GHCDRP Oc1cc2c(cc1C[N@@H+]1CCC3(C1)CC[NH+](Cc1ccccc1)CC3)OCO2 ZINC000814223666 892415984 /nfs/dbraw/zinc/41/59/84/892415984.db2.gz LIDKJLIOAZPRSN-UHFFFAOYSA-N 2 0 380.488 3.609 20 10 GHCDRP CN(C)c1ccc([C@H]([NH3+])CN[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000817939188 895968533 /nfs/dbraw/zinc/96/85/33/895968533.db2.gz AHTVCKFXLQGHPE-GNLZIIPMSA-N 2 0 378.564 3.538 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCCc4nc(C)sc43)cc2F)CC1 ZINC000155299902 898576288 /nfs/dbraw/zinc/57/62/88/898576288.db2.gz NZQADIGEXRSBAW-GOSISDBHSA-N 2 0 388.556 3.900 20 10 GHCDRP COc1cccc([C@H](C)[NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)c1O ZINC000846158712 902727005 /nfs/dbraw/zinc/72/70/05/902727005.db2.gz KEIBLWXOMIUZKN-SFHVURJKSA-N 2 0 384.520 3.769 20 10 GHCDRP COc1cc(C[NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)cc(OC)c1 ZINC000092855783 911866653 /nfs/dbraw/zinc/86/66/53/911866653.db2.gz BVUDSUGMPRGRGN-UHFFFAOYSA-N 2 0 395.547 3.526 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@]3(Cc4ccc(Cl)cc4)CCOC3)cc2)CC1 ZINC000800310823 919886185 /nfs/dbraw/zinc/88/61/85/919886185.db2.gz FMJGQDYRJREIDQ-QHCPKHFHSA-N 2 0 399.966 3.583 20 10 GHCDRP CC(C)n1ccc(C[C@@H](C)[NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)n1 ZINC000783524043 931571916 /nfs/dbraw/zinc/57/19/16/931571916.db2.gz FKFOAYOUMWTSEZ-HXUWFJFHSA-N 2 0 395.595 3.717 20 10 GHCDRP CC[NH+]1CCN(c2ccc(CN(Cc3ccccc3)[C@H]3CCC[NH2+]C3)cc2)CC1 ZINC001236268636 1032592197 /nfs/dbraw/zinc/59/21/97/1032592197.db2.gz BQRKMKWOCXVVLI-VWLOTQADSA-N 2 0 392.591 3.583 20 10 GHCDRP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCCSc2nccs2)CC1 ZINC000756121371 1023528073 /nfs/dbraw/zinc/52/80/73/1023528073.db2.gz ZVULFTBUVOCLAR-UHFFFAOYSA-N 2 0 390.622 3.947 20 10 GHCDRP C[C@@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1ccc2ccccc2c1O ZINC000756507812 1023689604 /nfs/dbraw/zinc/68/96/04/1023689604.db2.gz FWHSGUAHWRSEFB-LJQANCHMSA-N 2 0 390.531 3.803 20 10 GHCDRP C[C@@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1cc2c(cc1O)CCCC2 ZINC000756511302 1023691650 /nfs/dbraw/zinc/69/16/50/1023691650.db2.gz VBLQETSOUUMJRG-LJQANCHMSA-N 2 0 394.563 3.529 20 10 GHCDRP CN1CCOc2cc(C[N@@H+]3CCCC4=C[C@H]5C[C@H](C[NH+]6CCCC[C@H]56)[C@@H]43)ccc21 ZINC001141144572 1023963362 /nfs/dbraw/zinc/96/33/62/1023963362.db2.gz GZNXXBSCWJNDCN-IYXIZZNPSA-N 2 0 393.575 3.910 20 10 GHCDRP CC[NH+](CC)CCOc1ccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC001461075869 1069377239 /nfs/dbraw/zinc/37/72/39/1069377239.db2.gz OVXBTBWRKXXIQN-UHFFFAOYSA-N 2 0 396.579 3.771 20 10 GHCDRP COc1ccc(N2CC[NH+](CCCNc3ccccc3C(C)(C)[NH3+])CC2)cc1 ZINC001164336369 1026490467 /nfs/dbraw/zinc/49/04/67/1026490467.db2.gz ZIQHUEAPIXPYMO-UHFFFAOYSA-N 2 0 382.552 3.513 20 10 GHCDRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1Oc1ccc(N2CC[NH2+]CC2)cc1 ZINC001218247561 1030850479 /nfs/dbraw/zinc/85/04/79/1030850479.db2.gz QKHAECYNGONRGB-HSZRJFAPSA-N 2 0 379.548 3.776 20 10 GHCDRP C[C@H]1CC([NH2+]Cc2ccc(N3CC[NH2+]CC3)cc2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001246171859 1037223200 /nfs/dbraw/zinc/22/32/00/1037223200.db2.gz FQRCODYVDYLVGZ-SFTDATJTSA-N 3 0 392.591 3.627 20 10 GHCDRP Cc1cnccc1O[C@H]1CC[N@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC001233111760 1038903393 /nfs/dbraw/zinc/90/33/93/1038903393.db2.gz WRIDSMDMHKIFIX-INIZCTEOSA-N 2 0 377.282 3.820 20 10 GHCDRP Clc1cc(N2CCOCC2)ccc1C[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235236972 1040718063 /nfs/dbraw/zinc/71/80/63/1040718063.db2.gz IIOARBIZIQWMHO-OAQYLSRUSA-N 2 0 377.960 3.531 20 10 GHCDRP Clc1cc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)ccc1N1CCOCC1 ZINC001235243060 1040724687 /nfs/dbraw/zinc/72/46/87/1040724687.db2.gz VQJJCGIQCPFSRU-HXUWFJFHSA-N 2 0 377.960 3.531 20 10 GHCDRP COc1cc(O)c(C[N@@H+](Cc2ccc(F)cc2)CC2CC[NH2+]CC2)cc1OC ZINC001236384791 1041692568 /nfs/dbraw/zinc/69/25/68/1041692568.db2.gz CTHADFGVHBGQHJ-UHFFFAOYSA-N 2 0 388.483 3.550 20 10 GHCDRP COc1cc(Br)cc(C[N@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)c1O ZINC001236550227 1041758899 /nfs/dbraw/zinc/75/88/99/1041758899.db2.gz IZHMHASICBXRHD-WKILWMFISA-N 2 0 385.346 3.891 20 10 GHCDRP COc1cc(O)c(C[NH+]2CCN(c3cc(C)[nH+]c4ccccc43)CC2)cc1OC ZINC001236750383 1041871699 /nfs/dbraw/zinc/87/16/99/1041871699.db2.gz RQMZUBFUUHNBPQ-UHFFFAOYSA-N 2 0 393.487 3.588 20 10 GHCDRP Oc1ccc2cc(Br)ccc2c1C[N@@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237418182 1042199097 /nfs/dbraw/zinc/19/90/97/1042199097.db2.gz WTPXLPNPHJWZJT-RDTXWAMCSA-N 2 0 375.310 3.882 20 10 GHCDRP COc1cc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c(O)c(OC)c1 ZINC001237675145 1042317205 /nfs/dbraw/zinc/31/72/05/1042317205.db2.gz AQLSXOQUMXHFKF-UHFFFAOYSA-N 2 0 396.531 3.898 20 10 GHCDRP Cc1cc(Br)cc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c1O ZINC001462661897 1070452666 /nfs/dbraw/zinc/45/26/66/1070452666.db2.gz GEQKYXDYPATUGS-UHFFFAOYSA-N 2 0 376.298 3.617 20 10 GHCDRP Cc1c(C[NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)cccc1[N+](=O)[O-] ZINC001308334011 1049951559 /nfs/dbraw/zinc/95/15/59/1049951559.db2.gz USMCBSBOCBKFHP-UHFFFAOYSA-N 2 0 394.519 3.725 20 10 GHCDRP CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3ccc(N4CCCC4)cc3)CC2)CC1 ZINC001320510730 1055851281 /nfs/dbraw/zinc/85/12/81/1055851281.db2.gz XSZSOCBHSAFPJH-UHFFFAOYSA-N 2 0 398.639 3.915 20 10 GHCDRP Cc1ccc(-c2nc(CC[NH2+]Cc3ccc(N4CC[NH+](C)CC4)cc3)co2)cc1 ZINC001473971550 1074222109 /nfs/dbraw/zinc/22/21/09/1074222109.db2.gz UMETYOATMGGMQY-UHFFFAOYSA-N 2 0 390.531 3.734 20 10 GHCDRP COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000248491056 845342472 /nfs/dbraw/zinc/34/24/72/845342472.db2.gz IMROEIBPLYBQHL-FGTMMUONSA-N 2 0 384.520 3.861 20 10 GHCDRP CC(C)[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccc(N(C)C)cc3)C2)ccn1 ZINC000856560276 881440404 /nfs/dbraw/zinc/44/04/04/881440404.db2.gz GUTCXBWPWKHHRG-HSZRJFAPSA-N 2 0 382.552 3.641 20 10 GHCDRP Oc1ccc2oc3c(c2c1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1)CCCC3 ZINC000738112073 865494804 /nfs/dbraw/zinc/49/48/04/865494804.db2.gz RCLIBCWRESQRIV-UHFFFAOYSA-N 2 0 398.547 3.952 20 10 GHCDRP C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1cc(F)ccc1O ZINC000185360894 866017367 /nfs/dbraw/zinc/01/73/67/866017367.db2.gz ZPNDTSSIZPTFKA-HUUCEWRRSA-N 2 0 375.463 3.834 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3cc(F)ccc3O)cc2F)CC1 ZINC000185393846 866053398 /nfs/dbraw/zinc/05/33/98/866053398.db2.gz YIDSTTDBVJXTPQ-OAHLLOKOSA-N 2 0 375.463 3.663 20 10 GHCDRP Oc1ccc(-c2ccccc2)cc1C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000767927441 872937803 /nfs/dbraw/zinc/93/78/03/872937803.db2.gz UPJHGNNZUBMAGK-ISKFKSNPSA-N 2 0 380.532 3.917 20 10 GHCDRP Oc1ccc(-c2ccccc2)cc1C[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000767927451 872939272 /nfs/dbraw/zinc/93/92/72/872939272.db2.gz UPJHGNNZUBMAGK-UPVQGACJSA-N 2 0 380.532 3.917 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH2+]C3(c4ccc(Cl)cc4)CCOCC3)cc2)CC1 ZINC000771840012 875481218 /nfs/dbraw/zinc/48/12/18/875481218.db2.gz CQKJGIBFMNLVHK-UHFFFAOYSA-N 2 0 399.966 3.887 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH2+]CCc3c[nH]c4cc(Cl)ccc34)cc2)CC1 ZINC000771818945 875494367 /nfs/dbraw/zinc/49/43/67/875494367.db2.gz NXVDAPGNFBIAGJ-UHFFFAOYSA-N 2 0 382.939 3.905 20 10 GHCDRP COc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1Cn1cccn1 ZINC001201946556 875948707 /nfs/dbraw/zinc/94/87/07/875948707.db2.gz GYEQHTRNSYDTRT-UYAOXDASSA-N 2 0 382.552 3.683 20 10 GHCDRP Cc1ccccc1[C@@H]([C@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)N(C)C ZINC000785560241 876107842 /nfs/dbraw/zinc/10/78/42/876107842.db2.gz PDDKMDVAOPDLNT-GBXCKJPGSA-N 2 0 380.580 3.528 20 10 GHCDRP COc1ccc([C@@H](C)[C@@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)cc1OC ZINC001183525867 912585400 /nfs/dbraw/zinc/58/54/00/912585400.db2.gz ISNZREVPVJZYDL-RBUKOAKNSA-N 2 0 397.563 3.737 20 10 GHCDRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2ccc(N3CCCCC3)c(F)c2)CC1 ZINC000121136782 888961722 /nfs/dbraw/zinc/96/17/22/888961722.db2.gz QODGTYYGEVZFEN-PMACEKPBSA-N 2 0 390.591 3.740 20 10 GHCDRP C[NH+]1CCN(C2CC[NH+](Cc3cc4oc5ccccc5c4cc3O)CC2)CC1 ZINC000872732852 891316073 /nfs/dbraw/zinc/31/60/73/891316073.db2.gz JRAQULWGCQWHEV-UHFFFAOYSA-N 2 0 379.504 3.503 20 10 GHCDRP CC(C)[C@H](C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O)N1CC[NH+](C)CC1 ZINC000815558044 893997201 /nfs/dbraw/zinc/99/72/01/893997201.db2.gz OCHHMNIIHPVYCB-ZEQRLZLVSA-N 2 0 395.591 3.928 20 10 GHCDRP Oc1ccc(F)cc1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000816643609 894986958 /nfs/dbraw/zinc/98/69/58/894986958.db2.gz KMHCNONUJPYLKM-FQEVSTJZSA-N 2 0 384.495 3.550 20 10 GHCDRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000817888653 895931073 /nfs/dbraw/zinc/93/10/73/895931073.db2.gz OCFOWKLJINXCIT-FYYLOGMGSA-N 2 0 395.572 3.585 20 10 GHCDRP CC(C)[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1ccc2[nH]c(=O)oc2c1 ZINC000883290482 897456418 /nfs/dbraw/zinc/45/64/18/897456418.db2.gz WHLHGUCVKMEBIB-JOCHJYFZSA-N 2 0 394.519 3.772 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@H](C[C@H]3CCOC3)c3ccccc3)cc2)CC1 ZINC000883290601 897456540 /nfs/dbraw/zinc/45/65/40/897456540.db2.gz ZJQXHTFZFDDTDK-ZJSXRUAMSA-N 2 0 379.548 3.696 20 10 GHCDRP Cc1cc(O)c(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cc1Cl ZINC000824895009 899864976 /nfs/dbraw/zinc/86/49/76/899864976.db2.gz ORMKKLMSZSVPSD-UHFFFAOYSA-N 2 0 394.003 3.982 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCc4cc(F)c(F)c(F)c43)cc2)CC1 ZINC000825046610 899950380 /nfs/dbraw/zinc/95/03/80/899950380.db2.gz VVUMSHOYTHTURX-GOSISDBHSA-N 2 0 375.438 3.633 20 10 GHCDRP CCc1noc(C)c1[C@H](C)[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000773145063 904479692 /nfs/dbraw/zinc/47/96/92/904479692.db2.gz IGTDWFPUYRPTSD-KRWDZBQOSA-N 2 0 382.552 3.928 20 10 GHCDRP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cc(Br)ccc1O ZINC000186126610 907882541 /nfs/dbraw/zinc/88/25/41/907882541.db2.gz DRZKUNTWEBINEQ-FMEYXAORSA-N 2 0 397.357 3.573 20 10 GHCDRP Oc1cc(Br)ccc1C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000827010892 924542422 /nfs/dbraw/zinc/54/24/22/924542422.db2.gz AVYOQJMYUISKAU-UHFFFAOYSA-N 2 0 390.325 3.552 20 10 GHCDRP COc1cc(O)c(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)cc1OC ZINC000827620622 925842735 /nfs/dbraw/zinc/84/27/35/925842735.db2.gz HIWZRSRQBUTISB-HXUWFJFHSA-N 2 0 396.531 3.801 20 10 GHCDRP C[C@]1(C[NH2+]Cc2ccc(N3CCOCC3)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000798497869 932672249 /nfs/dbraw/zinc/67/22/49/932672249.db2.gz GNEPKHDTLCINRS-XMMPIXPASA-N 2 0 379.548 3.525 20 10 GHCDRP Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC001116585197 933647648 /nfs/dbraw/zinc/64/76/48/933647648.db2.gz SOCVDOYRGWHTEP-RXVVDRJESA-N 2 0 379.548 3.786 20 10 GHCDRP C[N@H+](CCOc1cccc(C[NH2+][C@H]2CCc3cccc(O)c32)c1)C1CCOCC1 ZINC000834562118 1021273902 /nfs/dbraw/zinc/27/39/02/1021273902.db2.gz CPTDJGSVGFQDJQ-QFIPXVFZSA-N 2 0 396.531 3.659 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3CCCC[C@@H]3C[C@@H]3CCC[NH+]3C)cc2)CC1 ZINC001140306768 1021362993 /nfs/dbraw/zinc/36/29/93/1021362993.db2.gz XANNFCTVGFASRQ-BJKOFHAPSA-N 3 0 384.612 3.667 20 10 GHCDRP Cc1ccc(C[N@@H+]2CCOC3(CC[NH+](Cc4ccc(C)cc4O)CC3)C2)cc1 ZINC001140949495 1022969546 /nfs/dbraw/zinc/96/95/46/1022969546.db2.gz DAKLSENBRAHKDU-UHFFFAOYSA-N 2 0 380.532 3.876 20 10 GHCDRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)c2c1c(F)ccc2O ZINC000756434741 1023647562 /nfs/dbraw/zinc/64/75/62/1023647562.db2.gz OZLTWCLBHSCIKH-OXQOHEQNSA-N 2 0 383.511 3.617 20 10 GHCDRP COc1cc(C[NH+]2CCC(Oc3cccc(C)c3)CC2)cc(C[NH+](C)C)c1O ZINC001139258602 1026110298 /nfs/dbraw/zinc/11/02/98/1026110298.db2.gz UVRSIIHREGSHGF-UHFFFAOYSA-N 2 0 384.520 3.814 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH+]3CCC(C(=O)c4ccccc4F)CC3)cc2)CC1 ZINC001139411507 1026283448 /nfs/dbraw/zinc/28/34/48/1026283448.db2.gz PIQPGBUEAPHZOM-UHFFFAOYSA-N 2 0 395.522 3.672 20 10 GHCDRP Cc1cc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccccc2)CCO3)ccc1N(C)C ZINC001139671835 1026526368 /nfs/dbraw/zinc/52/63/68/1026526368.db2.gz OEGINVCIRMKHDM-UHFFFAOYSA-N 2 0 393.575 3.928 20 10 GHCDRP Oc1cc2c(cc1C[NH+]1CCC(Oc3ccc(Cl)cc3)CC1)C[NH2+]CCO2 ZINC001209894960 1027266370 /nfs/dbraw/zinc/26/63/70/1027266370.db2.gz QQJOZQZGGHIWSI-UHFFFAOYSA-N 2 0 388.895 3.571 20 10 GHCDRP O=C(c1ccc(F)cc1)c1ccccc1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210265909 1027412940 /nfs/dbraw/zinc/41/29/40/1027412940.db2.gz DUNSCTUYKHJLKA-UHFFFAOYSA-N 2 0 376.435 3.605 20 10 GHCDRP COc1cc(C[N@H+]2C[C@H]3c4ccccc4[C@H]([NH+](C)C(C)C)[C@H]3C2)c(O)cc1O ZINC001231636765 1034795393 /nfs/dbraw/zinc/79/53/93/1034795393.db2.gz VVMRHZSYDNERKE-YDHSSHFGSA-N 2 0 382.504 3.717 20 10 GHCDRP Oc1cc(Br)ccc1C[NH2+][C@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246343239 1037303244 /nfs/dbraw/zinc/30/32/44/1037303244.db2.gz KDEVLHQOKNQCPN-ZWKOTPCHSA-N 2 0 375.310 3.608 20 10 GHCDRP C[NH+]1CCC2(C[NH+](Cc3c(O)ccc4cc(Br)ccc43)C2)CC1 ZINC001233195439 1038962052 /nfs/dbraw/zinc/96/20/52/1038962052.db2.gz ITAAOFRZGAVJPN-UHFFFAOYSA-N 2 0 375.310 3.836 20 10 GHCDRP COCCC[N@H+](Cc1ccc(OCc2ccccc2)cc1O)C1CC[NH2+]CC1 ZINC001235938452 1041443704 /nfs/dbraw/zinc/44/37/04/1041443704.db2.gz WKSOONKLEKDWPV-UHFFFAOYSA-N 2 0 384.520 3.562 20 10 GHCDRP Clc1ccc(O[C@H]2CCC[N@H+](Cc3ccc(N4CC[NH2+]CC4)cc3)C2)cc1 ZINC001235975119 1041479224 /nfs/dbraw/zinc/47/92/24/1041479224.db2.gz WLMBFECTMPCPSF-QFIPXVFZSA-N 2 0 385.939 3.793 20 10 GHCDRP CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001236238042 1041638525 /nfs/dbraw/zinc/63/85/25/1041638525.db2.gz XWNZCWZJZKUWOG-BVSLBCMMSA-N 2 0 399.579 3.571 20 10 GHCDRP Clc1cc(N2CCOCC2)ccc1C[N@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236374237 1041685955 /nfs/dbraw/zinc/68/59/55/1041685955.db2.gz BQVRWKSMIPKLBB-SFHVURJKSA-N 2 0 391.987 3.921 20 10 GHCDRP COc1ccc(C[N@H+](Cc2c(C)cc(OC)cc2O)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236545343 1041758922 /nfs/dbraw/zinc/75/89/22/1041758922.db2.gz OJTDOZVKTQZPFR-WGSAOQKQSA-N 2 0 384.520 3.990 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH+]3CCC4(CC3)OCc3ccccc34)c(F)c2)CC1 ZINC001236937440 1041964922 /nfs/dbraw/zinc/96/49/22/1041964922.db2.gz HOPAIVNRLIXLJP-UHFFFAOYSA-N 2 0 395.522 3.599 20 10 GHCDRP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000195137304 840412449 /nfs/dbraw/zinc/41/24/49/840412449.db2.gz OPZCTEJQGKNTGX-CTNGQTDRSA-N 2 0 397.538 3.835 20 10 GHCDRP C[C@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000195137292 840412937 /nfs/dbraw/zinc/41/29/37/840412937.db2.gz OPZCTEJQGKNTGX-FPOVZHCZSA-N 2 0 397.538 3.835 20 10 GHCDRP CC[NH+]1CCC(CC[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2Cl)CC1 ZINC000121677014 844974832 /nfs/dbraw/zinc/97/48/32/844974832.db2.gz JLAGMROIVKUATM-KRWDZBQOSA-N 2 0 379.976 3.949 20 10 GHCDRP CN(C)c1ccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c(C(F)(F)F)c1 ZINC000792832253 881718959 /nfs/dbraw/zinc/71/89/59/881718959.db2.gz KIQWSKXTLPSEHC-UHFFFAOYSA-N 2 0 399.501 3.848 20 10 GHCDRP Cc1cc(C)c([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)c(O)c1 ZINC000840889140 866190145 /nfs/dbraw/zinc/19/01/45/866190145.db2.gz OWNOAKJLOCYEPB-GOSISDBHSA-N 2 0 395.547 3.557 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@H](C(=O)c4ccc(F)cc4)C3)cc2)CC1 ZINC000775715202 873093322 /nfs/dbraw/zinc/09/33/22/873093322.db2.gz UJPZHLUPRFHIIR-NRFANRHFSA-N 2 0 395.522 3.672 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH2+]CC3(CCOCc4ccccc4)CC3)cc2)CC1 ZINC000769929880 874372944 /nfs/dbraw/zinc/37/29/44/874372944.db2.gz MRZBJMICMKPUQB-UHFFFAOYSA-N 2 0 393.575 3.915 20 10 GHCDRP COc1cc(O)c(C[NH2+]CC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cc1OC ZINC000776251991 876030484 /nfs/dbraw/zinc/03/04/84/876030484.db2.gz HVRIGPABYBQRNA-MJGOQNOKSA-N 2 0 384.520 3.800 20 10 GHCDRP COc1ccc(N2CC[C@H]([NH2+][C@@H](C)[C@@H]3CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC000850487509 876962499 /nfs/dbraw/zinc/96/24/99/876962499.db2.gz HLWYBWDLXZAPLQ-NNWRFLSQSA-N 2 0 379.548 3.774 20 10 GHCDRP COc1ccc(N2CC[C@@H]([NH2+][C@@H](C)c3ccc(OCC[NH+](C)C)cc3)C2)cc1 ZINC000850488808 876966238 /nfs/dbraw/zinc/96/62/38/876966238.db2.gz OVTRRKMCKWUKCY-AZUAARDMSA-N 2 0 383.536 3.565 20 10 GHCDRP COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c1O ZINC000853241015 878924236 /nfs/dbraw/zinc/92/42/36/878924236.db2.gz RRQAHCBZIRJTJQ-ZFWWWQNUSA-N 2 0 397.357 3.936 20 10 GHCDRP CC[C@@H]([NH2+]C[C@@H](C)CN1CC[NH+](CC)CC1)c1ccc(C(F)(F)F)cc1O ZINC000810215510 888293544 /nfs/dbraw/zinc/29/35/44/888293544.db2.gz GOKSGEUWFZCCRN-CRAIPNDOSA-N 2 0 387.490 3.725 20 10 GHCDRP CCN(C)c1ccc([C@@H](C)[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)cc1 ZINC000126662751 893769183 /nfs/dbraw/zinc/76/91/83/893769183.db2.gz SDFRDNUIGHQYIZ-HXUWFJFHSA-N 2 0 380.580 3.741 20 10 GHCDRP C[NH+]1CCN(C(C)(C)C[NH2+][C@H](CCc2ccccc2)c2ccccc2O)CC1 ZINC000815556995 893994979 /nfs/dbraw/zinc/99/49/79/893994979.db2.gz JYJNJEYNUHMNRS-JOCHJYFZSA-N 2 0 381.564 3.682 20 10 GHCDRP C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)cc2F)C[C@@H](C)O1 ZINC000817888623 895931136 /nfs/dbraw/zinc/93/11/36/895931136.db2.gz NRIMHNYKQJEORT-HDGQQAJQSA-N 2 0 389.559 3.840 20 10 GHCDRP CN(C)c1ccc([C@@H]([NH3+])CN[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000817939191 895968483 /nfs/dbraw/zinc/96/84/83/895968483.db2.gz AHTVCKFXLQGHPE-IGABQKFOSA-N 2 0 378.564 3.538 20 10 GHCDRP Oc1ccccc1[C@H](CCc1ccccc1)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000817983976 895994135 /nfs/dbraw/zinc/99/41/35/895994135.db2.gz SWXDIWHNMHBPCT-IWAAJCSBSA-N 2 0 393.575 3.872 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3ccc(OC)c(F)c3)cc2F)CC1 ZINC000155270902 898549714 /nfs/dbraw/zinc/54/97/14/898549714.db2.gz GCBNUNFXPQXZCQ-INIZCTEOSA-N 2 0 389.490 3.966 20 10 GHCDRP C[C@@H]([NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)c1ccc(N2CCOCC2)cc1 ZINC000155284661 898561486 /nfs/dbraw/zinc/56/14/86/898561486.db2.gz XZVYSQMZIUIARM-UXHICEINSA-N 2 0 397.563 3.875 20 10 GHCDRP c1c2cccnc2oc1C[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000824037301 899355452 /nfs/dbraw/zinc/35/54/52/899355452.db2.gz IUDPEEKTWXKGDT-UHFFFAOYSA-N 2 0 376.504 3.650 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3cccc(OC)c3O)cc2F)CC1 ZINC000846147777 902752659 /nfs/dbraw/zinc/75/26/59/902752659.db2.gz WBWVCFILKKZHHD-MRXNPFEDSA-N 2 0 387.499 3.533 20 10 GHCDRP C[C@H]1C[C@@H](NC2CC[NH+](Cc3ccccc3O)CC2)C[N@@H+]1Cc1ccccc1 ZINC001171733101 904961511 /nfs/dbraw/zinc/96/15/11/904961511.db2.gz IIXOFNKPTUAZOX-WMZHIEFXSA-N 2 0 379.548 3.609 20 10 GHCDRP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001172863820 905918604 /nfs/dbraw/zinc/91/86/04/905918604.db2.gz QFCQSTJMZPDLQI-INIZCTEOSA-N 2 0 375.919 3.952 20 10 GHCDRP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccc(N2CCCCC2)cc1 ZINC000177827596 906223934 /nfs/dbraw/zinc/22/39/34/906223934.db2.gz AVNYYRWFSNHWLL-FQEVSTJZSA-N 2 0 393.579 3.675 20 10 GHCDRP C[C@H]([NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1)c1ccccc1O ZINC000183487989 907399370 /nfs/dbraw/zinc/39/93/70/907399370.db2.gz QRLJVZMEEUUOMY-SFHVURJKSA-N 2 0 384.520 3.733 20 10 GHCDRP C[N@@H+]1C[C@@H](C[NH2+]Cc2ccc(Br)cc2O)[C@H](c2ccccc2)C1 ZINC001182544586 911865187 /nfs/dbraw/zinc/86/51/87/911865187.db2.gz QWEQZGNVDMIDHX-AEFFLSMTSA-N 2 0 375.310 3.590 20 10 GHCDRP C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000751146484 928048985 /nfs/dbraw/zinc/04/89/85/928048985.db2.gz HMKMMVSXFRPWFY-REWPJTCUSA-N 2 0 379.548 3.666 20 10 GHCDRP CC[NH+]1CCC(NC(=O)C[N@H+](Cc2ccccc2O)[C@H](C)c2ccccc2)CC1 ZINC000757278370 929684869 /nfs/dbraw/zinc/68/48/69/929684869.db2.gz VCYZXEXLOQHPHM-LJQANCHMSA-N 2 0 395.547 3.556 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3CCCC[C@H]3CC[NH+]3CCCC3)cc2)CC1 ZINC001140304099 1021354829 /nfs/dbraw/zinc/35/48/29/1021354829.db2.gz HZOKCLUUXUYDEL-QHCPKHFHSA-N 3 0 384.612 3.669 20 10 GHCDRP CCCc1noc([C@@H]2CCC[N@H+](Cc3ccc(N4CC[NH+](CC)CC4)cc3)C2)n1 ZINC001140305507 1021359986 /nfs/dbraw/zinc/35/99/86/1021359986.db2.gz ACVZAIHAYNYRGE-HXUWFJFHSA-N 2 0 397.567 3.544 20 10 GHCDRP Oc1cccc2c1[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc3ccccc3)CC13CCOCC3)CC2 ZINC000834811026 1021506417 /nfs/dbraw/zinc/50/64/17/1021506417.db2.gz LWBVGBDHFHOJIN-YADHBBJMSA-N 2 0 392.543 3.898 20 10 GHCDRP CN(C)c1ccc(/C=C\C[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)cc1 ZINC000835033405 1021790580 /nfs/dbraw/zinc/79/05/80/1021790580.db2.gz SYECNRQWKXBTSV-ARJAWSKDSA-N 2 0 379.548 3.512 20 10 GHCDRP COc1cc(C[NH+]2CCC(c3nc4ccccc4o3)CC2)cc(C[NH+](C)C)c1O ZINC001139252824 1026102299 /nfs/dbraw/zinc/10/22/99/1026102299.db2.gz AKNXQPAHZTWILR-UHFFFAOYSA-N 2 0 395.503 3.983 20 10 GHCDRP Oc1ccc2cc(Br)ccc2c1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001222148977 1029978893 /nfs/dbraw/zinc/97/88/93/1029978893.db2.gz SWTKUHRWODZGLJ-IBGZPJMESA-N 2 0 375.310 3.883 20 10 GHCDRP Oc1ccc(F)cc1C[N@@H+]1[C@@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001222584787 1030213993 /nfs/dbraw/zinc/21/39/93/1030213993.db2.gz XCBANYJPMQZPLO-OAQYLSRUSA-N 2 0 384.495 3.835 20 10 GHCDRP C[NH+]1CCC(C)(C[NH+]2CCN(c3ccc(OCc4cccnc4)cc3)CC2)CC1 ZINC001208115177 1034741650 /nfs/dbraw/zinc/74/16/50/1034741650.db2.gz GHCSRUYUCRXLPJ-UHFFFAOYSA-N 2 0 394.563 3.515 20 10 GHCDRP C[C@@H](Cc1ccccc1Br)[NH2+]Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001246173337 1037223179 /nfs/dbraw/zinc/22/31/79/1037223179.db2.gz LNUFXOBPZCETSN-INIZCTEOSA-N 2 0 388.353 3.580 20 10 GHCDRP Oc1ccc(Br)cc1C[NH2+][C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246311157 1037290378 /nfs/dbraw/zinc/29/03/78/1037290378.db2.gz KNGXYZUQDYFNLD-QZTJIDSGSA-N 2 0 375.310 3.608 20 10 GHCDRP CC(C)[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccc(Cl)cc3O)C2)ccn1 ZINC001462456273 1070265411 /nfs/dbraw/zinc/26/54/11/1070265411.db2.gz ACYAHAANLUIVQF-HXUWFJFHSA-N 2 0 389.927 3.934 20 10 GHCDRP CCC[N@H+](Cc1ccc(N2CC[NH2+]CC2)cc1)[C@H](C)C(=O)Nc1ccccc1C ZINC001236089923 1041527625 /nfs/dbraw/zinc/52/76/25/1041527625.db2.gz ZHSWGXNVLANOTE-HXUWFJFHSA-N 2 0 394.563 3.644 20 10 GHCDRP Clc1ccccc1CN(Cc1ccc(N2CC[NH2+]CC2)cc1)C1CC[NH2+]CC1 ZINC001236449650 1041717873 /nfs/dbraw/zinc/71/78/73/1041717873.db2.gz NGXIUDCTSWBOIT-UHFFFAOYSA-N 2 0 398.982 3.504 20 10 GHCDRP COc1ccc(C[N@H+](Cc2ccc3c(c2)OCCN3C)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236544182 1041757256 /nfs/dbraw/zinc/75/72/56/1041757256.db2.gz FQIXXTGNAGRWKY-MEMLXQNLSA-N 2 0 395.547 3.796 20 10 GHCDRP COc1cc(C[N@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)c(O)cc1Br ZINC001236554777 1041760690 /nfs/dbraw/zinc/76/06/90/1041760690.db2.gz VIKMYRPWEMUNGP-SHTZXODSSA-N 2 0 385.346 3.891 20 10 GHCDRP COc1ccccc1C[N@H+](Cc1ccc2c(c1)OCCN2C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236710746 1041846874 /nfs/dbraw/zinc/84/68/74/1041846874.db2.gz UZYVYYVGGWHERY-MEMLXQNLSA-N 2 0 395.547 3.796 20 10 GHCDRP Oc1cc2ccccc2cc1C[N@H+]1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001236829231 1041920147 /nfs/dbraw/zinc/92/01/47/1041920147.db2.gz GXUKWDNFSYBMSQ-UHFFFAOYSA-N 2 0 390.531 3.786 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH+]3CCC4(CCC(C)(C)O4)CC3)c(F)c2)CC1 ZINC001236943597 1041966155 /nfs/dbraw/zinc/96/61/55/1041966155.db2.gz UJGJZEBKUKWDFH-UHFFFAOYSA-N 2 0 375.532 3.501 20 10 GHCDRP Clc1ccc2c(c1)[C@@H]1C[N@@H+](Cc3ccc(N4CC[NH2+]CC4)cc3)CC[C@H]1N2 ZINC001237251098 1042107812 /nfs/dbraw/zinc/10/78/12/1042107812.db2.gz VPCXVLACWQYDNX-RBBKRZOGSA-N 2 0 382.939 3.533 20 10 GHCDRP CN1CCN(c2ccc(C[NH2+]C[C@@H]3CCC4(CCCCC4)O3)cc2F)CC1 ZINC001321841709 1056415701 /nfs/dbraw/zinc/41/57/01/1056415701.db2.gz OLIKQSAIJXPZCQ-IBGZPJMESA-N 2 0 375.532 3.549 20 10 GHCDRP CN1CCN(c2ccc(C[NH2+]C[C@H]3CCC4(CCCCC4)O3)cc2F)CC1 ZINC001321841711 1056416146 /nfs/dbraw/zinc/41/61/46/1056416146.db2.gz OLIKQSAIJXPZCQ-LJQANCHMSA-N 2 0 375.532 3.549 20 10 GHCDRP COc1ccccc1C1([NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)CCC1 ZINC001339154252 1058983898 /nfs/dbraw/zinc/98/38/98/1058983898.db2.gz FELHHJYYAPBWFG-UHFFFAOYSA-N 2 0 383.511 3.755 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3nc4cc(Cl)ccc4s3)cc2)CC1 ZINC001473960528 1074218437 /nfs/dbraw/zinc/21/84/37/1074218437.db2.gz PRCPSNOPYIUCKM-UHFFFAOYSA-N 2 0 386.952 3.991 20 10 GHCDRP OC1(CC[NH2+]Cc2ccc3c(c2)CCCO3)CC[NH+](Cc2ccccc2)CC1 ZINC001474248208 1074309154 /nfs/dbraw/zinc/30/91/54/1074309154.db2.gz LMOVBJXUXRYEEX-UHFFFAOYSA-N 2 0 380.532 3.518 20 10 GHCDRP C[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(N2CCCCCC2)cc1 ZINC000765941303 856634086 /nfs/dbraw/zinc/63/40/86/856634086.db2.gz GMJJTQBRHVGKGS-RBBKRZOGSA-N 2 0 384.612 3.886 20 10 GHCDRP CN(C)c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c(C(F)(F)F)c1 ZINC000793010661 881873578 /nfs/dbraw/zinc/87/35/78/881873578.db2.gz PPMCYQRIYHIDLE-VQTJNVASSA-N 2 0 399.501 3.629 20 10 GHCDRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H](C)c3cc(OC)ccc3O)CC2)cc1 ZINC000185230212 865803378 /nfs/dbraw/zinc/80/33/78/865803378.db2.gz JKFXDFHYOUDCHV-KRWDZBQOSA-N 2 0 384.520 3.972 20 10 GHCDRP COCCC[C@H](Cc1ccccc1)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000793234268 882028530 /nfs/dbraw/zinc/02/85/30/882028530.db2.gz ZANKMHSGWICABL-HSZRJFAPSA-N 2 0 381.564 3.566 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@H]3C[C@H](O)c3cccs3)cc2)CC1 ZINC000775736870 873289447 /nfs/dbraw/zinc/28/94/47/873289447.db2.gz YOPOLBCTLHHCLY-SFTDATJTSA-N 2 0 385.577 3.588 20 10 GHCDRP C[NH+](C)CCCOc1ccc(C[NH2+]Cc2c(O)cccc2Br)cc1 ZINC000858123580 882862850 /nfs/dbraw/zinc/86/28/50/882862850.db2.gz FAABFQDXGWVEJI-UHFFFAOYSA-N 2 0 393.325 3.775 20 10 GHCDRP COc1cc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c(O)c(C(C)(C)C)c1 ZINC000850194288 876721642 /nfs/dbraw/zinc/72/16/42/876721642.db2.gz DGEYGWASCQZUPC-RTWAWAEBSA-N 2 0 390.568 3.556 20 10 GHCDRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850566389 877033063 /nfs/dbraw/zinc/03/30/63/877033063.db2.gz NAXMBOBLOKCZIK-NBGIEHNGSA-N 2 0 393.575 3.648 20 10 GHCDRP Oc1ccc2ccc(O)c(C[N@@H+]3CC[C@H]4C[C@H]4C3)c2c1C[NH+]1CC[C@@H]2C[C@@H]2C1 ZINC000853576408 879133321 /nfs/dbraw/zinc/13/33/21/879133321.db2.gz DKNDBJOTGRINPF-QGFMHUBQSA-N 2 0 378.516 3.935 20 10 GHCDRP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000762648123 886615734 /nfs/dbraw/zinc/61/57/34/886615734.db2.gz HQBDDKJEQMYAGV-RBUKOAKNSA-N 2 0 377.548 3.968 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3ccc(Cl)nc3)cc2F)CC1 ZINC000179123139 886706361 /nfs/dbraw/zinc/70/63/61/886706361.db2.gz JSFIZZGSZYTXQR-OAHLLOKOSA-N 2 0 376.907 3.867 20 10 GHCDRP Cc1cc(Cl)cc([C@@H](C)[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)c1O ZINC000808699285 886721945 /nfs/dbraw/zinc/72/19/45/886721945.db2.gz CYORAAAXIHOWHB-QGZVFWFLSA-N 2 0 379.976 3.955 20 10 GHCDRP [NH3+]C[C@H]1CN(Cc2ccc(OCc3ccccc3)cc2O)CC[C@@H]1C(F)(F)F ZINC000863645507 887259898 /nfs/dbraw/zinc/25/98/98/887259898.db2.gz IZPCJIKDEUWQOK-HKUYNNGSSA-N 2 0 394.437 3.930 20 10 GHCDRP FC(F)c1ccc(C[NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)cn1 ZINC000865516623 888401273 /nfs/dbraw/zinc/40/12/73/888401273.db2.gz AJMMGSBYQXMGGT-UHFFFAOYSA-N 2 0 386.490 3.841 20 10 GHCDRP CSC1(C[NH2+]Cc2ccc(OCc3ccccc3)cc2O)CC[NH+](C)CC1 ZINC000811513993 889708522 /nfs/dbraw/zinc/70/85/22/889708522.db2.gz YXRSYDUDKGEQAO-UHFFFAOYSA-N 2 0 386.561 3.888 20 10 GHCDRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000817900801 895954480 /nfs/dbraw/zinc/95/44/80/895954480.db2.gz SAIQPLMDNYOWHG-YRISNDGFSA-N 2 0 389.490 3.805 20 10 GHCDRP Cc1cc(Cl)cc([C@H](C)[NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)c1O ZINC000817984748 895992640 /nfs/dbraw/zinc/99/26/40/895992640.db2.gz YRYNAJQEFRCALE-KRWDZBQOSA-N 2 0 387.955 3.998 20 10 GHCDRP COc1ccc(N2CC[C@H](C[NH2+][C@@H](C)c3cccc(OCC[NH+](C)C)c3)C2)cc1 ZINC000818345310 896122666 /nfs/dbraw/zinc/12/26/66/896122666.db2.gz UATCHXXSYKQQBD-VQTJNVASSA-N 2 0 397.563 3.813 20 10 GHCDRP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000883289271 897454877 /nfs/dbraw/zinc/45/48/77/897454877.db2.gz JNVCVFIAKUKQLR-KRWDZBQOSA-N 2 0 392.547 3.519 20 10 GHCDRP COc1cc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)cc2ccccc21 ZINC000824790643 899831470 /nfs/dbraw/zinc/83/14/70/899831470.db2.gz XYTZESMPIGRMOB-UHFFFAOYSA-N 2 0 375.516 3.890 20 10 GHCDRP C[C@H](Cc1c(F)cccc1Cl)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001172840648 905895068 /nfs/dbraw/zinc/89/50/68/905895068.db2.gz FGCOTYIVYVNFSI-MRXNPFEDSA-N 2 0 375.919 3.952 20 10 GHCDRP C[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccc2ccccc2c1O ZINC000185322236 907751786 /nfs/dbraw/zinc/75/17/86/907751786.db2.gz JBBOFXFMXBQVEL-KRWDZBQOSA-N 2 0 391.515 3.688 20 10 GHCDRP CC(C)[NH+]1CCN(C2CC[NH+](Cc3ccc(N4CCCCC4)cc3)CC2)CC1 ZINC000271240388 910829844 /nfs/dbraw/zinc/82/98/44/910829844.db2.gz YGIFFTAQVSXGFS-UHFFFAOYSA-N 2 0 384.612 3.667 20 10 GHCDRP CCOc1ccc(C[NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)cc1 ZINC000092855785 911867074 /nfs/dbraw/zinc/86/70/74/911867074.db2.gz SNDUWTOHNJXDFF-UHFFFAOYSA-N 2 0 379.548 3.907 20 10 GHCDRP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1ccc(C(F)(F)F)cn1 ZINC000903086937 922760869 /nfs/dbraw/zinc/76/08/69/922760869.db2.gz CIPJXXYUBPPODQ-OAHLLOKOSA-N 2 0 378.442 3.703 20 10 GHCDRP COCC[N@H+](C)CCOc1cccc(C[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3C)c1 ZINC001116565086 933637003 /nfs/dbraw/zinc/63/70/03/933637003.db2.gz HKBPXRHNTWSSLY-NQIIRXRSSA-N 2 0 398.547 3.996 20 10 GHCDRP Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC001116585195 933648001 /nfs/dbraw/zinc/64/80/01/933648001.db2.gz SOCVDOYRGWHTEP-GHTZIAJQSA-N 2 0 379.548 3.786 20 10 GHCDRP Oc1cc(Cl)ccc1C[NH+]1CCC2(CC1)C[N@H+](Cc1ccccc1)CCO2 ZINC001140465095 1021758791 /nfs/dbraw/zinc/75/87/91/1021758791.db2.gz IACPTZPZABHJOZ-UHFFFAOYSA-N 2 0 386.923 3.913 20 10 GHCDRP CCC1(C[NH2+]Cc2cc3c(cc2O)OCO3)CC[NH+](Cc2ccccc2)CC1 ZINC000754072262 1022461978 /nfs/dbraw/zinc/46/19/78/1022461978.db2.gz YXBPOEBWLMQQEX-UHFFFAOYSA-N 2 0 382.504 3.903 20 10 GHCDRP Cc1ccc(C[NH+]2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c(O)c1 ZINC001140950386 1022972130 /nfs/dbraw/zinc/97/21/30/1022972130.db2.gz RMIZYMMQYDAGBB-QFIPXVFZSA-N 2 0 380.532 3.956 20 10 GHCDRP CC(C)c1ccc(O)c(C[NH+]2CCN(c3ccccc3OCC[NH+](C)C)CC2)c1 ZINC001204816843 1033103751 /nfs/dbraw/zinc/10/37/51/1033103751.db2.gz OGYLFQSKAOZQOM-UHFFFAOYSA-N 2 0 397.563 3.778 20 10 GHCDRP C[C@H]1C[C@@H]([NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)c2c1c(F)ccc2O ZINC000756606898 1023735332 /nfs/dbraw/zinc/73/53/32/1023735332.db2.gz FJUJFNMQPQKVPD-FUHWJXTLSA-N 2 0 375.532 3.620 20 10 GHCDRP COC(=O)c1ccc([C@H]2CCC[N@@H+]2Cc2cc(C[NH+](C)C)c(O)c(OC)c2)cc1 ZINC001139259793 1026110075 /nfs/dbraw/zinc/11/00/75/1026110075.db2.gz BMSISVVDORJPDC-HXUWFJFHSA-N 2 0 398.503 3.586 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCO[C@@](C)(c4ccc(Cl)cc4)C3)cc2)CC1 ZINC001139412105 1026283264 /nfs/dbraw/zinc/28/32/64/1026283264.db2.gz FCRPWSJUQJBHTJ-HSZRJFAPSA-N 2 0 399.966 3.839 20 10 GHCDRP CC(C)(C)c1cc(C[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)c(O)c(C(C)(C)C)c1 ZINC000841099678 1028135017 /nfs/dbraw/zinc/13/50/17/1028135017.db2.gz NJWBJMGUTUKCGP-IBGZPJMESA-N 2 0 399.583 3.875 20 10 GHCDRP CCN(Cc1ccccc1)c1ccc(C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000843124770 1029816751 /nfs/dbraw/zinc/81/67/51/1029816751.db2.gz GLPQHPOWZGZNRX-QHCPKHFHSA-N 2 0 393.575 3.900 20 10 GHCDRP Cc1c(O)ccc(C[N@@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)c1O ZINC001222582776 1030210169 /nfs/dbraw/zinc/21/01/69/1030210169.db2.gz GKEIGENOMFNOAT-NRFANRHFSA-N 2 0 396.531 3.710 20 10 GHCDRP Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2[NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC001252950412 1039294491 /nfs/dbraw/zinc/29/44/91/1039294491.db2.gz BDBHJHVCMHRGHM-ZCYQVOJMSA-N 2 0 394.559 3.859 20 10 GHCDRP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@H]2C[NH+](Cc3cc(O)c(O)cc3O)C[C@H]21 ZINC001233484303 1039382114 /nfs/dbraw/zinc/38/21/14/1039382114.db2.gz GBWSZHVXRBUJCN-BMGDILEWSA-N 2 0 388.533 3.597 20 10 GHCDRP CCN(CC)c1ccc(C[N@@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)c(O)c1 ZINC001235366637 1040858621 /nfs/dbraw/zinc/85/86/21/1040858621.db2.gz DWWYPLDDKMUAQQ-DHLKQENFSA-N 2 0 393.575 3.992 20 10 GHCDRP c1ccc([C@@H]2CO[C@]3(C2)CCC[N@@H+](Cc2ccc(N4CC[NH2+]CC4)cc2)C3)cc1 ZINC001235532820 1040978095 /nfs/dbraw/zinc/97/80/95/1040978095.db2.gz OVTQSQGWWKIURR-ZCYQVOJMSA-N 2 0 391.559 3.635 20 10 GHCDRP C[N@@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3ccc(C(C)(C)C)cc3O)C2)C1 ZINC001235682846 1041150748 /nfs/dbraw/zinc/15/07/48/1041150748.db2.gz QRACDSDRQNWECV-ZJSXRUAMSA-N 2 0 386.580 3.870 20 10 GHCDRP Fc1ccc(C[N@@H+](Cc2ccc(N3CCOCC3)cc2)CC2CC[NH2+]CC2)cc1 ZINC001236380703 1041690618 /nfs/dbraw/zinc/69/06/18/1041690618.db2.gz JDHDXKCEQKLSIA-UHFFFAOYSA-N 2 0 397.538 3.664 20 10 GHCDRP CC(C)(C)C[N@H+](Cc1ccc(N2CCOCC2)cc1F)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236766083 1041880040 /nfs/dbraw/zinc/88/00/40/1041880040.db2.gz DKFDVNAPXJXRJQ-WGSAOQKQSA-N 2 0 377.548 3.780 20 10 GHCDRP CN1CCN(c2ccc(C[N@@H+]3CCC34CCCC4)cc2Br)CC1 ZINC001237090186 1042031600 /nfs/dbraw/zinc/03/16/00/1042031600.db2.gz OCQIXPSCOXAVML-UHFFFAOYSA-N 2 0 378.358 3.719 20 10 GHCDRP CCN(CC)[C@@H](C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1ccsc1 ZINC001308199518 1049910508 /nfs/dbraw/zinc/91/05/08/1049910508.db2.gz SOOSPWSAZQCJEX-QFIPXVFZSA-N 2 0 386.609 3.673 20 10 GHCDRP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC001308344207 1049954099 /nfs/dbraw/zinc/95/40/99/1049954099.db2.gz BVBIUBMQIJJPIY-RUZDIDTESA-N 2 0 393.575 3.923 20 10 GHCDRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H](C)c3ccc(N(C)C)cc3)cc2)CC1 ZINC000160311477 838169943 /nfs/dbraw/zinc/16/99/43/838169943.db2.gz UGQALLQGMDOSHE-HXUWFJFHSA-N 2 0 380.580 3.741 20 10 GHCDRP CC[NH+](CC)Cc1cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)ccc1OC ZINC001167436997 840354554 /nfs/dbraw/zinc/35/45/54/840354554.db2.gz KPYARTUSQDFAIF-UHFFFAOYSA-N 2 0 396.579 3.901 20 10 GHCDRP COc1ccc(N2CCC([NH2+][C@@H](C)c3cccc(OCC[NH+](C)C)c3)CC2)cc1 ZINC000157386414 841919625 /nfs/dbraw/zinc/91/96/25/841919625.db2.gz RYRIECRFGQTLLA-IBGZPJMESA-N 2 0 397.563 3.955 20 10 GHCDRP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccc(N(C)C)cc3C)C2)ccn1 ZINC000856550468 881367027 /nfs/dbraw/zinc/36/70/27/881367027.db2.gz ZHNOQZVWCBBFEC-QHCPKHFHSA-N 2 0 382.552 3.561 20 10 GHCDRP CCOCc1cc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)ccc1OC ZINC000904471444 860464870 /nfs/dbraw/zinc/46/48/70/860464870.db2.gz BCKUSUYOBVBNCM-REWPJTCUSA-N 2 0 382.504 3.577 20 10 GHCDRP COC(=O)c1cc2ccccc2c(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1O ZINC000738273197 865512104 /nfs/dbraw/zinc/51/21/04/865512104.db2.gz XUMXYRJARAVBIT-SFHVURJKSA-N 2 0 382.504 3.782 20 10 GHCDRP C[N@H+](Cc1ccc(OC(F)F)cc1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775643031 872221618 /nfs/dbraw/zinc/22/16/18/872221618.db2.gz ROGOLAWBJRYFGE-UHFFFAOYSA-N 2 0 375.463 3.672 20 10 GHCDRP C[NH+](C)CCOc1ccc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)cc1 ZINC000768162612 873124194 /nfs/dbraw/zinc/12/41/94/873124194.db2.gz RZCACEPSAXWDLK-QFIPXVFZSA-N 2 0 384.520 3.514 20 10 GHCDRP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1cccc(CO)c1 ZINC000776310417 876240794 /nfs/dbraw/zinc/24/07/94/876240794.db2.gz SJBSYJDFAKSZBL-LJQANCHMSA-N 2 0 379.548 3.562 20 10 GHCDRP Oc1cc2c(cc1C[NH2+]C[C@@H]1C[N@H+](Cc3ccccc3)CC13CCC3)OCO2 ZINC000850401996 876883200 /nfs/dbraw/zinc/88/32/00/876883200.db2.gz CNQCPIHFHUBXLP-LJQANCHMSA-N 2 0 380.488 3.513 20 10 GHCDRP COc1ccc(N2CC[C@@H]([NH2+][C@@H](C)c3cccc(OCC[NH+](C)C)c3)C2)cc1 ZINC000850487900 876963590 /nfs/dbraw/zinc/96/35/90/876963590.db2.gz JZKIAARJYOEJMC-AZUAARDMSA-N 2 0 383.536 3.565 20 10 GHCDRP c1cc(N2CC[NH+](CC3CC3)CC2)ccc1C[NH2+]C1CCC2(CCCO2)CC1 ZINC000788250904 877955429 /nfs/dbraw/zinc/95/54/29/877955429.db2.gz DHVQUGXRZPRVGA-UHFFFAOYSA-N 2 0 383.580 3.800 20 10 GHCDRP Cc1cc(Cl)cc([C@H](C)[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)c1O ZINC000808687165 886643699 /nfs/dbraw/zinc/64/36/99/886643699.db2.gz KGHLDRUSMLJVIJ-KRWDZBQOSA-N 2 0 388.943 3.612 20 10 GHCDRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809740092 887775484 /nfs/dbraw/zinc/77/54/84/887775484.db2.gz ZJGMPPWASALVLC-UHFFFAOYSA-N 3 0 380.580 3.522 20 10 GHCDRP C[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000124343768 891410483 /nfs/dbraw/zinc/41/04/83/891410483.db2.gz PXDCAAQCROZOHC-IBGZPJMESA-N 2 0 390.591 3.740 20 10 GHCDRP c1cnc2c(c1)CC[C@@H]([NH2+]Cc1ccc(N3CC[NH+](CC4CC4)CC3)cc1)CC2 ZINC000817581104 895752233 /nfs/dbraw/zinc/75/22/33/895752233.db2.gz OVQOESRWOMZOCP-HSZRJFAPSA-N 2 0 390.575 3.651 20 10 GHCDRP CN1CC[NH+](CC2CC[NH+](Cc3cc(-c4ccccc4)ccc3O)CC2)CC1 ZINC000289504704 914214575 /nfs/dbraw/zinc/21/45/75/914214575.db2.gz UBXIIUPXEZRYDO-UHFFFAOYSA-N 2 0 379.548 3.519 20 10 GHCDRP Fc1c(C[NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)ccnc1Cl ZINC000824037406 899355847 /nfs/dbraw/zinc/35/58/47/899355847.db2.gz MQCIYJGCKUEBOR-UHFFFAOYSA-N 2 0 388.918 3.696 20 10 GHCDRP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@H]2C[NH+](Cc3c(O)cc(O)cc3O)C[C@@H]21 ZINC001144509957 902310652 /nfs/dbraw/zinc/31/06/52/902310652.db2.gz OJBIIPOFOQVEOW-UCLAIMLFSA-N 2 0 388.533 3.597 20 10 GHCDRP COCCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(N3CCCCC3)c(F)c2)CC1 ZINC000159064925 902516383 /nfs/dbraw/zinc/51/63/83/902516383.db2.gz QHKJGOBLMQMHNF-SFHVURJKSA-N 2 0 377.548 3.968 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@H]4O[C@H](c5ccccc5)C[C@@H]43)cc2)CC1 ZINC000846118755 902696679 /nfs/dbraw/zinc/69/66/79/902696679.db2.gz BDHBDPFJFDTFQT-SDHOMARFSA-N 2 0 391.559 3.933 20 10 GHCDRP COc1cccc([C@H](C)[NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)c1O ZINC000846141085 902747268 /nfs/dbraw/zinc/74/72/68/902747268.db2.gz KSGAFQVRRMNIJX-FQEVSTJZSA-N 2 0 397.563 3.649 20 10 GHCDRP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000773067148 904407938 /nfs/dbraw/zinc/40/79/38/904407938.db2.gz FFBUHAZRFHHZMI-RTFZILSDSA-N 2 0 389.559 3.844 20 10 GHCDRP CO[C@@H](c1ccccc1Cl)[C@@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000779148316 904661652 /nfs/dbraw/zinc/66/16/52/904661652.db2.gz CGCAUYDELGNTOY-VGOFRKELSA-N 2 0 387.955 3.958 20 10 GHCDRP C[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000179468114 906507387 /nfs/dbraw/zinc/50/73/87/906507387.db2.gz QAJQJRZJECWLLQ-SFHVURJKSA-N 2 0 398.526 3.625 20 10 GHCDRP COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)c1 ZINC000185360630 907756305 /nfs/dbraw/zinc/75/63/05/907756305.db2.gz JAXHTXZVMFOLCX-JKSUJKDBSA-N 2 0 387.499 3.704 20 10 GHCDRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC001179339003 909497513 /nfs/dbraw/zinc/49/75/13/909497513.db2.gz QEBAQTRJNARJAC-NFBKMPQASA-N 2 0 393.575 3.505 20 10 GHCDRP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001179453686 909535921 /nfs/dbraw/zinc/53/59/21/909535921.db2.gz NGHSLOWWOPSVRE-NBVRZTHBSA-N 2 0 380.492 3.540 20 10 GHCDRP COc1cc(O)c(C[NH2+]Cc2ccccc2C[NH+]2CCC(C)CC2)cc1OC ZINC001181457953 910774428 /nfs/dbraw/zinc/77/44/28/910774428.db2.gz RTBQAMDNTHEGRW-UHFFFAOYSA-N 2 0 384.520 3.931 20 10 GHCDRP C[NH+](C)CCOC1CC[NH+](Cc2ccc(OCc3ccccc3)cc2O)CC1 ZINC000753543362 929400573 /nfs/dbraw/zinc/40/05/73/929400573.db2.gz OUDSYPBXPGBTDX-UHFFFAOYSA-N 2 0 384.520 3.514 20 10 GHCDRP Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC001116565508 933637152 /nfs/dbraw/zinc/63/71/52/933637152.db2.gz RZIUWSZTHKDUPD-LAUBAEHRSA-N 2 0 380.532 3.995 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@H]3CC(=O)OC(C)(C)C)cc2)CC1 ZINC001140306202 1021362254 /nfs/dbraw/zinc/36/22/54/1021362254.db2.gz OZAMCWXXEMSAQS-OAQYLSRUSA-N 2 0 387.568 3.525 20 10 GHCDRP c1c(C[NH+]2CCC(COCC[NH+]3CCCC3)CC2)cc2c3c1CCCN3CCC2 ZINC001141075087 1023434863 /nfs/dbraw/zinc/43/48/63/1023434863.db2.gz YHKWPRLOGBQHID-UHFFFAOYSA-N 2 0 397.607 3.710 20 10 GHCDRP Oc1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC001204870028 1033133269 /nfs/dbraw/zinc/13/32/69/1033133269.db2.gz MRNUIXIGPFNWMK-UHFFFAOYSA-N 2 0 383.923 3.745 20 10 GHCDRP Oc1c(C[NH+]2CCC3(CCC[N@@H+]3CC3CC3)CC2)cc2c3c1CCCN3CCC2 ZINC001138340974 1024702867 /nfs/dbraw/zinc/70/28/67/1024702867.db2.gz SEEYYUWFXZYHIE-UHFFFAOYSA-N 2 0 395.591 3.931 20 10 GHCDRP COC(=O)c1ccc([C@@H]2CCC[N@@H+]2Cc2cc(C[NH+](C)C)c(O)c(OC)c2)cc1 ZINC001139259791 1026110383 /nfs/dbraw/zinc/11/03/83/1026110383.db2.gz BMSISVVDORJPDC-FQEVSTJZSA-N 2 0 398.503 3.586 20 10 GHCDRP COc1ccc(N2CC[NH+](CCCNc3ccc(C4([NH3+])CCC4)cc3)CC2)cc1 ZINC001164334374 1026489598 /nfs/dbraw/zinc/48/95/98/1026489598.db2.gz QFNCWPBJURRFGK-UHFFFAOYSA-N 2 0 394.563 3.657 20 10 GHCDRP Cc1cc(C)c(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccccc2)CCO3)c(O)c1 ZINC001231843841 1034937942 /nfs/dbraw/zinc/93/79/42/1034937942.db2.gz BTNMKZIZGKRADZ-UHFFFAOYSA-N 2 0 380.532 3.876 20 10 GHCDRP CC1(C)C[C@H]([NH2+]Cc2ccc(N3CC[NH2+]CC3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001246173885 1037222820 /nfs/dbraw/zinc/22/28/20/1037222820.db2.gz NHSNHXLTPSBEJS-HSZRJFAPSA-N 3 0 392.591 3.629 20 10 GHCDRP Cc1ccc2c(c1)C1(CC2)CC[NH+](Cc2cc3c(cc2O)OCC[NH2+]C3)CC1 ZINC001235606934 1041022942 /nfs/dbraw/zinc/02/29/42/1041022942.db2.gz JNRLMPKRSCAJLQ-UHFFFAOYSA-N 2 0 378.516 3.663 20 10 GHCDRP Oc1cc2c(cc1C[NH+]1CCC(Oc3cccc(Cl)c3)CC1)C[NH2+]CCO2 ZINC001235689735 1041161742 /nfs/dbraw/zinc/16/17/42/1041161742.db2.gz BZSCYEYLDRAQRQ-UHFFFAOYSA-N 2 0 388.895 3.571 20 10 GHCDRP COc1cccc(C[C@H]2CCC[N@H+](Cc3ccc(N4CC[NH2+]CC4)cc3)C2)c1 ZINC001236305504 1041666984 /nfs/dbraw/zinc/66/69/84/1041666984.db2.gz XZWODBICJHPZFA-JOCHJYFZSA-N 2 0 379.548 3.560 20 10 GHCDRP Oc1cc(C[N@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)c(O)cc1Br ZINC001236374216 1041685930 /nfs/dbraw/zinc/68/59/30/1041685930.db2.gz BNWPBTLBBNMSPI-ZDUSSCGKSA-N 2 0 383.330 3.605 20 10 GHCDRP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccc(N3CCOCC3)cc2Cl)C2CCC2)CC1 ZINC001236576278 1041766846 /nfs/dbraw/zinc/76/68/46/1041766846.db2.gz GSPQLIPCHCBDJX-UAPYVXQJSA-N 2 0 377.960 3.801 20 10 GHCDRP Cc1cccc(C[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236729412 1041861116 /nfs/dbraw/zinc/86/11/16/1041861116.db2.gz RZJDVJLWHKRYRC-ALOJWSFFSA-N 3 0 392.591 3.677 20 10 GHCDRP CC[NH+]1CCC(CC2CC[NH+](Cc3cc(OC)cc(OC)c3O)CC2)CC1 ZINC001237681760 1042323096 /nfs/dbraw/zinc/32/30/96/1042323096.db2.gz RUNPOLVGBORQIG-UHFFFAOYSA-N 2 0 376.541 3.743 20 10 GHCDRP CCOC(=O)CCC[C@@H](C)[NH2+][C@H](c1ccccc1O)[C@H](N)c1ccccc1O ZINC001258111292 1044399724 /nfs/dbraw/zinc/39/97/24/1044399724.db2.gz HODJPOMWGYUAOC-UJUVCNOISA-N 2 0 386.492 3.550 20 10 GHCDRP CC[NH+]1CCN(c2cccc(NC(=O)c3ccc(NC4=[NH+]CCC4)cc3)c2)CC1 ZINC001296723820 1045362656 /nfs/dbraw/zinc/36/26/56/1045362656.db2.gz BWFCSELGYABAFL-UHFFFAOYSA-N 2 0 391.519 3.685 20 10 GHCDRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2ccc(N3CCCC3)cc2)CC1 ZINC001308202328 1049911357 /nfs/dbraw/zinc/91/13/57/1049911357.db2.gz BUNFPAPEEOWLEV-UHFFFAOYSA-N 2 0 392.591 3.714 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H]3CCCCN3Cc3ccccc3)cc2)CC1 ZINC001308492564 1049989141 /nfs/dbraw/zinc/98/91/41/1049989141.db2.gz MJDUHYZMQKYDOV-VWLOTQADSA-N 2 0 392.591 3.583 20 10 GHCDRP COc1cc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)cc(C(F)(F)F)c1 ZINC001308503194 1049992316 /nfs/dbraw/zinc/99/23/16/1049992316.db2.gz HXURGUBMVMVMJF-UHFFFAOYSA-N 2 0 393.453 3.756 20 10 GHCDRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2ccc(N3CCCCCC3)cc2)CC1 ZINC000121261900 837115668 /nfs/dbraw/zinc/11/56/68/837115668.db2.gz XSUSRJUIZGZPFY-FCHUYYIVSA-N 2 0 386.628 3.991 20 10 GHCDRP CCN(Cc1ccccc1)c1ccc(C[NH2+]CCCN2CCC[N@H+](C)CC2)cc1 ZINC000236965169 845066460 /nfs/dbraw/zinc/06/64/60/845066460.db2.gz WVXJRXUXOGUNQN-UHFFFAOYSA-N 2 0 394.607 3.830 20 10 GHCDRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2ccc(N(C)C)cc2)CC1 ZINC000236984763 845387316 /nfs/dbraw/zinc/38/73/16/845387316.db2.gz QDJBLUVSONHAEM-SFHVURJKSA-N 2 0 384.543 3.884 20 10 GHCDRP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccc(N(C)C)cc3C)C2)ccn1 ZINC000856550467 881364214 /nfs/dbraw/zinc/36/42/14/881364214.db2.gz ZHNOQZVWCBBFEC-HSZRJFAPSA-N 2 0 382.552 3.561 20 10 GHCDRP CCN(C)c1ccc([C@@H](C)[NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)cc1 ZINC000765682590 860404069 /nfs/dbraw/zinc/40/40/69/860404069.db2.gz JUVDKTLKNHRVBD-YKSBVNFPSA-N 2 0 380.580 3.782 20 10 GHCDRP Cc1cc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)ccc1N(C)C ZINC000856604807 881580317 /nfs/dbraw/zinc/58/03/17/881580317.db2.gz RKMCDPKDUJGBJZ-HSZRJFAPSA-N 2 0 396.579 3.950 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc4c(c3)CC(C)(C)O4)cc2F)CC1 ZINC000730108213 860866648 /nfs/dbraw/zinc/86/66/48/860866648.db2.gz HKKAYWLBJRJLLA-UHFFFAOYSA-N 2 0 397.538 3.971 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3cnc4ccccc4c3)cc2F)CC1 ZINC000730108981 860875788 /nfs/dbraw/zinc/87/57/88/860875788.db2.gz XUDOWQFYWCOYDV-UHFFFAOYSA-N 2 0 378.495 3.806 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[N@H+](Cc3cccc([N+](=O)[O-])c3)C3CC3)cc2)CC1 ZINC000775650425 872320767 /nfs/dbraw/zinc/32/07/67/872320767.db2.gz CIEZGNTXDXTTLZ-UHFFFAOYSA-N 2 0 380.492 3.511 20 10 GHCDRP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CCN(Cc2ccccc2)CC1 ZINC000775680877 872812813 /nfs/dbraw/zinc/81/28/13/872812813.db2.gz JYNPHMQHTTXSKK-UHFFFAOYSA-N 2 0 392.591 3.535 20 10 GHCDRP Cc1ccccc1[C@@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@H](C)CO1 ZINC000775713633 873057273 /nfs/dbraw/zinc/05/72/73/873057273.db2.gz KRTYQFYCVYGKPA-YKSBVNFPSA-N 2 0 379.548 3.709 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCCCC[C@H]3C[C@H](O)c3ccco3)cc2)CC1 ZINC000775738165 873321334 /nfs/dbraw/zinc/32/13/34/873321334.db2.gz USNQXUSQEUMLJG-GOTSBHOMSA-N 2 0 397.563 3.900 20 10 GHCDRP COc1ccc(C[NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)cc1C ZINC000768669099 873492588 /nfs/dbraw/zinc/49/25/88/873492588.db2.gz CMBQXBZEPRIRDG-UHFFFAOYSA-N 2 0 379.548 3.825 20 10 GHCDRP CC1(C)[C@H]([NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)[C@H]2CCCO[C@H]21 ZINC000776170178 875688306 /nfs/dbraw/zinc/68/83/06/875688306.db2.gz IQEVFPZPBRFCBR-DNVJHFABSA-N 2 0 383.580 3.512 20 10 GHCDRP COc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1Cn1cccn1 ZINC001201946553 875949285 /nfs/dbraw/zinc/94/92/85/875949285.db2.gz GYEQHTRNSYDTRT-ICSRJNTNSA-N 2 0 382.552 3.683 20 10 GHCDRP COc1cc(O)c(C[NH2+]CC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cc1OC ZINC000776251992 876030707 /nfs/dbraw/zinc/03/07/07/876030707.db2.gz HVRIGPABYBQRNA-PKOBYXMFSA-N 2 0 384.520 3.800 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3cc(Cl)cc(C)c3O)cn2)CC1 ZINC000808676328 886673596 /nfs/dbraw/zinc/67/35/96/886673596.db2.gz ARELVUBNBMEACY-MRXNPFEDSA-N 2 0 388.943 3.742 20 10 GHCDRP Cc1cccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c1O ZINC000816643436 894987266 /nfs/dbraw/zinc/98/72/66/894987266.db2.gz FRPSTMXOUPTEKF-QFIPXVFZSA-N 2 0 380.532 3.719 20 10 GHCDRP FC(F)(F)c1cc(N2CCOCC2)ccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000817888213 895931110 /nfs/dbraw/zinc/93/11/10/895931110.db2.gz JVSLNOVQHXIUTM-YZGWKJHDSA-N 2 0 397.485 3.552 20 10 GHCDRP COc1ccc(N2CC[C@H](C[NH2+][C@H](C)c3cccc(OCC[NH+](C)C)c3)C2)cc1 ZINC000818345311 896122892 /nfs/dbraw/zinc/12/28/92/896122892.db2.gz UATCHXXSYKQQBD-WOJBJXKFSA-N 2 0 397.563 3.813 20 10 GHCDRP CN(C)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c(C(F)(F)F)c1 ZINC000844909389 901568408 /nfs/dbraw/zinc/56/84/08/901568408.db2.gz BCWQBWLRFYROOQ-ATZDWAIDSA-N 2 0 385.474 3.632 20 10 GHCDRP COC[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000773147847 904486408 /nfs/dbraw/zinc/48/64/08/904486408.db2.gz VZYOLFQLBXCHQN-XMMPIXPASA-N 2 0 393.575 3.566 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH2+]CCCc3c[nH]c4ccc(F)cc34)cc2)CC1 ZINC000800302064 919878765 /nfs/dbraw/zinc/87/87/65/919878765.db2.gz ZYTRCYFJJINTLT-UHFFFAOYSA-N 2 0 380.511 3.781 20 10 GHCDRP Cc1cc(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c(O)c(C(C)(C)C)c1 ZINC000758253320 929989522 /nfs/dbraw/zinc/98/95/22/929989522.db2.gz MVOJVNREXRBMQF-UHFFFAOYSA-N 2 0 387.612 3.848 20 10 GHCDRP C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)c1cccc(C[NH+](C)C)c1 ZINC000924761061 931527594 /nfs/dbraw/zinc/52/75/94/931527594.db2.gz SZUSDPUQLBZDDJ-QGZVFWFLSA-N 2 0 385.527 3.699 20 10 GHCDRP C[C@@]1(C[NH2+]Cc2ccc(N3CCOCC3)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000798497868 932672447 /nfs/dbraw/zinc/67/24/47/932672447.db2.gz GNEPKHDTLCINRS-DEOSSOPVSA-N 2 0 379.548 3.525 20 10 GHCDRP Oc1cccc2c1[C@H]([NH2+]Cc1ccc(N3CC[NH+](CC4CC4)CC3)cc1)CC2 ZINC000834697875 1021380636 /nfs/dbraw/zinc/38/06/36/1021380636.db2.gz RKHQFHSWMGJSLQ-JOCHJYFZSA-N 2 0 377.532 3.701 20 10 GHCDRP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CC[NH+](Cc1ccc(C)cc1O)CC2 ZINC001140952574 1022981269 /nfs/dbraw/zinc/98/12/69/1022981269.db2.gz XSZAHHLIKWCJAQ-QFIPXVFZSA-N 2 0 395.547 3.599 20 10 GHCDRP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)c2c1c(F)ccc2O ZINC000756633330 1023746627 /nfs/dbraw/zinc/74/66/27/1023746627.db2.gz HNFAGWWDXCWPAY-FOIQADDNSA-N 2 0 384.495 3.826 20 10 GHCDRP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)c1 ZINC001461056607 1069365486 /nfs/dbraw/zinc/36/54/86/1069365486.db2.gz JHINVUHIWPFNCL-UHFFFAOYSA-N 2 0 398.570 3.709 20 10 GHCDRP COc1cc(C[N@H+](C)C2CCN(Cc3ccccc3)CC2)cc(C[NH+](C)C)c1O ZINC001139256128 1026106248 /nfs/dbraw/zinc/10/62/48/1026106248.db2.gz UTNIXDWUQPULHB-UHFFFAOYSA-N 2 0 397.563 3.559 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc4c(c3)CCCO4)cc2F)CC1 ZINC001461156981 1069417848 /nfs/dbraw/zinc/41/78/48/1069417848.db2.gz SMMUEHWQPDECLL-UHFFFAOYSA-N 2 0 383.511 3.582 20 10 GHCDRP Oc1ccc(F)cc1C[N@@H+]1[C@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001222584786 1030213102 /nfs/dbraw/zinc/21/31/02/1030213102.db2.gz XCBANYJPMQZPLO-NRFANRHFSA-N 2 0 384.495 3.835 20 10 GHCDRP FC(F)(F)Oc1ccc(N2CC[NH+]([C@H]3CCC[C@]4(CC[NH2+]C4)C3)CC2)cc1 ZINC001246995735 1037821308 /nfs/dbraw/zinc/82/13/08/1037821308.db2.gz MJNHMVMUAHFSDU-HKUYNNGSSA-N 2 0 383.458 3.630 20 10 GHCDRP CN(C)c1ccc(C[NH+]2CCC3(CC[C@@H]3[N@H+](C)Cc3ccco3)CC2)c(O)c1 ZINC001232838828 1038589941 /nfs/dbraw/zinc/58/99/41/1038589941.db2.gz MMDGICGSECMAGS-QFIPXVFZSA-N 2 0 383.536 3.928 20 10 GHCDRP CCCC[C@H](CC)COC[C@H](O)C[NH2+]C1CC[NH+](Cc2ccccc2O)CC1 ZINC001253032787 1039368882 /nfs/dbraw/zinc/36/88/82/1039368882.db2.gz XNIOTIWNDYJVJC-SIKLNZKXSA-N 2 0 392.584 3.540 20 10 GHCDRP COc1ccc2ccc(O)c(C[NH+]3C[C@H]4CN(Cc5ccccn5)C[C@@H]4C3)c2c1 ZINC001234535639 1040108884 /nfs/dbraw/zinc/10/88/84/1040108884.db2.gz CRJRCCLAFAQFTP-RTBURBONSA-N 2 0 389.499 3.513 20 10 GHCDRP C[C@@H]([NH2+]Cc1ccccc1N1CC[NH+](C)CC1)c1cc2c(cc1O)CCCC2 ZINC001254720900 1040480302 /nfs/dbraw/zinc/48/03/02/1040480302.db2.gz BUNPLQZKWAGVHS-GOSISDBHSA-N 2 0 379.548 3.874 20 10 GHCDRP Clc1ccccc1OC1CC[NH+](Cc2ccc(N3CC[NH2+]CC3)cc2)CC1 ZINC001235676145 1041133985 /nfs/dbraw/zinc/13/39/85/1041133985.db2.gz XVOPVEFGSNNIFC-UHFFFAOYSA-N 2 0 385.939 3.793 20 10 GHCDRP COc1cc(C[N@H+](CC(C)(C)C)C2CC[NH2+]CC2)c(O)cc1Br ZINC001236459682 1041722506 /nfs/dbraw/zinc/72/25/06/1041722506.db2.gz XHXYZLRTRBXCLS-UHFFFAOYSA-N 2 0 385.346 3.763 20 10 GHCDRP COc1ccccc1C1CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)CC1 ZINC001236940156 1041965426 /nfs/dbraw/zinc/96/54/26/1041965426.db2.gz YNVLRWDANFFFPJ-UHFFFAOYSA-N 2 0 397.538 3.966 20 10 GHCDRP COc1ccccc1[C@H]1CCC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236939516 1041965482 /nfs/dbraw/zinc/96/54/82/1041965482.db2.gz RUPAGUZNQFOEOH-JOCHJYFZSA-N 2 0 383.511 3.923 20 10 GHCDRP Clc1ccc2c(c1)[C@@H]1C[N@@H+](Cc3ccc(N4CC[NH2+]CC4)cc3)CC[C@@H]1N2 ZINC001237251101 1042107777 /nfs/dbraw/zinc/10/77/77/1042107777.db2.gz VPCXVLACWQYDNX-UNMCSNQZSA-N 2 0 382.939 3.533 20 10 GHCDRP [NH3+][C@H](c1ccccc1O)[C@H](N[C@@H]1CCC[N@@H+](C2CCCC2)C1)c1ccccc1O ZINC001256910135 1043736495 /nfs/dbraw/zinc/73/64/95/1043736495.db2.gz XJCSPFRXNWUJCX-UOKFIYJESA-N 2 0 395.547 3.836 20 10 GHCDRP Cc1cc(O)c(C[NH+]2CCC3(CCC[N@@H+](CCN(C)C)C3)CC2)cc1Cl ZINC001279433461 1047805168 /nfs/dbraw/zinc/80/51/68/1047805168.db2.gz UDCGRKIIRDLIJT-UHFFFAOYSA-N 2 0 379.976 3.594 20 10 GHCDRP COc1cc(Br)cc([C@@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)c1O ZINC000848521974 1057146382 /nfs/dbraw/zinc/14/63/82/1057146382.db2.gz SVZYUFXMUXDJSY-GFCCVEGCSA-N 2 0 383.330 3.688 20 10 GHCDRP CC(C)[NH+]1CCN(c2cccc(NC(=O)c3ccc(CC[NH+](C)C)cc3)c2)CC1 ZINC000847635898 1065805276 /nfs/dbraw/zinc/80/52/76/1065805276.db2.gz IZBUBVZZPIWHDO-UHFFFAOYSA-N 2 0 394.563 3.573 20 10 GHCDRP Cc1cc(F)ccc1N1CCC[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001474006929 1074234092 /nfs/dbraw/zinc/23/40/92/1074234092.db2.gz LVZOCIQVTXBKTG-JOCHJYFZSA-N 2 0 396.554 3.645 20 10 GHCDRP CC[C@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000765684964 860398556 /nfs/dbraw/zinc/39/85/56/860398556.db2.gz VVFHURQPXGTOOF-ZEQRLZLVSA-N 2 0 380.580 3.782 20 10 GHCDRP CCN(C)c1ccc(C[N@@H+]2CC[C@H](Oc3ccnc(C[NH+](C)CC)c3)C2)cc1 ZINC000856584940 881557478 /nfs/dbraw/zinc/55/74/78/881557478.db2.gz UYBYYDLZVQNMON-QHCPKHFHSA-N 2 0 382.552 3.643 20 10 GHCDRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)C[C@@H](C)O1 ZINC000792936152 881827063 /nfs/dbraw/zinc/82/70/63/881827063.db2.gz MNOFXMNQZHWJGR-HZPDHXFCSA-N 2 0 387.490 3.750 20 10 GHCDRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2cc(OC)ccc2O)CC1 ZINC000182197544 872020735 /nfs/dbraw/zinc/02/07/35/872020735.db2.gz JJFCHUXWXLEBTM-INIZCTEOSA-N 2 0 387.499 3.533 20 10 GHCDRP COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(N3CC[NH+](C)CC3)cc2)c(OC)c1 ZINC000775647656 872321919 /nfs/dbraw/zinc/32/19/19/872321919.db2.gz XGMUJSNBEZEECI-QHCPKHFHSA-N 2 0 395.547 3.793 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CC(C)(C)Oc4cc(F)ccc43)cc2)CC1 ZINC000771847991 875515777 /nfs/dbraw/zinc/51/57/77/875515777.db2.gz SXLJCZXZBOOEHR-NRFANRHFSA-N 2 0 383.511 3.970 20 10 GHCDRP COc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1Cn1cccn1 ZINC001201946551 875948640 /nfs/dbraw/zinc/94/86/40/875948640.db2.gz GYEQHTRNSYDTRT-AZUAARDMSA-N 2 0 382.552 3.683 20 10 GHCDRP Oc1ccc(-c2ccccc2)cc1C[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000850357776 876848453 /nfs/dbraw/zinc/84/84/53/876848453.db2.gz VEZLUCQFQAIDLR-XMMPIXPASA-N 2 0 388.511 3.916 20 10 GHCDRP COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c1O ZINC000853241013 878925034 /nfs/dbraw/zinc/92/50/34/878925034.db2.gz RRQAHCBZIRJTJQ-HIFRSBDPSA-N 2 0 397.357 3.936 20 10 GHCDRP CCc1ccc([C@H]2C[N@H+](Cc3ccc(N4CC[NH+](C)CC4)cc3)CCO2)cc1 ZINC000792187868 880974205 /nfs/dbraw/zinc/97/42/05/880974205.db2.gz ISWVFDVMSNWPDO-XMMPIXPASA-N 2 0 379.548 3.574 20 10 GHCDRP CCc1ccc([C@@H]2C[N@H+](Cc3ccc(N4CC[NH+](C)CC4)cc3)CCO2)cc1 ZINC000792187865 880974388 /nfs/dbraw/zinc/97/43/88/880974388.db2.gz ISWVFDVMSNWPDO-DEOSSOPVSA-N 2 0 379.548 3.574 20 10 GHCDRP CN(C)c1ccc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c(C(F)(F)F)c1 ZINC001184314254 913122573 /nfs/dbraw/zinc/12/25/73/913122573.db2.gz JTJAZALEGNPHNJ-UHFFFAOYSA-N 2 0 378.442 3.925 20 10 GHCDRP CC[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccc(C(F)(F)F)cc1O ZINC000810229087 888304462 /nfs/dbraw/zinc/30/44/62/888304462.db2.gz RQAKRISFQBOXGV-KRWDZBQOSA-N 2 0 397.441 3.987 20 10 GHCDRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2ccc(N3CCCCC3)c(F)c2)CC1 ZINC000154458165 892264148 /nfs/dbraw/zinc/26/41/48/892264148.db2.gz JWBFJSKZORJRQQ-FQEVSTJZSA-N 2 0 390.591 3.884 20 10 GHCDRP COc1ccc(F)c(C[NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)c1 ZINC000815133583 893508094 /nfs/dbraw/zinc/50/80/94/893508094.db2.gz NWWAKOZEZKOYGV-UHFFFAOYSA-N 2 0 383.511 3.656 20 10 GHCDRP Cc1ccc(O)c(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000815149729 893523302 /nfs/dbraw/zinc/52/33/02/893523302.db2.gz XRAXMLDTXVYSPL-QFIPXVFZSA-N 2 0 380.532 3.719 20 10 GHCDRP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H](CCc2ccccc2)c2ccccc2O)CC1 ZINC000815556996 893994798 /nfs/dbraw/zinc/99/47/98/893994798.db2.gz JYJNJEYNUHMNRS-QFIPXVFZSA-N 2 0 381.564 3.682 20 10 GHCDRP C[C@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000155284554 898561263 /nfs/dbraw/zinc/56/12/63/898561263.db2.gz XZVYSQMZIUIARM-PMACEKPBSA-N 2 0 397.563 3.875 20 10 GHCDRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000823697188 899193103 /nfs/dbraw/zinc/19/31/03/899193103.db2.gz HSBPWLVFPKNHPJ-OAQYLSRUSA-N 2 0 393.575 3.708 20 10 GHCDRP COc1cccc([C@@H](C)[NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)c1O ZINC000846147216 902720983 /nfs/dbraw/zinc/72/09/83/902720983.db2.gz UVDVKCAJGMOWDO-HZPDHXFCSA-N 2 0 387.499 3.704 20 10 GHCDRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)C1 ZINC000246491550 910330075 /nfs/dbraw/zinc/33/00/75/910330075.db2.gz RZRZSEYQSXTDRO-MOPGFXCFSA-N 2 0 377.548 3.681 20 10 GHCDRP CC[NH+](CC)CC[C@@H](C)NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC001181653672 910904473 /nfs/dbraw/zinc/90/44/73/910904473.db2.gz ICAJNXPXQNFSDK-LJQANCHMSA-N 2 0 398.595 3.644 20 10 GHCDRP COc1ccc(OC)c(C[NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)c1 ZINC000092855908 911868479 /nfs/dbraw/zinc/86/84/79/911868479.db2.gz LPUJJAOEUYCTIR-UHFFFAOYSA-N 2 0 395.547 3.526 20 10 GHCDRP CC[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1cc(Cl)ccc1O ZINC000775498508 918374424 /nfs/dbraw/zinc/37/44/24/918374424.db2.gz MFLBVTUPPXOEMB-IBGZPJMESA-N 2 0 389.927 3.578 20 10 GHCDRP c1ccc([C@H]([NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)C2CC2)nc1 ZINC000903132359 922798328 /nfs/dbraw/zinc/79/83/28/922798328.db2.gz YPIZNYSKPOZVAC-XMMPIXPASA-N 2 0 376.548 3.855 20 10 GHCDRP COc1cccc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccc(O)cc2O)CC3)c1 ZINC001204274629 1032717517 /nfs/dbraw/zinc/71/75/17/1032717517.db2.gz RGNBOUZYELLKRM-UHFFFAOYSA-N 2 0 382.504 3.595 20 10 GHCDRP COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)c1 ZINC000756780899 1023813370 /nfs/dbraw/zinc/81/33/70/1023813370.db2.gz YOTBAAYGRZAWDO-GOSISDBHSA-N 2 0 395.547 3.784 20 10 GHCDRP C[C@H](Cn1ccnc1)[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000838899632 1025426865 /nfs/dbraw/zinc/42/68/65/1025426865.db2.gz IWGAPAAEIJRKDM-OAHLLOKOSA-N 2 0 377.330 3.814 20 10 GHCDRP COc1cc(C[NH+]2CCC(Oc3cccc(F)c3)CC2)cc(C[NH+](C)C)c1O ZINC001139256494 1026105944 /nfs/dbraw/zinc/10/59/44/1026105944.db2.gz DKQHLNCFYGMLQS-UHFFFAOYSA-N 2 0 388.483 3.645 20 10 GHCDRP COc1cc(CN(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc(C[NH+](C)C)c1O ZINC001139260652 1026109523 /nfs/dbraw/zinc/10/95/23/1026109523.db2.gz OFXYQFWBFJRUEG-QFIPXVFZSA-N 2 0 397.563 3.559 20 10 GHCDRP COc1cc(C[N@H+](C)Cc2cccc(OC(F)(F)F)c2)cc(C[NH+](C)C)c1O ZINC001139260701 1026110695 /nfs/dbraw/zinc/11/06/95/1026110695.db2.gz QHDCDDJARXDRGP-UHFFFAOYSA-N 2 0 398.425 3.993 20 10 GHCDRP COc1ccccc1CC1CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC001139407778 1026279886 /nfs/dbraw/zinc/27/98/86/1026279886.db2.gz DIAGELLPYKXSRG-UHFFFAOYSA-N 2 0 393.575 3.902 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH+]3CCC4(CC(=O)c5ccccc54)CC3)cc2)CC1 ZINC001139411690 1026283033 /nfs/dbraw/zinc/28/30/33/1026283033.db2.gz YYEOHKGWTDAYMN-UHFFFAOYSA-N 2 0 389.543 3.559 20 10 GHCDRP C[N@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1cc(Cl)ccc1O)CC2 ZINC001203656730 1027510794 /nfs/dbraw/zinc/51/07/94/1027510794.db2.gz WGBFFYRXXDSYGH-GOSISDBHSA-N 2 0 390.911 3.894 20 10 GHCDRP CC[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)c1ccc(C)cc1O ZINC000840889654 1027924470 /nfs/dbraw/zinc/92/44/70/1027924470.db2.gz UAIBSJGYIPMFEQ-QFIPXVFZSA-N 2 0 395.547 3.639 20 10 GHCDRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3ccc(OCc4ccccc4)cc3O)CC2)C1 ZINC000841103778 1028140070 /nfs/dbraw/zinc/14/00/70/1028140070.db2.gz JRRFHWLHABSPEO-XUZZJYLKSA-N 2 0 396.531 3.690 20 10 GHCDRP C[C@H]([NH3+])C1CC[NH+](Cc2ccc(N3CCCCC3)c(Br)c2)CC1 ZINC000843048561 1029786263 /nfs/dbraw/zinc/78/62/63/1029786263.db2.gz HKTASTJICVMEGN-HNNXBMFYSA-N 2 0 380.374 3.999 20 10 GHCDRP Cc1ccccc1/N=N/c1ccc(NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)c(C)c1 ZINC001219204248 1031304845 /nfs/dbraw/zinc/30/48/45/1031304845.db2.gz WHYFKWOKMRILGZ-RTKLVRIJSA-N 2 0 377.492 3.856 20 10 GHCDRP Oc1ccc(Br)cc1C[NH2+][C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246311160 1037289995 /nfs/dbraw/zinc/28/99/95/1037289995.db2.gz KNGXYZUQDYFNLD-ROUUACIJSA-N 2 0 375.310 3.608 20 10 GHCDRP C[N@H+](CCC=C1c2ccccc2CCc2ccccc21)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246880211 1037693902 /nfs/dbraw/zinc/69/39/02/1037693902.db2.gz RQWXMLYPYSXGQV-JOCHJYFZSA-N 2 0 387.571 3.633 20 10 GHCDRP Oc1c(C[NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cccc1OC(F)(F)F ZINC001233760990 1039595485 /nfs/dbraw/zinc/59/54/85/1039595485.db2.gz NMBNWOPXALQTFP-ROUUACIJSA-N 2 0 392.421 3.855 20 10 GHCDRP COc1cccc([C@H]2CCCC[N@@H+]2Cc2ccc(N3CC[NH2+]CC3)cc2O)c1 ZINC001235726879 1041213109 /nfs/dbraw/zinc/21/31/09/1041213109.db2.gz QWWLNSQJLKNZJJ-JOCHJYFZSA-N 2 0 381.520 3.538 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH+]3CCC(c4ccc(N)cc4)CC3)cc2)CC1 ZINC001236334230 1041675733 /nfs/dbraw/zinc/67/57/33/1041675733.db2.gz CJVFCXSLAQLVNR-UHFFFAOYSA-N 2 0 378.564 3.790 20 10 GHCDRP Clc1cc(N2CCOCC2)ccc1C[N@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236374236 1041686330 /nfs/dbraw/zinc/68/63/30/1041686330.db2.gz BQVRWKSMIPKLBB-GOSISDBHSA-N 2 0 391.987 3.921 20 10 GHCDRP COc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(N3CC[NH+](C)CC3)cc2F)cc1 ZINC001236940403 1041965586 /nfs/dbraw/zinc/96/55/86/1041965586.db2.gz PVIKQIJFDYIFOX-HSZRJFAPSA-N 2 0 383.511 3.923 20 10 GHCDRP COc1ccccc1C[C@H](C)[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236943774 1041965973 /nfs/dbraw/zinc/96/59/73/1041965973.db2.gz VJNMWZGZKAIVCV-SFHVURJKSA-N 2 0 385.527 3.649 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@H](Oc4ccccc4)C3)c(F)c2)CC1 ZINC001236940923 1041966035 /nfs/dbraw/zinc/96/60/35/1041966035.db2.gz WWVWFXTXZRZENX-JOCHJYFZSA-N 2 0 383.511 3.621 20 10 GHCDRP Clc1cc(N2CCOCC2)ccc1C[NH+]1CCC(CC2CC[NH2+]CC2)CC1 ZINC001236962268 1041971193 /nfs/dbraw/zinc/97/11/93/1041971193.db2.gz MELVIBZYMUTPJD-UHFFFAOYSA-N 2 0 391.987 3.778 20 10 GHCDRP COc1cc(CN2CCC([N@H+](C)Cc3ccc(F)cc3)CC2)c(O)c(OC)c1 ZINC001237682264 1042322444 /nfs/dbraw/zinc/32/24/44/1042322444.db2.gz XIUAKHMSXLSPNS-UHFFFAOYSA-N 2 0 388.483 3.645 20 10 GHCDRP Cc1ncsc1C[N@@H+]1CCC2(C1)CC[NH+](Cc1cc(F)ccc1O)CC2 ZINC001279196881 1047740595 /nfs/dbraw/zinc/74/05/95/1047740595.db2.gz DHGLIGJJKJCVLB-UHFFFAOYSA-N 2 0 375.513 3.784 20 10 GHCDRP Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001331383030 1051265280 /nfs/dbraw/zinc/26/52/80/1051265280.db2.gz ZUDHBLRPBIVKSC-UYAOXDASSA-N 2 0 380.532 3.866 20 10 GHCDRP C[N@@H+]1CCN(CCC[NH2+]Cc2ccc(N3CCCC3)cc2)[C@@H](c2ccccc2)C1 ZINC001322600036 1056765579 /nfs/dbraw/zinc/76/55/79/1056765579.db2.gz GYWILXHQZWKWFM-RUZDIDTESA-N 2 0 392.591 3.755 20 10 GHCDRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001473932815 1074209013 /nfs/dbraw/zinc/20/90/13/1074209013.db2.gz AUMPVNDTPPTYSF-UHFFFAOYSA-N 2 0 398.570 3.708 20 10 GHCDRP CCN(C)c1ccc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)cc1 ZINC000132637792 835394685 /nfs/dbraw/zinc/39/46/85/835394685.db2.gz AGUNJLAZICENQX-IBGZPJMESA-N 2 0 381.564 3.950 20 10 GHCDRP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000236802507 843687072 /nfs/dbraw/zinc/68/70/72/843687072.db2.gz JAMSUBAIUJLHMW-UHFFFAOYSA-N 2 0 384.543 3.714 20 10 GHCDRP C[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(N2CCCCCC2)cc1 ZINC000765941304 856634059 /nfs/dbraw/zinc/63/40/59/856634059.db2.gz GMJJTQBRHVGKGS-UNMCSNQZSA-N 2 0 384.612 3.886 20 10 GHCDRP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2c3c(ccc2O)oc2c3CCCC2)CC1 ZINC000738169101 865500694 /nfs/dbraw/zinc/50/06/94/865500694.db2.gz FHPCLCZHMLGMTP-GOSISDBHSA-N 2 0 397.563 3.619 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@H]3C[C@@H](O)c3ccc(F)cc3)cc2)CC1 ZINC000775738265 873318622 /nfs/dbraw/zinc/31/86/22/873318622.db2.gz XWQFGSFTVWPHOJ-BJKOFHAPSA-N 2 0 397.538 3.666 20 10 GHCDRP COc1ccccc1[C@H](C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)OC(C)C ZINC000769933370 874374687 /nfs/dbraw/zinc/37/46/87/874374687.db2.gz KRPDBHXXUOLCER-DEOSSOPVSA-N 2 0 397.563 3.703 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CC4(CCC4)Oc4ccccc43)cc2)CC1 ZINC000771843327 875480944 /nfs/dbraw/zinc/48/09/44/875480944.db2.gz OKHPWHSGHCMLTK-QFIPXVFZSA-N 2 0 377.532 3.975 20 10 GHCDRP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1cn2ccccc2n1 ZINC000788687832 878245892 /nfs/dbraw/zinc/24/58/92/878245892.db2.gz FFISSSLMMRKASN-IBGZPJMESA-N 2 0 389.547 3.717 20 10 GHCDRP Oc1ccc2ccc(O)c(C[N@@H+]3CC[C@@H]4C[C@@H]4C3)c2c1C[NH+]1CC[C@@H]2C[C@@H]2C1 ZINC000853576407 879133770 /nfs/dbraw/zinc/13/37/70/879133770.db2.gz DKNDBJOTGRINPF-NCXUSEDFSA-N 2 0 378.516 3.935 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCc4nc(Cl)ccc43)cc2F)CC1 ZINC000806137389 884359388 /nfs/dbraw/zinc/35/93/88/884359388.db2.gz JKQOHNFMMGVBMA-GOSISDBHSA-N 2 0 388.918 3.793 20 10 GHCDRP C[NH+](C)Cc1cccc(C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1 ZINC000914795859 884805208 /nfs/dbraw/zinc/80/52/08/884805208.db2.gz GPALBYYAQUKQDM-UHFFFAOYSA-N 2 0 382.508 3.937 20 10 GHCDRP CSC1(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2Cl)CC[NH+](C)CC1 ZINC000810252012 888353777 /nfs/dbraw/zinc/35/37/77/888353777.db2.gz FNJBAZMLFCJPGY-MRXNPFEDSA-N 2 0 398.016 3.655 20 10 GHCDRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@@H](CCc3ccccc3)c3ccccc3O)C2)CC1 ZINC000815579398 894018669 /nfs/dbraw/zinc/01/86/69/894018669.db2.gz MIQGMRPYOZKXDM-URXFXBBRSA-N 2 0 393.575 3.824 20 10 GHCDRP CC[C@@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)c1ccc(N(C)C)cc1 ZINC000817984590 895992635 /nfs/dbraw/zinc/99/26/35/895992635.db2.gz VCGCGCLVKHMGSA-HSZRJFAPSA-N 2 0 380.580 3.787 20 10 GHCDRP CC[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccc(C(F)(F)F)cc1O ZINC000817983980 895993683 /nfs/dbraw/zinc/99/36/83/895993683.db2.gz SYQSBIRRIWDZNT-HTWSVDAQSA-N 2 0 385.474 3.668 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@H](c3ccc(F)cc3)c3cccnc3)cc2)CC1 ZINC000883290366 897455793 /nfs/dbraw/zinc/45/57/93/897455793.db2.gz SIZIURPUOMKWJO-XMMPIXPASA-N 2 0 390.506 3.852 20 10 GHCDRP COc1c([O-])c(C[NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)ccc1[N+](=O)[O-] ZINC000774987736 914351399 /nfs/dbraw/zinc/35/13/99/914351399.db2.gz ATIJYASLHWBTOT-UHFFFAOYSA-N 2 0 399.491 3.975 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3cccc(OC)c3O)cc2F)CC1 ZINC000846147776 902753378 /nfs/dbraw/zinc/75/33/78/902753378.db2.gz WBWVCFILKKZHHD-INIZCTEOSA-N 2 0 387.499 3.533 20 10 GHCDRP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc2ccccc2c1O ZINC000186060519 907873725 /nfs/dbraw/zinc/87/37/25/907873725.db2.gz WBAYCRYMJACHEF-KRWDZBQOSA-N 2 0 391.515 3.688 20 10 GHCDRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc2ccccc2c1O ZINC000186520197 907937653 /nfs/dbraw/zinc/93/76/53/907937653.db2.gz SEWVWPOXVWGEIR-UWJYYQICSA-N 2 0 376.500 3.963 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(CC(C)C)nc3)cc2F)CC1 ZINC001177697792 908717689 /nfs/dbraw/zinc/71/76/89/908717689.db2.gz GFJZPACXOBUMPG-UHFFFAOYSA-N 2 0 384.543 3.851 20 10 GHCDRP COc1ccc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)c(O)c1OC ZINC001180224937 910024299 /nfs/dbraw/zinc/02/42/99/910024299.db2.gz LGOUBZNYRXJZEE-KRWDZBQOSA-N 2 0 376.541 3.886 20 10 GHCDRP Fc1cc(F)c(C[NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)cc1F ZINC000092855897 911867125 /nfs/dbraw/zinc/86/71/25/911867125.db2.gz WQAIGNVBTHEROJ-UHFFFAOYSA-N 2 0 389.465 3.926 20 10 GHCDRP COc1ccc(C[NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)cc1OC ZINC000092856034 911868531 /nfs/dbraw/zinc/86/85/31/911868531.db2.gz RETLUSPWJIHMTP-UHFFFAOYSA-N 2 0 395.547 3.526 20 10 GHCDRP C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000751150989 928051360 /nfs/dbraw/zinc/05/13/60/928051360.db2.gz DNGLGYBKBBBZME-UGKGYDQZSA-N 2 0 397.538 3.805 20 10 GHCDRP Oc1cc2c(cc1C[N@H+](Cc1ccccc1)C1CCSCC1)C[NH2+]CCO2 ZINC001236269688 1032593612 /nfs/dbraw/zinc/59/36/12/1032593612.db2.gz MUUNTOHBODWZSL-UHFFFAOYSA-N 2 0 384.545 3.772 20 10 GHCDRP COc1ccc(N2CC[NH+](CCCNc3nccc4ccccc43)CC2)cc1 ZINC001156256487 1032944501 /nfs/dbraw/zinc/94/45/01/1032944501.db2.gz ARTXHNPOBWLXQY-UHFFFAOYSA-N 2 0 376.504 3.868 20 10 GHCDRP C[C@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1ccc2ccccc2c1O ZINC000756642393 1023750471 /nfs/dbraw/zinc/75/04/71/1023750471.db2.gz NUEWUFNGYNOHLF-KRWDZBQOSA-N 2 0 397.563 3.823 20 10 GHCDRP COc1cc(C[NH+]2CCC(COc3ccccc3)CC2)cc(C[NH+](C)C)c1O ZINC001139256995 1026106047 /nfs/dbraw/zinc/10/60/47/1026106047.db2.gz OJFHUUIQEZKPHM-UHFFFAOYSA-N 2 0 384.520 3.753 20 10 GHCDRP COc1cc(C[NH+]2CCC(C(C)=O)(c3ccccc3)CC2)cc(C[NH+](C)C)c1O ZINC001139257504 1026108178 /nfs/dbraw/zinc/10/81/78/1026108178.db2.gz CQCCAKPQGHEPIE-UHFFFAOYSA-N 2 0 396.531 3.585 20 10 GHCDRP COc1ccc(C[C@@H]2CCC[N@H+](Cc3cc(C[NH+](C)C)c(O)c(OC)c3)C2)cc1 ZINC001139259206 1026109489 /nfs/dbraw/zinc/10/94/89/1026109489.db2.gz MUBYMLPURNRZAF-IBGZPJMESA-N 2 0 398.547 3.926 20 10 GHCDRP C[N@H+](Cc1ccc(N2CCCC2)cc1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001139409994 1026281575 /nfs/dbraw/zinc/28/15/75/1026281575.db2.gz ZRFOBSHFACYGLX-UHFFFAOYSA-N 2 0 378.564 3.671 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@@H]4C[C@H]3CN4c3ccccc3Cl)cc2)CC1 ZINC001139411384 1026284434 /nfs/dbraw/zinc/28/44/34/1026284434.db2.gz JBGKXMVQKNBLRA-SFTDATJTSA-N 2 0 396.966 3.555 20 10 GHCDRP CCOC(=O)[C@@H]1CC2(C[N@@H+]1Cc1ccc(-n3c(C)ccc3C)cc1)CC[NH2+]CC2 ZINC001222221636 1030016193 /nfs/dbraw/zinc/01/61/93/1030016193.db2.gz OXFKVGGAZLOSEC-QFIPXVFZSA-N 2 0 395.547 3.601 20 10 GHCDRP Cc1cc(O)c(C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)cc1Br ZINC001206760973 1033974078 /nfs/dbraw/zinc/97/40/78/1033974078.db2.gz QMJSPPZLBVVASU-UHFFFAOYSA-N 2 0 389.337 3.956 20 10 GHCDRP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cc(O)c(O)cc3O)C[C@@H]21 ZINC001233484304 1039381985 /nfs/dbraw/zinc/38/19/85/1039381985.db2.gz GBWSZHVXRBUJCN-FHLIZLRMSA-N 2 0 388.533 3.597 20 10 GHCDRP COc1ccc2ccc(O)c(C[NH+]3CCC([NH+]4CCC(OC)CC4)CC3)c2c1 ZINC001234568782 1040135201 /nfs/dbraw/zinc/13/52/01/1040135201.db2.gz CNZRJLSAVUGRMS-UHFFFAOYSA-N 2 0 384.520 3.629 20 10 GHCDRP CCOC(=O)c1c(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c2ccccc2n1C ZINC001235427119 1040929020 /nfs/dbraw/zinc/92/90/20/1040929020.db2.gz MYJWHBRNGOSSPQ-MSOLQXFVSA-N 2 0 383.536 3.567 20 10 GHCDRP Clc1ccc(O[C@@H]2CCC[N@H+](Cc3ccc(N4CC[NH2+]CC4)cc3)C2)cc1 ZINC001235975118 1041479608 /nfs/dbraw/zinc/47/96/08/1041479608.db2.gz WLMBFECTMPCPSF-JOCHJYFZSA-N 2 0 385.939 3.793 20 10 GHCDRP Oc1cc2c(cc1C[N@@H+]1CCC[C@H](Oc3ccc(Cl)cc3)C1)C[NH2+]CCO2 ZINC001235973939 1041479750 /nfs/dbraw/zinc/47/97/50/1041479750.db2.gz QDELZQMMDICWTD-IBGZPJMESA-N 2 0 388.895 3.571 20 10 GHCDRP COc1cc(C[N@H+](C)CC2CC[NH+](C(C)C)CC2)c(O)cc1Br ZINC001236753496 1041872766 /nfs/dbraw/zinc/87/27/66/1041872766.db2.gz OHXBELZMRJHABB-UHFFFAOYSA-N 2 0 385.346 3.716 20 10 GHCDRP COc1cc(Br)cc(C[NH+]2CCC(CC3CC[NH2+]CC3)CC2)c1O ZINC001236947802 1041967514 /nfs/dbraw/zinc/96/75/14/1041967514.db2.gz MCSPZUDNYHWEMI-UHFFFAOYSA-N 2 0 397.357 3.765 20 10 GHCDRP COc1ccc(Br)c(C[NH+]2CCC(CC3CC[NH2+]CC3)CC2)c1O ZINC001236961200 1041970710 /nfs/dbraw/zinc/97/07/10/1041970710.db2.gz DFJYNGVTRVNRNU-UHFFFAOYSA-N 2 0 397.357 3.765 20 10 GHCDRP c1ccc(COc2ccc(N3CC[NH+](CC[C@H]4CCC[NH2+]C4)CC3)cc2)cc1 ZINC001237248356 1042106039 /nfs/dbraw/zinc/10/60/39/1042106039.db2.gz LAMUIXFJDHYRAY-OAQYLSRUSA-N 2 0 379.548 3.777 20 10 GHCDRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1cc(-c2ccc(F)cc2)ccc1O ZINC001237645821 1042302465 /nfs/dbraw/zinc/30/24/65/1042302465.db2.gz LSTRHAJFLCPNFA-UHFFFAOYSA-N 2 0 387.543 3.904 20 10 GHCDRP Cc1cc(F)cc(C[NH+]2CCC3(C[C@H]([N@H+](C)Cc4ccco4)CO3)CC2)c1O ZINC001238059566 1042478390 /nfs/dbraw/zinc/47/83/90/1042478390.db2.gz ACVVYYVRQNPPCM-IBGZPJMESA-N 2 0 388.483 3.688 20 10 GHCDRP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC001308344209 1049953996 /nfs/dbraw/zinc/95/39/96/1049953996.db2.gz BVBIUBMQIJJPIY-VWLOTQADSA-N 2 0 393.575 3.923 20 10 GHCDRP CCN(CC)c1ccc(C[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)cc1F ZINC001308438389 1049976498 /nfs/dbraw/zinc/97/64/98/1049976498.db2.gz ALJCNWBLCUMJFC-UHFFFAOYSA-N 2 0 399.554 3.789 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCc4c3cccc4[N+](=O)[O-])cc2F)CC1 ZINC000848528396 1057150982 /nfs/dbraw/zinc/15/09/82/1057150982.db2.gz LKTHCKHOIPCDBK-HXUWFJFHSA-N 2 0 398.482 3.653 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3c(Cl)ccc4cccnc43)cc2)CC1 ZINC001474249460 1074310102 /nfs/dbraw/zinc/31/01/02/1074310102.db2.gz GDFLEKIKUWTBSN-UHFFFAOYSA-N 2 0 380.923 3.930 20 10 GHCDRP COc1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCC(C)CC2)c(O)c1OC ZINC000893327379 841308768 /nfs/dbraw/zinc/30/87/68/841308768.db2.gz HWNHSKHNECPGQF-UHFFFAOYSA-N 2 0 384.520 3.931 20 10 GHCDRP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](C/C=C/c3ccc(N(C)C)cc3)C2)ccn1 ZINC000856550094 881366383 /nfs/dbraw/zinc/36/63/83/881366383.db2.gz WWSRGDBEZNRLOF-JXSPYEIYSA-N 2 0 394.563 3.766 20 10 GHCDRP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccc(Cl)cc3O)C2)ccn1 ZINC001183046065 912214011 /nfs/dbraw/zinc/21/40/11/912214011.db2.gz SRQQWUFACIZNCM-LJQANCHMSA-N 2 0 375.900 3.546 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@H]3c3cccc4c3OCCO4)cc2)CC1 ZINC000775674454 872702168 /nfs/dbraw/zinc/70/21/68/872702168.db2.gz CBNILWFEJBITKK-QFIPXVFZSA-N 2 0 393.531 3.547 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@H](C(=O)c4ccc(F)cc4)C3)cc2)CC1 ZINC000775715204 873092749 /nfs/dbraw/zinc/09/27/49/873092749.db2.gz UJPZHLUPRFHIIR-OAQYLSRUSA-N 2 0 395.522 3.672 20 10 GHCDRP O=[N+]([O-])c1cc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)ccc1N1CCCCC1 ZINC000768303445 873221537 /nfs/dbraw/zinc/22/15/37/873221537.db2.gz OKQJURBBMSPJKI-UHFFFAOYSA-N 2 0 386.540 3.893 20 10 GHCDRP CC[N@H+](CCC1CC[NH+](Cc2cc(OC)c(OC)cc2O)CC1)CC1CC1 ZINC000770684784 874821441 /nfs/dbraw/zinc/82/14/41/874821441.db2.gz MITBHDLVZQXMBG-UHFFFAOYSA-N 2 0 376.541 3.743 20 10 GHCDRP Cc1cc(O)c(C[NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)c(Cl)c1 ZINC001199190024 874845173 /nfs/dbraw/zinc/84/51/73/874845173.db2.gz RAZCFLCGTGYZAK-OAQYLSRUSA-N 2 0 387.955 3.822 20 10 GHCDRP COc1ccc2ccc(O)c(C[NH+]3CCN(C4CC[NH+](C(C)C)CC4)CC3)c2c1 ZINC000771176759 875091564 /nfs/dbraw/zinc/09/15/64/875091564.db2.gz VQYVMQUARPHIDJ-UHFFFAOYSA-N 2 0 397.563 3.544 20 10 GHCDRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3ccc(N4CCC(O)CC4)cc3)CC2)C1 ZINC000850566497 877033365 /nfs/dbraw/zinc/03/33/65/877033365.db2.gz OJNOWSUHVOGYGV-AUSIDOKSSA-N 2 0 385.596 3.780 20 10 GHCDRP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1cn2ccccc2n1 ZINC000788687833 878245609 /nfs/dbraw/zinc/24/56/09/878245609.db2.gz FFISSSLMMRKASN-LJQANCHMSA-N 2 0 389.547 3.717 20 10 GHCDRP CC[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093818775 912452258 /nfs/dbraw/zinc/45/22/58/912452258.db2.gz OSFATONEGMVZDF-XMMPIXPASA-N 2 0 393.575 3.867 20 10 GHCDRP CCCN(CCC)c1ccc(C[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000809740796 887776631 /nfs/dbraw/zinc/77/66/31/887776631.db2.gz IVBHEJUSCDQSDM-XMMPIXPASA-N 2 0 386.628 3.913 20 10 GHCDRP Cc1n[nH]c(C)c1[C@@H]1CCCCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809756239 887797068 /nfs/dbraw/zinc/79/70/68/887797068.db2.gz FPLFLXQDNRCGIX-QFIPXVFZSA-N 2 0 381.568 3.896 20 10 GHCDRP [NH3+]C1CCC(N(c2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC001170645340 890034697 /nfs/dbraw/zinc/03/46/97/890034697.db2.gz CWQHLZIFCHBOIC-NSKBAKJYSA-N 2 0 392.503 3.830 20 10 GHCDRP CSc1ccc([C@@H](C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)N(C)C)cc1 ZINC000815166249 893503412 /nfs/dbraw/zinc/50/34/12/893503412.db2.gz DZTDBFINPRKUGJ-HSZRJFAPSA-N 2 0 398.620 3.553 20 10 GHCDRP C[C@H](Cc1ccc(O)cc1)[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000816558779 894944608 /nfs/dbraw/zinc/94/46/08/894944608.db2.gz LHTRIDUDHMYNBK-LJQANCHMSA-N 2 0 379.548 3.645 20 10 GHCDRP COc1cccc([C@H](C)[NH2+]Cc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)c1O ZINC000846137690 902745832 /nfs/dbraw/zinc/74/58/32/902745832.db2.gz GAYQTMUBIJBMDU-BZSNNMDCSA-N 2 0 384.520 3.861 20 10 GHCDRP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)CC1 ZINC000773149094 904491311 /nfs/dbraw/zinc/49/13/11/904491311.db2.gz ZXVCWRSYMDGDHW-UHFFFAOYSA-N 3 0 384.612 3.571 20 10 GHCDRP CC(C)c1ccc(O)c(C[NH+]2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC001181689185 910898274 /nfs/dbraw/zinc/89/82/74/910898274.db2.gz WFCSNCUPYWKWBV-DEOSSOPVSA-N 2 0 393.575 3.908 20 10 GHCDRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccc(N2CCCCC2)c(F)c1 ZINC000248175414 911827916 /nfs/dbraw/zinc/82/79/16/911827916.db2.gz VMMIQZPAAHXFEQ-ICSRJNTNSA-N 2 0 377.548 3.704 20 10 GHCDRP c1cc(N2CC[NH+](CC3CC3)CC2)ccc1C[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000798496870 932671490 /nfs/dbraw/zinc/67/14/90/932671490.db2.gz WKDWLZKACRIIID-TZRRMPRUSA-N 2 0 397.607 3.904 20 10 GHCDRP Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC001116565513 933636868 /nfs/dbraw/zinc/63/68/68/933636868.db2.gz RZIUWSZTHKDUPD-UWJYYQICSA-N 2 0 380.532 3.995 20 10 GHCDRP CCCN(CCC[NH+](C)C)C(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC001138319600 1024650551 /nfs/dbraw/zinc/65/05/51/1024650551.db2.gz XZLFINRGJQGNKG-UHFFFAOYSA-N 2 0 398.595 3.598 20 10 GHCDRP C[C@H]1CN(c2ccc(C[NH2+]C3CCN(c4cc[nH+]cc4)CC3)cc2F)C[C@H](C)O1 ZINC000838906018 1025433303 /nfs/dbraw/zinc/43/33/03/1025433303.db2.gz HBYKLIGDKPVTJI-ROUUACIJSA-N 2 0 398.526 3.593 20 10 GHCDRP COC(=O)c1ccc([C@H]2CCC[N@@H+]2Cc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC001139411432 1026283622 /nfs/dbraw/zinc/28/36/22/1026283622.db2.gz LOGUKSRAZAZDIM-HSZRJFAPSA-N 2 0 393.531 3.562 20 10 GHCDRP COC(=O)c1cccc([C@H]2CCC[N@@H+]2Cc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC001139411498 1026283883 /nfs/dbraw/zinc/28/38/83/1026283883.db2.gz OXQPKKZIUHLRDA-HSZRJFAPSA-N 2 0 393.531 3.562 20 10 GHCDRP COc1cccc(C[NH+]2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1O ZINC001203591272 1027456203 /nfs/dbraw/zinc/45/62/03/1027456203.db2.gz GATIWOJNNCDXEQ-NRFANRHFSA-N 2 0 396.531 3.656 20 10 GHCDRP CN(C)c1ccc(C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C2)cc1 ZINC001203931054 1027723274 /nfs/dbraw/zinc/72/32/74/1027723274.db2.gz AGJAUQNCYJRBJB-ZCYQVOJMSA-N 2 0 397.607 3.713 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@H](c3ccccc3)C3(CO)CC=CC3)cc2)CC1 ZINC000843432890 1030005187 /nfs/dbraw/zinc/00/51/87/1030005187.db2.gz MCTZHUHIPXQOLX-XMMPIXPASA-N 2 0 391.559 3.598 20 10 GHCDRP c1ccc2oc(-c3ccc(N4CC[NH+](CC5CC[NH2+]CC5)CC4)cc3)nc2c1 ZINC001207443167 1034370630 /nfs/dbraw/zinc/37/06/30/1034370630.db2.gz OJKFWWQSNAUXFR-UHFFFAOYSA-N 2 0 376.504 3.616 20 10 GHCDRP Oc1ccc(Br)cc1C[NH+]1CCC2(CC1)C[NH2+]Cc1ccccc12 ZINC001235086835 1040574363 /nfs/dbraw/zinc/57/43/63/1040574363.db2.gz PWXMHRWAGYOQIC-UHFFFAOYSA-N 2 0 387.321 3.792 20 10 GHCDRP COc1cc(O)c(C[N@@H+]2CCCC[C@H]2C2CC[NH2+]CC2)cc1Br ZINC001235156371 1040647597 /nfs/dbraw/zinc/64/75/97/1040647597.db2.gz GMCUDGWZDZXDIJ-INIZCTEOSA-N 2 0 383.330 3.517 20 10 GHCDRP C[N@H+](Cc1ccc(N2CC[NH2+]CC2)cc1)Cc1cccc(Br)c1F ZINC001235839933 1041368016 /nfs/dbraw/zinc/36/80/16/1041368016.db2.gz CYQIPHXMFCDSET-UHFFFAOYSA-N 2 0 392.316 3.630 20 10 GHCDRP Oc1cc(N2CC[NH2+]CC2)ccc1C[N@@H+]1CCC[C@H]1c1c[nH]c2ccccc21 ZINC001236195213 1041612629 /nfs/dbraw/zinc/61/26/29/1041612629.db2.gz YKXHAVGIUHKETB-QFIPXVFZSA-N 2 0 376.504 3.620 20 10 GHCDRP Oc1ccc2cc(Br)ccc2c1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236321364 1041670202 /nfs/dbraw/zinc/67/02/02/1041670202.db2.gz ISICQINMNHEFNX-GASCZTMLSA-N 2 0 375.310 3.739 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[N@H+](C[C@@H]3CCC[NH2+]C3)C3CCCC3)cc2)CC1 ZINC001236375977 1041687227 /nfs/dbraw/zinc/68/72/27/1041687227.db2.gz NXYIFZHUBUUAIN-JOCHJYFZSA-N 3 0 384.612 3.573 20 10 GHCDRP COc1cc(C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)c(O)cc1Br ZINC001236375245 1041687287 /nfs/dbraw/zinc/68/72/87/1041687287.db2.gz JSASWLJYOROKRW-CQSZACIVSA-N 2 0 397.357 3.908 20 10 GHCDRP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CC[NH+](Cc1c(C)cccc1O)CC2 ZINC001237486723 1042229858 /nfs/dbraw/zinc/22/98/58/1042229858.db2.gz TUYXZKSZAXCIPX-NRFANRHFSA-N 2 0 395.547 3.599 20 10 GHCDRP C[N@H+](CCc1cccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)c1)C1CC1 ZINC001308351924 1049955641 /nfs/dbraw/zinc/95/56/41/1049955641.db2.gz AGSSMDIMYMGPER-UHFFFAOYSA-N 2 0 378.564 3.687 20 10 GHCDRP Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC001323828484 1057020309 /nfs/dbraw/zinc/02/03/09/1057020309.db2.gz AAEXWFDEQATGKF-QMMLZNLJSA-N 2 0 380.532 3.995 20 10 GHCDRP CCC[NH+]1CCC(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2Cl)CC1 ZINC000122671477 838050020 /nfs/dbraw/zinc/05/00/20/838050020.db2.gz ZLHYGMSPXRXECJ-QGZVFWFLSA-N 2 0 379.976 3.949 20 10 GHCDRP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2ccc(N(C)C)cc2C)CC1 ZINC000236802553 843687133 /nfs/dbraw/zinc/68/71/33/843687133.db2.gz BAGYDHIJYXONMT-UHFFFAOYSA-N 2 0 380.580 3.883 20 10 GHCDRP COc1ccc(N2CCC([NH2+]C[C@H]3CC[N@H+](CCc4ccccc4)C3)CC2)cc1 ZINC000165313105 854840208 /nfs/dbraw/zinc/84/02/08/854840208.db2.gz NYUQKBQUYRSWKS-JOCHJYFZSA-N 2 0 393.575 3.818 20 10 GHCDRP COc1ccc(N2CCC([NH2+]Cc3ccc(OCCC[NH+](C)C)cc3)CC2)cc1 ZINC000765703947 860425495 /nfs/dbraw/zinc/42/54/95/860425495.db2.gz AUPRJEHMQUXECO-UHFFFAOYSA-N 2 0 397.563 3.784 20 10 GHCDRP C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1cc(F)ccc1O ZINC000185360835 866017333 /nfs/dbraw/zinc/01/73/33/866017333.db2.gz ZPNDTSSIZPTFKA-GJZGRUSLSA-N 2 0 375.463 3.834 20 10 GHCDRP CC[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cc(Cl)ccc1O ZINC000775522859 870298334 /nfs/dbraw/zinc/29/83/34/870298334.db2.gz CGHKEHCJFPLUQI-LJQANCHMSA-N 2 0 389.927 3.578 20 10 GHCDRP C[N@H+](Cc1csc(Br)c1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775659802 872445106 /nfs/dbraw/zinc/44/51/06/872445106.db2.gz NTCNMIXKQRJKIY-UHFFFAOYSA-N 2 0 394.382 3.894 20 10 GHCDRP COc1cc(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c(O)c(C(C)(C)C)c1 ZINC000850242322 876752447 /nfs/dbraw/zinc/75/24/47/876752447.db2.gz PDMXGZLKVCITSN-HXUWFJFHSA-N 2 0 398.547 3.555 20 10 GHCDRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1cc2oc3ccccc3c2cc1O ZINC000746647361 877198435 /nfs/dbraw/zinc/19/84/35/877198435.db2.gz IILLTRYEJOFPNA-ZDWFVDTJSA-N 2 0 380.488 3.975 20 10 GHCDRP CCN(Cc1ccccc1)c1ccc(C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)cc1 ZINC000915228089 886070830 /nfs/dbraw/zinc/07/08/30/886070830.db2.gz HOQXZQUQSXAZJC-UHFFFAOYSA-N 2 0 394.607 3.829 20 10 GHCDRP CCN(Cc1ccccc1)c1ccc(C[N@H+](C)CCCN2CC[NH+](C)CC2)cc1 ZINC000809743689 887778277 /nfs/dbraw/zinc/77/82/77/887778277.db2.gz ZQMVMJFUZKYHSY-UHFFFAOYSA-N 2 0 394.607 3.782 20 10 GHCDRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)C2)CC1 ZINC000809757010 887799003 /nfs/dbraw/zinc/79/90/03/887799003.db2.gz VSYHZDHWBQQFRB-FQEVSTJZSA-N 2 0 386.540 3.749 20 10 GHCDRP CC[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccc(C)cc1O ZINC000794812677 888184128 /nfs/dbraw/zinc/18/41/28/888184128.db2.gz YMIDCEIGOAVAEF-QFIPXVFZSA-N 2 0 395.547 3.767 20 10 GHCDRP Cc1c(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)sc2nc(C)nc(C)c12 ZINC000883283924 897444292 /nfs/dbraw/zinc/44/42/92/897444292.db2.gz ZATBNRYGRMQPJE-UHFFFAOYSA-N 2 0 395.576 3.658 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCc4cc(F)c(F)c(F)c4C3)cc2)CC1 ZINC001171505593 904782329 /nfs/dbraw/zinc/78/23/29/904782329.db2.gz KFCSLFWRDCUIHI-QGZVFWFLSA-N 2 0 389.465 3.503 20 10 GHCDRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2cc(Br)cc(C)c2O)CC1 ZINC000186999470 908016478 /nfs/dbraw/zinc/01/64/78/908016478.db2.gz WSJZOQGHCRTXQD-INIZCTEOSA-N 2 0 398.389 3.531 20 10 GHCDRP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1ccc(OC(F)F)cc1 ZINC001177180663 908461798 /nfs/dbraw/zinc/46/17/98/908461798.db2.gz DBDJGPCBAGYEDE-INIZCTEOSA-N 2 0 375.463 3.891 20 10 GHCDRP CCCOc1ccc(C[NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)cc1C ZINC001177636792 908684482 /nfs/dbraw/zinc/68/44/82/908684482.db2.gz GNBRUUVEWLMGLG-QHCPKHFHSA-N 2 0 381.564 3.862 20 10 GHCDRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccc(N2CCCCC2)c(F)c1 ZINC000248175417 911828374 /nfs/dbraw/zinc/82/83/74/911828374.db2.gz VMMIQZPAAHXFEQ-QUCCMNQESA-N 2 0 377.548 3.704 20 10 GHCDRP CC[C@@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1cc(Cl)ccc1O ZINC000775510992 918520659 /nfs/dbraw/zinc/52/06/59/918520659.db2.gz BYTVDZNWLQSRNP-GOSISDBHSA-N 2 0 395.975 3.713 20 10 GHCDRP c1cc(N2CC[NH+](CC3CC3)CC2)ccc1C[NH2+][C@@H]1CCCC12CCOCC2 ZINC000800482980 920167413 /nfs/dbraw/zinc/16/74/13/920167413.db2.gz SAPDSFNMSGXOAD-HSZRJFAPSA-N 2 0 383.580 3.658 20 10 GHCDRP COc1ccc(C2=CC[N@H+](Cc3cc(C[NH+](C)C)c(O)c(OC)c3)CC2)cc1 ZINC001139259959 1026110149 /nfs/dbraw/zinc/11/01/49/1026110149.db2.gz FMPYIDOYFMBXEB-UHFFFAOYSA-N 2 0 382.504 3.760 20 10 GHCDRP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CC[NH+](C2CCCCC2)CC1 ZINC001139411493 1026283458 /nfs/dbraw/zinc/28/34/58/1026283458.db2.gz OWEJASBDACMNHY-UHFFFAOYSA-N 3 0 384.612 3.667 20 10 GHCDRP C[C@H]([NH2+]Cc1ccc(N2CCCCC2)c(Br)c1)[C@H]1CCC[NH2+]C1 ZINC000841034324 1028058564 /nfs/dbraw/zinc/05/85/64/1028058564.db2.gz XDEBNEISRPNVJB-RDJZCZTQSA-N 2 0 380.374 3.917 20 10 GHCDRP C[NH2+]CC1CC[NH+](Cc2ccc(N3CCCCC3)c(Br)c2)CC1 ZINC000843049802 1029786696 /nfs/dbraw/zinc/78/66/96/1029786696.db2.gz UTGSGNJUAFOTLJ-UHFFFAOYSA-N 2 0 380.374 3.871 20 10 GHCDRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cccc(C(C)(C)C)c1O)C2 ZINC001143107789 1029844645 /nfs/dbraw/zinc/84/46/45/1029844645.db2.gz CIRDGKLWUNHZFK-YKSBVNFPSA-N 2 0 386.580 3.870 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH+]3CCCC4(CCCC[NH2+]C4)CCC3)cc2)CC1 ZINC001222114175 1029970057 /nfs/dbraw/zinc/97/00/57/1029970057.db2.gz VLWKKPHKLOVVLU-UHFFFAOYSA-N 3 0 398.639 3.964 20 10 GHCDRP CCOC(=O)[C@@H]1CC2(C[N@@H+]1Cc1cc(C)n(-c3ccccc3)c1C)CC[NH2+]CC2 ZINC001222221409 1030016532 /nfs/dbraw/zinc/01/65/32/1030016532.db2.gz MOAUIKCEVJXQDM-QFIPXVFZSA-N 2 0 395.547 3.601 20 10 GHCDRP Cc1cccc(C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)c1O ZINC001231593670 1034749285 /nfs/dbraw/zinc/74/92/85/1034749285.db2.gz YKCLAWUCANZXMG-VWNXMTODSA-N 2 0 384.564 3.661 20 10 GHCDRP Cc1cc(Br)cc(C[N@@H+]2CCC[C@H](Oc3ccncc3)C2)c1O ZINC001233111767 1038903434 /nfs/dbraw/zinc/90/34/34/1038903434.db2.gz WXJWQEUWZZVIJY-KRWDZBQOSA-N 2 0 377.282 3.902 20 10 GHCDRP COc1ccc2ccc(O)c(C[NH+]3C[C@@H]4CN(Cc5ccccn5)C[C@H]4C3)c2c1 ZINC001234535638 1040108122 /nfs/dbraw/zinc/10/81/22/1040108122.db2.gz CRJRCCLAFAQFTP-OALUTQOASA-N 2 0 389.499 3.513 20 10 GHCDRP CCN(CC)c1ccc(C[N@@H+]2CCC[C@]23C[NH2+]C[C@@H]3c2ccccc2)c(O)c1 ZINC001235251982 1040733263 /nfs/dbraw/zinc/73/32/63/1040733263.db2.gz YOGIWBVTKSESRZ-ISKFKSNPSA-N 2 0 379.548 3.960 20 10 GHCDRP CCOC(=O)c1c(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c2ccccc2n1C ZINC001235427128 1040929202 /nfs/dbraw/zinc/92/92/02/1040929202.db2.gz MYJWHBRNGOSSPQ-ZWKOTPCHSA-N 2 0 383.536 3.567 20 10 GHCDRP Oc1cc2c(cc1C[NH+]1CCC(Oc3ccccc3Cl)CC1)C[NH2+]CCO2 ZINC001235673074 1041132860 /nfs/dbraw/zinc/13/28/60/1041132860.db2.gz APCUKIBQYVEJSU-UHFFFAOYSA-N 2 0 388.895 3.571 20 10 GHCDRP Oc1cc(N2CC[NH2+]CC2)ccc1C[NH+]1CCC(CCc2ccccc2)CC1 ZINC001235677095 1041138947 /nfs/dbraw/zinc/13/89/47/1041138947.db2.gz XRFSWXFXTOXIAK-UHFFFAOYSA-N 2 0 379.548 3.647 20 10 GHCDRP C[N@H+](CCC=C1c2ccccc2CCc2ccccc21)CC[C@@H]1C[NH2+]CCO1 ZINC001236102783 1041535802 /nfs/dbraw/zinc/53/58/02/1041535802.db2.gz RZZCLCVVEMMCOW-JOCHJYFZSA-N 2 0 376.544 3.917 20 10 GHCDRP CCOC(=O)c1c(C[N@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)c2ccccc2n1C ZINC001236572169 1041766620 /nfs/dbraw/zinc/76/66/20/1041766620.db2.gz JWQYBSBIRYLPKG-SAABIXHNSA-N 2 0 383.536 3.979 20 10 GHCDRP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccccc2)Cc2ccc(N3CCOCC3)cc2F)CC1 ZINC001236691072 1041833993 /nfs/dbraw/zinc/83/39/93/1041833993.db2.gz ZLVWXXUTKKDYHS-HZCBDIJESA-N 2 0 397.538 3.934 20 10 GHCDRP CCc1ccc(C[NH+]2CCC3(C[C@@H]([N@H+](C)Cc4ccco4)CO3)CC2)c(O)c1 ZINC001236788403 1041894611 /nfs/dbraw/zinc/89/46/11/1041894611.db2.gz TXXJXDDUVOGMMD-HXUWFJFHSA-N 2 0 384.520 3.803 20 10 GHCDRP COc1cc(C)c(C[NH+]2CCN(c3cc(C)[nH+]c4ccccc43)CC2)c(O)c1 ZINC001236807747 1041909095 /nfs/dbraw/zinc/90/90/95/1041909095.db2.gz KNBFSELBPFEVEO-UHFFFAOYSA-N 2 0 377.488 3.888 20 10 GHCDRP FC(F)(F)Oc1ccc(N2CC[NH+](Cc3cc4c(s3)C[NH2+]CC4)CC2)cc1 ZINC001237204855 1042091076 /nfs/dbraw/zinc/09/10/76/1042091076.db2.gz HOIKBVBVPATEHZ-UHFFFAOYSA-N 2 0 397.466 3.615 20 10 GHCDRP C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001256523122 1043447024 /nfs/dbraw/zinc/44/70/24/1043447024.db2.gz NCKLINWKSZIMTP-URXFXBBRSA-N 3 0 392.591 3.581 20 10 GHCDRP CCOc1ccc(C[C@@H](C)C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC001308427828 1049973903 /nfs/dbraw/zinc/97/39/03/1049973903.db2.gz NVVLAGJQDVJIAQ-HXUWFJFHSA-N 2 0 381.564 3.806 20 10 GHCDRP CCOc1ccc(C[C@H](C)C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC001308427827 1049974030 /nfs/dbraw/zinc/97/40/30/1049974030.db2.gz NVVLAGJQDVJIAQ-FQEVSTJZSA-N 2 0 381.564 3.806 20 10 GHCDRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2ccc(N3CCCCCC3)cc2)CC1 ZINC000121261560 837090018 /nfs/dbraw/zinc/09/00/18/837090018.db2.gz XSUSRJUIZGZPFY-VXKWHMMOSA-N 2 0 386.628 3.991 20 10 GHCDRP Cc1cc(N(C)C)ccc1C[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856559205 881438876 /nfs/dbraw/zinc/43/88/76/881438876.db2.gz PGGKAFHYFJVACZ-XMMPIXPASA-N 2 0 396.579 3.950 20 10 GHCDRP CC[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cc(Cl)ccc1O ZINC000775522858 870297596 /nfs/dbraw/zinc/29/75/96/870297596.db2.gz CGHKEHCJFPLUQI-IBGZPJMESA-N 2 0 389.927 3.578 20 10 GHCDRP C[NH+]1CCN(c2ccc(CN3CCC[C@@H](C[NH+]4CCCCCC4)C3)cc2)CC1 ZINC000775679188 872810496 /nfs/dbraw/zinc/81/04/96/872810496.db2.gz PYSZGCDZQZUTJG-QHCPKHFHSA-N 2 0 384.612 3.526 20 10 GHCDRP Cc1cccc(NC2CC[NH+](Cc3ccc(N4CC[NH+](C)CC4)cc3)CC2)c1 ZINC000775716651 873088610 /nfs/dbraw/zinc/08/86/10/873088610.db2.gz ZCQWBWYWURCPQN-UHFFFAOYSA-N 2 0 378.564 3.823 20 10 GHCDRP COc1cc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c(O)c(C(C)(C)C)c1 ZINC000850194289 876722179 /nfs/dbraw/zinc/72/21/79/876722179.db2.gz DGEYGWASCQZUPC-SFTDATJTSA-N 2 0 390.568 3.556 20 10 GHCDRP Oc1cc2c(cc1C[NH2+]C[C@H]1C[N@H+](Cc3ccccc3)CC13CCC3)OCO2 ZINC000850401994 876882430 /nfs/dbraw/zinc/88/24/30/876882430.db2.gz CNQCPIHFHUBXLP-IBGZPJMESA-N 2 0 380.488 3.513 20 10 GHCDRP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cc2c(cc1O)CCCC2 ZINC000850508035 876980270 /nfs/dbraw/zinc/98/02/70/876980270.db2.gz JWPKKBZGPXWSIH-VGOFRKELSA-N 2 0 380.532 3.688 20 10 GHCDRP c1cc(N2CC[NH+](CC3CC3)CC2)ccc1C[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1 ZINC000788986150 878495149 /nfs/dbraw/zinc/49/51/49/878495149.db2.gz WHFDYFQSPJZQCF-ICDZXHCJSA-N 2 0 397.607 3.904 20 10 GHCDRP COc1ccc([C@H](C)[C@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)cc1OC ZINC001183525865 912584722 /nfs/dbraw/zinc/58/47/22/912584722.db2.gz ISNZREVPVJZYDL-MOPGFXCFSA-N 2 0 397.563 3.737 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3ccc(F)c(OC)c3)cc2F)CC1 ZINC000153676657 887274867 /nfs/dbraw/zinc/27/48/67/887274867.db2.gz HBEQRFCLPZSQQV-MRXNPFEDSA-N 2 0 389.490 3.966 20 10 GHCDRP OC1CCN(c2ccc(C[NH2+]Cc3cccc(C[NH+]4CCCC4)c3)cc2)CC1 ZINC000877143731 893506217 /nfs/dbraw/zinc/50/62/17/893506217.db2.gz ANSKEYQDELTKOS-UHFFFAOYSA-N 2 0 379.548 3.533 20 10 GHCDRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000817898452 895952668 /nfs/dbraw/zinc/95/26/68/895952668.db2.gz GFNFDIZBPZZECW-RDJZCZTQSA-N 2 0 390.478 3.770 20 10 GHCDRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000817903735 895956166 /nfs/dbraw/zinc/95/61/66/895956166.db2.gz ULSKTXWXYKNLJZ-HRAATJIYSA-N 2 0 389.490 3.805 20 10 GHCDRP Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000817934051 895964943 /nfs/dbraw/zinc/96/49/43/895964943.db2.gz AWVBCRGAFGMGHK-OEOAZWSVSA-N 2 0 379.548 3.838 20 10 GHCDRP Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000817934049 895965359 /nfs/dbraw/zinc/96/53/59/895965359.db2.gz AWVBCRGAFGMGHK-JKFKMHIGSA-N 2 0 379.548 3.838 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCCOc4ccccc43)cc2F)CC1 ZINC000155293626 898571890 /nfs/dbraw/zinc/57/18/90/898571890.db2.gz FNXVOIGOEAYOCQ-NRFANRHFSA-N 2 0 383.511 3.971 20 10 GHCDRP CN(Cc1cccs1)c1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1 ZINC000823997221 899348098 /nfs/dbraw/zinc/34/80/98/899348098.db2.gz XMCKXOKDAVYHEX-DHIUTWEWSA-N 2 0 399.604 3.852 20 10 GHCDRP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](Cc3c(O)cc(O)cc3O)C[C@@H]21 ZINC001144509950 902310511 /nfs/dbraw/zinc/31/05/11/902310511.db2.gz OJBIIPOFOQVEOW-DKSSEZFCSA-N 2 0 388.533 3.597 20 10 GHCDRP COc1ccc(Cl)c2c1C[C@H]([NH2+]Cc1ccc(N3CC[NH+](C)CC3)cc1)CC2 ZINC001171287348 903613919 /nfs/dbraw/zinc/61/39/19/903613919.db2.gz FBSRXEUROSFMSG-GOSISDBHSA-N 2 0 399.966 3.748 20 10 GHCDRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000773067145 904407913 /nfs/dbraw/zinc/40/79/13/904407913.db2.gz FFBUHAZRFHHZMI-JJEOQYAHSA-N 2 0 389.559 3.844 20 10 GHCDRP CCc1noc(C)c1[C@@H](C)[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000773145066 904480216 /nfs/dbraw/zinc/48/02/16/904480216.db2.gz IGTDWFPUYRPTSD-QGZVFWFLSA-N 2 0 382.552 3.928 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3ccc(NC(C)=O)cc3)cc2F)CC1 ZINC000182070983 907128838 /nfs/dbraw/zinc/12/88/38/907128838.db2.gz HGPQBLKUXXZQNC-KRWDZBQOSA-N 2 0 398.526 3.777 20 10 GHCDRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000749287494 927035904 /nfs/dbraw/zinc/03/59/04/927035904.db2.gz OHRXMODTVYVHAY-GBXCKJPGSA-N 2 0 379.548 3.523 20 10 GHCDRP CN(Cc1cccs1)c1ccc(C[NH2+]CCCN2CCC[N@H+](C)CC2)cc1 ZINC000830231540 935917725 /nfs/dbraw/zinc/91/77/25/935917725.db2.gz HWEQLTCDWUXGST-UHFFFAOYSA-N 2 0 386.609 3.502 20 10 GHCDRP CC[N@@H+]1CCCC[C@H]1c1ccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)nc1 ZINC001156658829 1033161544 /nfs/dbraw/zinc/16/15/44/1033161544.db2.gz GWHHFZHTVYEIRU-QHCPKHFHSA-N 2 0 393.579 3.992 20 10 GHCDRP c1cc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccc(N4CCOCC4)cc2)CC3)co1 ZINC001138495514 1024928723 /nfs/dbraw/zinc/92/87/23/1024928723.db2.gz CYTQAAOMGBAZJK-UHFFFAOYSA-N 2 0 395.547 3.604 20 10 GHCDRP COc1cc(C[N@H+](C)Cc2ccc(Br)cc2)cc(C[NH+](C)C)c1O ZINC001139257259 1026108154 /nfs/dbraw/zinc/10/81/54/1026108154.db2.gz WDXMQZBOPNPDPA-UHFFFAOYSA-N 2 0 393.325 3.857 20 10 GHCDRP COc1cc(C[NH+]2CCC(OC)(c3ccccc3)CC2)cc(C[NH+](C)C)c1O ZINC001139259203 1026110657 /nfs/dbraw/zinc/11/06/57/1026110657.db2.gz MRRXOAQEVGAKMD-UHFFFAOYSA-N 2 0 384.520 3.600 20 10 GHCDRP COc1cccc([C@@H]2CSCC[N@@H+]2Cc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC001139411551 1026283389 /nfs/dbraw/zinc/28/33/89/1026283389.db2.gz RGKMXQJXTXTZTH-QHCPKHFHSA-N 2 0 397.588 3.737 20 10 GHCDRP CCN(CC)c1ccc(C[NH2+]Cc2cccc(CN3CC[NH+](C)CC3)c2)cc1F ZINC001461151049 1069414953 /nfs/dbraw/zinc/41/49/53/1069414953.db2.gz RCCPGWLAHCZPDO-UHFFFAOYSA-N 2 0 398.570 3.709 20 10 GHCDRP CCN(CC)c1ccc(C[N@@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)cc1 ZINC001203938417 1027731865 /nfs/dbraw/zinc/73/18/65/1027731865.db2.gz CTNZILNATWSYMW-ISKFKSNPSA-N 2 0 385.596 3.713 20 10 GHCDRP CCN(CC)c1ccc(C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COC)C2)cc1 ZINC001203940442 1027735664 /nfs/dbraw/zinc/73/56/64/1027735664.db2.gz ZCYYRJAKEDLOAU-UPVQGACJSA-N 2 0 385.596 3.713 20 10 GHCDRP Cc1cc(C)c(C[NH+]2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c(O)c1 ZINC001231846000 1034939643 /nfs/dbraw/zinc/93/96/43/1034939643.db2.gz XCXKCAXQVPNJEV-UHFFFAOYSA-N 2 0 395.547 3.519 20 10 GHCDRP Cc1cc(C)c(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)c(O)c1 ZINC001231845082 1034939844 /nfs/dbraw/zinc/93/98/44/1034939844.db2.gz UHZYEHPRDJPLPT-URVUXULASA-N 2 0 382.552 3.579 20 10 GHCDRP C[N@@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3cc(C(C)(C)C)ccc3O)C2)C1 ZINC001233284984 1039060643 /nfs/dbraw/zinc/06/06/43/1039060643.db2.gz ORMQRIRDAPWEMZ-ZJSXRUAMSA-N 2 0 386.580 3.870 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH+]3CCC4(CNc5ccccc54)CC3)c(F)c2)CC1 ZINC001235142327 1040635882 /nfs/dbraw/zinc/63/58/82/1040635882.db2.gz DDINQDDTWSQNEK-UHFFFAOYSA-N 2 0 394.538 3.537 20 10 GHCDRP COc1cc(O)c(C[N@@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)cc1Br ZINC001235156374 1040649266 /nfs/dbraw/zinc/64/92/66/1040649266.db2.gz GMCUDGWZDZXDIJ-MRXNPFEDSA-N 2 0 383.330 3.517 20 10 GHCDRP CCOC(=O)c1c(C[N@@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c2ccccc2n1C ZINC001235162871 1040655698 /nfs/dbraw/zinc/65/56/98/1040655698.db2.gz XOGJGVKENZSGRU-HXUWFJFHSA-N 2 0 383.536 3.709 20 10 GHCDRP COc1cc(Br)cc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)c1O ZINC001235232256 1040713139 /nfs/dbraw/zinc/71/31/39/1040713139.db2.gz WYQCKNQYNNNQES-INIZCTEOSA-N 2 0 383.330 3.517 20 10 GHCDRP CCN(CC)c1ccc(C[N@@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)c(O)c1 ZINC001235366651 1040860249 /nfs/dbraw/zinc/86/02/49/1040860249.db2.gz DWWYPLDDKMUAQQ-RDGATRHJSA-N 2 0 393.575 3.992 20 10 GHCDRP CC1(C)OC2(CC[NH+](Cc3cc4c(cc3O)OCC[NH2+]C4)CC2)c2ccccc21 ZINC001235949108 1041453602 /nfs/dbraw/zinc/45/36/02/1041453602.db2.gz XVRBOWWDBOPDLM-UHFFFAOYSA-N 2 0 394.515 3.631 20 10 GHCDRP COC(=O)c1c(C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)c2ccccc2n1C ZINC001236374203 1041686287 /nfs/dbraw/zinc/68/62/87/1041686287.db2.gz CDDFSLBEMJSESV-QGZVFWFLSA-N 2 0 383.536 3.709 20 10 GHCDRP CC(C)C[N@H+](Cc1ccc(N2CCOCC2)c(Cl)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236553060 1041759922 /nfs/dbraw/zinc/75/99/22/1041759922.db2.gz WJSFLAKREKBCSQ-WGSAOQKQSA-N 2 0 379.976 3.905 20 10 GHCDRP COc1cc(O)c(C[N@H+](Cc2ccccc2C)[C@H]2CC[C@H]([NH3+])CC2)cc1OC ZINC001236561087 1041763053 /nfs/dbraw/zinc/76/30/53/1041763053.db2.gz LXVMKBAHHZVGND-MXVIHJGJSA-N 2 0 384.520 3.990 20 10 GHCDRP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccc(F)cc2)Cc2ccc(N3CC[NH2+]CC3)cc2)CC1 ZINC001236742012 1041868457 /nfs/dbraw/zinc/86/84/57/1041868457.db2.gz LHXSLMLTNZUQDU-HCGLCNNCSA-N 3 0 396.554 3.507 20 10 GHCDRP COc1cc(O)c(C[N@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC001236751453 1041871647 /nfs/dbraw/zinc/87/16/47/1041871647.db2.gz DWPIKMKODISYSY-UHFFFAOYSA-N 2 0 384.520 3.753 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[N@H+](CC(C)(C)C)[C@H]3CC[C@H]([NH3+])CC3)cc2)CC1 ZINC001236768100 1041879817 /nfs/dbraw/zinc/87/98/17/1041879817.db2.gz RDRRPBHSRNUKFF-AFARHQOCSA-N 3 0 386.628 3.947 20 10 GHCDRP Clc1cc(C[NH+]2CCC(CC3CC[NH2+]CC3)CC2)ccc1N1CCOCC1 ZINC001236961434 1041970718 /nfs/dbraw/zinc/97/07/18/1041970718.db2.gz HBSRIWCVJYACMB-UHFFFAOYSA-N 2 0 391.987 3.778 20 10 GHCDRP COc1cc(O)c(C[N@H+](C)CC2CC[NH+](C(C)C)CC2)c(Br)c1 ZINC001237060511 1042015280 /nfs/dbraw/zinc/01/52/80/1042015280.db2.gz SRBHMTZBQPRZJF-UHFFFAOYSA-N 2 0 385.346 3.716 20 10 GHCDRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](c1ccccc1O)[C@H](N)c1ccccc1O ZINC001258903552 1044858691 /nfs/dbraw/zinc/85/86/91/1044858691.db2.gz UABAIZCCGQPISG-NLSFWIRASA-N 2 0 385.552 3.939 20 10 GHCDRP COc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)c1O ZINC000848524354 1057148338 /nfs/dbraw/zinc/14/83/38/1057148338.db2.gz ICESMAIDKWROAB-UONOGXRCSA-N 2 0 385.346 3.934 20 10 GHCDRP [NH2+]=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)Nc1cc(F)ccc1F ZINC000849081554 1057585282 /nfs/dbraw/zinc/58/52/82/1057585282.db2.gz DJJOAHFYRUEODY-UHFFFAOYSA-N 2 0 399.489 3.633 20 10 GHCDRP CC[NH+](CC)Cc1cc(OC)ccc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001167436923 840342514 /nfs/dbraw/zinc/34/25/14/840342514.db2.gz HGIIDHRQOCNVNH-UHFFFAOYSA-N 2 0 396.579 3.901 20 10 GHCDRP C[NH+](C)Cc1ccc(C(=O)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)cc1 ZINC000161054665 842465871 /nfs/dbraw/zinc/46/58/71/842465871.db2.gz WGQNRIDKUQBVEQ-UHFFFAOYSA-N 2 0 392.547 3.533 20 10 GHCDRP Oc1cc2c(cc1C[NH+]1CCC(C[NH+]3CCOCC3)CC1)oc1ccccc12 ZINC000726962206 854312510 /nfs/dbraw/zinc/31/25/10/854312510.db2.gz SNRSDSJYDLZKGR-UHFFFAOYSA-N 2 0 380.488 3.836 20 10 GHCDRP CN(C)c1ccc(C[NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)cc1F ZINC000733324753 862866194 /nfs/dbraw/zinc/86/61/94/862866194.db2.gz AWABLTLOTOEERH-UHFFFAOYSA-N 2 0 384.543 3.584 20 10 GHCDRP CCc1cccc(C[N@@H+]2CC[C@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)c1O ZINC000856557800 881406576 /nfs/dbraw/zinc/40/65/76/881406576.db2.gz BYOBWTGXELAEAL-QFIPXVFZSA-N 2 0 383.536 3.843 20 10 GHCDRP CCOCc1cc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)ccc1OC ZINC000904471440 860464664 /nfs/dbraw/zinc/46/46/64/860464664.db2.gz BCKUSUYOBVBNCM-NZQKXSOJSA-N 2 0 382.504 3.577 20 10 GHCDRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775664746 872488842 /nfs/dbraw/zinc/48/88/42/872488842.db2.gz PJYULYDVNFDGDI-GMAHTHKFSA-N 2 0 384.612 3.525 20 10 GHCDRP CN(c1ccccc1)C1CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000775665597 872518059 /nfs/dbraw/zinc/51/80/59/872518059.db2.gz VGGJDBFLLLSNSE-UHFFFAOYSA-N 2 0 378.564 3.539 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[N@H+](Cc3ccco3)Cc3ccc(O)cc3)cc2)CC1 ZINC000775679065 872810349 /nfs/dbraw/zinc/81/03/49/872810349.db2.gz LVXYAUXNTNJBQS-UHFFFAOYSA-N 2 0 391.515 3.939 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(C[NH+]4CCCCC4)cc3)cc2)CC1 ZINC001199021488 874749361 /nfs/dbraw/zinc/74/93/61/874749361.db2.gz JNZPPSRQWIVESB-UHFFFAOYSA-N 3 0 392.591 3.714 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H](O)c3ccc(Cl)c(Cl)c3)cc2)CC1 ZINC000850399389 876879854 /nfs/dbraw/zinc/87/98/54/876879854.db2.gz KTEPPHQMQLQNDR-HXUWFJFHSA-N 2 0 394.346 3.568 20 10 GHCDRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850566381 877033461 /nfs/dbraw/zinc/03/34/61/877033461.db2.gz NAXMBOBLOKCZIK-CJFMBICVSA-N 2 0 393.575 3.648 20 10 GHCDRP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876901960 893380060 /nfs/dbraw/zinc/38/00/60/893380060.db2.gz JCFXMHASDKYFLW-UHFFFAOYSA-N 2 0 381.564 3.779 20 10 GHCDRP Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@H](Nc2cc[nH+]cc2C(F)(F)F)C1 ZINC001185271530 913769917 /nfs/dbraw/zinc/76/99/17/913769917.db2.gz ABUGHFPXMYBAKR-AWEZNQCLSA-N 2 0 385.817 3.958 20 10 GHCDRP CC(C)[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1ccc2[nH]c(=O)oc2c1 ZINC000883290483 897455766 /nfs/dbraw/zinc/45/57/66/897455766.db2.gz WHLHGUCVKMEBIB-QFIPXVFZSA-N 2 0 394.519 3.772 20 10 GHCDRP Oc1cc(Br)ccc1C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000825406549 900151220 /nfs/dbraw/zinc/15/12/20/900151220.db2.gz WEICODSVBUJQTQ-UHFFFAOYSA-N 2 0 376.298 3.556 20 10 GHCDRP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1ccc2c(c1)OCO2 ZINC000773148408 904486467 /nfs/dbraw/zinc/48/64/67/904486467.db2.gz WWFPHMJJXOUAHV-SFHVURJKSA-N 2 0 393.531 3.798 20 10 GHCDRP CC[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1ccc(OC)c(OC)c1 ZINC000796461359 917533338 /nfs/dbraw/zinc/53/33/38/917533338.db2.gz OYPVDDNOHAYTOA-NRFANRHFSA-N 2 0 383.536 3.697 20 10 GHCDRP CC[C@@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1cc(Cl)ccc1O ZINC000775499104 918395835 /nfs/dbraw/zinc/39/58/35/918395835.db2.gz GROJKNPXICAEHT-HXUWFJFHSA-N 2 0 388.943 3.694 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCO[C@H](c4ccc(F)cc4)C3)cc2)CC1 ZINC000757970646 929874731 /nfs/dbraw/zinc/87/47/31/929874731.db2.gz MBUIVVYCZDUJSC-GGAORHGYSA-N 2 0 383.511 3.587 20 10 GHCDRP CC[NH+]1CCN(c2ccc(CN3CCC[N@H+](Cc4ccccc4)CC3)cc2)CC1 ZINC001140304813 1021358449 /nfs/dbraw/zinc/35/84/49/1021358449.db2.gz CQNRCKFDOXLFQV-UHFFFAOYSA-N 2 0 392.591 3.536 20 10 GHCDRP CCCc1noc([C@H]2CCC[N@H+](Cc3ccc(N4CC[NH+](CC)CC4)cc3)C2)n1 ZINC001140305506 1021359424 /nfs/dbraw/zinc/35/94/24/1021359424.db2.gz ACVZAIHAYNYRGE-FQEVSTJZSA-N 2 0 397.567 3.544 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@H](Oc4cc(C)ccn4)C3)cc2)CC1 ZINC001140309591 1021370610 /nfs/dbraw/zinc/37/06/10/1021370610.db2.gz MYCPVUZQZRNEMQ-HSZRJFAPSA-N 2 0 394.563 3.575 20 10 GHCDRP CN(C)c1ccc(/C=C/C[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)cc1 ZINC000835043142 1021802562 /nfs/dbraw/zinc/80/25/62/1021802562.db2.gz NIPOWPSYRCASEV-AATRIKPKSA-N 2 0 379.548 3.512 20 10 GHCDRP Cc1c(O)ccc(C[NH+]2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1O ZINC001140744811 1022411312 /nfs/dbraw/zinc/41/13/12/1022411312.db2.gz MLMJNEIOLDDOHQ-NRFANRHFSA-N 2 0 396.531 3.662 20 10 GHCDRP COc1cc(C[N@@H+]2CCC[C@@H](Oc3ccccc3C)C2)cc(C[NH+](C)C)c1O ZINC001139257112 1026106162 /nfs/dbraw/zinc/10/61/62/1026106162.db2.gz RRWTUDKXJGVAQZ-HXUWFJFHSA-N 2 0 384.520 3.814 20 10 GHCDRP COc1cccc([C@@H]2CCC[N@H+](Cc3cc(C[NH+](C)C)c(O)c(OC)c3)C2)c1 ZINC001139261101 1026112090 /nfs/dbraw/zinc/11/20/90/1026112090.db2.gz UPDFKAYSJNGGQB-LJQANCHMSA-N 2 0 384.520 3.851 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH+]3CCC(Sc4ccncc4)CC3)cc2)CC1 ZINC001139412889 1026285090 /nfs/dbraw/zinc/28/50/90/1026285090.db2.gz QZEMPDUCYDUGFM-UHFFFAOYSA-N 2 0 382.577 3.590 20 10 GHCDRP C[NH+]1CCN(c2ccc(CNC[C@@H]3CCC[N@@H+]3CC3CCCCC3)cc2)CC1 ZINC001461153914 1069415877 /nfs/dbraw/zinc/41/58/77/1069415877.db2.gz SXRWSIABAWXUKE-DEOSSOPVSA-N 2 0 384.612 3.573 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CN(Cc4ccccc4)C(C)(C)C3)cc2)CC1 ZINC001203491404 1027379452 /nfs/dbraw/zinc/37/94/52/1027379452.db2.gz KEIWAGGVBXZYSD-HSZRJFAPSA-N 2 0 392.591 3.581 20 10 GHCDRP COc1cccc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2cccc(OC)c2O)CC3)c1 ZINC001203594440 1027459546 /nfs/dbraw/zinc/45/95/46/1027459546.db2.gz ZFWUJQNEPSXWQA-UHFFFAOYSA-N 2 0 396.531 3.898 20 10 GHCDRP Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)c(O)c1C ZINC000840889718 1027924298 /nfs/dbraw/zinc/92/42/98/1027924298.db2.gz VITUQUUBOFDYHJ-GOSISDBHSA-N 2 0 395.547 3.557 20 10 GHCDRP COc1cc(Br)cc(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)c1O ZINC000841086392 1028110355 /nfs/dbraw/zinc/11/03/55/1028110355.db2.gz HWPQFKASZNARIB-INIZCTEOSA-N 2 0 379.298 3.733 20 10 GHCDRP Oc1cc(Br)ccc1C[NH2+][C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246343238 1037304225 /nfs/dbraw/zinc/30/42/25/1037304225.db2.gz KDEVLHQOKNQCPN-ROUUACIJSA-N 2 0 375.310 3.608 20 10 GHCDRP CC[NH+]1CCN(c2ccc(-c3nc4ccccc4n3C3CC[NH2+]CC3)cc2)CC1 ZINC001247021924 1037842660 /nfs/dbraw/zinc/84/26/60/1037842660.db2.gz HZWYQTNXHCLYDW-UHFFFAOYSA-N 2 0 389.547 3.770 20 10 GHCDRP COc1cc(O)c(C[N@H+](C)CC2CC[NH+](C(C)C)CC2)cc1Br ZINC001233138891 1038917861 /nfs/dbraw/zinc/91/78/61/1038917861.db2.gz DQNUIXJKDPMLIF-UHFFFAOYSA-N 2 0 385.346 3.716 20 10 GHCDRP CC(C)(C)c1cc(O)c(CN2C[C@@H]3C[NH2+]C[C@]3(C(F)(F)F)C2)cc1Cl ZINC001235231296 1040711764 /nfs/dbraw/zinc/71/17/64/1040711764.db2.gz FABQPTYOYCBEBL-SJCJKPOMSA-N 2 0 376.850 3.927 20 10 GHCDRP c1ccc([C@@H]2COC3(C2)CC[NH+](Cc2ccc(N4CC[NH2+]CC4)cc2)CC3)cc1 ZINC001235573652 1040994863 /nfs/dbraw/zinc/99/48/63/1040994863.db2.gz DJCJJSTULFDXND-QHCPKHFHSA-N 2 0 391.559 3.635 20 10 GHCDRP COc1cccc([C@@H]2CCCC[N@@H+]2Cc2ccc(N3CC[NH2+]CC3)cc2O)c1 ZINC001235726881 1041212403 /nfs/dbraw/zinc/21/24/03/1041212403.db2.gz QWWLNSQJLKNZJJ-QFIPXVFZSA-N 2 0 381.520 3.538 20 10 GHCDRP COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)c1O ZINC000848524347 1057148374 /nfs/dbraw/zinc/14/83/74/1057148374.db2.gz ICESMAIDKWROAB-KBPBESRZSA-N 2 0 385.346 3.934 20 10 GHCDRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H](C)c3ccc(N(C)C)cc3)cc2)CC1 ZINC000160311357 838169838 /nfs/dbraw/zinc/16/98/38/838169838.db2.gz UGQALLQGMDOSHE-FQEVSTJZSA-N 2 0 380.580 3.741 20 10 GHCDRP CCOc1cccc(C[N@@H+]2CC[C@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)c1O ZINC000856560428 881440252 /nfs/dbraw/zinc/44/02/52/881440252.db2.gz LWWPOIGNDVEIOW-NRFANRHFSA-N 2 0 399.535 3.679 20 10 GHCDRP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CC1 ZINC000765996343 860476029 /nfs/dbraw/zinc/47/60/29/860476029.db2.gz ZBYIQUPXHYLRGK-IBGZPJMESA-N 2 0 379.976 3.863 20 10 GHCDRP CCc1cc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c(O)c(C(C)(C)C)c1 ZINC000738168868 865500780 /nfs/dbraw/zinc/50/07/80/865500780.db2.gz BPINOPIZMOPGJR-NRFANRHFSA-N 2 0 387.612 3.854 20 10 GHCDRP Oc1ccc(-c2ccccc2)cc1C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000767927455 872939231 /nfs/dbraw/zinc/93/92/31/872939231.db2.gz UPJHGNNZUBMAGK-VWNXMTODSA-N 2 0 380.532 3.917 20 10 GHCDRP Cc1cccc(C2(O)CC[NH+](Cc3ccc(N4CC[NH+](C)CC4)cc3)CC2)c1C ZINC000775721302 873142612 /nfs/dbraw/zinc/14/26/12/873142612.db2.gz VWJQEVXGVHESCB-UHFFFAOYSA-N 2 0 393.575 3.539 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@H]3C[C@@H](O)c3cccs3)cc2)CC1 ZINC000775736868 873289047 /nfs/dbraw/zinc/28/90/47/873289047.db2.gz YOPOLBCTLHHCLY-NHCUHLMSSA-N 2 0 385.577 3.588 20 10 GHCDRP COCc1cccc(C[NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)c1 ZINC000768668780 873493796 /nfs/dbraw/zinc/49/37/96/873493796.db2.gz AWHYABBSADOYSC-UHFFFAOYSA-N 2 0 379.548 3.655 20 10 GHCDRP Oc1ccc(-c2ccccc2)cc1C[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000850357775 876848645 /nfs/dbraw/zinc/84/86/45/876848645.db2.gz VEZLUCQFQAIDLR-DEOSSOPVSA-N 2 0 388.511 3.916 20 10 GHCDRP C[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000850582296 877055559 /nfs/dbraw/zinc/05/55/59/877055559.db2.gz DCCZVEXFJFSUOK-KRWDZBQOSA-N 2 0 391.987 3.949 20 10 GHCDRP COc1ccc([C@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)c(C)c1OC ZINC000808431592 886379888 /nfs/dbraw/zinc/37/98/88/886379888.db2.gz JGDHMPLCSPQJKE-SFHVURJKSA-N 2 0 383.536 3.615 20 10 GHCDRP CC[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(C(F)(F)F)cc1O ZINC000810219070 888294113 /nfs/dbraw/zinc/29/41/13/888294113.db2.gz ZMJOFACKZWATTE-MAUKXSAKSA-N 2 0 385.474 3.620 20 10 GHCDRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877145330 893507759 /nfs/dbraw/zinc/50/77/59/893507759.db2.gz FTXSMKXBWCDMOG-UHFFFAOYSA-N 2 0 381.564 3.778 20 10 GHCDRP CC[NH+]1CCN(CCC[NH2+][C@@H](CCc2ccccc2)c2ccccc2O)CC1 ZINC000815558786 893998222 /nfs/dbraw/zinc/99/82/22/893998222.db2.gz NVVGZAXUSXXRAA-QHCPKHFHSA-N 2 0 381.564 3.683 20 10 GHCDRP Oc1ccc(F)cc1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000816643610 894987037 /nfs/dbraw/zinc/98/70/37/894987037.db2.gz KMHCNONUJPYLKM-HXUWFJFHSA-N 2 0 384.495 3.550 20 10 GHCDRP C[C@H]1C[C@@H]([NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)c2c1c(F)ccc2O ZINC000817984769 895992659 /nfs/dbraw/zinc/99/26/59/895992659.db2.gz ZMRUMZHMGGEPGE-QFBILLFUSA-N 2 0 383.511 3.663 20 10 GHCDRP CC(C)[C@H](C[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1)N1CC[NH+](C)CC1 ZINC000132516543 897813458 /nfs/dbraw/zinc/81/34/58/897813458.db2.gz OQQRPQKUQUQMQJ-URXFXBBRSA-N 2 0 386.628 3.990 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3ccc([N+](=O)[O-])cc3)cc2F)CC1 ZINC000155304519 898590556 /nfs/dbraw/zinc/59/05/56/898590556.db2.gz YZPXCEJNAQNMJQ-INIZCTEOSA-N 2 0 386.471 3.727 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3ccc4c(c3)OCO4)cc2F)CC1 ZINC000155316986 898607945 /nfs/dbraw/zinc/60/79/45/898607945.db2.gz CWDITURPRJYRPW-INIZCTEOSA-N 2 0 385.483 3.547 20 10 GHCDRP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@@H](C)c2cc(OC)ccc2O)CC1 ZINC000845972091 902554235 /nfs/dbraw/zinc/55/42/35/902554235.db2.gz IIGUPHOFBSOLER-SFHVURJKSA-N 2 0 383.536 3.784 20 10 GHCDRP COc1cccc([C@@H](C)[NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)c1O ZINC000846147212 902721042 /nfs/dbraw/zinc/72/10/42/902721042.db2.gz UVDVKCAJGMOWDO-CVEARBPZSA-N 2 0 387.499 3.704 20 10 GHCDRP C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)c1cccc(C[NH+](C)C)c1 ZINC000924761060 931527365 /nfs/dbraw/zinc/52/73/65/931527365.db2.gz SZUSDPUQLBZDDJ-KRWDZBQOSA-N 2 0 385.527 3.699 20 10 GHCDRP Oc1ccc(C[NH+]2CCC(OC3CC[NH+](Cc4ccccc4)CC3)CC2)c(O)c1 ZINC001204278081 1032719340 /nfs/dbraw/zinc/71/93/40/1032719340.db2.gz SKBSKZCAKVCFBW-UHFFFAOYSA-N 2 0 396.531 3.743 20 10 GHCDRP Cc1ccc(O)c(C[NH+]2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001140621637 1022094006 /nfs/dbraw/zinc/09/40/06/1022094006.db2.gz NOWSPYCQTXTHIV-JOCHJYFZSA-N 2 0 380.532 3.956 20 10 GHCDRP CN(C)c1ccc(C[NH+]2CCC(COCC[NH+]3CCCC3)CC2)c(Cl)c1 ZINC001140921937 1022888284 /nfs/dbraw/zinc/88/82/84/1022888284.db2.gz WRNHOLNZTJZLHW-UHFFFAOYSA-N 2 0 379.976 3.730 20 10 GHCDRP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1c3ccccc3n(C)c1C)C2 ZINC001138253680 1024474248 /nfs/dbraw/zinc/47/42/48/1024474248.db2.gz BXOSPJRKBZWTBG-RDPSFJRHSA-N 2 0 381.564 3.667 20 10 GHCDRP COc1cc(C[NH+]2CCC3(CC(OCC4CC4)C3)CC2)cc(C[NH+](C)C)c1O ZINC001139255831 1026106500 /nfs/dbraw/zinc/10/65/00/1026106500.db2.gz FNNIGSHCFXTRKC-UHFFFAOYSA-N 2 0 388.552 3.634 20 10 GHCDRP COc1cc(C[N@@H+]2CCC[C@H](OCc3ccccc3)C2)cc(C[NH+](C)C)c1O ZINC001139257753 1026107828 /nfs/dbraw/zinc/10/78/28/1026107828.db2.gz GHNFQLWZLPHBGS-NRFANRHFSA-N 2 0 384.520 3.644 20 10 GHCDRP COC(=O)c1cccc([C@@H]2CCC[N@@H+]2Cc2cc(C[NH+](C)C)c(O)c(OC)c2)c1 ZINC001139261185 1026112153 /nfs/dbraw/zinc/11/21/53/1026112153.db2.gz WKIHXOBINJWDKW-FQEVSTJZSA-N 2 0 398.503 3.586 20 10 GHCDRP COc1ccc(C2=CC[N@H+](Cc3ccc(N4CC[NH+](C)CC4)cc3)CC2)cc1 ZINC001139410850 1026281296 /nfs/dbraw/zinc/28/12/96/1026281296.db2.gz IMPVLHJUKSTMHJ-UHFFFAOYSA-N 2 0 377.532 3.736 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH+]3CCC(n4ncc5ccccc54)CC3)cc2)CC1 ZINC001139413721 1026287326 /nfs/dbraw/zinc/28/73/26/1026287326.db2.gz YRFPMQLKOLPUGO-UHFFFAOYSA-N 2 0 389.547 3.625 20 10 GHCDRP C[C@H]1C[C@@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)c2c1c(F)ccc2O ZINC000840883988 1027920767 /nfs/dbraw/zinc/92/07/67/1027920767.db2.gz IHDRPFCOVZQOIL-QFBILLFUSA-N 2 0 384.495 3.696 20 10 GHCDRP C[C@@H]([NH3+])C1CC[NH+](Cc2ccc(N3CCCCC3)c(Br)c2)CC1 ZINC000843048562 1029786456 /nfs/dbraw/zinc/78/64/56/1029786456.db2.gz HKTASTJICVMEGN-OAHLLOKOSA-N 2 0 380.374 3.999 20 10 GHCDRP CCCCN(CCCC)c1ccc(C[NH+]2CCC3(CC2)C[NH2+]CCO3)c(O)c1 ZINC001222212238 1030009563 /nfs/dbraw/zinc/00/95/63/1030009563.db2.gz YEIQLEZGTOSJBG-UHFFFAOYSA-N 2 0 389.584 3.753 20 10 GHCDRP Cc1cnccc1O[C@@H]1CC[N@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC001233111761 1038903080 /nfs/dbraw/zinc/90/30/80/1038903080.db2.gz WRIDSMDMHKIFIX-MRXNPFEDSA-N 2 0 377.282 3.820 20 10 GHCDRP CN1CCC[C@H]2C[N@H+](Cc3c(O)ccc4cc(Br)ccc43)C[C@H]21 ZINC001233195703 1038961659 /nfs/dbraw/zinc/96/16/59/1038961659.db2.gz ONHPKYQGPKSDJU-KBXCAEBGSA-N 2 0 375.310 3.834 20 10 GHCDRP CC[N@H+]1C[C@@H]2C[NH+](Cc3c(O)ccc4cc(Br)ccc43)C[C@@H]2C1 ZINC001233199162 1038964980 /nfs/dbraw/zinc/96/49/80/1038964980.db2.gz VJRKLBFICFVACK-GASCZTMLSA-N 2 0 375.310 3.691 20 10 GHCDRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cc(C(C)(C)C)ccc1O)C2 ZINC001233284672 1039059617 /nfs/dbraw/zinc/05/96/17/1039059617.db2.gz DCISAJWHGCRGSW-QPPBQGQZSA-N 2 0 386.580 3.870 20 10 GHCDRP Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2[NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC001252950410 1039293221 /nfs/dbraw/zinc/29/32/21/1039293221.db2.gz BDBHJHVCMHRGHM-NOZRDPDXSA-N 2 0 394.559 3.859 20 10 GHCDRP c1ccc([C@H]2C[NH2+]C[C@]23CC[N@@H+](Cc2cc4c5c(c2)CCCN5CCC4)C3)cc1 ZINC001235377540 1040892777 /nfs/dbraw/zinc/89/27/77/1040892777.db2.gz UXZSNJNMJUKVPJ-RSXGOPAZSA-N 2 0 387.571 3.965 20 10 GHCDRP CCC[N@H+](Cc1ccc(N2CC[NH2+]CC2)cc1)[C@@H](C)C(=O)Nc1ccccc1C ZINC001236089920 1041526971 /nfs/dbraw/zinc/52/69/71/1041526971.db2.gz ZHSWGXNVLANOTE-FQEVSTJZSA-N 2 0 394.563 3.644 20 10 GHCDRP CN1CCOc2cc(C[N@H+](Cc3ccccc3F)[C@H]3CC[C@H]([NH3+])CC3)ccc21 ZINC001236536852 1041755710 /nfs/dbraw/zinc/75/57/10/1041755710.db2.gz KGWRRANCWVUHAF-MXVIHJGJSA-N 2 0 383.511 3.926 20 10 GHCDRP CC(C)[NH+]1CCC(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2Cl)CC1 ZINC001236926720 1041961544 /nfs/dbraw/zinc/96/15/44/1041961544.db2.gz JQWPZVYKTZHHOF-UHFFFAOYSA-N 2 0 379.976 3.729 20 10 GHCDRP c1ccc(COc2ccc(N3CC[NH+](CCC4CC[NH2+]CC4)CC3)cc2)cc1 ZINC001237248589 1042107193 /nfs/dbraw/zinc/10/71/93/1042107193.db2.gz MJQJWUJCBBCYPA-UHFFFAOYSA-N 2 0 379.548 3.777 20 10 GHCDRP Cc1cccc(O)c1C[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCC2CC2)C1 ZINC001237485654 1042228592 /nfs/dbraw/zinc/22/85/92/1042228592.db2.gz JIDLPEHUIIMHPO-URXFXBBRSA-N 2 0 384.564 3.661 20 10 GHCDRP Cc1cccc(O)c1C[N@@H+]1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001237488768 1042231260 /nfs/dbraw/zinc/23/12/60/1042231260.db2.gz PEAXDAFUJLUJJS-OAQYLSRUSA-N 2 0 387.474 3.829 20 10 GHCDRP COc1cc(C[N@@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)c(O)c(OC)c1 ZINC001237682315 1042322835 /nfs/dbraw/zinc/32/28/35/1042322835.db2.gz XZNVPZVGYALUKU-BJJLKGPWSA-N 2 0 398.547 3.804 20 10 GHCDRP Oc1ccc2ccc(O)c(C[N@@H+]3CC[C@@H](CF)C3)c2c1C[NH+]1CC[C@H](CF)C1 ZINC001262053109 1046170051 /nfs/dbraw/zinc/17/00/51/1046170051.db2.gz PUROEUQPDZBGNZ-IYBDPMFKSA-N 2 0 390.474 3.834 20 10 GHCDRP Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC001473996391 1074229777 /nfs/dbraw/zinc/22/97/77/1074229777.db2.gz UINMMJNDFWTHHC-UHFFFAOYSA-N 2 0 391.462 3.734 20 10 GHCDRP COc1ccc(O)c([C@H](C)[NH2+]C/C=C\C[NH2+][C@@H](C)c2cc(OC)ccc2O)c1 ZINC000588382544 839830381 /nfs/dbraw/zinc/83/03/81/839830381.db2.gz GTOXGDHWTMUTLG-XFCCUVRLSA-N 2 0 386.492 3.673 20 10 GHCDRP C[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccc(N2CCCCC2)cc1 ZINC000158426009 846948438 /nfs/dbraw/zinc/94/84/38/846948438.db2.gz GPSQDEUCFCQONN-FQEVSTJZSA-N 2 0 393.579 3.675 20 10 GHCDRP C[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000765948349 856779897 /nfs/dbraw/zinc/77/98/97/856779897.db2.gz ZGFKNXRQGNNCPV-QUCCMNQESA-N 2 0 388.575 3.635 20 10 GHCDRP COC(=O)c1cc2ccccc2c(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1O ZINC000738273196 865512529 /nfs/dbraw/zinc/51/25/29/865512529.db2.gz XUMXYRJARAVBIT-GOSISDBHSA-N 2 0 382.504 3.782 20 10 GHCDRP COc1ccc(N2CCC([NH2+]C[C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000793206238 882031924 /nfs/dbraw/zinc/03/19/24/882031924.db2.gz DDOUKMNRJZUQPM-OAQYLSRUSA-N 2 0 379.548 3.776 20 10 GHCDRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]Cc2cc(Cl)ccc2O)CC1 ZINC000742391276 867256476 /nfs/dbraw/zinc/25/64/76/867256476.db2.gz FYJOVNSIGMFSFF-UHFFFAOYSA-N 2 0 380.319 3.741 20 10 GHCDRP Cn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775657687 872425156 /nfs/dbraw/zinc/42/51/56/872425156.db2.gz GOMNJDREHNIGPT-QHCPKHFHSA-N 2 0 389.547 3.662 20 10 GHCDRP C[N@H+](CC1CC1)C[C@@H]1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000769517138 874123702 /nfs/dbraw/zinc/12/37/02/874123702.db2.gz ZGOHQAKRIVZIFL-FQEVSTJZSA-N 2 0 386.540 3.749 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3ccccc3N(C)C)cc2F)CC1 ZINC000769685497 874205934 /nfs/dbraw/zinc/20/59/34/874205934.db2.gz BUSRSAMVBPWIBN-SFHVURJKSA-N 2 0 384.543 3.884 20 10 GHCDRP COc1cc(Br)cc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)c1O ZINC000809738670 887772034 /nfs/dbraw/zinc/77/20/34/887772034.db2.gz DNKXZPWZBJLCJX-UHFFFAOYSA-N 2 0 393.325 3.857 20 10 GHCDRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000876981416 893419791 /nfs/dbraw/zinc/41/97/91/893419791.db2.gz PKSFVQAKMOQEDN-UHFFFAOYSA-N 2 0 381.564 3.778 20 10 GHCDRP CSc1ccc([C@H](C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)N(C)C)cc1 ZINC000815166250 893503280 /nfs/dbraw/zinc/50/32/80/893503280.db2.gz DZTDBFINPRKUGJ-QHCPKHFHSA-N 2 0 398.620 3.553 20 10 GHCDRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](CCc2ccccc2)c2ccccc2O)CC1 ZINC000815559858 893998334 /nfs/dbraw/zinc/99/83/34/893998334.db2.gz RMBHEAHMUCDPBO-REWPJTCUSA-N 2 0 381.564 3.682 20 10 GHCDRP CN(C)c1ccc([C@@H](N)C[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)cc1 ZINC000817941764 895970516 /nfs/dbraw/zinc/97/05/16/895970516.db2.gz KTPOFCXWNQFKEN-HQNXYIODSA-N 2 0 380.580 3.785 20 10 GHCDRP CC[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccc(C(F)(F)F)cc1O ZINC000817983981 895994040 /nfs/dbraw/zinc/99/40/40/895994040.db2.gz SYQSBIRRIWDZNT-LEOMRAHMSA-N 2 0 385.474 3.668 20 10 GHCDRP COc1cc(C)c([C@@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)cc1OC ZINC000883289766 897454346 /nfs/dbraw/zinc/45/43/46/897454346.db2.gz ZQMDSRSHCIFRLD-GOSISDBHSA-N 2 0 383.536 3.615 20 10 GHCDRP CN(Cc1cccs1)c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1 ZINC000823997222 899347926 /nfs/dbraw/zinc/34/79/26/899347926.db2.gz XMCKXOKDAVYHEX-GOTSBHOMSA-N 2 0 399.604 3.852 20 10 GHCDRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ccc3c(c2)CCN3Cc2ccccc2)CC1 ZINC000796326438 914653523 /nfs/dbraw/zinc/65/35/23/914653523.db2.gz ZGMRYZUHYWPVEB-UHFFFAOYSA-N 2 0 393.575 3.574 20 10 GHCDRP C[NH+]1CCN(c2ccc(C(F)(F)F)cc2C[NH2+]Cc2cc(F)ccc2O)CC1 ZINC000779084084 904023730 /nfs/dbraw/zinc/02/37/30/904023730.db2.gz FDYBMJLDDSEDGH-UHFFFAOYSA-N 2 0 397.416 3.592 20 10 GHCDRP Cc1cc(C)c([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)c(O)c1 ZINC000293679620 916325446 /nfs/dbraw/zinc/32/54/46/916325446.db2.gz KHQKBLGRDMWQLF-RXVVDRJESA-N 2 0 395.547 3.557 20 10 GHCDRP Cc1ccc(Br)cc1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000783995177 931745231 /nfs/dbraw/zinc/74/52/31/931745231.db2.gz SJXMLQUCISWECE-UHFFFAOYSA-N 2 0 388.353 3.799 20 10 GHCDRP C[C@@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000927037208 932385747 /nfs/dbraw/zinc/38/57/47/932385747.db2.gz ICEQKTUWBBQOFM-BWDFOLQRSA-N 2 0 375.532 3.720 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@@H]([C@@H]4CCOC4)C3)cc2F)CC1 ZINC000798493827 932670731 /nfs/dbraw/zinc/67/07/31/932670731.db2.gz UETZRVMZZKFTED-NJDAHSKKSA-N 2 0 389.559 3.653 20 10 GHCDRP COCC[N@H+](C)CCOc1cccc(C[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3C)c1 ZINC001116565087 933637198 /nfs/dbraw/zinc/63/71/98/933637198.db2.gz HKBPXRHNTWSSLY-RXVVDRJESA-N 2 0 398.547 3.996 20 10 GHCDRP CN(C)c1ccc(C[N@H+]2C[C@H]3CN(Cc4ccccn4)C[C@H]3C2)c2ccccc21 ZINC001204238365 1032682914 /nfs/dbraw/zinc/68/29/14/1032682914.db2.gz PTNWMSHWQZWVSA-OYRHEFFESA-N 2 0 386.543 3.865 20 10 GHCDRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]Cc2ccc(N4CCOCC4)cc2)C3)cc1 ZINC000779438035 1020788370 /nfs/dbraw/zinc/78/83/70/1020788370.db2.gz CHZUCCBWYLIBJJ-RHHYMUMYSA-N 2 0 391.559 3.808 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH+]3CCC(OC)(c4ccccc4)CC3)cc2)CC1 ZINC001140306428 1021363595 /nfs/dbraw/zinc/36/35/95/1021363595.db2.gz RRKBMORCEOBWSP-UHFFFAOYSA-N 2 0 393.575 3.966 20 10 GHCDRP CCN(CC)c1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c(O)c1 ZINC001140854884 1022708990 /nfs/dbraw/zinc/70/89/90/1022708990.db2.gz GCIPVHSAAZBKAY-SZPZYZBQSA-N 2 0 379.548 3.802 20 10 GHCDRP COc1cc(O)c(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c(OC)c1 ZINC001141032997 1023301351 /nfs/dbraw/zinc/30/13/51/1023301351.db2.gz WKYYOIXPWQUEIT-WOJBJXKFSA-N 2 0 396.531 3.753 20 10 GHCDRP Cc1cc(C[NH+]2CCC3(C[C@H]([N@H+](C)Cc4ccco4)CO3)CC2)ccc1N(C)C ZINC001139671160 1026526357 /nfs/dbraw/zinc/52/63/57/1026526357.db2.gz SWQDRHWRRSZYRM-NRFANRHFSA-N 2 0 397.563 3.910 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3cc4ccccc4n3C)cc2F)CC1 ZINC001461157788 1069417681 /nfs/dbraw/zinc/41/76/81/1069417681.db2.gz YBCPUVIJCMHRHG-UHFFFAOYSA-N 2 0 380.511 3.749 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+]C[C@H]3CCOc4ccccc43)cc2F)CC1 ZINC001461157859 1069417905 /nfs/dbraw/zinc/41/79/05/1069417905.db2.gz YYKNGQXHBVOGAM-LJQANCHMSA-N 2 0 383.511 3.624 20 10 GHCDRP CC(C)(C)c1cc(C[N@@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)c(O)c(C(C)(C)C)c1 ZINC000841099679 1028134400 /nfs/dbraw/zinc/13/44/00/1028134400.db2.gz NJWBJMGUTUKCGP-LJQANCHMSA-N 2 0 399.583 3.875 20 10 GHCDRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3ccc(OCc4ccccc4)cc3O)CC2)C1 ZINC000841103774 1028140746 /nfs/dbraw/zinc/14/07/46/1028140746.db2.gz JRRFHWLHABSPEO-QPPBQGQZSA-N 2 0 396.531 3.690 20 10 GHCDRP Cc1c2ccccc2n(C)c1C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC001461382253 1069526393 /nfs/dbraw/zinc/52/63/93/1069526393.db2.gz SPBHBYKKNRHRJA-NRFANRHFSA-N 2 0 377.532 3.733 20 10 GHCDRP [NH3+]C[C@@]1(F)CCCC[N@H+](Cc2c(O)ccc3cc(Br)ccc32)C1 ZINC001206369742 1033817475 /nfs/dbraw/zinc/81/74/75/1033817475.db2.gz HPTKUWWWBOQOKA-SFHVURJKSA-N 2 0 381.289 3.961 20 10 GHCDRP Oc1cc(C(F)(F)F)ccc1C[NH+]1CCC(COCC[NH+]2CCCC2)CC1 ZINC001233452189 1039333307 /nfs/dbraw/zinc/33/33/07/1039333307.db2.gz NFESNERLCJPQBO-UHFFFAOYSA-N 2 0 386.458 3.735 20 10 GHCDRP Oc1ccc2cc(Br)ccc2c1C[N@@H+]1CC[C@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235405645 1040917761 /nfs/dbraw/zinc/91/77/61/1040917761.db2.gz OKISUEHXBOFIPC-RBUKOAKNSA-N 2 0 393.300 3.831 20 10 GHCDRP c1ccc([C@H]2CO[C@]3(C2)CCC[N@@H+](Cc2ccc(N4CC[NH2+]CC4)cc2)C3)cc1 ZINC001235532818 1040978126 /nfs/dbraw/zinc/97/81/26/1040978126.db2.gz OVTQSQGWWKIURR-NOZRDPDXSA-N 2 0 391.559 3.635 20 10 GHCDRP COc1ccc(C[C@@H]2CCC[N@H+](Cc3ccc(N4CC[NH2+]CC4)cc3)C2)cc1 ZINC001236093686 1041530577 /nfs/dbraw/zinc/53/05/77/1041530577.db2.gz XAWJMPWVAWOKBD-QFIPXVFZSA-N 2 0 379.548 3.560 20 10 GHCDRP COC(=O)c1c(C[N@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)c2ccccc2n1C ZINC001236374201 1041686098 /nfs/dbraw/zinc/68/60/98/1041686098.db2.gz CDDFSLBEMJSESV-KRWDZBQOSA-N 2 0 383.536 3.709 20 10 GHCDRP COc1cc(O)c(C[N@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)c(Br)c1 ZINC001236576598 1041767386 /nfs/dbraw/zinc/76/73/86/1041767386.db2.gz OLRLTWRUTWSXHQ-MQMHXKEQSA-N 2 0 383.330 3.788 20 10 GHCDRP COc1ccccc1[C@@H]1CCC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236939518 1041965559 /nfs/dbraw/zinc/96/55/59/1041965559.db2.gz RUPAGUZNQFOEOH-QFIPXVFZSA-N 2 0 383.511 3.923 20 10 GHCDRP COc1cccc([C@H]2CCC[N@@H+]2Cc2ccc(N3CC[NH+](C)CC3)cc2F)c1 ZINC001236943073 1041966236 /nfs/dbraw/zinc/96/62/36/1041966236.db2.gz PQHATDVPYUUOTP-HSZRJFAPSA-N 2 0 383.511 3.923 20 10 GHCDRP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(Cl)c(C(C)(C)C)cc1O ZINC001279940628 1047994623 /nfs/dbraw/zinc/99/46/23/1047994623.db2.gz KDJAMZSIZLWHKH-CALCHBBNSA-N 2 0 379.976 3.553 20 10 GHCDRP Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]Cc1cccc(CN2CC[NH+](C)CC2)c1 ZINC001337785721 1058262972 /nfs/dbraw/zinc/26/29/72/1058262972.db2.gz QSLSVQAJFKVORK-NQIIRXRSSA-N 2 0 379.548 3.786 20 10 GHCDRP C[NH+]1CCN(c2ccc(CNc3ccc([C@H]4CCCC[N@@H+]4C)cn3)cc2)CC1 ZINC001167431307 840048325 /nfs/dbraw/zinc/04/83/25/840048325.db2.gz RRDVLXGPTWMLQL-JOCHJYFZSA-N 2 0 379.552 3.602 20 10 GHCDRP C[C@H]([NH2+]C1CCN(CCc2ccccc2)CC1)c1ccc(N2CCOCC2)cc1 ZINC000764897151 859665251 /nfs/dbraw/zinc/66/52/51/859665251.db2.gz GAFZBPANCUAPFL-NRFANRHFSA-N 2 0 393.575 3.881 20 10 GHCDRP CC(C)[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3c(O)cccc3Cl)C2)ccn1 ZINC000856560902 881458152 /nfs/dbraw/zinc/45/81/52/881458152.db2.gz PXRNFGNFZHLOAZ-GOSISDBHSA-N 2 0 389.927 3.934 20 10 GHCDRP C[C@@H]([NH2+]Cc1ccccc1CN1CCOCC1)c1cc2c(cc1O)CCCC2 ZINC000184894351 865021093 /nfs/dbraw/zinc/02/10/93/865021093.db2.gz PNBQGPKUZIMPLF-GOSISDBHSA-N 2 0 380.532 3.954 20 10 GHCDRP COC(=O)c1cc2ccccc2c(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c1O ZINC000738089127 865483931 /nfs/dbraw/zinc/48/39/31/865483931.db2.gz JYHSYICQUAVPKL-UHFFFAOYSA-N 2 0 384.520 3.884 20 10 GHCDRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775664744 872488625 /nfs/dbraw/zinc/48/86/25/872488625.db2.gz PJYULYDVNFDGDI-GGAORHGYSA-N 2 0 384.612 3.525 20 10 GHCDRP CCc1nc2c(s1)[C@H]([N@H+](C)Cc1ccc(N3CC[NH+](C)CC3)cc1)CCC2 ZINC000775725703 873188676 /nfs/dbraw/zinc/18/86/76/873188676.db2.gz LXQFQTUKEYTSCY-HXUWFJFHSA-N 2 0 384.593 3.967 20 10 GHCDRP COC[C@H](C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1ccc(Cl)cc1 ZINC001202457506 876213195 /nfs/dbraw/zinc/21/31/95/876213195.db2.gz QXPZUVDEEIMMRN-FQEVSTJZSA-N 2 0 387.955 3.612 20 10 GHCDRP CCN(CC)c1ccc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cc1F ZINC000850357249 876846968 /nfs/dbraw/zinc/84/69/68/876846968.db2.gz CKGABAFLBGXACP-NRFANRHFSA-N 2 0 385.527 3.528 20 10 GHCDRP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3ccc(N4CCCCC4)cc3)cc2)C1 ZINC000850357333 876848169 /nfs/dbraw/zinc/84/81/69/876848169.db2.gz GAMFHWIOTCIYJY-DEOSSOPVSA-N 2 0 379.548 3.533 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCc4nc(Cl)ccc43)cc2F)CC1 ZINC000806137391 884358685 /nfs/dbraw/zinc/35/86/85/884358685.db2.gz JKQOHNFMMGVBMA-SFHVURJKSA-N 2 0 388.918 3.793 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](c3cccnc3)C3CCC3)cc2F)CC1 ZINC000795795432 912834582 /nfs/dbraw/zinc/83/45/82/912834582.db2.gz XEFIAEXOGOCCPQ-HSZRJFAPSA-N 2 0 382.527 3.994 20 10 GHCDRP CCc1cc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000763338022 888523231 /nfs/dbraw/zinc/52/32/31/888523231.db2.gz OLLGHNSOMRGCQY-GCJKJVERSA-N 2 0 387.612 3.710 20 10 GHCDRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)c1 ZINC000124005496 891220382 /nfs/dbraw/zinc/22/03/82/891220382.db2.gz XGNLJXHMGWYSKT-GOSISDBHSA-N 2 0 385.527 3.965 20 10 GHCDRP Cc1cccc(O)c1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000877552073 893683354 /nfs/dbraw/zinc/68/33/54/893683354.db2.gz PRRHHXAHMRYWCM-OAQYLSRUSA-N 2 0 380.532 3.719 20 10 GHCDRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2ccc3ccccc3c2O)CC1 ZINC000816535207 894904495 /nfs/dbraw/zinc/90/44/95/894904495.db2.gz JIEQOXQLIVUUDP-UHFFFAOYSA-N 2 0 389.543 3.973 20 10 GHCDRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000817900799 895954293 /nfs/dbraw/zinc/95/42/93/895954293.db2.gz SAIQPLMDNYOWHG-MDKPJZGXSA-N 2 0 389.490 3.805 20 10 GHCDRP FC(F)Oc1ccc(N2CCC([NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000817903143 895956050 /nfs/dbraw/zinc/95/60/50/895956050.db2.gz ITPXBEMMDJLBBJ-SLFFLAALSA-N 2 0 379.495 3.767 20 10 GHCDRP c1cc(N2CC[NH+](CC3CC3)CC2)ccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000817917815 895961096 /nfs/dbraw/zinc/96/10/96/895961096.db2.gz STRGMODYURIPCV-DSNGMDLFSA-N 3 0 396.623 3.619 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H](c3ccccc3)C3CCOCC3)cc2)CC1 ZINC000883290343 897455898 /nfs/dbraw/zinc/45/58/98/897455898.db2.gz RMQFNXAGGIEPIJ-DEOSSOPVSA-N 2 0 379.548 3.696 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@H](C[C@@H]3CCOC3)c3ccc(F)cc3)cc2)CC1 ZINC000883290741 897457926 /nfs/dbraw/zinc/45/79/26/897457926.db2.gz FKQYGKGDVCHWBY-GBXCKJPGSA-N 2 0 397.538 3.835 20 10 GHCDRP C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000778643623 897841804 /nfs/dbraw/zinc/84/18/04/897841804.db2.gz UUFBAFTWMAFLOK-NZQKXSOJSA-N 2 0 379.548 3.523 20 10 GHCDRP CN(C)c1ccc(C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)cc1F ZINC000133457692 898437791 /nfs/dbraw/zinc/43/77/91/898437791.db2.gz DKGKJPIUTIZTQY-UHFFFAOYSA-N 2 0 384.543 3.712 20 10 GHCDRP C[C@@H]([NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1)c1ccc(N2CCOCC2)cc1 ZINC000155301648 898587037 /nfs/dbraw/zinc/58/70/37/898587037.db2.gz YNGJGJSENBBFFA-WOJBJXKFSA-N 2 0 397.563 3.875 20 10 GHCDRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2ccc(N(C)Cc3cccs3)cc2)CC1 ZINC000823653891 899164906 /nfs/dbraw/zinc/16/49/06/899164906.db2.gz GEAKICUIXXAUEL-LJQANCHMSA-N 2 0 386.609 3.500 20 10 GHCDRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000844912065 901520898 /nfs/dbraw/zinc/52/08/98/901520898.db2.gz REVSVIUDZRAGFQ-SFLYRZDNSA-N 2 0 396.531 3.832 20 10 GHCDRP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000773146964 904486530 /nfs/dbraw/zinc/48/65/30/904486530.db2.gz SEQYSYXRGDJBIX-SFHVURJKSA-N 2 0 394.519 3.978 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3cnn(C(C)C)c3C)cc2F)CC1 ZINC000191274820 906833384 /nfs/dbraw/zinc/83/33/84/906833384.db2.gz ASTWTWSKBATZJK-KRWDZBQOSA-N 2 0 387.547 3.904 20 10 GHCDRP COc1ccc(C[NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)c(C)c1 ZINC001178203877 908939451 /nfs/dbraw/zinc/93/94/51/908939451.db2.gz GBBFLAMOZANKRC-UHFFFAOYSA-N 2 0 379.548 3.825 20 10 GHCDRP CC(C)(C)c1cc(O)c(O)c(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c1 ZINC000779878052 909058125 /nfs/dbraw/zinc/05/81/25/909058125.db2.gz YGAPEHPFVOLWJS-UHFFFAOYSA-N 2 0 390.568 3.720 20 10 GHCDRP CC(C)c1ccc(O)c(C[NH+]2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC001181689187 910897395 /nfs/dbraw/zinc/89/73/95/910897395.db2.gz WFCSNCUPYWKWBV-XMMPIXPASA-N 2 0 393.575 3.908 20 10 GHCDRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000093006800 912004592 /nfs/dbraw/zinc/00/45/92/912004592.db2.gz XHPNFHJHQKMGBP-UHFFFAOYSA-N 2 0 393.575 3.867 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCCc4cn(C5CCCC5)nc43)cc2)CC1 ZINC000780765290 930594124 /nfs/dbraw/zinc/59/41/24/930594124.db2.gz AUOBDWMJNOIBJX-HSZRJFAPSA-N 2 0 393.579 3.917 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3ccnn3C3CCC3)cc2F)CC1 ZINC000924995984 931606257 /nfs/dbraw/zinc/60/62/57/931606257.db2.gz LOJUGMWWZITHHB-QGZVFWFLSA-N 2 0 385.531 3.740 20 10 GHCDRP C[C@@H]([NH2+]Cc1cccc(CN2CC[NH+](C)CC2)c1)c1cc2c(cc1O)CCCC2 ZINC001116584687 933648046 /nfs/dbraw/zinc/64/80/46/933648046.db2.gz JMCUECMVFTVKMY-LJQANCHMSA-N 2 0 393.575 3.869 20 10 GHCDRP COc1cc(C[NH+]2CCC3(CC[NH+](Cc4ccccc4)CC3)CC2)cc(O)c1O ZINC001204346745 1032785620 /nfs/dbraw/zinc/78/56/20/1032785620.db2.gz YAJHGZADBFBCIL-UHFFFAOYSA-N 2 0 396.531 3.985 20 10 GHCDRP CC[NH+]1CCC(CC2CC[NH+](Cc3ccc(N4CCC(O)CC4)cc3)CC2)CC1 ZINC001140287242 1021319704 /nfs/dbraw/zinc/31/97/04/1021319704.db2.gz KXBWWFXNYWZBKU-UHFFFAOYSA-N 2 0 399.623 3.982 20 10 GHCDRP Oc1cccc2c1[C@H]([NH2+]C[C@H]1C[N@H+](Cc3ccccc3)CC13CCOCC3)CC2 ZINC000834811023 1021506834 /nfs/dbraw/zinc/50/68/34/1021506834.db2.gz LWBVGBDHFHOJIN-FCHUYYIVSA-N 2 0 392.543 3.898 20 10 GHCDRP CN(C)c1ccc(/C=C/C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)cc1 ZINC000835047810 1021810568 /nfs/dbraw/zinc/81/05/68/1021810568.db2.gz KQEMFSJKODWMNI-COIATFDQSA-N 2 0 379.548 3.512 20 10 GHCDRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H](C)c2ccc(C)c(C)c2O)CC1 ZINC000756435181 1023646692 /nfs/dbraw/zinc/64/66/92/1023646692.db2.gz XPLAQHYCBZDHSG-HXUWFJFHSA-N 2 0 381.564 3.997 20 10 GHCDRP COc1ccc(O)c([C@@H](C)[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)c1 ZINC000756620852 1023740502 /nfs/dbraw/zinc/74/05/02/1023740502.db2.gz NUFUXCRGTBZUSS-OAHLLOKOSA-N 2 0 389.927 3.657 20 10 GHCDRP C[C@H]1C[C@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)c2c1c(F)ccc2O ZINC000756633333 1023746730 /nfs/dbraw/zinc/74/67/30/1023746730.db2.gz HNFAGWWDXCWPAY-YWZLYKJASA-N 2 0 384.495 3.826 20 10 GHCDRP C[C@@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1ccc2ccccc2c1O ZINC000756642395 1023750091 /nfs/dbraw/zinc/75/00/91/1023750091.db2.gz NUEWUFNGYNOHLF-QGZVFWFLSA-N 2 0 397.563 3.823 20 10 GHCDRP CN1CCOc2cc(C[N@@H+]3CC[C@@H]4C[NH+](Cc5ccccc5)CC[C@H]4C3)ccc21 ZINC001141146276 1023966827 /nfs/dbraw/zinc/96/68/27/1023966827.db2.gz QLLLWFMCLQKDGS-PKTZIBPZSA-N 2 0 391.559 3.859 20 10 GHCDRP C[NH+]1CCC(C2CC[NH+](Cc3cc4c5c(c3O)CCCN5CCC4)CC2)CC1 ZINC001138337090 1024699482 /nfs/dbraw/zinc/69/94/82/1024699482.db2.gz KIRBCUIIPZRXGZ-UHFFFAOYSA-N 2 0 383.580 3.645 20 10 GHCDRP C[N@H+](Cc1ccc(-n2ccnc2)cc1)Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138342940 1024703561 /nfs/dbraw/zinc/70/35/61/1024703561.db2.gz VSRLSPXMEWNJGF-UHFFFAOYSA-N 2 0 388.515 3.909 20 10 GHCDRP COc1cc(C[N@H+](Cc2ccccc2)C2CCOCC2)cc(C[NH+](C)C)c1O ZINC001139257363 1026107854 /nfs/dbraw/zinc/10/78/54/1026107854.db2.gz AMOXFKSAMOTRFQ-UHFFFAOYSA-N 2 0 384.520 3.644 20 10 GHCDRP C[N@H+](Cc1ccccc1)C1CCN(Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC001139409787 1026282376 /nfs/dbraw/zinc/28/23/76/1026282376.db2.gz SIXOSXRYEXDLAP-UHFFFAOYSA-N 2 0 392.591 3.535 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCO[C@](C)(c4ccc(Cl)cc4)C3)cc2)CC1 ZINC001139412106 1026283785 /nfs/dbraw/zinc/28/37/85/1026283785.db2.gz FCRPWSJUQJBHTJ-QHCPKHFHSA-N 2 0 399.966 3.839 20 10 GHCDRP CCCOc1cc(C)ccc1C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001461285044 1069481556 /nfs/dbraw/zinc/48/15/56/1069481556.db2.gz WLMBKLKNZRLGND-UHFFFAOYSA-N 2 0 385.527 3.965 20 10 GHCDRP COc1cc(O)c(C[N@@H+]2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)cc1OC ZINC000843106536 1029811737 /nfs/dbraw/zinc/81/17/37/1029811737.db2.gz BIVWJRAGEGSGLD-ICSRJNTNSA-N 2 0 384.520 3.582 20 10 GHCDRP CC1(C)C=Cc2c(O)c(C[N@@H+]3C[C@@H](c4ccccc4)C4(C[NH2+]C4)C3)ccc2O1 ZINC001222614159 1030237998 /nfs/dbraw/zinc/23/79/98/1030237998.db2.gz AWTPXWQWHHQCET-FQEVSTJZSA-N 2 0 376.500 3.765 20 10 GHCDRP C[C@@H]1CC([NH2+]Cc2ccc(N3CC[NH2+]CC3)cc2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001246171857 1037222464 /nfs/dbraw/zinc/22/24/64/1037222464.db2.gz FQRCODYVDYLVGZ-NHCUHLMSSA-N 3 0 392.591 3.627 20 10 GHCDRP CN(C)c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)c(O)c1 ZINC001232842277 1038591913 /nfs/dbraw/zinc/59/19/13/1038591913.db2.gz UWIXZDHNIJRGNP-RTWAWAEBSA-N 2 0 379.548 3.802 20 10 GHCDRP Cc1cc(Br)cc(C[N@@H+]2CCC[C@@H](Oc3ccncc3)C2)c1O ZINC001233111768 1038902944 /nfs/dbraw/zinc/90/29/44/1038902944.db2.gz WXJWQEUWZZVIJY-QGZVFWFLSA-N 2 0 377.282 3.902 20 10 GHCDRP CC[NH+]1CCN(c2ccc(O[C@H]3CCC[N@@H+]([C@@H](C)c4ccccn4)C3)cc2)CC1 ZINC001234660048 1040195698 /nfs/dbraw/zinc/19/56/98/1040195698.db2.gz CIBPUVCEINYURN-REWPJTCUSA-N 2 0 394.563 3.828 20 10 GHCDRP Oc1c(C[NH+]2CCC3(CC2)C[NH2+]Cc2ccccc23)cccc1OC(F)(F)F ZINC001235092603 1040583149 /nfs/dbraw/zinc/58/31/49/1040583149.db2.gz WZNDPEFNRZHYDP-UHFFFAOYSA-N 2 0 392.421 3.928 20 10 GHCDRP CSc1ccccc1[C@H]1CCC[N@@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001236107831 1041540321 /nfs/dbraw/zinc/54/03/21/1041540321.db2.gz FFJJQICIWPUVLQ-HXUWFJFHSA-N 2 0 383.561 3.861 20 10 GHCDRP CC[N@H+](Cc1ccc(C(F)(F)F)cc1)Cc1cc2c(cc1O)OCC[NH2+]C2 ZINC001236240731 1041639836 /nfs/dbraw/zinc/63/98/36/1041639836.db2.gz UCBVKVPNFQWJEV-UHFFFAOYSA-N 2 0 380.410 3.915 20 10 GHCDRP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)CC2CCCCC2)CC1 ZINC001236759229 1041876972 /nfs/dbraw/zinc/87/69/72/1041876972.db2.gz QGACIAGEVURAQA-HCGLCNNCSA-N 3 0 384.612 3.748 20 10 GHCDRP COc1ccc([C@H]2CC[N@H+](Cc3ccc(N4CC[NH+](C)CC4)cc3F)C2)cc1 ZINC001236944101 1041965921 /nfs/dbraw/zinc/96/59/21/1041965921.db2.gz ZUWZUQZCTBQRRH-IBGZPJMESA-N 2 0 383.511 3.576 20 10 GHCDRP COC(=O)c1c(C[NH+]2CCC(CC3CC[NH2+]CC3)CC2)c2ccccc2n1C ZINC001236962071 1041970571 /nfs/dbraw/zinc/97/05/71/1041970571.db2.gz UEDZOUSAACIIAR-UHFFFAOYSA-N 2 0 383.536 3.567 20 10 GHCDRP Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC001337786064 1058262524 /nfs/dbraw/zinc/26/25/24/1058262524.db2.gz UYYBQUZWAXAAQW-GIVPXCGWSA-N 2 0 379.548 3.827 20 10 GHCDRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC001474234037 1074302801 /nfs/dbraw/zinc/30/28/01/1074302801.db2.gz IQWYMUDGSZAEHA-DENIHFKCSA-N 2 0 397.538 3.520 20 10 GHCDRP COC(=O)c1c(C[NH2+]C2CCC(C)([NH+]3CCC3)CC2)c2cc(F)ccc2n1C ZINC001474735487 1074539106 /nfs/dbraw/zinc/53/91/06/1074539106.db2.gz QSMIHIRWPFVXGX-UHFFFAOYSA-N 2 0 387.499 3.601 20 10 GHCDRP Cc1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)c(O)c1C ZINC000273469160 847347414 /nfs/dbraw/zinc/34/74/14/847347414.db2.gz FHFQQTFHTFJSPX-WIYYLYMNSA-N 2 0 395.547 3.557 20 10 GHCDRP C[C@H](C[NH2+]Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O)N1CC[NH+](C)CC1 ZINC000237531511 850091001 /nfs/dbraw/zinc/09/10/01/850091001.db2.gz QMSGYFWNIGKJHE-QGZVFWFLSA-N 2 0 375.601 3.713 20 10 GHCDRP C[C@@H]([NH2+]CCCCC[NH+]1CCCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000164649968 854135278 /nfs/dbraw/zinc/13/52/78/854135278.db2.gz BCANBSVGWXIWHQ-LJQANCHMSA-N 2 0 377.548 3.969 20 10 GHCDRP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CC1 ZINC000765996344 860476058 /nfs/dbraw/zinc/47/60/58/860476058.db2.gz ZBYIQUPXHYLRGK-LJQANCHMSA-N 2 0 379.976 3.863 20 10 GHCDRP Cc1cc(O)c(C[NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)cc1C ZINC000174344392 865751549 /nfs/dbraw/zinc/75/15/49/865751549.db2.gz BSDKIEQWOZWBDT-UHFFFAOYSA-N 2 0 398.547 3.788 20 10 GHCDRP CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3c(O)cccc3Cl)CC2)CC1 ZINC000769526177 874132208 /nfs/dbraw/zinc/13/22/08/874132208.db2.gz JVQJLBYOYNMHPT-UHFFFAOYSA-N 2 0 379.976 3.674 20 10 GHCDRP Oc1cccc(Br)c1CNC1CC[NH+](CCc2ccccc2)CC1 ZINC000858095087 882838653 /nfs/dbraw/zinc/83/86/53/882838653.db2.gz XHSYJXOHYDMOGJ-UHFFFAOYSA-N 2 0 389.337 3.951 20 10 GHCDRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(OC)cc(C(C)(C)C)c2O)[C@@H](C)C1 ZINC000850137629 876691535 /nfs/dbraw/zinc/69/15/35/876691535.db2.gz RASMCAJQKJKAEI-LAUBAEHRSA-N 2 0 392.584 3.925 20 10 GHCDRP COc1cc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)c(O)c(C(C)(C)C)c1 ZINC000850344371 876833668 /nfs/dbraw/zinc/83/36/68/876833668.db2.gz GWCFWYKCUPQEBO-UHFFFAOYSA-N 2 0 390.568 3.679 20 10 GHCDRP COc1ccc(N2CC[C@H]([NH2+][C@H](C)[C@H]3CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC000850487508 876962040 /nfs/dbraw/zinc/96/20/40/876962040.db2.gz HLWYBWDLXZAPLQ-HJNYFJLDSA-N 2 0 379.548 3.774 20 10 GHCDRP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccc2ccccc2c1O ZINC000850509420 876981680 /nfs/dbraw/zinc/98/16/80/876981680.db2.gz PWZVIYUCXFGEST-DYESRHJHSA-N 2 0 376.500 3.963 20 10 GHCDRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000850565891 877031684 /nfs/dbraw/zinc/03/16/84/877031684.db2.gz JDUOFXDFEAYMQP-YADARESESA-N 2 0 385.596 3.780 20 10 GHCDRP Oc1cc2c(cc1C[NH+]1CCC3(CC[N@H+](Cc4ccccc4)C3)CC1)OCO2 ZINC000762498872 886290092 /nfs/dbraw/zinc/29/00/92/886290092.db2.gz CJXCNRZATHVCDY-UHFFFAOYSA-N 2 0 380.488 3.609 20 10 GHCDRP CSC1(C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC[NH+](C)CC1 ZINC000810170309 888231861 /nfs/dbraw/zinc/23/18/61/888231861.db2.gz IKENCHCPDVDGNS-UHFFFAOYSA-N 2 0 392.569 3.502 20 10 GHCDRP CC[C@H]([NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1O ZINC000810210420 888323070 /nfs/dbraw/zinc/32/30/70/888323070.db2.gz UMGWJUGZUPQJMG-ZWKOTPCHSA-N 2 0 387.490 3.724 20 10 GHCDRP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000877038328 893452487 /nfs/dbraw/zinc/45/24/87/893452487.db2.gz MJDDUHDCFYJNJC-FQEVSTJZSA-N 2 0 393.575 3.963 20 10 GHCDRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](CCc2ccccc2)c2ccccc2O)CC1 ZINC000815559857 893998855 /nfs/dbraw/zinc/99/88/55/893998855.db2.gz RMBHEAHMUCDPBO-OFNKIYASSA-N 2 0 381.564 3.682 20 10 GHCDRP C[C@@H]1CCCN(c2ccc(C[NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)cc2Cl)C1 ZINC000817929798 895949811 /nfs/dbraw/zinc/94/98/11/895949811.db2.gz KIKCXJIIEFBDOP-XRULBBBTSA-N 2 0 391.987 3.823 20 10 GHCDRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000817903737 895956365 /nfs/dbraw/zinc/95/63/65/895956365.db2.gz ULSKTXWXYKNLJZ-IIBYNOLFSA-N 2 0 389.490 3.805 20 10 GHCDRP COCCC[NH+]1CCC([NH2+]Cc2ccc(N(C)Cc3cccs3)cc2)CC1 ZINC000823757764 899237429 /nfs/dbraw/zinc/23/74/29/899237429.db2.gz PDCVOTOHLBXSEN-UHFFFAOYSA-N 2 0 387.593 3.975 20 10 GHCDRP COc1cccc([C@H](C)[NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)c1O ZINC000846147214 902721327 /nfs/dbraw/zinc/72/13/27/902721327.db2.gz UVDVKCAJGMOWDO-HOTGVXAUSA-N 2 0 387.499 3.704 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH+]3CCC(OCc4ccccc4F)CC3)cc2)CC1 ZINC000779604362 907861847 /nfs/dbraw/zinc/86/18/47/907861847.db2.gz YNWCRIUYYLUMGC-UHFFFAOYSA-N 2 0 397.538 3.759 20 10 GHCDRP C[C@@H]1C[C@H](CC[NH2+]Cc2ccc(N3CCOCC3)cc2)C[N@@H+]1Cc1ccccc1 ZINC000753850145 929562744 /nfs/dbraw/zinc/56/27/44/929562744.db2.gz JVDFCPQXOFBMKF-QPPBQGQZSA-N 2 0 393.575 3.914 20 10 GHCDRP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c2c1c(F)ccc2O ZINC000757640340 929755244 /nfs/dbraw/zinc/75/52/44/929755244.db2.gz RZUVCZJZOCVIEC-XFQXTVEOSA-N 2 0 384.495 3.826 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H](Oc4ccccc4C)C3)cc2)CC1 ZINC001140304521 1021354225 /nfs/dbraw/zinc/35/42/25/1021354225.db2.gz SQFNEKNHKFWUTN-HSZRJFAPSA-N 2 0 379.548 3.790 20 10 GHCDRP COc1cc(O)c(C[NH+]2CCN(c3cc(C)[nH+]c4ccccc43)CC2)c(OC)c1 ZINC001141031795 1023298572 /nfs/dbraw/zinc/29/85/72/1023298572.db2.gz LXAAUZJOLWTHBN-UHFFFAOYSA-N 2 0 393.487 3.588 20 10 GHCDRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)c2c1c(F)ccc2O ZINC000756434745 1023647770 /nfs/dbraw/zinc/64/77/70/1023647770.db2.gz OZLTWCLBHSCIKH-UZLBHIALSA-N 2 0 383.511 3.617 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3cc4c(cc3O)CCCC4)cn2)CC1 ZINC000756434476 1023647821 /nfs/dbraw/zinc/64/78/21/1023647821.db2.gz TYQSDWDIVQLYOK-SFHVURJKSA-N 2 0 394.563 3.659 20 10 GHCDRP CN1CCOc2cc(C[N@@H+]3CC[C@H]4C[NH+](Cc5ccccc5)CC[C@H]4C3)ccc21 ZINC001141146275 1023966625 /nfs/dbraw/zinc/96/66/25/1023966625.db2.gz QLLLWFMCLQKDGS-GOTSBHOMSA-N 2 0 391.559 3.859 20 10 GHCDRP C[C@@H]1CN(c2ccc(C[NH2+]C3CCN(c4cc[nH+]cc4)CC3)cc2F)C[C@H](C)O1 ZINC000838906013 1025433802 /nfs/dbraw/zinc/43/38/02/1025433802.db2.gz HBYKLIGDKPVTJI-HDICACEKSA-N 2 0 398.526 3.593 20 10 GHCDRP CCN(Cc1cc(C[NH+](C)C)c(O)c(OC)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001139258519 1026109751 /nfs/dbraw/zinc/10/97/51/1026109751.db2.gz QFZZELJIDYLVAF-QFIPXVFZSA-N 2 0 397.563 3.559 20 10 GHCDRP CCC[C@H](C(=O)c1ccccc1)[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001139410937 1026281838 /nfs/dbraw/zinc/28/18/38/1026281838.db2.gz MPSIAHYBPVVMLV-HSZRJFAPSA-N 2 0 379.548 3.922 20 10 GHCDRP COc1ccc(N2CC[NH+](CCCNc3cccc(C4=[NH+]CCC4)c3)CC2)cc1 ZINC001164335989 1026489460 /nfs/dbraw/zinc/48/94/60/1026489460.db2.gz MPZBKKLRDWNIFN-UHFFFAOYSA-N 2 0 392.547 3.902 20 10 GHCDRP COc1cccc(C[NH+]2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1O ZINC001203591273 1027456561 /nfs/dbraw/zinc/45/65/61/1027456561.db2.gz GATIWOJNNCDXEQ-OAQYLSRUSA-N 2 0 396.531 3.656 20 10 GHCDRP CN(C)c1ccc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccccc2)CCO3)cc1 ZINC001203932938 1027727532 /nfs/dbraw/zinc/72/75/32/1027727532.db2.gz DTAVRCCYTRVNIF-UHFFFAOYSA-N 2 0 379.548 3.620 20 10 GHCDRP COc1ccc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1Cn1cccn1 ZINC001461460223 1069559674 /nfs/dbraw/zinc/55/96/74/1069559674.db2.gz KEZFAPMREVXCFP-QFIPXVFZSA-N 2 0 390.531 3.552 20 10 GHCDRP CCN(Cc1ccccc1)c1ccc(C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000843124769 1029816807 /nfs/dbraw/zinc/81/68/07/1029816807.db2.gz GLPQHPOWZGZNRX-HSZRJFAPSA-N 2 0 393.575 3.900 20 10 GHCDRP CCOC(=O)[C@@H]1CC2(C[N@@H+]1Cc1cccc(-c3ccccc3)c1O)CC[NH2+]CC2 ZINC001222225561 1030019934 /nfs/dbraw/zinc/01/99/34/1030019934.db2.gz FQKNCLVGLQQUSE-NRFANRHFSA-N 2 0 394.515 3.566 20 10 GHCDRP [NH3+]CC1(c2ccccc2)CC[NH+](Cc2c(O)cccc2OC(F)(F)F)CC1 ZINC001206761041 1033973864 /nfs/dbraw/zinc/97/38/64/1033973864.db2.gz RXYWIORXLAQQAO-UHFFFAOYSA-N 2 0 380.410 3.783 20 10 GHCDRP Oc1ccc2ccccc2c1C[N@H+]1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001231588681 1034744590 /nfs/dbraw/zinc/74/45/90/1034744590.db2.gz OEXOZOVOXIPIPN-UHFFFAOYSA-N 2 0 390.531 3.786 20 10 GHCDRP CN1CCC[C@@H]2C[N@H+](Cc3c(O)ccc4cc(Br)ccc43)C[C@H]21 ZINC001233195706 1038961920 /nfs/dbraw/zinc/96/19/20/1038961920.db2.gz ONHPKYQGPKSDJU-RDTXWAMCSA-N 2 0 375.310 3.834 20 10 GHCDRP CC[NH+]1CCN(c2ccc(O[C@H]3CCC[N@@H+]([C@H](C)c4ccccn4)C3)cc2)CC1 ZINC001234660046 1040195870 /nfs/dbraw/zinc/19/58/70/1040195870.db2.gz CIBPUVCEINYURN-OFNKIYASSA-N 2 0 394.563 3.828 20 10 GHCDRP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001462542808 1070345045 /nfs/dbraw/zinc/34/50/45/1070345045.db2.gz OHEOZWTXHKUAQH-IBGZPJMESA-N 2 0 394.563 3.508 20 10 GHCDRP Cc1ccccc1OC1CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)CC1 ZINC001236931340 1041963569 /nfs/dbraw/zinc/96/35/69/1041963569.db2.gz JIAMEVHXMIDUPR-UHFFFAOYSA-N 2 0 397.538 3.929 20 10 GHCDRP COc1ccccc1[C@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)C1 ZINC001236933560 1041964246 /nfs/dbraw/zinc/96/42/46/1041964246.db2.gz YLRJTHPMHMCSEO-SFHVURJKSA-N 2 0 383.511 3.576 20 10 GHCDRP Cc1ccc(OC2CC[NH+](Cc3ccc(N4CC[NH+](C)CC4)cc3F)CC2)cc1 ZINC001236938855 1041965463 /nfs/dbraw/zinc/96/54/63/1041965463.db2.gz MLKGXSSBHOMPMU-UHFFFAOYSA-N 2 0 397.538 3.929 20 10 GHCDRP C[NH+]1CCC(C[NH+]2CCN(Cc3cc(-c4ccc(F)cc4)ccc3O)CC2)CC1 ZINC001237651188 1042304591 /nfs/dbraw/zinc/30/45/91/1042304591.db2.gz ZQMKCJBYSLQQEB-UHFFFAOYSA-N 2 0 397.538 3.658 20 10 GHCDRP Oc1cc(O)c(C[NH2+][C@@]23CC[C@@]([NH2+]Cc4ccc[nH]4)(C2)CCC3)cc1Cl ZINC001279572002 1047842336 /nfs/dbraw/zinc/84/23/36/1047842336.db2.gz DOZPQRGECFNGTO-VQTJNVASSA-N 2 0 375.900 3.804 20 10 GHCDRP COc1ccc(C[NH2+]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1Cn1cccn1 ZINC001308204554 1049911648 /nfs/dbraw/zinc/91/16/48/1049911648.db2.gz UYADVBXFYGBZDD-WOJBJXKFSA-N 2 0 384.568 3.788 20 10 GHCDRP C[C@H]1C[C@H]([NH2+]Cc2cccc(CN3CC[NH+](C)CC3)c2)c2c1c(F)ccc2O ZINC001320125022 1055664717 /nfs/dbraw/zinc/66/47/17/1055664717.db2.gz PPIYTKDIRQXCMH-JXFKEZNVSA-N 2 0 383.511 3.617 20 10 GHCDRP CCc1cccc(C[NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)c1O ZINC000848898720 1057405693 /nfs/dbraw/zinc/40/56/93/1057405693.db2.gz GMLJCUHOCCRUTL-UHFFFAOYSA-N 2 0 379.548 3.776 20 10 GHCDRP CC[C@@H]([NH2+]CCCC[NH+]1CCN(CC)CC1)c1cc(Br)ccc1O ZINC000155125548 836438743 /nfs/dbraw/zinc/43/87/43/836438743.db2.gz BUTBBCZDDZUEEV-GOSISDBHSA-N 2 0 398.389 3.613 20 10 GHCDRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000160342520 838518006 /nfs/dbraw/zinc/51/80/06/838518006.db2.gz VCMDRTPVXPZZNW-FQEVSTJZSA-N 2 0 380.580 3.741 20 10 GHCDRP Cc1nn(C(C)C)c(C)c1C[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000893224417 839028534 /nfs/dbraw/zinc/02/85/34/839028534.db2.gz DMAJAUNQELBJSA-UHFFFAOYSA-N 2 0 395.595 3.903 20 10 GHCDRP COc1ccc(N2CCC([NH2+][C@H](C)c3ccc(OCC[NH+](C)C)cc3)CC2)cc1 ZINC000157353028 856076672 /nfs/dbraw/zinc/07/66/72/856076672.db2.gz UQUYTFICIPFLEA-LJQANCHMSA-N 2 0 397.563 3.955 20 10 GHCDRP C[C@@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000158169595 858488932 /nfs/dbraw/zinc/48/89/32/858488932.db2.gz SWRVRUUACDKZRJ-LJQANCHMSA-N 2 0 377.548 3.825 20 10 GHCDRP CC[C@@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000765684963 860398607 /nfs/dbraw/zinc/39/86/07/860398607.db2.gz VVFHURQPXGTOOF-RPWUZVMVSA-N 2 0 380.580 3.782 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH+]3CCC(C(=O)c4ccccc4)CC3)cc2)CC1 ZINC000775646229 872246677 /nfs/dbraw/zinc/24/66/77/872246677.db2.gz VRMGBERHXXGFJM-UHFFFAOYSA-N 2 0 377.532 3.533 20 10 GHCDRP C[N@H+](Cc1cc(Br)cs1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775654849 872395874 /nfs/dbraw/zinc/39/58/74/872395874.db2.gz PXMQOPYITGBOQY-UHFFFAOYSA-N 2 0 394.382 3.894 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cccc(C(=O)OC(C)(C)C)c3)cc2)CC1 ZINC000776257248 876068957 /nfs/dbraw/zinc/06/89/57/876068957.db2.gz JZSHHNXFVLLQGG-UHFFFAOYSA-N 2 0 395.547 3.684 20 10 GHCDRP CN(C)c1ccc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)c(C(F)(F)F)c1 ZINC000850344196 876833605 /nfs/dbraw/zinc/83/36/05/876833605.db2.gz DEBXOJIMQWLDLR-UHFFFAOYSA-N 2 0 399.501 3.752 20 10 GHCDRP COc1cc(Br)cc(C[NH+]2CCC(CCC[NH+](C)C)CC2)c1O ZINC000093688386 912385779 /nfs/dbraw/zinc/38/57/79/912385779.db2.gz BBAZFSRCGAUTAC-UHFFFAOYSA-N 2 0 385.346 3.717 20 10 GHCDRP Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2ccncc2OCCC[NH+](C)C)c1O ZINC000808719754 886704229 /nfs/dbraw/zinc/70/42/29/886704229.db2.gz IWWSGCKJOLBNTD-HNNXBMFYSA-N 2 0 377.916 3.930 20 10 GHCDRP CCCN(CCC)c1ccc(C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000809740795 887776228 /nfs/dbraw/zinc/77/62/28/887776228.db2.gz IVBHEJUSCDQSDM-DEOSSOPVSA-N 2 0 386.628 3.913 20 10 GHCDRP COc1ccc(N2CCN(CCC[NH2+]C3CCC(C(F)(F)F)CC3)CC2)cc1 ZINC000122808876 890107349 /nfs/dbraw/zinc/10/73/49/890107349.db2.gz JGJOSNOVWFNZDJ-UHFFFAOYSA-N 2 0 399.501 3.918 20 10 GHCDRP CC(C)[NH+]1CCN(c2cccc(NC(=O)c3ccc(C[NH+](C)C)cc3)c2)CC1 ZINC000123326068 890519900 /nfs/dbraw/zinc/51/99/00/890519900.db2.gz MYVLNUUYXARVPY-UHFFFAOYSA-N 2 0 380.536 3.531 20 10 GHCDRP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000877038329 893452074 /nfs/dbraw/zinc/45/20/74/893452074.db2.gz MJDDUHDCFYJNJC-HXUWFJFHSA-N 2 0 393.575 3.963 20 10 GHCDRP CN(C)c1ccc([C@H](N)C[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)cc1 ZINC000817941763 895970349 /nfs/dbraw/zinc/97/03/49/895970349.db2.gz KTPOFCXWNQFKEN-FOJYNEPKSA-N 2 0 380.580 3.785 20 10 GHCDRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000824188054 899424158 /nfs/dbraw/zinc/42/41/58/899424158.db2.gz RVKLTWBNFMBQQO-LJQANCHMSA-N 2 0 386.609 3.500 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCc4cc(F)c(F)c(F)c43)cc2)CC1 ZINC000825046612 899950951 /nfs/dbraw/zinc/95/09/51/899950951.db2.gz VVUMSHOYTHTURX-SFHVURJKSA-N 2 0 375.438 3.633 20 10 GHCDRP C[NH+](C)CCCOc1ccc(C[NH2+]Cc2ccc(Br)cc2O)cc1 ZINC000825215506 900031391 /nfs/dbraw/zinc/03/13/91/900031391.db2.gz SJKCQOSGPVYYGA-UHFFFAOYSA-N 2 0 393.325 3.775 20 10 GHCDRP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000773146960 904486645 /nfs/dbraw/zinc/48/66/45/904486645.db2.gz SEQYSYXRGDJBIX-GOSISDBHSA-N 2 0 394.519 3.978 20 10 GHCDRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000246828429 910687866 /nfs/dbraw/zinc/68/78/66/910687866.db2.gz BOESIPCADQTKOW-RBUKOAKNSA-N 2 0 377.548 3.825 20 10 GHCDRP Cc1ccc(C[NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)cc1[N+](=O)[O-] ZINC000092855867 911867206 /nfs/dbraw/zinc/86/72/06/911867206.db2.gz HJLKKZCRQOSNHN-UHFFFAOYSA-N 2 0 394.519 3.725 20 10 GHCDRP CC[C@@H]([NH2+]Cc1ccc(N2CC[NH+](CC)CC2)nc1)c1cc(Cl)ccc1O ZINC000775488615 918264068 /nfs/dbraw/zinc/26/40/68/918264068.db2.gz PKECQWWFRROIRM-LJQANCHMSA-N 2 0 388.943 3.823 20 10 GHCDRP Oc1ccc2c(ccc(O)c2C[N@@H+]2CC[C@@H](CF)C2)c1C[NH+]1CC[C@@H](CF)C1 ZINC000902367598 922131302 /nfs/dbraw/zinc/13/13/02/922131302.db2.gz CNTVOQWQQLWDAM-HOTGVXAUSA-N 2 0 390.474 3.834 20 10 GHCDRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(OCc2ccccc2)cc1O ZINC000753549560 929408741 /nfs/dbraw/zinc/40/87/41/929408741.db2.gz SLHIPNBSFQTJDD-SFLYRZDNSA-N 2 0 396.531 3.655 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@H]([C@@H]4CCOC4)C3)cc2F)CC1 ZINC000798493829 932670845 /nfs/dbraw/zinc/67/08/45/932670845.db2.gz UETZRVMZZKFTED-PWRODBHTSA-N 2 0 389.559 3.653 20 10 GHCDRP Cc1ccc(O)c(C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)c1 ZINC001140621090 1022093924 /nfs/dbraw/zinc/09/39/24/1022093924.db2.gz GYCBQCYKVMPAQP-VWNXMTODSA-N 2 0 384.564 3.661 20 10 GHCDRP COc1cc(C[N@@H+]2CCC[C@@H](Sc3ccncc3)C2)cc(C[NH+](C)C)c1O ZINC001139256668 1026106666 /nfs/dbraw/zinc/10/66/66/1026106666.db2.gz GOKVLRKGYHWFBC-LJQANCHMSA-N 2 0 387.549 3.614 20 10 GHCDRP COc1cc(C[NH+]2CCC3(CCc4ccccc4O3)CC2)cc(C[NH+](C)C)c1O ZINC001139259020 1026109914 /nfs/dbraw/zinc/10/99/14/1026109914.db2.gz DWTXPWQKBYJJDC-UHFFFAOYSA-N 2 0 396.531 3.822 20 10 GHCDRP COC(=O)c1cccc([C@H]2CCC[N@@H+]2Cc2cc(C[NH+](C)C)c(O)c(OC)c2)c1 ZINC001139261186 1026111948 /nfs/dbraw/zinc/11/19/48/1026111948.db2.gz WKIHXOBINJWDKW-HXUWFJFHSA-N 2 0 398.503 3.586 20 10 GHCDRP C[N@H+](CCc1cccc(C(F)(F)F)n1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001139404527 1026275992 /nfs/dbraw/zinc/27/59/92/1026275992.db2.gz MQLJAZYOUZUBLJ-UHFFFAOYSA-N 2 0 392.469 3.527 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCc4ccc(OC)cc4C3)cc2F)CC1 ZINC001461168129 1069423556 /nfs/dbraw/zinc/42/35/56/1069423556.db2.gz OSXDKPSKOPIKFB-OAQYLSRUSA-N 2 0 397.538 3.623 20 10 GHCDRP CN(C)c1ccc(C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)cc1 ZINC001203931053 1027722801 /nfs/dbraw/zinc/72/28/01/1027722801.db2.gz AGJAUQNCYJRBJB-NOZRDPDXSA-N 2 0 397.607 3.713 20 10 GHCDRP Cc1ccc(C[N@@H+]2CCOC3(CC[NH+](Cc4ccc(N(C)C)cc4)CC3)C2)cc1 ZINC001203932740 1027727286 /nfs/dbraw/zinc/72/72/86/1027727286.db2.gz BGVVODGWBVMPLZ-UHFFFAOYSA-N 2 0 393.575 3.928 20 10 GHCDRP OC1(C[NH2+]Cc2ccc(N3CCCCC3)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000840969825 1028002975 /nfs/dbraw/zinc/00/29/75/1028002975.db2.gz LMINJXPDRLETNO-UHFFFAOYSA-N 2 0 393.575 3.794 20 10 GHCDRP Brc1cc(C[NH2+][C@H]2CC23CC[NH2+]CC3)ccc1N1CCCCC1 ZINC000841078698 1028099538 /nfs/dbraw/zinc/09/95/38/1028099538.db2.gz IQLUWNXRDBIALG-SFHVURJKSA-N 2 0 378.358 3.671 20 10 GHCDRP Oc1cc2c(cc1C[NH+]1CCC(Cc3cccc(Cl)c3)CC1)C[NH2+]CCO2 ZINC001206711614 1033954069 /nfs/dbraw/zinc/95/40/69/1033954069.db2.gz LQDCMUGIFRGNER-UHFFFAOYSA-N 2 0 386.923 3.982 20 10 GHCDRP COc1cc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)c(O)cc1Br ZINC001235235787 1040716061 /nfs/dbraw/zinc/71/60/61/1040716061.db2.gz AZKDDXWEIYDBPU-MRXNPFEDSA-N 2 0 383.330 3.517 20 10 GHCDRP CC[N@H+](Cc1ccc(Br)cc1)Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001235962604 1041469384 /nfs/dbraw/zinc/46/93/84/1041469384.db2.gz NUKFKDZOGUMLSF-UHFFFAOYSA-N 2 0 388.353 3.881 20 10 GHCDRP COc1cc(O)c(C[N@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)c(Br)c1 ZINC001236374867 1041687164 /nfs/dbraw/zinc/68/71/64/1041687164.db2.gz FZPWCEINRMKOJM-AWEZNQCLSA-N 2 0 397.357 3.908 20 10 GHCDRP Oc1ccc(OCc2ccccc2)cc1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001236792201 1041898057 /nfs/dbraw/zinc/89/80/57/1041898057.db2.gz KWUSHMVAZLGZEJ-UHFFFAOYSA-N 2 0 375.472 3.688 20 10 GHCDRP COc1cc(C)c(C[NH+]2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c(O)c1 ZINC001236810724 1041910364 /nfs/dbraw/zinc/91/03/64/1041910364.db2.gz IZQOPQISCBCOEB-UHFFFAOYSA-N 2 0 381.520 3.592 20 10 GHCDRP Oc1cc(N2CC[NH2+]CC2)ccc1C[N@@H+]1CCC[C@@H](CCc2ccccc2)C1 ZINC001236951710 1041968731 /nfs/dbraw/zinc/96/87/31/1041968731.db2.gz ZXCIYNWPNFDXRK-NRFANRHFSA-N 2 0 379.548 3.647 20 10 GHCDRP Cc1cc(O)c(C[N@H+]2CCC[C@@]3(CCCN(CC[NH+](C)C)C3)C2)cc1Cl ZINC001279432638 1047804386 /nfs/dbraw/zinc/80/43/86/1047804386.db2.gz HFIHLOAIFFMYRJ-OAQYLSRUSA-N 2 0 379.976 3.594 20 10 GHCDRP Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC001321023082 1056061312 /nfs/dbraw/zinc/06/13/12/1056061312.db2.gz KHPXUFMQKFPJNV-UWJYYQICSA-N 2 0 380.532 3.995 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCc4c3cccc4[N+](=O)[O-])cc2F)CC1 ZINC000848528393 1057150808 /nfs/dbraw/zinc/15/08/08/1057150808.db2.gz LKTHCKHOIPCDBK-FQEVSTJZSA-N 2 0 398.482 3.653 20 10 GHCDRP C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)CN1Cc1ccccc1 ZINC001474685627 1074514454 /nfs/dbraw/zinc/51/44/54/1074514454.db2.gz WLFDGXDKPDZNNH-ZJSXRUAMSA-N 2 0 392.591 3.581 20 10 GHCDRP CCOCc1cc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)ccc1OC ZINC000904471442 860464417 /nfs/dbraw/zinc/46/44/17/860464417.db2.gz BCKUSUYOBVBNCM-OFNKIYASSA-N 2 0 382.504 3.577 20 10 GHCDRP COCC[N@H+](C)CCCC1CC[NH+](Cc2cc(Cl)cc(C(C)=O)c2O)CC1 ZINC000766977356 872132913 /nfs/dbraw/zinc/13/29/13/872132913.db2.gz XABAPJRXYCLBPG-UHFFFAOYSA-N 2 0 396.959 3.819 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH+]3CCC(c4nc5ccccc5[nH]4)CC3)cc2)CC1 ZINC000775646264 872245835 /nfs/dbraw/zinc/24/58/35/872245835.db2.gz WBJDVAPVCFZEKL-UHFFFAOYSA-N 2 0 389.547 3.694 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3ccccc3N(C)C)cc2F)CC1 ZINC000769685155 874207001 /nfs/dbraw/zinc/20/70/01/874207001.db2.gz BUSRSAMVBPWIBN-GOSISDBHSA-N 2 0 384.543 3.884 20 10 GHCDRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3ccc(N4CCC(O)CC4)cc3)CC2)C1 ZINC000850566498 877033225 /nfs/dbraw/zinc/03/32/25/877033225.db2.gz OJNOWSUHVOGYGV-CVDCTZTESA-N 2 0 385.596 3.780 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCCC[C@H]3[C@H]3CCOC3)cc2F)CC1 ZINC000788987969 878497116 /nfs/dbraw/zinc/49/71/16/878497116.db2.gz OOJSMNIBVBJCKJ-JAXLGGSGSA-N 2 0 389.559 3.653 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@@H](c4ccnn4C)C3)cc2F)CC1 ZINC000790485797 879758930 /nfs/dbraw/zinc/75/89/30/879758930.db2.gz JVONRGKZJDYAIV-WOJBJXKFSA-N 2 0 399.558 3.517 20 10 GHCDRP Cc1cc(Cl)cc([C@H](C)[NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)c1O ZINC000808700547 886721931 /nfs/dbraw/zinc/72/19/31/886721931.db2.gz HDGJMBLKNAICEU-HNNXBMFYSA-N 2 0 395.975 3.631 20 10 GHCDRP Fc1cc(C[NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)cc(F)c1F ZINC000125498642 892714630 /nfs/dbraw/zinc/71/46/30/892714630.db2.gz AXQLDDYQAQKHQB-UHFFFAOYSA-N 2 0 389.465 3.926 20 10 GHCDRP C[N@@H+](Cc1ccc(N2CCC(O)CC2)cc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000876725944 893302269 /nfs/dbraw/zinc/30/22/69/893302269.db2.gz RBITWNOKBYMEIY-HSZRJFAPSA-N 2 0 393.575 3.602 20 10 GHCDRP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000876942859 893396289 /nfs/dbraw/zinc/39/62/89/893396289.db2.gz HHYLUHGHRMUYMV-UHFFFAOYSA-N 2 0 381.564 3.779 20 10 GHCDRP CN(C)CC[NH+]1CCC(C[NH2+][C@@H](CCc2ccccc2)c2ccccc2O)CC1 ZINC000815576236 894013686 /nfs/dbraw/zinc/01/36/86/894013686.db2.gz MMPSZSZDRZXWLE-DEOSSOPVSA-N 2 0 395.591 3.929 20 10 GHCDRP Oc1ccccc1[C@@H](CCc1ccccc1)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000817983977 895993647 /nfs/dbraw/zinc/99/36/47/895993647.db2.gz SWXDIWHNMHBPCT-UBVWURDFSA-N 2 0 393.575 3.872 20 10 GHCDRP C[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000778643774 897842081 /nfs/dbraw/zinc/84/20/81/897842081.db2.gz WIOJERSTNKTZSH-UGKGYDQZSA-N 2 0 397.538 3.663 20 10 GHCDRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3ccc(OCc4ccccc4)cc3O)C2)C1 ZINC000844903325 901486446 /nfs/dbraw/zinc/48/64/46/901486446.db2.gz XOACBWZLRFDHOW-IMSXRSKXSA-N 2 0 396.531 3.690 20 10 GHCDRP COc1cccc([C@H](C)[NH2+]CCCC[NH+]2CCN(c3cccc(C)c3)CC2)c1O ZINC000846139612 902745611 /nfs/dbraw/zinc/74/56/11/902745611.db2.gz XSPFJNMGPZCSHF-FQEVSTJZSA-N 2 0 397.563 3.962 20 10 GHCDRP CC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccc(N(C)C)cc1 ZINC000132700560 903298064 /nfs/dbraw/zinc/29/80/64/903298064.db2.gz JJQUWWKVYXDELU-XMMPIXPASA-N 2 0 381.564 3.950 20 10 GHCDRP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1ccc(NC(=O)C2CC2)cc1 ZINC001177186221 908463986 /nfs/dbraw/zinc/46/39/86/908463986.db2.gz IVYJIIKDOJXQKI-SFHVURJKSA-N 2 0 392.547 3.638 20 10 GHCDRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC001179339005 909496844 /nfs/dbraw/zinc/49/68/44/909496844.db2.gz QEBAQTRJNARJAC-OFNKIYASSA-N 2 0 393.575 3.505 20 10 GHCDRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)C1 ZINC000246491555 910329192 /nfs/dbraw/zinc/32/91/92/910329192.db2.gz RZRZSEYQSXTDRO-RTBURBONSA-N 2 0 377.548 3.681 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H](c3ccccc3F)C3CCOCC3)cc2)CC1 ZINC000903217749 922862059 /nfs/dbraw/zinc/86/20/59/922862059.db2.gz ZEXDXAUXLVRJCP-XMMPIXPASA-N 2 0 397.538 3.835 20 10 GHCDRP Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC001116585196 933647899 /nfs/dbraw/zinc/64/78/99/933647899.db2.gz SOCVDOYRGWHTEP-NQIIRXRSSA-N 2 0 379.548 3.786 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@H](Sc4ccncc4)C3)cc2)CC1 ZINC001140304066 1021354585 /nfs/dbraw/zinc/35/45/85/1021354585.db2.gz GYMMUPXPZPMCFL-QHCPKHFHSA-N 2 0 396.604 3.980 20 10 GHCDRP OC1CCN(c2ccc(C[NH+]3CCC(C[NH+]4CCCCCC4)CC3)cc2)CC1 ZINC001204651248 1033013749 /nfs/dbraw/zinc/01/37/49/1033013749.db2.gz NGRUPIFZVLUKFJ-UHFFFAOYSA-N 2 0 385.596 3.736 20 10 GHCDRP COc1cc(O)c(C[N@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)c(OC)c1 ZINC001141028851 1023278346 /nfs/dbraw/zinc/27/83/46/1023278346.db2.gz CGUNCSNGMRJDLL-UHFFFAOYSA-N 2 0 384.520 3.753 20 10 GHCDRP CC[NH+]1CCC(CC2CC[NH+](Cc3c(O)cc(OC)cc3OC)CC2)CC1 ZINC001141030964 1023296410 /nfs/dbraw/zinc/29/64/10/1023296410.db2.gz SKVPKXVLDPNRDJ-UHFFFAOYSA-N 2 0 376.541 3.743 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH+]3CCC(O)(c4ccc(Cl)cc4)CC3)cc2)CC1 ZINC001139404610 1026277168 /nfs/dbraw/zinc/27/71/68/1026277168.db2.gz QREHQVCQAYXLAD-UHFFFAOYSA-N 2 0 399.966 3.575 20 10 GHCDRP Cc1ccccc1OC1CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC001139404717 1026277191 /nfs/dbraw/zinc/27/71/91/1026277191.db2.gz XTIZMRBHKWQYOF-UHFFFAOYSA-N 2 0 379.548 3.790 20 10 GHCDRP COc1ccc(N2CC[NH+](CCCNc3ccc(C)cc3C[NH+](C)C)CC2)cc1 ZINC001164336024 1026488966 /nfs/dbraw/zinc/48/89/66/1026488966.db2.gz OFJFVMMDIKJZKZ-UHFFFAOYSA-N 2 0 396.579 3.689 20 10 GHCDRP COc1ccc(N2CCC([NH2+]C[C@@H]3C[N@H+](C)C[C@H]3c3ccccc3)CC2)cc1 ZINC000842765666 1029573055 /nfs/dbraw/zinc/57/30/55/1029573055.db2.gz YKTWVLNJHDGICP-YKSBVNFPSA-N 2 0 379.548 3.599 20 10 GHCDRP FC(F)(F)Oc1ccc(N2CC[NH+]([C@H]3CCC[C@@]4(CC[NH2+]C4)C3)CC2)cc1 ZINC001246995750 1037820020 /nfs/dbraw/zinc/82/00/20/1037820020.db2.gz MJNHMVMUAHFSDU-PKOBYXMFSA-N 2 0 383.458 3.630 20 10 GHCDRP CN(C)c1ccc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c(O)c1 ZINC001232842275 1038592665 /nfs/dbraw/zinc/59/26/65/1038592665.db2.gz UWIXZDHNIJRGNP-LEWJYISDSA-N 2 0 379.548 3.802 20 10 GHCDRP CCCC[C@@H](CC)COC[C@H](O)C[NH2+]C1CC[NH+](Cc2ccccc2O)CC1 ZINC001253032785 1039368113 /nfs/dbraw/zinc/36/81/13/1039368113.db2.gz XNIOTIWNDYJVJC-DENIHFKCSA-N 2 0 392.584 3.540 20 10 GHCDRP CC[NH+](CC)CCCN1CC[NH+](Cc2cccc(-c3ccccc3)c2O)CC1 ZINC001234993700 1040488075 /nfs/dbraw/zinc/48/80/75/1040488075.db2.gz AMYVQQMLYPJTGT-UHFFFAOYSA-N 2 0 381.564 3.909 20 10 GHCDRP CC[NH+]1CCN(c2ccc(CN3CC[NH2+]C[C@H]3c3ccc(Cl)cc3)cc2)CC1 ZINC001235812822 1041324977 /nfs/dbraw/zinc/32/49/77/1041324977.db2.gz CVLPBGGVAMVIHL-QHCPKHFHSA-N 2 0 398.982 3.628 20 10 GHCDRP CC[NH+]1CCN(c2ccc(CN3CC[NH2+]C[C@@H]3c3ccc(Cl)cc3)cc2)CC1 ZINC001235812820 1041325922 /nfs/dbraw/zinc/32/59/22/1041325922.db2.gz CVLPBGGVAMVIHL-HSZRJFAPSA-N 2 0 398.982 3.628 20 10 GHCDRP CCc1ccc(C[NH+]2CCC3(C[C@H]([N@H+](C)Cc4ccccn4)CO3)CC2)c(O)c1 ZINC001236785587 1041891430 /nfs/dbraw/zinc/89/14/30/1041891430.db2.gz KZUDWFLSROJNSD-QFIPXVFZSA-N 2 0 395.547 3.605 20 10 GHCDRP C[C@@H]1C[C@@H](NC2CC[NH+](Cc3ccccc3O)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256532747 1043466561 /nfs/dbraw/zinc/46/65/61/1043466561.db2.gz KCFDPNGCMJTFCP-YKSBVNFPSA-N 2 0 393.575 3.999 20 10 GHCDRP C[C@@H]1C[C@H](NC2CC[NH+](Cc3ccccc3O)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256532745 1043467472 /nfs/dbraw/zinc/46/74/72/1043467472.db2.gz KCFDPNGCMJTFCP-HYBUGGRVSA-N 2 0 393.575 3.999 20 10 GHCDRP C[C@H]([NH2+]CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1O ZINC001308901931 1050150062 /nfs/dbraw/zinc/15/00/62/1050150062.db2.gz KLDLUGNEPGEDPW-KRWDZBQOSA-N 2 0 383.492 3.906 20 10 GHCDRP Cc1ccccc1NC(=[NH2+])NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC001329225801 1050750376 /nfs/dbraw/zinc/75/03/76/1050750376.db2.gz NIHRUWBEBDJLRU-UHFFFAOYSA-N 2 0 377.536 3.663 20 10 GHCDRP Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001331383028 1051265839 /nfs/dbraw/zinc/26/58/39/1051265839.db2.gz ZUDHBLRPBIVKSC-ICSRJNTNSA-N 2 0 380.532 3.866 20 10 GHCDRP Cc1cc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c(C)n1-c1ccccc1C ZINC001464888620 1065261252 /nfs/dbraw/zinc/26/12/52/1065261252.db2.gz PCLFQNAOTRQHQJ-UHFFFAOYSA-N 2 0 398.595 3.748 20 10 GHCDRP [NH2+]=C(NCc1c(O)ccc2c1CCCC2)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849098098 1067726489 /nfs/dbraw/zinc/72/64/89/1067726489.db2.gz ANBGMEQPZIDOTK-UHFFFAOYSA-N 2 0 392.547 3.550 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3sc(C)nc3C)cc2F)CC1 ZINC000177971847 837479148 /nfs/dbraw/zinc/47/91/48/837479148.db2.gz TUNHVMMZRUUCOI-CQSZACIVSA-N 2 0 376.545 3.892 20 10 GHCDRP C[C@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000120977617 848673910 /nfs/dbraw/zinc/67/39/10/848673910.db2.gz BHGBMIRDLPTWST-INIZCTEOSA-N 2 0 389.490 3.714 20 10 GHCDRP COc1ccc(O)c([C@H](C)[NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000186228181 854767645 /nfs/dbraw/zinc/76/76/45/854767645.db2.gz RMJSEUFBJIGDTI-SFHVURJKSA-N 2 0 384.520 3.769 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3ccc(N(C)C)cc3)cc2F)CC1 ZINC000765850862 855657125 /nfs/dbraw/zinc/65/71/25/855657125.db2.gz CBYKFOFANCZGFO-SFHVURJKSA-N 2 0 384.543 3.884 20 10 GHCDRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000157919320 857865887 /nfs/dbraw/zinc/86/58/87/857865887.db2.gz BOESIPCADQTKOW-OALUTQOASA-N 2 0 377.548 3.825 20 10 GHCDRP CCN(C)c1ccc([C@@H](C)[NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)cc1 ZINC000765682580 860403915 /nfs/dbraw/zinc/40/39/15/860403915.db2.gz JUVDKTLKNHRVBD-HYBUGGRVSA-N 2 0 380.580 3.782 20 10 GHCDRP Cc1cc(Cl)cc(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c1O ZINC000775727289 873224586 /nfs/dbraw/zinc/22/45/86/873224586.db2.gz PRQYLTDRWOEUFV-UHFFFAOYSA-N 2 0 394.003 3.982 20 10 GHCDRP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000769344463 873989326 /nfs/dbraw/zinc/98/93/26/873989326.db2.gz YWBOHIMKCLAJAB-QHCPKHFHSA-N 2 0 379.548 3.661 20 10 GHCDRP CCCN(CCC)c1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1 ZINC000769523657 874130975 /nfs/dbraw/zinc/13/09/75/874130975.db2.gz CLVWGQUDNXIZLI-XUZZJYLKSA-N 2 0 386.628 3.771 20 10 GHCDRP COc1ccc(N2CCN(CCC[NH2+]Cc3ccc(F)cc3Cl)CC2)cc1 ZINC001199037844 874768675 /nfs/dbraw/zinc/76/86/75/874768675.db2.gz GORVATOQMCSFMJ-UHFFFAOYSA-N 2 0 391.918 3.790 20 10 GHCDRP CC[NH+]1CCN(Cc2ccc(C[NH2+]Cc3c(O)cc(C)cc3Cl)cc2)CC1 ZINC001199329181 874928479 /nfs/dbraw/zinc/92/84/79/874928479.db2.gz OTUIDLCWRYGODD-UHFFFAOYSA-N 2 0 387.955 3.781 20 10 GHCDRP Oc1ccc(Br)cc1C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000850362153 876850317 /nfs/dbraw/zinc/85/03/17/876850317.db2.gz ICGUQQPEMVTIQP-UHFFFAOYSA-N 2 0 390.325 3.552 20 10 GHCDRP COc1ccc(N2CC[C@@H]([NH2+]C3CC[NH+]([C@@H](C)Cc4ccccc4)CC3)C2)cc1 ZINC000850488061 876963536 /nfs/dbraw/zinc/96/35/36/876963536.db2.gz PSKATPAAXPPMSD-NZQKXSOJSA-N 2 0 393.575 3.959 20 10 GHCDRP COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000787333630 877322263 /nfs/dbraw/zinc/32/22/63/877322263.db2.gz WUEUJJCNUAADIE-QFIPXVFZSA-N 2 0 387.955 3.911 20 10 GHCDRP c1cc(N2CC[NH+](CC3CC3)CC2)ccc1C[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1 ZINC000788986151 878495648 /nfs/dbraw/zinc/49/56/48/878495648.db2.gz WHFDYFQSPJZQCF-PZUNEJSGSA-N 2 0 397.607 3.904 20 10 GHCDRP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000762648121 886615323 /nfs/dbraw/zinc/61/53/23/886615323.db2.gz HQBDDKJEQMYAGV-OALUTQOASA-N 2 0 377.548 3.968 20 10 GHCDRP Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000817934050 895965324 /nfs/dbraw/zinc/96/53/24/895965324.db2.gz AWVBCRGAFGMGHK-KUWBRRTOSA-N 2 0 379.548 3.838 20 10 GHCDRP COc1ccc(N2CC[C@H](C[NH2+][C@H](C)c3ccc(OCC[NH+](C)C)cc3)C2)cc1 ZINC000818345728 896125861 /nfs/dbraw/zinc/12/58/61/896125861.db2.gz XJZRESIGNHGNTA-WOJBJXKFSA-N 2 0 397.563 3.813 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H](C[C@@H]3CCOC3)c3ccccc3)cc2)CC1 ZINC000883290599 897455998 /nfs/dbraw/zinc/45/59/98/897455998.db2.gz ZJQXHTFZFDDTDK-URXFXBBRSA-N 2 0 379.548 3.696 20 10 GHCDRP C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000778643624 897841512 /nfs/dbraw/zinc/84/15/12/897841512.db2.gz UUFBAFTWMAFLOK-OFNKIYASSA-N 2 0 379.548 3.523 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCCOc4ccccc43)cc2F)CC1 ZINC000155293522 898572067 /nfs/dbraw/zinc/57/20/67/898572067.db2.gz FNXVOIGOEAYOCQ-OAQYLSRUSA-N 2 0 383.511 3.971 20 10 GHCDRP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1ccc(OC(F)F)cc1 ZINC001177180664 908461863 /nfs/dbraw/zinc/46/18/63/908461863.db2.gz DBDJGPCBAGYEDE-MRXNPFEDSA-N 2 0 375.463 3.891 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCO[C@@H](c4ccc(F)cc4)C3)cc2)CC1 ZINC000757970650 929874407 /nfs/dbraw/zinc/87/44/07/929874407.db2.gz MBUIVVYCZDUJSC-JTHBVZDNSA-N 2 0 383.511 3.587 20 10 GHCDRP COc1ccc(N2CC[NH+](Cc3ccc(OCCC[NH+](C)C)cc3)CC2)c(C)c1 ZINC001204271122 1032715556 /nfs/dbraw/zinc/71/55/56/1032715556.db2.gz FNRQLZDKEADFIH-UHFFFAOYSA-N 2 0 397.563 3.656 20 10 GHCDRP CC[NH+]1CCN(c2ccc(CN3CCC4(CCC[N@@H+]4CC4CC4)CC3)cc2)CC1 ZINC001140303630 1021352773 /nfs/dbraw/zinc/35/27/73/1021352773.db2.gz PGHVZIOEBRTJLV-UHFFFAOYSA-N 2 0 396.623 3.669 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3CCCC[C@@H]3CC[NH+]3CCCC3)cc2)CC1 ZINC001140304098 1021354010 /nfs/dbraw/zinc/35/40/10/1021354010.db2.gz HZOKCLUUXUYDEL-HSZRJFAPSA-N 3 0 384.612 3.669 20 10 GHCDRP COc1cccc(C[NH+]2CCC3(CC2)CC[NH+](Cc2cc(O)ccc2O)CC3)c1 ZINC001141157251 1023982925 /nfs/dbraw/zinc/98/29/25/1023982925.db2.gz FAFOQLKBRYHGIK-UHFFFAOYSA-N 2 0 396.531 3.985 20 10 GHCDRP CCOC(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3c(C)n(C)c4ccccc34)CC2)C1 ZINC001138253756 1024474190 /nfs/dbraw/zinc/47/41/90/1024474190.db2.gz FTWIFLQZAZKLHX-LJQANCHMSA-N 2 0 397.563 3.726 20 10 GHCDRP C[N@H+]1CC=C(C[NH2+]Cc2ccc(N3CCCCC3)c(Br)c2)CC1 ZINC000838986713 1025502681 /nfs/dbraw/zinc/50/26/81/1025502681.db2.gz VJSDYIUMEDOBCR-UHFFFAOYSA-N 2 0 378.358 3.791 20 10 GHCDRP COc1cc(C[NH+]2CCC3(CC(=O)c4ccccc43)CC2)cc(C[NH+](C)C)c1O ZINC001139260648 1026109845 /nfs/dbraw/zinc/10/98/45/1026109845.db2.gz ODWISKXHCZWWLD-UHFFFAOYSA-N 2 0 394.515 3.583 20 10 GHCDRP COc1ccc(C[NH+]2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)c(O)c1 ZINC001203623928 1027486606 /nfs/dbraw/zinc/48/66/06/1027486606.db2.gz YJJFZXUEJRCKBO-UHFFFAOYSA-N 2 0 381.520 3.672 20 10 GHCDRP [NH3+]C1CCN(c2cccc(NCc3cc(Cl)c4cccnc4c3O)[nH+]2)CC1 ZINC001157726725 1033741093 /nfs/dbraw/zinc/74/10/93/1033741093.db2.gz WDORGDDTFUGTAL-UHFFFAOYSA-N 2 0 383.883 3.528 20 10 GHCDRP Cc1cc(Br)cc(C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)c1O ZINC001206755776 1033970506 /nfs/dbraw/zinc/97/05/06/1033970506.db2.gz PFVDEOUQHFFWEE-UHFFFAOYSA-N 2 0 389.337 3.956 20 10 GHCDRP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CC[NH+](Cc1cccc(C)c1O)CC2 ZINC001231591897 1034745410 /nfs/dbraw/zinc/74/54/10/1034745410.db2.gz IREFEDNWCHZFIJ-QFIPXVFZSA-N 2 0 395.547 3.599 20 10 GHCDRP COc1cc(N(C)C)ccc1C[NH+]1CCC2(CC[N@H+](Cc3ccoc3)C2)CC1 ZINC001231852697 1034943574 /nfs/dbraw/zinc/94/35/74/1034943574.db2.gz LWJFLUAWJKJTQU-UHFFFAOYSA-N 2 0 383.536 3.842 20 10 GHCDRP C[C@@H](Cc1cccc(Br)c1)[NH2+]Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001246176880 1037224436 /nfs/dbraw/zinc/22/44/36/1037224436.db2.gz YBWJGNKOZWYHPG-INIZCTEOSA-N 2 0 388.353 3.580 20 10 GHCDRP FC(F)(F)Oc1ccc(N2CC[NH+]([C@H]3CCC4(C3)CC[NH2+]CC4)CC2)cc1 ZINC001246995826 1037820517 /nfs/dbraw/zinc/82/05/17/1037820517.db2.gz MZHRXJPYCJIEED-KRWDZBQOSA-N 2 0 383.458 3.630 20 10 GHCDRP COc1ccccc1CC1CC[NH+](Cc2ccc(N3CC[NH2+]CC3)cc2)CC1 ZINC001235439782 1040937541 /nfs/dbraw/zinc/93/75/41/1040937541.db2.gz BKNOKIJPDCOFJZ-UHFFFAOYSA-N 2 0 379.548 3.560 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3CCN[C@H](c4ccc(Cl)cc4)C3)cc2)CC1 ZINC001235792819 1041288476 /nfs/dbraw/zinc/28/84/76/1041288476.db2.gz OIDRPEXDHRWBGR-QHCPKHFHSA-N 2 0 398.982 3.628 20 10 GHCDRP CC[C@H]1CO[C@](C)(CCC(C)C)[N@@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001235964151 1041468911 /nfs/dbraw/zinc/46/89/11/1041468911.db2.gz ZXVHMNDEMSYRND-SIKLNZKXSA-N 2 0 375.557 3.565 20 10 GHCDRP CC(C)c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)c(O)c1 ZINC001237048569 1042008006 /nfs/dbraw/zinc/00/80/06/1042008006.db2.gz LDHVDJOLBDSROC-ISKFKSNPSA-N 2 0 395.547 3.634 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH+]3CCC4(Cc5ccccc5N4)CC3)cc2)CC1 ZINC001237342447 1042158002 /nfs/dbraw/zinc/15/80/02/1042158002.db2.gz CZOJTODFWFSPAJ-UHFFFAOYSA-N 2 0 390.575 3.831 20 10 GHCDRP COc1cc(C[NH+]2CCN(c3cc(C)[nH+]c4ccccc43)CC2)c(O)c(OC)c1 ZINC001237674898 1042317226 /nfs/dbraw/zinc/31/72/26/1042317226.db2.gz MWCHNNGZXVXXGU-UHFFFAOYSA-N 2 0 393.487 3.588 20 10 GHCDRP CCN(CC)[C@H](C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1ccsc1 ZINC001308199517 1049910359 /nfs/dbraw/zinc/91/03/59/1049910359.db2.gz SOOSPWSAZQCJEX-JOCHJYFZSA-N 2 0 386.609 3.673 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH2+]CCOc3ccccc3C(F)(F)F)cc2)CC1 ZINC001308258791 1049928869 /nfs/dbraw/zinc/92/88/69/1049928869.db2.gz QDINVAPYRZKQMC-UHFFFAOYSA-N 2 0 393.453 3.626 20 10 GHCDRP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000132795852 835423320 /nfs/dbraw/zinc/42/33/20/835423320.db2.gz GNGRAQYFSKLPRR-OALUTQOASA-N 2 0 389.559 3.968 20 10 GHCDRP [NH3+]CC1(N(Cc2ccccc2)c2ccc3c(c2)C[N@@H+](Cc2ccccc2)C3)COC1 ZINC001167378617 839255025 /nfs/dbraw/zinc/25/50/25/839255025.db2.gz XOYIMQUCLAKZHK-UHFFFAOYSA-N 2 0 399.538 3.937 20 10 GHCDRP CCN(Cc1ccccc1)c1ccc(C[NH2+]C2CCN(CC[NH+](C)C)CC2)cc1 ZINC000236964618 845066522 /nfs/dbraw/zinc/06/65/22/845066522.db2.gz UIWHXUDDKWYIMJ-UHFFFAOYSA-N 2 0 394.607 3.829 20 10 GHCDRP CCN(Cc1ccccc1)c1ccc(C[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000236965651 845078719 /nfs/dbraw/zinc/07/87/19/845078719.db2.gz WUSYWHXBPXXZEX-JOCHJYFZSA-N 2 0 394.607 3.686 20 10 GHCDRP CC[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccc(C)cc1O ZINC000280014786 846259356 /nfs/dbraw/zinc/25/93/56/846259356.db2.gz GYEKTOQJURWTIO-UNMCSNQZSA-N 2 0 395.547 3.639 20 10 GHCDRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000760713548 854574875 /nfs/dbraw/zinc/57/48/75/854574875.db2.gz PJXGQKRIZVYRGL-ZZYHAFTGSA-N 2 0 393.575 3.769 20 10 GHCDRP CC[NH+](CC)CCCC1CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000783596631 866219138 /nfs/dbraw/zinc/21/91/38/866219138.db2.gz ZIHMMFYNWFRDGG-UHFFFAOYSA-N 3 0 386.628 3.772 20 10 GHCDRP COc1cc(O)c(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)cc1OC ZINC000768466003 873330940 /nfs/dbraw/zinc/33/09/40/873330940.db2.gz VDTXQZVLFGWOSV-UHFFFAOYSA-N 2 0 396.531 3.898 20 10 GHCDRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000771817681 875494429 /nfs/dbraw/zinc/49/44/29/875494429.db2.gz COCJMGVVOKXSSS-UHFFFAOYSA-N 3 0 380.580 3.568 20 10 GHCDRP Cc1cc(C)n(-c2ccccc2C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC001201415598 875677908 /nfs/dbraw/zinc/67/79/08/875677908.db2.gz FDTGBTISCNSFQQ-UHFFFAOYSA-N 2 0 389.547 3.531 20 10 GHCDRP COc1cc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c(O)c(C(C)(C)C)c1 ZINC000850357788 876848674 /nfs/dbraw/zinc/84/86/74/876848674.db2.gz VHXMOAJKMRZPTM-HXUWFJFHSA-N 2 0 398.547 3.555 20 10 GHCDRP C[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1ccc(Br)cc1O ZINC000850483144 876957067 /nfs/dbraw/zinc/95/70/67/876957067.db2.gz NSSJQSMLKBYRBZ-CQSZACIVSA-N 2 0 397.357 3.696 20 10 GHCDRP Cc1cccc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)c1Br ZINC000786823886 876980181 /nfs/dbraw/zinc/98/01/81/876980181.db2.gz RIRBNYJBCLEOOS-UHFFFAOYSA-N 2 0 388.353 3.799 20 10 GHCDRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000746645933 877198144 /nfs/dbraw/zinc/19/81/44/877198144.db2.gz FWFBRQHEWNTGOX-LDJQZATESA-N 2 0 384.520 3.701 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+]C3CCC4(CCCO4)CC3)cc2F)CC1 ZINC000788245829 877945235 /nfs/dbraw/zinc/94/52/35/877945235.db2.gz AWRRYYNWGUEVFI-UHFFFAOYSA-N 2 0 375.532 3.549 20 10 GHCDRP c1cc(N2CC[NH+](CC3CC3)CC2)ccc1C[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1 ZINC000788986152 878495418 /nfs/dbraw/zinc/49/54/18/878495418.db2.gz WHFDYFQSPJZQCF-QLBJFCOMSA-N 2 0 397.607 3.904 20 10 GHCDRP c1ccc(C[N@H+]2C[C@H](C[NH2+]Cc3ccc4c(c3)CCO4)C3(C2)CCOCC3)cc1 ZINC000815149191 893522455 /nfs/dbraw/zinc/52/24/55/893522455.db2.gz CPVLVDFQAWVQFZ-QHCPKHFHSA-N 2 0 392.543 3.640 20 10 GHCDRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877525125 893667257 /nfs/dbraw/zinc/66/72/57/893667257.db2.gz ROWPMYXHBPJFBJ-UHFFFAOYSA-N 2 0 381.564 3.731 20 10 GHCDRP c1cc(N2CC[NH+](CC3CC3)CC2)ccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000817917816 895960889 /nfs/dbraw/zinc/96/08/89/895960889.db2.gz STRGMODYURIPCV-ISJGIBHGSA-N 3 0 396.623 3.619 20 10 GHCDRP COc1c([O-])c(C[NH2+]Cc2ccc(C[NH+]3CCC(C)CC3)cc2)ccc1[N+](=O)[O-] ZINC000774947202 914154619 /nfs/dbraw/zinc/15/46/19/914154619.db2.gz DBFHJDRHIYBSDB-UHFFFAOYSA-N 2 0 399.491 3.831 20 10 GHCDRP CN(C)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c(C(F)(F)F)c1 ZINC000844909391 901568144 /nfs/dbraw/zinc/56/81/44/901568144.db2.gz BCWQBWLRFYROOQ-KFKAGJAMSA-N 2 0 385.474 3.632 20 10 GHCDRP Oc1cc(O)c(C[N@@H+]2CCCC3(CC[NH+](Cc4ccccc4)CC3)C2)c(O)c1 ZINC001144515682 902319301 /nfs/dbraw/zinc/31/93/01/902319301.db2.gz DJWXKSPLQLFRJT-UHFFFAOYSA-N 2 0 382.504 3.682 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CC(C)(C)Oc4ccc(F)cc43)cc2)CC1 ZINC000846051597 902639249 /nfs/dbraw/zinc/63/92/49/902639249.db2.gz GZUKZOSLSHMATC-OAQYLSRUSA-N 2 0 383.511 3.970 20 10 GHCDRP CC[N@H+](CCC1CC[NH+](Cc2cc(OC)c(OC)cc2O)CC1)CC(C)C ZINC000773273235 904645465 /nfs/dbraw/zinc/64/54/65/904645465.db2.gz XOPRNVADOOJINR-UHFFFAOYSA-N 2 0 378.557 3.989 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCc4cc(F)c(F)c(F)c4C3)cc2)CC1 ZINC001171505592 904781966 /nfs/dbraw/zinc/78/19/66/904781966.db2.gz KFCSLFWRDCUIHI-KRWDZBQOSA-N 2 0 389.465 3.503 20 10 GHCDRP CN1CCN(c2ccc(C[NH2+]C(C)(C)CC[NH+]3CCCCCC3)cc2F)CC1 ZINC001178527656 909089324 /nfs/dbraw/zinc/08/93/24/909089324.db2.gz DUUWQUCXPYQUQQ-UHFFFAOYSA-N 2 0 390.591 3.712 20 10 GHCDRP C[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000774496583 911799400 /nfs/dbraw/zinc/79/94/00/911799400.db2.gz MPGFGAIDHRRPNS-INIZCTEOSA-N 2 0 377.960 3.702 20 10 GHCDRP CC[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1cc(Cl)ccc1O ZINC000775498510 918373857 /nfs/dbraw/zinc/37/38/57/918373857.db2.gz MFLBVTUPPXOEMB-LJQANCHMSA-N 2 0 389.927 3.578 20 10 GHCDRP CC[C@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1cc(Cl)ccc1O ZINC000775510994 918519593 /nfs/dbraw/zinc/51/95/93/918519593.db2.gz BYTVDZNWLQSRNP-SFHVURJKSA-N 2 0 395.975 3.713 20 10 GHCDRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(OCc2ccccc2)cc1O ZINC000753549558 929408796 /nfs/dbraw/zinc/40/87/96/929408796.db2.gz SLHIPNBSFQTJDD-JCTONOIOSA-N 2 0 396.531 3.655 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCCc4cn(C5CCCC5)nc43)cc2)CC1 ZINC000780765310 930594177 /nfs/dbraw/zinc/59/41/77/930594177.db2.gz AUOBDWMJNOIBJX-QHCPKHFHSA-N 2 0 393.579 3.917 20 10 GHCDRP Oc1ccc(-c2ccccc2)cc1C[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000781637425 930919115 /nfs/dbraw/zinc/91/91/15/930919115.db2.gz ARPDNVXLBWORAA-DEOSSOPVSA-N 2 0 388.511 3.916 20 10 GHCDRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)[C@H]2CCC[C@@H]21 ZINC000796774127 932062485 /nfs/dbraw/zinc/06/24/85/932062485.db2.gz DCTJVPGTICPYDS-XCLNPWKQSA-N 2 0 379.495 3.719 20 10 GHCDRP Cc1cc(C[NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)cc(Cl)n1 ZINC000797602453 932341650 /nfs/dbraw/zinc/34/16/50/932341650.db2.gz RQCCGPKJPZWGOR-UHFFFAOYSA-N 2 0 384.955 3.865 20 10 GHCDRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2CCc3cccc(O)c32)cc1OC ZINC000834519136 1021240600 /nfs/dbraw/zinc/24/06/00/1021240600.db2.gz QJJFBURYQBOJNX-LJQANCHMSA-N 2 0 384.520 3.899 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[N@H+](C)CCc3ccc(OC)c(OC)c3)cc2)CC1 ZINC001140301123 1021347006 /nfs/dbraw/zinc/34/70/06/1021347006.db2.gz ZZKQJKKJYIJDDQ-UHFFFAOYSA-N 2 0 397.563 3.520 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@H](Oc4ccccc4C)C3)cc2)CC1 ZINC001140304522 1021353798 /nfs/dbraw/zinc/35/37/98/1021353798.db2.gz SQFNEKNHKFWUTN-QHCPKHFHSA-N 2 0 379.548 3.790 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[N@H+](C)[C@@H](C)Cc3ccccc3OC)cc2)CC1 ZINC001140306209 1021361944 /nfs/dbraw/zinc/36/19/44/1021361944.db2.gz PFJKVPYOEWMBPX-FQEVSTJZSA-N 2 0 381.564 3.900 20 10 GHCDRP CC[N@H+](Cc1ccc(N2CC[NH+](CC)CC2)cc1)Cc1ccc2c(c1)OCO2 ZINC001140309691 1021370033 /nfs/dbraw/zinc/37/00/33/1021370033.db2.gz QTEDDBFLAAHKQM-UHFFFAOYSA-N 2 0 381.520 3.579 20 10 GHCDRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)c2c1c(F)ccc2O ZINC000756551853 1023710584 /nfs/dbraw/zinc/71/05/84/1023710584.db2.gz YMFQPTXTWWYISY-FOIQADDNSA-N 2 0 384.495 3.826 20 10 GHCDRP Cc1c(CN2CCC3(CCC[N@H+]3Cc3cnn(C)c3)CC2)c2ccccc2n1C ZINC001138255477 1024479311 /nfs/dbraw/zinc/47/93/11/1024479311.db2.gz IJXBZKPWOJPVIJ-UHFFFAOYSA-N 2 0 391.563 3.851 20 10 GHCDRP COc1cc(C[NH+]2CCC(Sc3ccncc3)CC2)cc(C[NH+](C)C)c1O ZINC001139258583 1026110182 /nfs/dbraw/zinc/11/01/82/1026110182.db2.gz UCVARAGQQSJGAE-UHFFFAOYSA-N 2 0 387.549 3.614 20 10 GHCDRP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)Cc1cccc(OC(F)(F)F)c1 ZINC001139411535 1026283526 /nfs/dbraw/zinc/28/35/26/1026283526.db2.gz QVELECWFEZXINB-UHFFFAOYSA-N 2 0 393.453 3.969 20 10 GHCDRP COc1ccc(O)c(C[NH+]2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)c1 ZINC001203673289 1027522998 /nfs/dbraw/zinc/52/29/98/1027522998.db2.gz UGZDKGJRIIRJED-UHFFFAOYSA-N 2 0 381.520 3.672 20 10 GHCDRP CC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)c1ccc(C)cc1O ZINC000840889652 1027924842 /nfs/dbraw/zinc/92/48/42/1027924842.db2.gz UAIBSJGYIPMFEQ-JOCHJYFZSA-N 2 0 395.547 3.639 20 10 GHCDRP CCN(CC)c1ccc(C[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000840970281 1028004316 /nfs/dbraw/zinc/00/43/16/1028004316.db2.gz SSQAOLNWZJEFDF-UHFFFAOYSA-N 2 0 381.564 3.650 20 10 GHCDRP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000842920448 1029686099 /nfs/dbraw/zinc/68/60/99/1029686099.db2.gz IOKFJUCNCOBBTE-QIJUGHKUSA-N 2 0 397.538 3.658 20 10 GHCDRP c1ccc(COc2ccc(N3CC[NH+]([C@H]4CCC5(C[NH2+]C5)C4)CC3)cc2)cc1 ZINC001247004369 1037829066 /nfs/dbraw/zinc/82/90/66/1037829066.db2.gz PKZFYOIAHYJCRR-QFIPXVFZSA-N 2 0 377.532 3.530 20 10 GHCDRP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@H]2C[NH+](Cc3cc(O)c(O)cc3O)C[C@@H]21 ZINC001233484305 1039381205 /nfs/dbraw/zinc/38/12/05/1039381205.db2.gz GBWSZHVXRBUJCN-JCGIZDLHSA-N 2 0 388.533 3.597 20 10 GHCDRP C[NH+]1CCC(CN2CC[NH+](Cc3cccc(-c4ccccc4)c3O)CC2)CC1 ZINC001234998864 1040492186 /nfs/dbraw/zinc/49/21/86/1040492186.db2.gz OSXGDLYFIPXQMO-UHFFFAOYSA-N 2 0 379.548 3.519 20 10 GHCDRP Oc1cccc(OC(F)(F)F)c1C[NH+]1CCC2(CC1)C[NH2+]Cc1ccccc12 ZINC001235092536 1040581113 /nfs/dbraw/zinc/58/11/13/1040581113.db2.gz VYHSELBUODMQLV-UHFFFAOYSA-N 2 0 392.421 3.928 20 10 GHCDRP CCOc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(N3CC[NH2+]CC3)cc2O)cc1 ZINC001235840037 1041368479 /nfs/dbraw/zinc/36/84/79/1041368479.db2.gz JHTHBBTVFCGEPX-QFIPXVFZSA-N 2 0 381.520 3.538 20 10 GHCDRP CC[N@H+](Cc1ccc(Br)cc1)Cc1cc2c(cc1O)OCC[NH2+]C2 ZINC001235962064 1041468347 /nfs/dbraw/zinc/46/83/47/1041468347.db2.gz JMXJEOSBGCNVFQ-UHFFFAOYSA-N 2 0 391.309 3.659 20 10 GHCDRP COc1cc(O)c(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)cc1OC ZINC001236755666 1041873869 /nfs/dbraw/zinc/87/38/69/1041873869.db2.gz FVGLMCCGFIXZER-UXHICEINSA-N 2 0 396.531 3.753 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH+]3CCC(c4cccc(O)c4)CC3)c(F)c2)CC1 ZINC001236941453 1041966267 /nfs/dbraw/zinc/96/62/67/1041966267.db2.gz AKHWIADEILCQCB-UHFFFAOYSA-N 2 0 383.511 3.663 20 10 GHCDRP CCOc1ccc(C[NH+]2CCN(c3cc(C)[nH+]c4ccccc43)CC2)c(O)c1 ZINC001237048974 1042007704 /nfs/dbraw/zinc/00/77/04/1042007704.db2.gz BTWMLPSCBVGAMA-UHFFFAOYSA-N 2 0 377.488 3.970 20 10 GHCDRP Oc1ccc2cc(Br)ccc2c1C[N@@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237418179 1042199397 /nfs/dbraw/zinc/19/93/97/1042199397.db2.gz WTPXLPNPHJWZJT-KBXCAEBGSA-N 2 0 375.310 3.882 20 10 GHCDRP Cc1cc(F)cc(C[NH+]2CCC3(C[C@@H]([N@H+](C)Cc4ccco4)CO3)CC2)c1O ZINC001238059567 1042478183 /nfs/dbraw/zinc/47/81/83/1042478183.db2.gz ACVVYYVRQNPPCM-LJQANCHMSA-N 2 0 388.483 3.688 20 10 GHCDRP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001308918986 1050169824 /nfs/dbraw/zinc/16/98/24/1050169824.db2.gz PILAJUWKGLVZRG-FGZHOGPDSA-N 2 0 378.564 3.958 20 10 GHCDRP COc1ccc2c(c1)C1(CC1)CN(Cc1ccc(N3CCN(C)CC3)c(F)c1)C2 ZINC001330017004 1050940369 /nfs/dbraw/zinc/94/03/69/1050940369.db2.gz SYBHSBHJZRXKNB-UHFFFAOYSA-N 2 0 395.522 3.634 20 10 GHCDRP c1ccc(C[NH+]2CCN(CCC[NH2+]Cc3ccc(N4CCCC4)cc3)CC2)cc1 ZINC001318339431 1054575082 /nfs/dbraw/zinc/57/50/82/1054575082.db2.gz QKPFCUWFQXOLOH-UHFFFAOYSA-N 2 0 392.591 3.584 20 10 GHCDRP CN(C)c1cc(F)c(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)cc1F ZINC001474000979 1074231607 /nfs/dbraw/zinc/23/16/07/1074231607.db2.gz XXZPETWBWQVBRB-UHFFFAOYSA-N 2 0 389.490 3.795 20 10 GHCDRP Cc1ccc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)c(Br)c1 ZINC001474249440 1074309895 /nfs/dbraw/zinc/30/98/95/1074309895.db2.gz FQTBETVVGPZLOT-UHFFFAOYSA-N 2 0 388.353 3.799 20 10 GHCDRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000160342652 838518687 /nfs/dbraw/zinc/51/86/87/838518687.db2.gz VCMDRTPVXPZZNW-HXUWFJFHSA-N 2 0 380.580 3.741 20 10 GHCDRP CC[NH+]1CCN(c2ccccc2C[NH2+]Cc2c(C)c3ccccc3n2C)CC1 ZINC000475195940 854858882 /nfs/dbraw/zinc/85/88/82/854858882.db2.gz OOMUYHHSPPWUOI-UHFFFAOYSA-N 2 0 376.548 3.918 20 10 GHCDRP CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3c(O)cccc3Cl)C2)ccn1 ZINC000856560906 881445084 /nfs/dbraw/zinc/44/50/84/881445084.db2.gz PXRNFGNFZHLOAZ-SFHVURJKSA-N 2 0 389.927 3.934 20 10 GHCDRP Oc1ccc(Br)cc1C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000904475742 860467735 /nfs/dbraw/zinc/46/77/35/860467735.db2.gz QNXADSFOQDICOF-QFBILLFUSA-N 2 0 389.293 3.500 20 10 GHCDRP CCc1cc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c(O)c(C(C)(C)C)c1 ZINC000738168869 865500447 /nfs/dbraw/zinc/50/04/47/865500447.db2.gz BPINOPIZMOPGJR-OAQYLSRUSA-N 2 0 387.612 3.854 20 10 GHCDRP Cc1ccc(OC2CC[NH+](Cc3ccc(N4CC[NH+](C)CC4)cc3)CC2)cc1 ZINC000775653420 872385806 /nfs/dbraw/zinc/38/58/06/872385806.db2.gz FCOGYMRXZPPBNP-UHFFFAOYSA-N 2 0 379.548 3.790 20 10 GHCDRP c1ccc(N2CC[C@@H]([NH2+]Cc3ccc(N4CC[NH+](CC5CC5)CC4)cc3)C2)cc1 ZINC000768670997 873494605 /nfs/dbraw/zinc/49/46/05/873494605.db2.gz WFFKUFNMGXOYEX-HSZRJFAPSA-N 2 0 390.575 3.587 20 10 GHCDRP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000769344459 873988787 /nfs/dbraw/zinc/98/87/87/873988787.db2.gz YWBOHIMKCLAJAB-HSZRJFAPSA-N 2 0 379.548 3.661 20 10 GHCDRP CC(C)[NH+]1CCC(N2CC[NH+](Cc3ccc(N4CCCCC4)cc3)CC2)CC1 ZINC000769536634 874142318 /nfs/dbraw/zinc/14/23/18/874142318.db2.gz CABAFUQWMSAMPR-UHFFFAOYSA-N 2 0 384.612 3.667 20 10 GHCDRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cc2oc3ccccc3c2cc1O ZINC000746647359 877198395 /nfs/dbraw/zinc/19/83/95/877198395.db2.gz IILLTRYEJOFPNA-HFXUHXBXSA-N 2 0 380.488 3.975 20 10 GHCDRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2cc(F)ccc2O)CC1 ZINC000180687225 879197387 /nfs/dbraw/zinc/19/73/87/879197387.db2.gz POLIPOFUINMKQD-HNNXBMFYSA-N 2 0 375.463 3.663 20 10 GHCDRP C[C@@H](Cc1ccc(O)cc1)[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000816558778 894944360 /nfs/dbraw/zinc/94/43/60/894944360.db2.gz LHTRIDUDHMYNBK-IBGZPJMESA-N 2 0 379.548 3.645 20 10 GHCDRP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000817888655 895930764 /nfs/dbraw/zinc/93/07/64/895930764.db2.gz OCFOWKLJINXCIT-GMAHTHKFSA-N 2 0 395.572 3.585 20 10 GHCDRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000817903643 895956579 /nfs/dbraw/zinc/95/65/79/895956579.db2.gz SDZLBUQUARJTPP-AWEZNQCLSA-N 2 0 390.478 3.770 20 10 GHCDRP COCCC[NH+]1CCC([NH2+]Cc2ccc3c(c2)CCN3Cc2ccccc2)CC1 ZINC000796278367 914096327 /nfs/dbraw/zinc/09/63/27/914096327.db2.gz LKQPDRGTAVRAEY-UHFFFAOYSA-N 2 0 393.575 3.840 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H](c3ccc(F)cc3)c3cccnc3)cc2)CC1 ZINC000883290365 897456247 /nfs/dbraw/zinc/45/62/47/897456247.db2.gz SIZIURPUOMKWJO-DEOSSOPVSA-N 2 0 390.506 3.852 20 10 GHCDRP C[C@@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000120977783 899926251 /nfs/dbraw/zinc/92/62/51/899926251.db2.gz BHGBMIRDLPTWST-MRXNPFEDSA-N 2 0 389.490 3.714 20 10 GHCDRP COc1cc(C[NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)ccc1C ZINC000775018404 914551092 /nfs/dbraw/zinc/55/10/92/914551092.db2.gz WNVROFJROSLXLJ-UHFFFAOYSA-N 2 0 379.548 3.825 20 10 GHCDRP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@H]2C[NH+](Cc3c(O)cc(O)cc3O)C[C@H]21 ZINC001144509955 902309911 /nfs/dbraw/zinc/30/99/11/902309911.db2.gz OJBIIPOFOQVEOW-POZUXBRTSA-N 2 0 388.533 3.597 20 10 GHCDRP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000132796481 903310016 /nfs/dbraw/zinc/31/00/16/903310016.db2.gz GNGRAQYFSKLPRR-RTBURBONSA-N 2 0 389.559 3.968 20 10 GHCDRP Cc1cc(C)c([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)c(O)c1 ZINC000293679624 916325532 /nfs/dbraw/zinc/32/55/32/916325532.db2.gz KHQKBLGRDMWQLF-WIYYLYMNSA-N 2 0 395.547 3.557 20 10 GHCDRP C[C@H]1C[C@H](CC[NH2+]Cc2ccc(N3CCOCC3)cc2)C[N@@H+]1Cc1ccccc1 ZINC000753850161 929562567 /nfs/dbraw/zinc/56/25/67/929562567.db2.gz JVDFCPQXOFBMKF-URXFXBBRSA-N 2 0 393.575 3.914 20 10 GHCDRP C[C@H]1C[C@@H](CC[NH2+]Cc2ccc(N3CCOCC3)cc2)C[N@@H+]1Cc1ccccc1 ZINC000753850167 929563101 /nfs/dbraw/zinc/56/31/01/929563101.db2.gz JVDFCPQXOFBMKF-XUZZJYLKSA-N 2 0 393.575 3.914 20 10 GHCDRP CN1CC[NH+](CC2(C)CC[NH+](Cc3cc(-c4ccccc4)ccc3O)CC2)CC1 ZINC000757966043 929873735 /nfs/dbraw/zinc/87/37/35/929873735.db2.gz SVSYKCNIQHRGKR-UHFFFAOYSA-N 2 0 393.575 3.909 20 10 GHCDRP CC(C)n1ccc(C[C@H](C)[NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)n1 ZINC000783524042 931571765 /nfs/dbraw/zinc/57/17/65/931571765.db2.gz FKFOAYOUMWTSEZ-FQEVSTJZSA-N 2 0 395.595 3.717 20 10 GHCDRP CN(C)c1ccc(/C=C/C[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)cc1 ZINC000835033409 1021789918 /nfs/dbraw/zinc/78/99/18/1021789918.db2.gz SYECNRQWKXBTSV-ONEGZZNKSA-N 2 0 379.548 3.512 20 10 GHCDRP COc1cc(O)c(C[N@@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)c(OC)c1 ZINC001141031047 1023297067 /nfs/dbraw/zinc/29/70/67/1023297067.db2.gz VZCNGWNFODKXNA-KUIWHINRSA-N 2 0 398.547 3.804 20 10 GHCDRP CN1CCOc2cc(C[NH+]3CCC4(CC[N@H+](Cc5ccoc5)C4)CC3)ccc21 ZINC001141141838 1023572511 /nfs/dbraw/zinc/57/25/11/1023572511.db2.gz XWCJVNTVURYZIC-UHFFFAOYSA-N 2 0 381.520 3.596 20 10 GHCDRP COc1cc(CN(C)C2CC[NH+](C3CCCCC3)CC2)cc(C[NH+](C)C)c1O ZINC001139259829 1026110119 /nfs/dbraw/zinc/11/01/19/1026110119.db2.gz DFZNBFJSFRVIMK-UHFFFAOYSA-N 2 0 389.584 3.691 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH+]3CCC(COc4ccc(F)cc4)CC3)cc2)CC1 ZINC001139413374 1026285200 /nfs/dbraw/zinc/28/52/00/1026285200.db2.gz UIWADHHBSOIAIJ-UHFFFAOYSA-N 2 0 397.538 3.869 20 10 GHCDRP C[NH+]1CCC(C[NH2+]Cc2c(O)cccc2Br)(c2ccccc2)CC1 ZINC001203390361 1027304064 /nfs/dbraw/zinc/30/40/64/1027304064.db2.gz WNUUDUXIWHJPRI-UHFFFAOYSA-N 2 0 389.337 3.908 20 10 GHCDRP C[C@@H]1C[C@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)c2c1c(F)ccc2O ZINC000840883986 1027921116 /nfs/dbraw/zinc/92/11/16/1027921116.db2.gz IHDRPFCOVZQOIL-APWZRJJASA-N 2 0 384.495 3.696 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3CCCC[C@@]4(CCCC[NH2+]C4)C3)cc2)CC1 ZINC001222167683 1029985371 /nfs/dbraw/zinc/98/53/71/1029985371.db2.gz PBWZGWCXARLBII-XMMPIXPASA-N 3 0 384.612 3.574 20 10 GHCDRP Cc1ccc2c(c1)C1(CN2)CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC001222481963 1030160200 /nfs/dbraw/zinc/16/02/00/1030160200.db2.gz FFSMFBGCRPJMFU-UHFFFAOYSA-N 2 0 390.575 3.706 20 10 GHCDRP Cc1cc(C)c(C[NH+]2CCC3(C[C@H]([N@H+](C)Cc4ccccn4)CO3)CC2)c(O)c1 ZINC001231844757 1034938376 /nfs/dbraw/zinc/93/83/76/1034938376.db2.gz PHNAIAPYSGEKDN-NRFANRHFSA-N 2 0 395.547 3.660 20 10 GHCDRP Cc1cc(C)c(C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)c(O)c1 ZINC001231844477 1034938760 /nfs/dbraw/zinc/93/87/60/1034938760.db2.gz JGNNENWZQLAHAA-RDGATRHJSA-N 2 0 398.591 3.970 20 10 GHCDRP Cc1cc(O)c(C[N@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)cc1Cl ZINC001231869529 1034955994 /nfs/dbraw/zinc/95/59/94/1034955994.db2.gz PNTYKIWKADPSIH-UHFFFAOYSA-N 2 0 388.943 3.595 20 10 GHCDRP CN1CCC[C@H]2C[N@H+](Cc3c(O)ccc4cc(Br)ccc43)C[C@@H]21 ZINC001233195705 1038962095 /nfs/dbraw/zinc/96/20/95/1038962095.db2.gz ONHPKYQGPKSDJU-KSSFIOAISA-N 2 0 375.310 3.834 20 10 GHCDRP Cc1ccc(C[N@@H+]2CCCC3(CC[NH+](Cc4cc(O)c(O)cc4O)CC3)C2)cc1 ZINC001233484363 1039381381 /nfs/dbraw/zinc/38/13/81/1039381381.db2.gz INIWAQZHSXVKGI-UHFFFAOYSA-N 2 0 396.531 3.990 20 10 GHCDRP CC[NH+]1CCN(c2ccc(O[C@@H]3CCC[N@@H+]([C@@H](C)c4ccccn4)C3)cc2)CC1 ZINC001234660044 1040195171 /nfs/dbraw/zinc/19/51/71/1040195171.db2.gz CIBPUVCEINYURN-NZQKXSOJSA-N 2 0 394.563 3.828 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH+]3CCC4(CNc5ccccc54)CC3)cc2)CC1 ZINC001235142405 1040637354 /nfs/dbraw/zinc/63/73/54/1040637354.db2.gz FXZRBGLHYUZKAV-UHFFFAOYSA-N 2 0 390.575 3.788 20 10 GHCDRP Oc1cc(N2CC[NH2+]CC2)ccc1C[N@@H+]1CCc2ccccc2[C@@H]1c1ccccc1 ZINC001235792547 1041287983 /nfs/dbraw/zinc/28/79/83/1041287983.db2.gz DFHAYGARRQNOIB-SANMLTNESA-N 2 0 399.538 3.950 20 10 GHCDRP CCOc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(N3CC[NH2+]CC3)cc2O)cc1 ZINC001235840035 1041368169 /nfs/dbraw/zinc/36/81/69/1041368169.db2.gz JHTHBBTVFCGEPX-JOCHJYFZSA-N 2 0 381.520 3.538 20 10 GHCDRP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001462541268 1070343777 /nfs/dbraw/zinc/34/37/77/1070343777.db2.gz BVPFDTJTBBEUMZ-OAQYLSRUSA-N 2 0 397.563 3.567 20 10 GHCDRP COc1ccc(Br)c(C[N@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)c1O ZINC001236550331 1041758233 /nfs/dbraw/zinc/75/82/33/1041758233.db2.gz DDVMEWANMMVTKY-HDJSIYSDSA-N 2 0 385.346 3.891 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[N@H+](C3CCCC3)[C@H]3CC[C@H]([NH3+])CC3)cc2)CC1 ZINC001236571951 1041766449 /nfs/dbraw/zinc/76/64/49/1041766449.db2.gz NSYVTJLTLGIALL-SAIGFBBZSA-N 3 0 384.612 3.843 20 10 GHCDRP COc1cc(C[N@H+](Cc2cccc(C)c2)[C@H]2CC[C@H]([NH3+])CC2)c(O)c(OC)c1 ZINC001236740753 1041869030 /nfs/dbraw/zinc/86/90/30/1041869030.db2.gz GDZVBYSPHOPSEC-MXVIHJGJSA-N 2 0 384.520 3.990 20 10 GHCDRP CC(C)c1ccc(C[N@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)c(O)c1 ZINC001237049575 1042008991 /nfs/dbraw/zinc/00/89/91/1042008991.db2.gz XSHFDRCAVRCDJK-UHFFFAOYSA-N 2 0 382.552 3.756 20 10 GHCDRP [NH3+]C12CC(CC[NH+]3CCN(c4ccc(-c5nc6ccccc6o5)cc4)CC3)(C1)C2 ZINC001237256929 1042110975 /nfs/dbraw/zinc/11/09/75/1042110975.db2.gz CVEDTLAVWZILDW-UHFFFAOYSA-N 2 0 388.515 3.888 20 10 GHCDRP C[C@H]1C[C@@H](NC2CC[NH+](Cc3ccccc3O)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256532746 1043467922 /nfs/dbraw/zinc/46/79/22/1043467922.db2.gz KCFDPNGCMJTFCP-RDPSFJRHSA-N 2 0 393.575 3.999 20 10 GHCDRP Cc1c2ccccc2n(C)c1C[NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1 ZINC001308198421 1049909633 /nfs/dbraw/zinc/90/96/33/1049909633.db2.gz XIQOKRRZLPPJHO-UHFFFAOYSA-N 2 0 390.575 3.784 20 10 GHCDRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC001200820543 1056988802 /nfs/dbraw/zinc/98/88/02/1056988802.db2.gz IOFLPOCBQXBGOI-AUSIDOKSSA-N 2 0 397.538 3.663 20 10 GHCDRP CCCCOc1ccc(CC[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC001473936752 1074211462 /nfs/dbraw/zinc/21/14/62/1074211462.db2.gz GYQNCNDOPDIJIW-UHFFFAOYSA-N 2 0 381.564 3.950 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(Oc4ccccc4)nc3)cc2)CC1 ZINC001473969101 1074221203 /nfs/dbraw/zinc/22/12/03/1074221203.db2.gz MPFZGIKTABQPDZ-UHFFFAOYSA-N 2 0 388.515 3.916 20 10 GHCDRP CN1CCN(c2ccc(C[NH2+]CCCCCC(=O)OC(C)(C)C)cc2F)CC1 ZINC001474109387 1074265966 /nfs/dbraw/zinc/26/59/66/1074265966.db2.gz HXJHKHUAIADMHT-UHFFFAOYSA-N 2 0 393.547 3.569 20 10 GHCDRP COCC[N@H+](C)CCCC1CC[NH+](Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC001474349493 1074356790 /nfs/dbraw/zinc/35/67/90/1074356790.db2.gz UIHZXTMAAAFEKL-UHFFFAOYSA-N 2 0 383.527 3.601 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCc4c3cccc4OC)cc2F)CC1 ZINC000765850834 855657900 /nfs/dbraw/zinc/65/79/00/855657900.db2.gz BQVKUUZNYTWRCM-NRFANRHFSA-N 2 0 383.511 3.753 20 10 GHCDRP CCOc1ccc(C[N@@H+]2CC[C@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)c(O)c1 ZINC000856560183 881440934 /nfs/dbraw/zinc/44/09/34/881440934.db2.gz KZWDODFIZFXVNU-QFIPXVFZSA-N 2 0 399.535 3.679 20 10 GHCDRP CCN(C)c1ccc([C@H](C)[NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)cc1 ZINC000765682585 860404352 /nfs/dbraw/zinc/40/43/52/860404352.db2.gz JUVDKTLKNHRVBD-RDPSFJRHSA-N 2 0 380.580 3.782 20 10 GHCDRP CC[C@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000765684383 860405094 /nfs/dbraw/zinc/40/50/94/860405094.db2.gz VVFHURQPXGTOOF-BJKOFHAPSA-N 2 0 380.580 3.782 20 10 GHCDRP CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NC(C)(C)CCC[NH+](C)C)C1 ZINC000456167372 866167263 /nfs/dbraw/zinc/16/72/63/866167263.db2.gz KNWQZUSUHDHULN-UHFFFAOYSA-N 2 0 398.595 3.644 20 10 GHCDRP CC[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc(N(C)C)cc1 ZINC000182234854 872063060 /nfs/dbraw/zinc/06/30/60/872063060.db2.gz HJSUUNHPNCMOJI-RPWUZVMVSA-N 2 0 381.564 3.950 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@H]3c3ccc4c(c3)OCCO4)cc2)CC1 ZINC000775647367 872249102 /nfs/dbraw/zinc/24/91/02/872249102.db2.gz VVPDZWKKTNFTDR-JOCHJYFZSA-N 2 0 393.531 3.547 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@H]3CC(=O)c3ccccc3)cc2)CC1 ZINC000775720996 873144133 /nfs/dbraw/zinc/14/41/33/873144133.db2.gz ROXFZTYMACAFDY-QHCPKHFHSA-N 2 0 377.532 3.676 20 10 GHCDRP COc1ccccc1[C@@H](C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)OC(C)C ZINC000769933372 874374190 /nfs/dbraw/zinc/37/41/90/874374190.db2.gz KRPDBHXXUOLCER-XMMPIXPASA-N 2 0 397.563 3.703 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH2+]C3(CCOCc4ccccc4)CC3)cc2)CC1 ZINC000771867367 875505633 /nfs/dbraw/zinc/50/56/33/875505633.db2.gz ZHNBSMOJZORUHW-UHFFFAOYSA-N 2 0 379.548 3.668 20 10 GHCDRP CC1(C)[C@H]([NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)[C@H]2CCCO[C@@H]21 ZINC000776170184 875688817 /nfs/dbraw/zinc/68/88/17/875688817.db2.gz IQEVFPZPBRFCBR-ZLNRFVROSA-N 2 0 383.580 3.512 20 10 GHCDRP COC[C@@H](C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1ccc(Cl)cc1 ZINC001202457508 876213435 /nfs/dbraw/zinc/21/34/35/876213435.db2.gz QXPZUVDEEIMMRN-HXUWFJFHSA-N 2 0 387.955 3.612 20 10 GHCDRP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000762648126 886615273 /nfs/dbraw/zinc/61/52/73/886615273.db2.gz HQBDDKJEQMYAGV-RTBURBONSA-N 2 0 377.548 3.968 20 10 GHCDRP CC(C)OC(=O)C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000809764181 887806464 /nfs/dbraw/zinc/80/64/64/887806464.db2.gz UIGVTJKMTQYABY-QHCPKHFHSA-N 2 0 395.547 3.611 20 10 GHCDRP C[C@H](C[NH2+][C@H](CCc1ccccc1)c1ccccc1O)CN1CC[NH+](C)CC1 ZINC000815576762 894016208 /nfs/dbraw/zinc/01/62/08/894016208.db2.gz XZHZNMOJWFDWFB-NFBKMPQASA-N 2 0 381.564 3.539 20 10 GHCDRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2ccc3ccccc3c2O)CC1 ZINC000816610757 894972368 /nfs/dbraw/zinc/97/23/68/894972368.db2.gz XFRAEHHGVGYPTK-UHFFFAOYSA-N 2 0 397.563 3.606 20 10 GHCDRP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000817888654 895931123 /nfs/dbraw/zinc/93/11/23/895931123.db2.gz OCFOWKLJINXCIT-GGAORHGYSA-N 2 0 395.572 3.585 20 10 GHCDRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000817903645 895956191 /nfs/dbraw/zinc/95/61/91/895956191.db2.gz SDZLBUQUARJTPP-CQSZACIVSA-N 2 0 390.478 3.770 20 10 GHCDRP COc1cc(C)ccc1C[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000824037333 899355522 /nfs/dbraw/zinc/35/55/22/899355522.db2.gz KCIAHMQGJDVIPJ-UHFFFAOYSA-N 2 0 379.548 3.825 20 10 GHCDRP CN(Cc1cccs1)c1ccc(C[NH2+]CCN2CCC([NH+](C)C)CC2)cc1 ZINC000824099194 899374808 /nfs/dbraw/zinc/37/48/08/899374808.db2.gz RLVCCIKVINRLLI-UHFFFAOYSA-N 2 0 386.609 3.500 20 10 GHCDRP COc1cccc([C@@H](C)[NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)c1O ZINC000846158710 902726303 /nfs/dbraw/zinc/72/63/03/902726303.db2.gz KEIBLWXOMIUZKN-GOSISDBHSA-N 2 0 384.520 3.769 20 10 GHCDRP CN(Cc1ccccc1)CC(C)(C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC001178404883 909045470 /nfs/dbraw/zinc/04/54/70/909045470.db2.gz YEKCJAOLPOKCLD-UHFFFAOYSA-N 2 0 381.564 3.648 20 10 GHCDRP COc1ccc(C[NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)cc1F ZINC000092855762 911867238 /nfs/dbraw/zinc/86/72/38/911867238.db2.gz ULVNZAIOZUFVPF-UHFFFAOYSA-N 2 0 383.511 3.656 20 10 GHCDRP CN(C)c1ccc(C[NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)cc1 ZINC000092855925 911869036 /nfs/dbraw/zinc/86/90/36/911869036.db2.gz GLQNBAYYMRJRTA-UHFFFAOYSA-N 2 0 378.564 3.574 20 10 GHCDRP COC1CCN(c2ccc(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)cc2)CC1 ZINC000294977647 917077867 /nfs/dbraw/zinc/07/78/67/917077867.db2.gz OTZUUUKBIBIVOG-HYBUGGRVSA-N 2 0 383.580 3.751 20 10 GHCDRP C[NH+](C)CCC[C@H]1C[N@H+](Cc2ccc(OCc3ccccc3)cc2O)CCO1 ZINC000827855320 926083947 /nfs/dbraw/zinc/08/39/47/926083947.db2.gz AQUUZUNAFDLSNV-QFIPXVFZSA-N 2 0 384.520 3.514 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3cc(C)nc(Cl)c3)cc2F)CC1 ZINC000797600401 932340435 /nfs/dbraw/zinc/34/04/35/932340435.db2.gz STMQZYAGTULFNX-UHFFFAOYSA-N 2 0 376.907 3.614 20 10 GHCDRP C[C@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000927037209 932385462 /nfs/dbraw/zinc/38/54/62/932385462.db2.gz ICEQKTUWBBQOFM-QXAHSBQVSA-N 2 0 375.532 3.720 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H](Oc4cccc(F)c4)C3)cc2)CC1 ZINC001140309750 1021370476 /nfs/dbraw/zinc/37/04/76/1021370476.db2.gz STFAHNIXTWUCDA-HSZRJFAPSA-N 2 0 383.511 3.621 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H](c3ccccc3)C3(CO)CCCC3)cc2)CC1 ZINC000835064937 1021842250 /nfs/dbraw/zinc/84/22/50/1021842250.db2.gz DKZBJRZZTBYRAM-DEOSSOPVSA-N 2 0 393.575 3.822 20 10 GHCDRP C[C@@H]1C[C@@H]([NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)c2c1c(F)ccc2O ZINC000756606899 1023735144 /nfs/dbraw/zinc/73/51/44/1023735144.db2.gz FJUJFNMQPQKVPD-SJLPKXTDSA-N 2 0 375.532 3.620 20 10 GHCDRP CC[N@@H+]1CCCC[C@@H]1c1ccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)nc1 ZINC001156658823 1033161584 /nfs/dbraw/zinc/16/15/84/1033161584.db2.gz GWHHFZHTVYEIRU-HSZRJFAPSA-N 2 0 393.579 3.992 20 10 GHCDRP CCOC(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3c(C)n(C)c4ccccc34)CC2)C1 ZINC001138253755 1024473927 /nfs/dbraw/zinc/47/39/27/1024473927.db2.gz FTWIFLQZAZKLHX-IBGZPJMESA-N 2 0 397.563 3.726 20 10 GHCDRP COc1cccc(C[C@@H]2CCC[N@H+](Cc3cc(C[NH+](C)C)c(O)c(OC)c3)C2)c1 ZINC001139260035 1026110520 /nfs/dbraw/zinc/11/05/20/1026110520.db2.gz IGCMXJBPUIECEW-IBGZPJMESA-N 2 0 398.547 3.926 20 10 GHCDRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001203492129 1027379625 /nfs/dbraw/zinc/37/96/25/1027379625.db2.gz UJPVUJNLEMAALH-UHFFFAOYSA-N 3 0 394.607 3.686 20 10 GHCDRP COc1cc(Br)cc(C[N@H+](CCC[NH3+])Cc2ccccc2)c1O ZINC000843108205 1029812656 /nfs/dbraw/zinc/81/26/56/1029812656.db2.gz KQVBRANFBQLDAA-UHFFFAOYSA-N 2 0 379.298 3.514 20 10 GHCDRP [NH3+]C[C@@H]1C[N@H+](Cc2c(O)ccc3cc(Br)ccc32)CCC1(F)F ZINC001205788526 1033573065 /nfs/dbraw/zinc/57/30/65/1033573065.db2.gz ORUFWUDXPWGVAV-GFCCVEGCSA-N 2 0 385.252 3.724 20 10 GHCDRP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CC[NH+](Cc1cccc(C)c1O)CC2 ZINC001231591895 1034745953 /nfs/dbraw/zinc/74/59/53/1034745953.db2.gz IREFEDNWCHZFIJ-JOCHJYFZSA-N 2 0 395.547 3.599 20 10 GHCDRP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001246176302 1037224116 /nfs/dbraw/zinc/22/41/16/1037224116.db2.gz WHKVCIVMCMJIRY-INIZCTEOSA-N 2 0 377.454 3.836 20 10 GHCDRP c1ccc2oc(-c3ccc(N4CC[NH+]([C@@H]5CCC6(C[NH2+]C6)C5)CC4)cc3)nc2c1 ZINC001247008025 1037831868 /nfs/dbraw/zinc/83/18/68/1037831868.db2.gz XQPGHWXGGZNUCR-HXUWFJFHSA-N 2 0 388.515 3.759 20 10 GHCDRP C[N@H+](Cc1ccc(N2CCCC2)cc1)CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001254039025 1039968660 /nfs/dbraw/zinc/96/86/60/1039968660.db2.gz WOOCZPFBJSXGCT-UHFFFAOYSA-N 2 0 393.575 3.746 20 10 GHCDRP Oc1cc2ccccc2cc1C[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001254051199 1039975571 /nfs/dbraw/zinc/97/55/71/1039975571.db2.gz AZIBESINEBZODN-UHFFFAOYSA-N 2 0 376.500 3.662 20 10 GHCDRP CCN(CC)c1ccc(C[N@@H+]2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c(O)c1 ZINC001235355325 1040834079 /nfs/dbraw/zinc/83/40/79/1040834079.db2.gz OAIPRFIWBCMFDM-ISKFKSNPSA-N 2 0 379.548 3.818 20 10 GHCDRP Clc1cccc(OC2CC[NH+](Cc3ccc(N4CC[NH2+]CC4)cc3)CC2)c1 ZINC001235689433 1041160075 /nfs/dbraw/zinc/16/00/75/1041160075.db2.gz ZFZZNSLBJDGUTN-UHFFFAOYSA-N 2 0 385.939 3.793 20 10 GHCDRP CC[N@H+](Cc1cccc(C(F)(F)F)c1)Cc1cc2c(cc1O)OCC[NH2+]C2 ZINC001236285761 1041659578 /nfs/dbraw/zinc/65/95/78/1041659578.db2.gz FRXUJJYQHKDRIT-UHFFFAOYSA-N 2 0 380.410 3.915 20 10 GHCDRP Clc1cc(C[N@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)ccc1N1CCOCC1 ZINC001236375292 1041687694 /nfs/dbraw/zinc/68/76/94/1041687694.db2.gz IWBNRXJKGBBEMR-IBGZPJMESA-N 2 0 391.987 3.921 20 10 GHCDRP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccc(N3CCOCC3)cc2F)C2CCCC2)CC1 ZINC001236572382 1041766883 /nfs/dbraw/zinc/76/68/83/1041766883.db2.gz WVTMEFWUMQUUCU-KESTWPANSA-N 2 0 375.532 3.677 20 10 GHCDRP COc1cc(O)c(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)cc1OC ZINC001236755665 1041874017 /nfs/dbraw/zinc/87/40/17/1041874017.db2.gz FVGLMCCGFIXZER-PMACEKPBSA-N 2 0 396.531 3.753 20 10 GHCDRP COc1cccc(CCC[N@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2F)c1 ZINC001236941553 1041966274 /nfs/dbraw/zinc/96/62/74/1041966274.db2.gz CMHGHODQBXHSBF-UHFFFAOYSA-N 2 0 385.527 3.651 20 10 GHCDRP Oc1ccc(C(F)(F)F)cc1C[NH+]1CCC(COCC[NH+]2CCCC2)CC1 ZINC001237134714 1042056665 /nfs/dbraw/zinc/05/66/65/1042056665.db2.gz AGTAGUXIZIFOLV-UHFFFAOYSA-N 2 0 386.458 3.735 20 10 GHCDRP C[N@H+](Cc1cc(Cl)cc(Cl)c1)Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001237159526 1042070754 /nfs/dbraw/zinc/07/07/54/1042070754.db2.gz CBXGBKCJIWBKJZ-UHFFFAOYSA-N 2 0 380.319 3.741 20 10 GHCDRP Oc1cc(Cl)cc(C[NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)c1 ZINC001308334320 1049951587 /nfs/dbraw/zinc/95/15/87/1049951587.db2.gz XDUYLYCKLIVOIC-UHFFFAOYSA-N 2 0 385.939 3.867 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cccc(F)c3OC(F)(F)F)cc2)CC1 ZINC001308503453 1049992269 /nfs/dbraw/zinc/99/22/69/1049992269.db2.gz MXAVWIYXWJAUFY-UHFFFAOYSA-N 2 0 397.416 3.766 20 10 GHCDRP Cc1cccnc1[C@H]1CCC[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001308918989 1050169579 /nfs/dbraw/zinc/16/95/79/1050169579.db2.gz PILAJUWKGLVZRG-VXKWHMMOSA-N 2 0 378.564 3.958 20 10 GHCDRP Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC001323828479 1057020350 /nfs/dbraw/zinc/02/03/50/1057020350.db2.gz AAEXWFDEQATGKF-DUXKGJEZSA-N 2 0 380.532 3.995 20 10 GHCDRP CCN(C)c1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000182243427 839017172 /nfs/dbraw/zinc/01/71/72/839017172.db2.gz NKKXNBMIMQHOAM-NTKDMRAZSA-N 2 0 381.564 3.950 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3c(C)nn(C(C)C)c3C)cc2F)CC1 ZINC000892905738 839379009 /nfs/dbraw/zinc/37/90/09/839379009.db2.gz OSDRBYFYXFBONC-UHFFFAOYSA-N 2 0 387.547 3.652 20 10 GHCDRP C[C@H]1CCCCN1c1cccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)[nH+]1 ZINC001167431343 840048090 /nfs/dbraw/zinc/04/80/90/840048090.db2.gz UKLKAWVTPOKWQZ-IBGZPJMESA-N 2 0 379.552 3.824 20 10 GHCDRP CCN(Cc1ccccc1)c1ccc(C[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000236965928 845081080 /nfs/dbraw/zinc/08/10/80/845081080.db2.gz WUSYWHXBPXXZEX-QFIPXVFZSA-N 2 0 394.607 3.686 20 10 GHCDRP CN(c1ccccc1C[NH2+]CCCSc1nccs1)C1CC[NH+](C)CC1 ZINC000150944154 852818646 /nfs/dbraw/zinc/81/86/46/852818646.db2.gz ZWSFRJWCZNOBRV-UHFFFAOYSA-N 2 0 390.622 3.946 20 10 GHCDRP C[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000765948347 856779624 /nfs/dbraw/zinc/77/96/24/856779624.db2.gz ZGFKNXRQGNNCPV-AZUAARDMSA-N 2 0 388.575 3.635 20 10 GHCDRP C[NH+](C)Cc1cccc(C(=O)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)c1 ZINC000741280093 866355053 /nfs/dbraw/zinc/35/50/53/866355053.db2.gz VZMCWQXGORYVOQ-UHFFFAOYSA-N 2 0 392.547 3.533 20 10 GHCDRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(OC)cc(C(C)(C)C)c2O)[C@@H](C)C1 ZINC000850137631 876691856 /nfs/dbraw/zinc/69/18/56/876691856.db2.gz RASMCAJQKJKAEI-UWJYYQICSA-N 2 0 392.584 3.925 20 10 GHCDRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3ccc(N4CCCCC4)cc3)cc2)C1 ZINC000850357334 876848282 /nfs/dbraw/zinc/84/82/82/876848282.db2.gz GAMFHWIOTCIYJY-XMMPIXPASA-N 2 0 379.548 3.533 20 10 GHCDRP C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000850406556 876888049 /nfs/dbraw/zinc/88/80/49/876888049.db2.gz LFRXAXXABNYTBI-NZQKXSOJSA-N 2 0 393.575 3.790 20 10 GHCDRP COc1ccc(N2CC[C@H]([NH2+][C@H](C)c3cccc(OCC[NH+](C)C)c3)C2)cc1 ZINC000850487902 876964033 /nfs/dbraw/zinc/96/40/33/876964033.db2.gz JZKIAARJYOEJMC-QUCCMNQESA-N 2 0 383.536 3.565 20 10 GHCDRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000746645930 877198323 /nfs/dbraw/zinc/19/83/23/877198323.db2.gz FWFBRQHEWNTGOX-FXCLAUTBSA-N 2 0 384.520 3.701 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCCC[C@H]3[C@@H]3CCOC3)cc2F)CC1 ZINC000788987981 878496720 /nfs/dbraw/zinc/49/67/20/878496720.db2.gz OOJSMNIBVBJCKJ-RZUBCFFCSA-N 2 0 389.559 3.653 20 10 GHCDRP C[NH+]1CCN(c2ccc(CNc3[nH+]ccn3Cc3ccccc3Cl)cc2)CC1 ZINC000795803215 912848663 /nfs/dbraw/zinc/84/86/63/912848663.db2.gz HGOLWAACFNYURA-UHFFFAOYSA-N 2 0 395.938 3.949 20 10 GHCDRP Cc1cc(Cl)cc([C@H](C)[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)c1O ZINC000808699284 886722389 /nfs/dbraw/zinc/72/23/89/886722389.db2.gz CYORAAAXIHOWHB-KRWDZBQOSA-N 2 0 379.976 3.955 20 10 GHCDRP CC[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](CC)CC1)c1ccc(C(F)(F)F)cc1O ZINC000810215511 888293208 /nfs/dbraw/zinc/29/32/08/888293208.db2.gz GOKSGEUWFZCCRN-MAUKXSAKSA-N 2 0 387.490 3.725 20 10 GHCDRP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000876900049 893378597 /nfs/dbraw/zinc/37/85/97/893378597.db2.gz UWVRBNKFICGYSG-UHFFFAOYSA-N 2 0 381.564 3.779 20 10 GHCDRP CC[C@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)c1ccc(N(C)C)cc1 ZINC000817984591 895992794 /nfs/dbraw/zinc/99/27/94/895992794.db2.gz VCGCGCLVKHMGSA-QHCPKHFHSA-N 2 0 380.580 3.787 20 10 GHCDRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000773067141 904408078 /nfs/dbraw/zinc/40/80/78/904408078.db2.gz FFBUHAZRFHHZMI-IMRHEYAYSA-N 2 0 389.559 3.844 20 10 GHCDRP C[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001177748473 908735407 /nfs/dbraw/zinc/73/54/07/908735407.db2.gz BUDPSNLCYWYOHV-QGZVFWFLSA-N 2 0 383.511 3.753 20 10 GHCDRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000751150986 928050516 /nfs/dbraw/zinc/05/05/16/928050516.db2.gz DNGLGYBKBBBZME-DENIHFKCSA-N 2 0 397.538 3.805 20 10 GHCDRP Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000757856930 929827752 /nfs/dbraw/zinc/82/77/52/929827752.db2.gz INURXOCUNQHTGC-UHFFFAOYSA-N 2 0 394.519 3.725 20 10 GHCDRP CC[NH+](CC)CCCC1CC[NH+](Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000783594261 931590619 /nfs/dbraw/zinc/59/06/19/931590619.db2.gz FKEIKEZDDFHEPL-UHFFFAOYSA-N 2 0 391.575 3.996 20 10 GHCDRP C[N@@H+]1CC[C@H]([NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)[C@H]2CCC[C@@H]21 ZINC000796747268 932052207 /nfs/dbraw/zinc/05/22/07/932052207.db2.gz UUHFZGKEPGLOPE-AABGKKOBSA-N 2 0 379.495 3.719 20 10 GHCDRP Cc1cc(C[NH+]2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)ccc1N(C)C ZINC001139670940 935556226 /nfs/dbraw/zinc/55/62/26/935556226.db2.gz GVTFTFYALDLKNL-UHFFFAOYSA-N 2 0 378.564 3.944 20 10 GHCDRP CC[NH+]1CCN(c2ccc(CN(Cc3ccccc3)[C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC001236268635 1032592440 /nfs/dbraw/zinc/59/24/40/1032592440.db2.gz BQRKMKWOCXVVLI-RUZDIDTESA-N 2 0 392.591 3.583 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@H](Oc4cccc(F)c4)C3)cc2)CC1 ZINC001140309751 1021371335 /nfs/dbraw/zinc/37/13/35/1021371335.db2.gz STFAHNIXTWUCDA-QHCPKHFHSA-N 2 0 383.511 3.621 20 10 GHCDRP Cc1ccc(O)c(C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C2)c1 ZINC001140621087 1022094134 /nfs/dbraw/zinc/09/41/34/1022094134.db2.gz GYCBQCYKVMPAQP-UPVQGACJSA-N 2 0 384.564 3.661 20 10 GHCDRP COc1cc(O)c(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)c(OC)c1 ZINC001141032995 1023301464 /nfs/dbraw/zinc/30/14/64/1023301464.db2.gz WKYYOIXPWQUEIT-UXHICEINSA-N 2 0 396.531 3.753 20 10 GHCDRP CC[NH+]1CCC(CC2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)CC1 ZINC001138499407 1024932325 /nfs/dbraw/zinc/93/23/25/1024932325.db2.gz IGTTYDQRLWWVRJ-UHFFFAOYSA-N 2 0 385.596 3.857 20 10 GHCDRP COc1cc(C[NH+]2CCC(n3cnc4ccccc43)CC2)cc(C[NH+](C)C)c1O ZINC001139259485 1026110537 /nfs/dbraw/zinc/11/05/37/1026110537.db2.gz CUZUJISXIBGICJ-UHFFFAOYSA-N 2 0 394.519 3.649 20 10 GHCDRP COc1cccc(C[C@@H]2CCC[N@H+](Cc3ccc(N4CC[NH+](C)CC4)cc3)C2)c1 ZINC001139410925 1026282418 /nfs/dbraw/zinc/28/24/18/1026282418.db2.gz MASHBHVHQYAKHU-QHCPKHFHSA-N 2 0 393.575 3.902 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+]C[C@@H]3CCOc4ccccc43)cc2F)CC1 ZINC001461157857 1069417805 /nfs/dbraw/zinc/41/78/05/1069417805.db2.gz YYKNGQXHBVOGAM-IBGZPJMESA-N 2 0 383.511 3.624 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3nccc4ccccc43)cc2F)CC1 ZINC001461154701 1069415823 /nfs/dbraw/zinc/41/58/23/1069415823.db2.gz AJXOYLJKSTZKTA-UHFFFAOYSA-N 2 0 378.495 3.806 20 10 GHCDRP CCOc1cccc(C[NH+]2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c1O ZINC001203609819 1027475491 /nfs/dbraw/zinc/47/54/91/1027475491.db2.gz LKTKBJIGEJERPT-UHFFFAOYSA-N 2 0 381.520 3.674 20 10 GHCDRP Oc1ccc(Cl)cc1C[NH+]1CCC2(CC1)C[N@H+](Cc1ccccc1)CCO2 ZINC001203659666 1027516988 /nfs/dbraw/zinc/51/69/88/1027516988.db2.gz XFQLFNVVLQTBMM-UHFFFAOYSA-N 2 0 386.923 3.913 20 10 GHCDRP Oc1cc2c(cc1C[NH+]1CCC3(CCCc4ccccc43)CC1)C[NH2+]CCO2 ZINC001222615156 1030239242 /nfs/dbraw/zinc/23/92/42/1030239242.db2.gz LZPZLFGTTPXCAL-UHFFFAOYSA-N 2 0 378.516 3.744 20 10 GHCDRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1Oc1ccc(N2CC[NH2+]CC2)cc1 ZINC001218247563 1030850202 /nfs/dbraw/zinc/85/02/02/1030850202.db2.gz QKHAECYNGONRGB-QHCPKHFHSA-N 2 0 379.548 3.776 20 10 GHCDRP Cc1cccc(C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C2)c1O ZINC001231593669 1034749110 /nfs/dbraw/zinc/74/91/10/1034749110.db2.gz YKCLAWUCANZXMG-UPVQGACJSA-N 2 0 384.564 3.661 20 10 GHCDRP c1ccc(COC2CCC([NH2+]Cc3ccc(N4CC[NH2+]CC4)cc3)CC2)cc1 ZINC001246173243 1037222533 /nfs/dbraw/zinc/22/25/33/1037222533.db2.gz KPRBANQEIRIMLI-UHFFFAOYSA-N 2 0 379.548 3.714 20 10 GHCDRP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001246176303 1037224928 /nfs/dbraw/zinc/22/49/28/1037224928.db2.gz WHKVCIVMCMJIRY-MRXNPFEDSA-N 2 0 377.454 3.836 20 10 GHCDRP C[NH2+]C1CCC([NH+]2CCN(c3ccc(OCc4ccccc4)cc3)CC2)CC1 ZINC001247000166 1037824887 /nfs/dbraw/zinc/82/48/87/1037824887.db2.gz HHHYVUOLVAJMSZ-UHFFFAOYSA-N 2 0 379.548 3.918 20 10 GHCDRP Cc1ccc2c(c1)nc(-c1ccc(N3CC[NH+](C)CC3)cc1)n2C1CC[NH2+]CC1 ZINC001247039555 1037862257 /nfs/dbraw/zinc/86/22/57/1037862257.db2.gz WFVQVEMTAGICJF-UHFFFAOYSA-N 2 0 389.547 3.688 20 10 GHCDRP Oc1cc(C[NH+]2CCC3(CC[NH+](Cc4cccs4)CC3)CC2)cc(O)c1O ZINC001233012714 1038768614 /nfs/dbraw/zinc/76/86/14/1038768614.db2.gz QQYXQTKYLPUVGB-UHFFFAOYSA-N 2 0 388.533 3.743 20 10 GHCDRP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(C(F)(F)F)cc1O)C2 ZINC001233453131 1039338230 /nfs/dbraw/zinc/33/82/30/1039338230.db2.gz WMFQJULFAIUHTM-ICSRJNTNSA-N 2 0 398.469 3.591 20 10 GHCDRP Oc1ccc2cc(Br)ccc2c1C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001234999630 1040494763 /nfs/dbraw/zinc/49/47/63/1040494763.db2.gz NICLFJNTNMGUPN-LJQANCHMSA-N 2 0 375.310 3.883 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCC[N@H+](Cc4ccccc4)CC3)cc2)CC1 ZINC001255388412 1040976148 /nfs/dbraw/zinc/97/61/48/1040976148.db2.gz ZFNYXRFKVFIBRM-DEOSSOPVSA-N 3 0 392.591 3.583 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[N@H+](CC(C)(C)C)[C@H]3CC[C@H]([NH3+])CC3)c(F)c2)CC1 ZINC001236780901 1041888620 /nfs/dbraw/zinc/88/86/20/1041888620.db2.gz WPSAUOPPDCUFFM-MXVIHJGJSA-N 3 0 390.591 3.696 20 10 GHCDRP COc1ccc2c(c1)C[N@@H+](Cc1ccc(N3CC[NH+](C)CC3)cc1F)CCC2 ZINC001236944752 1041966001 /nfs/dbraw/zinc/96/60/01/1041966001.db2.gz FCSAVFBYXRVAMG-UHFFFAOYSA-N 2 0 383.511 3.535 20 10 GHCDRP COc1cc(O)c(C[NH+]2CCC(CC3CC[NH2+]CC3)CC2)cc1Br ZINC001236962306 1041971221 /nfs/dbraw/zinc/97/12/21/1041971221.db2.gz NFSZWYSPKJJWJG-UHFFFAOYSA-N 2 0 397.357 3.765 20 10 GHCDRP COC(=O)c1ccc([C@@H]2CCCC[N@@H+]2Cc2ccc(N3CC[NH2+]CC3)cc2)cc1 ZINC001237411921 1042197068 /nfs/dbraw/zinc/19/70/68/1042197068.db2.gz RBOHQHHALJNRMZ-QHCPKHFHSA-N 2 0 393.531 3.610 20 10 GHCDRP Cc1cc(F)cc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccccc2)CCO3)c1O ZINC001238062865 1042480060 /nfs/dbraw/zinc/48/00/60/1042480060.db2.gz XXJXVZOIURRHRV-UHFFFAOYSA-N 2 0 384.495 3.707 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(F)c(C(F)(F)F)c3)cc2)CC1 ZINC001308503873 1049992327 /nfs/dbraw/zinc/99/23/27/1049992327.db2.gz UTICCOUMZHJIQO-UHFFFAOYSA-N 2 0 381.417 3.886 20 10 GHCDRP Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC001323828482 1057020137 /nfs/dbraw/zinc/02/01/37/1057020137.db2.gz AAEXWFDEQATGKF-JRGCBEDISA-N 2 0 380.532 3.995 20 10 GHCDRP CN(C)c1ccc(C[NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)cc1F ZINC000733324844 862865720 /nfs/dbraw/zinc/86/57/20/862865720.db2.gz GIODWEJKJQPPOV-UHFFFAOYSA-N 2 0 398.570 3.579 20 10 GHCDRP C[C@@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000764675484 859562570 /nfs/dbraw/zinc/56/25/70/859562570.db2.gz BEBFCTXGGYUFSC-LJQANCHMSA-N 2 0 385.527 3.835 20 10 GHCDRP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccc(Cl)cc3O)C2)ccn1 ZINC001183046064 912215701 /nfs/dbraw/zinc/21/57/01/912215701.db2.gz SRQQWUFACIZNCM-IBGZPJMESA-N 2 0 375.900 3.546 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[N@@H+](Cc3cccs3)C[C@@H]3CCCO3)cc2)CC1 ZINC000775644176 872225824 /nfs/dbraw/zinc/22/58/24/872225824.db2.gz FLYZIQGUXCTKEZ-NRFANRHFSA-N 2 0 385.577 3.681 20 10 GHCDRP C[NH+]1CCN(c2ccc(CN3CCC[C@H](C[NH+]4CCCCCC4)C3)cc2)CC1 ZINC000775679187 872809715 /nfs/dbraw/zinc/80/97/15/872809715.db2.gz PYSZGCDZQZUTJG-HSZRJFAPSA-N 2 0 384.612 3.526 20 10 GHCDRP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@H]1CCCN(c2ccccc2)C1 ZINC000775708765 873038842 /nfs/dbraw/zinc/03/88/42/873038842.db2.gz OJZAADAREQCZQB-DEOSSOPVSA-N 2 0 378.564 3.539 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC(C(F)(F)F)(C(F)(F)F)C3)cc2)CC1 ZINC000775708609 873039152 /nfs/dbraw/zinc/03/91/52/873039152.db2.gz DBIWBCOJOIJYPM-UHFFFAOYSA-N 2 0 395.391 3.755 20 10 GHCDRP Oc1cc(Br)ccc1C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000691450258 873312949 /nfs/dbraw/zinc/31/29/49/873312949.db2.gz KKLMXZATUMZJNB-INIZCTEOSA-N 2 0 375.310 3.766 20 10 GHCDRP c1ccc(CN2CC[NH+](CCCC[NH2+]Cc3ccc4c(c3)CCCO4)CC2)cc1 ZINC001199403768 874971776 /nfs/dbraw/zinc/97/17/76/874971776.db2.gz ZWWXMYCZNJLHJV-UHFFFAOYSA-N 2 0 393.575 3.699 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH2+]CCc3c[nH]c4ccc(Cl)cc34)cc2)CC1 ZINC000771842326 875481408 /nfs/dbraw/zinc/48/14/08/875481408.db2.gz MPJRSHXNWVULEA-UHFFFAOYSA-N 2 0 382.939 3.905 20 10 GHCDRP C[N@@H+]1CCCN(CCC[NH2+][C@@H](CCc2ccccc2)c2ccccc2O)CC1 ZINC000776266483 876092456 /nfs/dbraw/zinc/09/24/56/876092456.db2.gz VZXQFIYUIJFYAH-QHCPKHFHSA-N 2 0 381.564 3.683 20 10 GHCDRP FC(F)Oc1ccc(N2CCC[C@@H]([NH2+]Cc3ccnn3-c3cc[nH+]cc3)C2)cc1 ZINC000850165319 876705500 /nfs/dbraw/zinc/70/55/00/876705500.db2.gz YIEDDZDQVZGHGJ-MRXNPFEDSA-N 2 0 399.445 3.627 20 10 GHCDRP c1ccc(CN2CCc3cc(C[NH2+]C4CCN([C@@H]5CCOC5)CC4)ccc32)cc1 ZINC000850396420 876877640 /nfs/dbraw/zinc/87/76/40/876877640.db2.gz JWLYCBORHAIMIS-XMMPIXPASA-N 2 0 391.559 3.592 20 10 GHCDRP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccc2ccccc2c1O ZINC000850509421 876981984 /nfs/dbraw/zinc/98/19/84/876981984.db2.gz PWZVIYUCXFGEST-LAUBAEHRSA-N 2 0 376.500 3.963 20 10 GHCDRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3ccc(N4CCC(O)CC4)cc3)CC2)C1 ZINC000850566499 877033561 /nfs/dbraw/zinc/03/35/61/877033561.db2.gz OJNOWSUHVOGYGV-WMZHIEFXSA-N 2 0 385.596 3.780 20 10 GHCDRP COc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c1O ZINC000853241012 878924156 /nfs/dbraw/zinc/92/41/56/878924156.db2.gz RRQAHCBZIRJTJQ-DZGCQCFKSA-N 2 0 397.357 3.936 20 10 GHCDRP CC[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093818774 912451658 /nfs/dbraw/zinc/45/16/58/912451658.db2.gz OSFATONEGMVZDF-DEOSSOPVSA-N 2 0 393.575 3.867 20 10 GHCDRP [NH3+]C[C@@H]1CN(Cc2ccc(OCc3ccccc3)cc2O)CC[C@H]1C(F)(F)F ZINC000863645508 887259679 /nfs/dbraw/zinc/25/96/79/887259679.db2.gz IZPCJIKDEUWQOK-IEBWSBKVSA-N 2 0 394.437 3.930 20 10 GHCDRP CC[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(C(F)(F)F)cc1O ZINC000810219882 888296077 /nfs/dbraw/zinc/29/60/77/888296077.db2.gz XGSBGYOIEMLGPB-KSSFIOAISA-N 2 0 386.458 3.953 20 10 GHCDRP CSC1(C[NH2+][C@@H](C)c2cc(Br)cc(C)c2O)CC[NH+](C)CC1 ZINC000810252218 888352484 /nfs/dbraw/zinc/35/24/84/888352484.db2.gz LVOIIQNKHQUHEV-ZDUSSCGKSA-N 2 0 387.387 3.941 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(C(F)F)nc3)cc2F)CC1 ZINC000865456584 888362963 /nfs/dbraw/zinc/36/29/63/888362963.db2.gz LLDHKCAYRVJXQA-UHFFFAOYSA-N 2 0 378.442 3.590 20 10 GHCDRP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1ccc(C(F)(F)F)nc1 ZINC000873184892 891511829 /nfs/dbraw/zinc/51/18/29/891511829.db2.gz KSMIOOMYACSRFU-OAHLLOKOSA-N 2 0 378.442 3.703 20 10 GHCDRP OC1CCN(c2ccc(C[NH2+]Cc3ccc(C[NH+]4CCCCC4)cc3)cc2)CC1 ZINC000876901481 893379961 /nfs/dbraw/zinc/37/99/61/893379961.db2.gz DLUMYGCZUTXRIE-UHFFFAOYSA-N 2 0 393.575 3.923 20 10 GHCDRP CC[NH+]1CCC(N2CCC[N@H+](Cc3ccc(N4CCCCC4)cc3)CC2)CC1 ZINC000817414406 895590768 /nfs/dbraw/zinc/59/07/68/895590768.db2.gz YQYKCIBITQMBLI-UHFFFAOYSA-N 2 0 384.612 3.669 20 10 GHCDRP C[C@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)c1cc2c(cc1O)CCCC2 ZINC000817984348 895993604 /nfs/dbraw/zinc/99/36/04/895993604.db2.gz QSTNGNCMROHYFB-IBGZPJMESA-N 2 0 393.575 3.915 20 10 GHCDRP C[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccc(N2CCCCCC2)cc1 ZINC000817984493 895993948 /nfs/dbraw/zinc/99/39/48/895993948.db2.gz YVZFBBWEQRJYIK-INVBSJAUSA-N 2 0 384.612 3.934 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCCc4nc(C)sc43)cc2F)CC1 ZINC000155300013 898576060 /nfs/dbraw/zinc/57/60/60/898576060.db2.gz NZQADIGEXRSBAW-SFHVURJKSA-N 2 0 388.556 3.900 20 10 GHCDRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(OCc2ccccc2)cc1O ZINC000753549557 929408944 /nfs/dbraw/zinc/40/89/44/929408944.db2.gz SLHIPNBSFQTJDD-BKULYWANSA-N 2 0 396.531 3.655 20 10 GHCDRP C[C@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)c1cccc(C[NH+](C)C)c1 ZINC000924762148 931528374 /nfs/dbraw/zinc/52/83/74/931528374.db2.gz YFMJPNWFWCRRIQ-IBGZPJMESA-N 2 0 381.564 3.808 20 10 GHCDRP COc1cc(Br)cc(C[NH+]2CCC(C3CC[NH+](C)CC3)CC2)c1O ZINC001204339147 1032780570 /nfs/dbraw/zinc/78/05/70/1032780570.db2.gz WWWVRMBLNZOHLW-UHFFFAOYSA-N 2 0 397.357 3.717 20 10 GHCDRP COc1cc(C[N@@H+]2CCCC3(CC[NH+](Cc4ccccc4)CC3)C2)cc(O)c1O ZINC001204349720 1032786532 /nfs/dbraw/zinc/78/65/32/1032786532.db2.gz WBYKJAHCUVFQAI-UHFFFAOYSA-N 2 0 396.531 3.985 20 10 GHCDRP COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)c1 ZINC000756780900 1023813385 /nfs/dbraw/zinc/81/33/85/1023813385.db2.gz YOTBAAYGRZAWDO-SFHVURJKSA-N 2 0 395.547 3.784 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@H](Sc4ccc(F)cc4)C3)cc2)CC1 ZINC001139411034 1026281731 /nfs/dbraw/zinc/28/17/31/1026281731.db2.gz RFOAGFDITDPMQF-QFIPXVFZSA-N 2 0 385.552 3.944 20 10 GHCDRP COC(=O)c1cccc([C@@H]2CCC[N@@H+]2Cc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC001139411499 1026283490 /nfs/dbraw/zinc/28/34/90/1026283490.db2.gz OXQPKKZIUHLRDA-QHCPKHFHSA-N 2 0 393.531 3.562 20 10 GHCDRP C[N@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1cc(F)ccc1O)CC2 ZINC001140054280 1026833641 /nfs/dbraw/zinc/83/36/41/1026833641.db2.gz OJAOSBRDIOFCCU-GOSISDBHSA-N 2 0 390.524 3.848 20 10 GHCDRP CCOc1cccc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccccc2)CCO3)c1O ZINC001203610172 1027475665 /nfs/dbraw/zinc/47/56/65/1027475665.db2.gz XTMHAISYLZRUFC-UHFFFAOYSA-N 2 0 396.531 3.658 20 10 GHCDRP Oc1c(C[N@@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)cc2c3c1CCCN3CCC2 ZINC001222159964 1029982313 /nfs/dbraw/zinc/98/23/13/1029982313.db2.gz AVGDSSUDIFCRER-DEOSSOPVSA-N 2 0 383.580 3.837 20 10 GHCDRP Cc1cc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)cc(C)c1OC(F)F ZINC001461715285 1069698315 /nfs/dbraw/zinc/69/83/15/1069698315.db2.gz ONQJHSMCHKMACO-UHFFFAOYSA-N 2 0 389.490 3.946 20 10 GHCDRP CC(C)n1c2ccccc2nc1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001461716591 1069699106 /nfs/dbraw/zinc/69/91/06/1069699106.db2.gz QPKFEHDWGOIARO-UHFFFAOYSA-N 2 0 377.536 3.659 20 10 GHCDRP Oc1cc(Br)ccc1C[NH2+][C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246343237 1037303810 /nfs/dbraw/zinc/30/38/10/1037303810.db2.gz KDEVLHQOKNQCPN-QZTJIDSGSA-N 2 0 375.310 3.608 20 10 GHCDRP C[C@H]([NH2+]Cc1ccccc1N1CC[NH+](C)CC1)c1cc2c(cc1O)CCCC2 ZINC001254720901 1040479837 /nfs/dbraw/zinc/47/98/37/1040479837.db2.gz BUNPLQZKWAGVHS-SFHVURJKSA-N 2 0 379.548 3.874 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[N@H+](Cc3ccccc3)C3CCC([NH3+])CC3)cc2)CC1 ZINC001236228308 1041634113 /nfs/dbraw/zinc/63/41/13/1041634113.db2.gz UCVUXCFJOQBVPG-UHFFFAOYSA-N 3 0 392.591 3.711 20 10 GHCDRP COc1cc(O)c(C[N@H+](Cc2ccc(C)cc2)[C@H]2CC[C@H]([NH3+])CC2)cc1OC ZINC001236726577 1041859278 /nfs/dbraw/zinc/85/92/78/1041859278.db2.gz OZSDAWSATRWWMX-MXVIHJGJSA-N 2 0 384.520 3.990 20 10 GHCDRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cc3ccccc3cc1O)C2 ZINC001236832525 1041921651 /nfs/dbraw/zinc/92/16/51/1041921651.db2.gz OYQPBNZFAVRQEO-VWNXMTODSA-N 2 0 380.532 3.726 20 10 GHCDRP [NH3+]C12CC(CC[NH+]3CCN(c4ccc(OCc5ccccc5)cc4)CC3)(C1)C2 ZINC001237249779 1042107032 /nfs/dbraw/zinc/10/70/32/1042107032.db2.gz SACUTYRRACRCAU-UHFFFAOYSA-N 2 0 377.532 3.659 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH2+]CCc3ccccc3OC(F)(F)F)cc2)CC1 ZINC001308328153 1049949971 /nfs/dbraw/zinc/94/99/71/1049949971.db2.gz CSDNZBVNYBMXSO-UHFFFAOYSA-N 2 0 393.453 3.669 20 10 GHCDRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)c1 ZINC001318625729 1054757634 /nfs/dbraw/zinc/75/76/34/1054757634.db2.gz VCXGJBXVDFHZMA-UHFFFAOYSA-N 2 0 398.570 3.708 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3cc(C)nc4c3CCCC4)cc2F)CC1 ZINC001200152183 1065384363 /nfs/dbraw/zinc/38/43/63/1065384363.db2.gz QWUYBPWABHQDQU-UHFFFAOYSA-N 2 0 396.554 3.840 20 10 GHCDRP COc1cccc2c(C[NH2+]Cc3ccc(N4CC[NH+](C)CC4)cc3)cccc12 ZINC001474249922 1074309853 /nfs/dbraw/zinc/30/98/53/1074309853.db2.gz YFDUMCWFWVVQSY-UHFFFAOYSA-N 2 0 375.516 3.890 20 10 GHCDRP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000132796069 835423336 /nfs/dbraw/zinc/42/33/36/835423336.db2.gz GNGRAQYFSKLPRR-MOPGFXCFSA-N 2 0 389.559 3.968 20 10 GHCDRP CN(C)c1ccc(C[NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000176985743 835432959 /nfs/dbraw/zinc/43/29/59/835432959.db2.gz FTDJQBNAAILDEU-UHFFFAOYSA-N 2 0 381.564 3.914 20 10 GHCDRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)nc1 ZINC001167426752 839929881 /nfs/dbraw/zinc/92/98/81/839929881.db2.gz KVQXWIMPHAJTTG-HXUWFJFHSA-N 2 0 393.579 3.820 20 10 GHCDRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000237500253 843948989 /nfs/dbraw/zinc/94/89/89/843948989.db2.gz AFAKFCSCMMFESF-KRWDZBQOSA-N 2 0 375.601 3.713 20 10 GHCDRP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccc(N(C)C)c(C)c3)C2)ccn1 ZINC000856585007 881558362 /nfs/dbraw/zinc/55/83/62/881558362.db2.gz XESCKJZCQVNELJ-JOCHJYFZSA-N 2 0 382.552 3.561 20 10 GHCDRP CC[NH+](CC)CC1CC[NH+](Cc2c(O)c(C(=O)OC)cc3ccccc32)CC1 ZINC000738072083 865479933 /nfs/dbraw/zinc/47/99/33/865479933.db2.gz ZTUREAUJZADTMA-UHFFFAOYSA-N 2 0 384.520 3.886 20 10 GHCDRP Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1cccc2c1NC(=O)C21CC[NH2+]CC1 ZINC001169691847 871761926 /nfs/dbraw/zinc/76/19/26/871761926.db2.gz RXHRDRQQTXTVKO-SFHVURJKSA-N 2 0 376.504 3.500 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H](O)c3c(Cl)cccc3Cl)cc2)CC1 ZINC000771842364 875481361 /nfs/dbraw/zinc/48/13/61/875481361.db2.gz MQZGOCOPXMYUHH-LJQANCHMSA-N 2 0 394.346 3.568 20 10 GHCDRP C[N@@H+]1CCCN(CCC[NH2+][C@H](CCc2ccccc2)c2ccccc2O)CC1 ZINC000776266481 876094739 /nfs/dbraw/zinc/09/47/39/876094739.db2.gz VZXQFIYUIJFYAH-HSZRJFAPSA-N 2 0 381.564 3.683 20 10 GHCDRP CN(Cc1cccs1)c1ccc(C[NH2+]C2CCN([C@H]3CCOC3)CC2)cc1 ZINC000850396196 876877404 /nfs/dbraw/zinc/87/74/04/876877404.db2.gz HULIAZLQLKXLEM-NRFANRHFSA-N 2 0 385.577 3.727 20 10 GHCDRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850405709 876887054 /nfs/dbraw/zinc/88/70/54/876887054.db2.gz AFBWJUXTULGAAX-UHFFFAOYSA-N 2 0 395.591 3.896 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCC[C@H](c4ccnn4C)C3)cc2F)CC1 ZINC000790485792 879759165 /nfs/dbraw/zinc/75/91/65/879759165.db2.gz JVONRGKZJDYAIV-PMACEKPBSA-N 2 0 399.558 3.517 20 10 GHCDRP C[C@@H](C[NH2+][C@H](CCc1ccccc1)c1ccccc1O)CN1CC[NH+](C)CC1 ZINC000815576763 894015142 /nfs/dbraw/zinc/01/51/42/894015142.db2.gz XZHZNMOJWFDWFB-NZQKXSOJSA-N 2 0 381.564 3.539 20 10 GHCDRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000817900797 895954388 /nfs/dbraw/zinc/95/43/88/895954388.db2.gz SAIQPLMDNYOWHG-DJPFJPOOSA-N 2 0 389.490 3.805 20 10 GHCDRP C[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000817983827 895991377 /nfs/dbraw/zinc/99/13/77/895991377.db2.gz RJTQRLQDQDQLPY-PELRDEGISA-N 2 0 388.575 3.683 20 10 GHCDRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ccc(N(C)Cc3cccs3)cc2)CC1 ZINC000823990773 899343094 /nfs/dbraw/zinc/34/30/94/899343094.db2.gz QIBJHATZIARFIQ-UHFFFAOYSA-N 2 0 387.593 3.709 20 10 GHCDRP CN(C)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c(C(F)(F)F)c1 ZINC000844909392 901567742 /nfs/dbraw/zinc/56/77/42/901567742.db2.gz BCWQBWLRFYROOQ-LZQZEXGQSA-N 2 0 385.474 3.632 20 10 GHCDRP COc1cccc([C@@H](C)[NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)c1O ZINC000846147074 902751739 /nfs/dbraw/zinc/75/17/39/902751739.db2.gz VJZXBFLOAGSOBW-LJQANCHMSA-N 2 0 383.536 3.654 20 10 GHCDRP CCN(C)c1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)cc1 ZINC000248447522 912107158 /nfs/dbraw/zinc/10/71/58/912107158.db2.gz NKKXNBMIMQHOAM-DVECYGJZSA-N 2 0 381.564 3.950 20 10 GHCDRP COC1CCN(c2ccc(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)cc2)CC1 ZINC000294977641 917077488 /nfs/dbraw/zinc/07/74/88/917077488.db2.gz OTZUUUKBIBIVOG-GBXCKJPGSA-N 2 0 383.580 3.751 20 10 GHCDRP COC1CCN(c2ccc(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)cc2)CC1 ZINC000294977655 917077670 /nfs/dbraw/zinc/07/76/70/917077670.db2.gz OTZUUUKBIBIVOG-RDPSFJRHSA-N 2 0 383.580 3.751 20 10 GHCDRP Cc1nn(C(C)C)cc1C[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000798496928 932671588 /nfs/dbraw/zinc/67/15/88/932671588.db2.gz YFROXRZZDISKQK-UHFFFAOYSA-N 2 0 381.568 3.594 20 10 GHCDRP COc1ccc(N2CC[NH+](CCCNc3cc4[nH]ccc4c(C)[nH+]3)CC2)cc1 ZINC001156261460 1032947648 /nfs/dbraw/zinc/94/76/48/1032947648.db2.gz WSPXDSTVRGCKJN-UHFFFAOYSA-N 2 0 379.508 3.504 20 10 GHCDRP CCOc1ccc(C[NH2+]CCCC[NH+]2CCN(c3cccc(C)c3)CC2)c(O)c1 ZINC000725845174 1022386646 /nfs/dbraw/zinc/38/66/46/1022386646.db2.gz QWUPCGNAGCXCHS-UHFFFAOYSA-N 2 0 397.563 3.791 20 10 GHCDRP C[C@H]1C[C@@H]([NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)c2c1c(F)ccc2O ZINC000756434738 1023647798 /nfs/dbraw/zinc/64/77/98/1023647798.db2.gz OZLTWCLBHSCIKH-OXJNMPFZSA-N 2 0 383.511 3.617 20 10 GHCDRP CN1CCOc2cc(C[NH+]3CCC4(C[NH+](Cc5ccccc5)C4)CC3)ccc21 ZINC001141144999 1023964662 /nfs/dbraw/zinc/96/46/62/1023964662.db2.gz NYURMXVFERAVJC-UHFFFAOYSA-N 2 0 377.532 3.613 20 10 GHCDRP COc1ccc(N2CC[NH+](CCCNc3cc(OCC4CC4)cc[nH+]3)CC2)cc1 ZINC001164330526 1026488231 /nfs/dbraw/zinc/48/82/31/1026488231.db2.gz XFUPEYPEDNBMCP-UHFFFAOYSA-N 2 0 396.535 3.503 20 10 GHCDRP Clc1ccc(OC2CC[NH+](Cc3ccc(N4CC[NH2+]CC4)cc3)CC2)cc1 ZINC001209894477 1027265001 /nfs/dbraw/zinc/26/50/01/1027265001.db2.gz JVHHEVBFMSXXAD-UHFFFAOYSA-N 2 0 385.939 3.793 20 10 GHCDRP CC[C@@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccc(N(C)C)cc1 ZINC000840884740 1027921168 /nfs/dbraw/zinc/92/11/68/1027921168.db2.gz PHSZKMMWSGEAAJ-HSZRJFAPSA-N 2 0 381.564 3.820 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3CCCC[C@]4(CCCC[NH2+]C4)C3)cc2)CC1 ZINC001222167682 1029985805 /nfs/dbraw/zinc/98/58/05/1029985805.db2.gz PBWZGWCXARLBII-DEOSSOPVSA-N 3 0 384.612 3.574 20 10 GHCDRP CN(Cc1cccs1)c1ccc(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1 ZINC000843431846 1030004038 /nfs/dbraw/zinc/00/40/38/1030004038.db2.gz KJLKZJKDNCFYQE-UHFFFAOYSA-N 2 0 385.577 3.681 20 10 GHCDRP CN(C)c1ccc(CNc2cc(N3CC[NH+](C)CC3)cc[nH+]2)c(C(F)(F)F)c1 ZINC001461683732 1069676152 /nfs/dbraw/zinc/67/61/52/1069676152.db2.gz PWXRKRSVXOKKDE-UHFFFAOYSA-N 2 0 393.457 3.530 20 10 GHCDRP C[N@H+](CCN1CC[NH+](Cc2ccccc2)CC1)Cc1ccc2ccccc2c1O ZINC001205741325 1033554798 /nfs/dbraw/zinc/55/47/98/1033554798.db2.gz ZKPRGQVQWLVXLE-UHFFFAOYSA-N 2 0 389.543 3.795 20 10 GHCDRP [NH3+]CC1(c2ccccc2)CC[NH+](Cc2ccc(N3CCOCC3)c(Cl)c2)CC1 ZINC001206755630 1033970537 /nfs/dbraw/zinc/97/05/37/1033970537.db2.gz OTZCLNKLLLAXAX-UHFFFAOYSA-N 2 0 399.966 3.669 20 10 GHCDRP COc1cc(C[NH+]2CCC3(CC[C@@H]3[N@H+](C)Cc3ccco3)CC2)c(O)cc1O ZINC001231632785 1034793148 /nfs/dbraw/zinc/79/31/48/1034793148.db2.gz DCIQQNWGULBLRN-NRFANRHFSA-N 2 0 386.492 3.576 20 10 GHCDRP Cc1cc(C)c(C[NH+]2CCC3(C[C@@H]([N@H+](C)Cc4ccco4)CO3)CC2)c(O)c1 ZINC001231843654 1034937904 /nfs/dbraw/zinc/93/79/04/1034937904.db2.gz CSAZUYYIEOHVHB-LJQANCHMSA-N 2 0 384.520 3.858 20 10 GHCDRP Cc1cc(C)c(C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3CC3CC3)C2)c(O)c1 ZINC001231844925 1034938254 /nfs/dbraw/zinc/93/82/54/1034938254.db2.gz RSEDBLXHVQXDGR-GIWBLDEGSA-N 2 0 394.563 3.581 20 10 GHCDRP Cc1cc(C)c(C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C2)c(O)c1 ZINC001231844218 1034938861 /nfs/dbraw/zinc/93/88/61/1034938861.db2.gz JGNNENWZQLAHAA-DHLKQENFSA-N 2 0 398.591 3.970 20 10 GHCDRP C[NH+](C)CCN(C(=O)c1ccccc1NN=C1C=CC(=O)C=C1)[C@H]1CCC[NH2+]C1 ZINC001161449696 1035233610 /nfs/dbraw/zinc/23/36/10/1035233610.db2.gz PSQRRORVGGVCID-GEJZQBIKSA-N 2 0 395.507 3.563 20 10 GHCDRP C[NH+]1CCN(c2ccc(-c3nc4c(cccc4F)n3C3CC[NH2+]CC3)cc2)CC1 ZINC001247024380 1037845428 /nfs/dbraw/zinc/84/54/28/1037845428.db2.gz QBFIFNZQLADEBN-UHFFFAOYSA-N 2 0 393.510 3.519 20 10 GHCDRP CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccc(Cl)cc3O)C2)ccn1 ZINC001462456272 1070266119 /nfs/dbraw/zinc/26/61/19/1070266119.db2.gz ACYAHAANLUIVQF-FQEVSTJZSA-N 2 0 389.927 3.934 20 10 GHCDRP CC1(C)OC2(CC[NH+](Cc3ccc(N4CC[NH2+]CC4)cc3)CC2)c2ccccc21 ZINC001235947519 1041454658 /nfs/dbraw/zinc/45/46/58/1041454658.db2.gz DKMMTBTYVFRPMJ-UHFFFAOYSA-N 2 0 391.559 3.853 20 10 GHCDRP CCOCC[N@H+](Cc1cc(OCc2ccccc2)ccc1O)C1CC[NH2+]CC1 ZINC001236462180 1041724175 /nfs/dbraw/zinc/72/41/75/1041724175.db2.gz QHZXBMLVBVMSFH-UHFFFAOYSA-N 2 0 384.520 3.562 20 10 GHCDRP COc1cc(O)c(C[N@H+](Cc2ccccc2C)[C@H]2CC[C@H]([NH3+])CC2)c(OC)c1 ZINC001236556421 1041761319 /nfs/dbraw/zinc/76/13/19/1041761319.db2.gz CARVMEJHWHAZEB-WGSAOQKQSA-N 2 0 384.520 3.990 20 10 GHCDRP CN1CCOc2cc(C[N@H+](Cc3ccc(F)cc3)[C@H]3CC[C@H]([NH3+])CC3)ccc21 ZINC001236741517 1041868344 /nfs/dbraw/zinc/86/83/44/1041868344.db2.gz HFPQKSARAWSWMH-MEMLXQNLSA-N 2 0 383.511 3.926 20 10 GHCDRP Cc1cccc(O)c1C[N@@H+]1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001237488767 1042231428 /nfs/dbraw/zinc/23/14/28/1042231428.db2.gz PEAXDAFUJLUJJS-NRFANRHFSA-N 2 0 387.474 3.829 20 10 GHCDRP CC(C)C[NH+]1CCC(N[C@H](c2ccccc2O)[C@H]([NH3+])c2ccccc2O)CC1 ZINC001258005059 1044331608 /nfs/dbraw/zinc/33/16/08/1044331608.db2.gz OFQJVBQQRBRJEC-DHIUTWEWSA-N 2 0 383.536 3.549 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H]3CCN(c4ccc(Cl)cc4)C3)cc2)CC1 ZINC001308233103 1049921767 /nfs/dbraw/zinc/92/17/67/1049921767.db2.gz WWMXYVQGJJIESD-FQEVSTJZSA-N 2 0 398.982 3.708 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H](O)c3cc(Cl)cc(Cl)c3)cc2)CC1 ZINC001308266896 1049931320 /nfs/dbraw/zinc/93/13/20/1049931320.db2.gz OASWZFMDBCSXHJ-FQEVSTJZSA-N 2 0 394.346 3.568 20 10 GHCDRP c1ccc(C[N@H+]2CCCC[C@@H](C[NH2+]Cc3ccc(N4CCOCC4)cc3)C2)cc1 ZINC001308424519 1049972773 /nfs/dbraw/zinc/97/27/73/1049972773.db2.gz KUAMDZYLQPPGKW-DEOSSOPVSA-N 2 0 393.575 3.915 20 10 GHCDRP CC[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccc(N(C)C)cc1 ZINC000132700340 835405970 /nfs/dbraw/zinc/40/59/70/835405970.db2.gz JJQUWWKVYXDELU-DEOSSOPVSA-N 2 0 381.564 3.950 20 10 GHCDRP CCOc1cccc(C[NH2+]CCCC[NH+]2CCN(c3cccc(C)c3)CC2)c1O ZINC000236895881 843964638 /nfs/dbraw/zinc/96/46/38/843964638.db2.gz ZVOJRAQUFZNASU-UHFFFAOYSA-N 2 0 397.563 3.791 20 10 GHCDRP CCN(C)c1ccc([C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)cc1 ZINC000161162036 859657577 /nfs/dbraw/zinc/65/75/77/859657577.db2.gz YZFMLZUJTPTHPI-IBGZPJMESA-N 2 0 381.564 3.950 20 10 GHCDRP Cc1cc(Br)c(O)c(CN[C@@H](CC[NH+](C)C)c2cccnc2)c1 ZINC000922628843 860355927 /nfs/dbraw/zinc/35/59/27/860355927.db2.gz UWTBOAPFJPWYLW-KRWDZBQOSA-N 2 0 378.314 3.641 20 10 GHCDRP COCCC[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000793234269 882029177 /nfs/dbraw/zinc/02/91/77/882029177.db2.gz ZANKMHSGWICABL-QHCPKHFHSA-N 2 0 381.564 3.566 20 10 GHCDRP CC(C)(C)c1ncc(C[NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)cn1 ZINC000793587341 882291418 /nfs/dbraw/zinc/29/14/18/882291418.db2.gz NIHLMDRHLINJMM-UHFFFAOYSA-N 2 0 393.579 3.596 20 10 GHCDRP C[NH+](C)CCOc1ccc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)cc1 ZINC000768162611 873124093 /nfs/dbraw/zinc/12/40/93/873124093.db2.gz RZCACEPSAXWDLK-JOCHJYFZSA-N 2 0 384.520 3.514 20 10 GHCDRP c1ccc(N2CC[C@H]([NH2+]Cc3ccc(N4CC[NH+](CC5CC5)CC4)cc3)C2)cc1 ZINC000768670999 873494833 /nfs/dbraw/zinc/49/48/33/873494833.db2.gz WFFKUFNMGXOYEX-QHCPKHFHSA-N 2 0 390.575 3.587 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH2+]CCCOc3cccc4cccnc43)cc2)CC1 ZINC000771838904 875480205 /nfs/dbraw/zinc/48/02/05/875480205.db2.gz VOAFELJVYSTNLY-UHFFFAOYSA-N 2 0 390.531 3.545 20 10 GHCDRP CC1(C)[C@H]([NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)[C@@H]2CCCO[C@@H]21 ZINC000776170187 875688612 /nfs/dbraw/zinc/68/86/12/875688612.db2.gz IQEVFPZPBRFCBR-ZRBLBEILSA-N 2 0 383.580 3.512 20 10 GHCDRP COc1ccc(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1Cn1cccn1 ZINC001201946554 875949208 /nfs/dbraw/zinc/94/92/08/875949208.db2.gz GYEQHTRNSYDTRT-QUCCMNQESA-N 2 0 382.552 3.683 20 10 GHCDRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(OC)cc(C(C)(C)C)c2O)[C@H](C)C1 ZINC000850137630 876691674 /nfs/dbraw/zinc/69/16/74/876691674.db2.gz RASMCAJQKJKAEI-UTKZUKDTSA-N 2 0 392.584 3.925 20 10 GHCDRP COc1cc(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)c(O)c(C(C)(C)C)c1 ZINC000850242321 876752350 /nfs/dbraw/zinc/75/23/50/876752350.db2.gz PDMXGZLKVCITSN-FQEVSTJZSA-N 2 0 398.547 3.555 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3cc4cnccc4o3)cc2F)CC1 ZINC000850433583 876916755 /nfs/dbraw/zinc/91/67/55/876916755.db2.gz NZTJWNKJCQHSIW-INIZCTEOSA-N 2 0 382.483 3.960 20 10 GHCDRP COc1ccc(N2CC[C@H]([NH2+][C@@H](C)c3cccc(OCC[NH+](C)C)c3)C2)cc1 ZINC000850487901 876963906 /nfs/dbraw/zinc/96/39/06/876963906.db2.gz JZKIAARJYOEJMC-ICSRJNTNSA-N 2 0 383.536 3.565 20 10 GHCDRP C[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000850582298 877055473 /nfs/dbraw/zinc/05/54/73/877055473.db2.gz DCCZVEXFJFSUOK-QGZVFWFLSA-N 2 0 391.987 3.949 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@H](c4ccnn4C)C3)cc2F)CC1 ZINC000790485795 879759266 /nfs/dbraw/zinc/75/92/66/879759266.db2.gz JVONRGKZJDYAIV-VQTJNVASSA-N 2 0 399.558 3.517 20 10 GHCDRP Cc1cc(Cl)cc([C@@H](C)[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)c1O ZINC000808687175 886643874 /nfs/dbraw/zinc/64/38/74/886643874.db2.gz KGHLDRUSMLJVIJ-QGZVFWFLSA-N 2 0 388.943 3.612 20 10 GHCDRP [NH3+]C[C@H]1CN(Cc2ccc(OCc3ccccc3)cc2O)CC[C@H]1C(F)(F)F ZINC000863645510 887260053 /nfs/dbraw/zinc/26/00/53/887260053.db2.gz IZPCJIKDEUWQOK-PKOBYXMFSA-N 2 0 394.437 3.930 20 10 GHCDRP Cc1n[nH]c(C)c1[C@H]1CCCCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809756234 887797015 /nfs/dbraw/zinc/79/70/15/887797015.db2.gz FPLFLXQDNRCGIX-JOCHJYFZSA-N 2 0 381.568 3.896 20 10 GHCDRP CC[C@H]([NH2+]CCCC[NH+]1CCN(CC)CC1)c1ccc(C(F)(F)F)cc1O ZINC000810209417 888321329 /nfs/dbraw/zinc/32/13/29/888321329.db2.gz QUHWSFQKNGTVQA-SFHVURJKSA-N 2 0 387.490 3.869 20 10 GHCDRP CN(C)CC[NH+]1CCC(C[NH2+][C@H](CCc2ccccc2)c2ccccc2O)CC1 ZINC000815576237 894014103 /nfs/dbraw/zinc/01/41/03/894014103.db2.gz MMPSZSZDRZXWLE-XMMPIXPASA-N 2 0 395.591 3.929 20 10 GHCDRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000844912063 901520046 /nfs/dbraw/zinc/52/00/46/901520046.db2.gz REVSVIUDZRAGFQ-KIFXHHALSA-N 2 0 396.531 3.832 20 10 GHCDRP Oc1cc(O)c(C[NH+]2CCC3(CC[NH+](Cc4cccs4)CC3)CC2)c(O)c1 ZINC001144508632 902279993 /nfs/dbraw/zinc/27/99/93/902279993.db2.gz SSNSKNXFWJBDNC-UHFFFAOYSA-N 2 0 388.533 3.743 20 10 GHCDRP C[C@@H]([NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1)c1ccccc1O ZINC000183488007 907398904 /nfs/dbraw/zinc/39/89/04/907398904.db2.gz QRLJVZMEEUUOMY-GOSISDBHSA-N 2 0 384.520 3.733 20 10 GHCDRP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000757997517 929883420 /nfs/dbraw/zinc/88/34/20/929883420.db2.gz OPGMURCKENOYQK-RPWUZVMVSA-N 2 0 397.538 3.930 20 10 GHCDRP C[C@@]1(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000798498662 932673754 /nfs/dbraw/zinc/67/37/54/932673754.db2.gz WTBOVNNXGKKEFX-DEOSSOPVSA-N 2 0 397.538 3.664 20 10 GHCDRP COc1ccc(N2CC[NH+](CCCNc3[nH+]c(C)cc4[nH]ccc43)CC2)cc1 ZINC001156261424 1032947728 /nfs/dbraw/zinc/94/77/28/1032947728.db2.gz VLMDUFICWHSAEO-UHFFFAOYSA-N 2 0 379.508 3.504 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@H](c4nc(C(C)C)no4)C3)cc2)CC1 ZINC001140305537 1021359644 /nfs/dbraw/zinc/35/96/44/1021359644.db2.gz BFGOPFFRGFYQDH-FQEVSTJZSA-N 2 0 397.567 3.715 20 10 GHCDRP c1ccc2oc(C3CC[NH+](Cc4ccc(N5CC[NH2+]CC5)cc4)CC3)nc2c1 ZINC001204654908 1033016141 /nfs/dbraw/zinc/01/61/41/1033016141.db2.gz DVSQLYJQCYJIGO-UHFFFAOYSA-N 2 0 376.504 3.617 20 10 GHCDRP CN1CCOc2cc(C[N@@H+]3CC[C@H]4C[NH+](Cc5ccccc5)CC[C@@H]4C3)ccc21 ZINC001141146277 1023967203 /nfs/dbraw/zinc/96/72/03/1023967203.db2.gz QLLLWFMCLQKDGS-XZOQPEGZSA-N 2 0 391.559 3.859 20 10 GHCDRP COc1cccc(CC2CC[NH+](Cc3cc(C[NH+](C)C)c(O)c(OC)c3)CC2)c1 ZINC001139259356 1026110451 /nfs/dbraw/zinc/11/04/51/1026110451.db2.gz SNIMPXZPROOEDX-UHFFFAOYSA-N 2 0 398.547 3.926 20 10 GHCDRP CC[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001139412002 1026283189 /nfs/dbraw/zinc/28/31/89/1026283189.db2.gz AXNXCNOKFPVBBO-RUZDIDTESA-N 2 0 392.591 3.535 20 10 GHCDRP COc1ccc(N2CCC([NH2+]C[C@@H]3C[NH2+]CC[C@@H]3c3ccc(F)cc3)CC2)cc1 ZINC000841073761 1028091994 /nfs/dbraw/zinc/09/19/94/1028091994.db2.gz PWQDUDHPNGQRLW-YADARESESA-N 2 0 397.538 3.786 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H](c3ccccc3)C3(CO)CC=CC3)cc2)CC1 ZINC000843432889 1030005432 /nfs/dbraw/zinc/00/54/32/1030005432.db2.gz MCTZHUHIPXQOLX-DEOSSOPVSA-N 2 0 391.559 3.598 20 10 GHCDRP Oc1ccc(OCc2ccccc2)cc1CN1C[C@@H]2C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001235231169 1040710915 /nfs/dbraw/zinc/71/09/15/1040710915.db2.gz OSFGHPYYBWLKHR-PXNSSMCTSA-N 2 0 392.421 3.555 20 10 GHCDRP COc1ccc(Br)c(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)c1O ZINC001235243021 1040725291 /nfs/dbraw/zinc/72/52/91/1040725291.db2.gz VAWCDVVUZKRUOG-MRXNPFEDSA-N 2 0 383.330 3.517 20 10 GHCDRP c1ccc([C@H]2CO[C@@]3(C2)CCC[N@@H+](Cc2ccc(N4CC[NH2+]CC4)cc2)C3)cc1 ZINC001235532817 1040978827 /nfs/dbraw/zinc/97/88/27/1040978827.db2.gz OVTQSQGWWKIURR-ILBGXUMGSA-N 2 0 391.559 3.635 20 10 GHCDRP Oc1cc2c(cc1C[NH+]1CCC(Cc3ccc(F)cc3F)CC1)C[NH2+]CCO2 ZINC001236085886 1041525447 /nfs/dbraw/zinc/52/54/47/1041525447.db2.gz YYDPXDAYOLTWGQ-UHFFFAOYSA-N 2 0 388.458 3.607 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH+]3CCC(c4ccc(N)cc4)CC3)c(F)c2)CC1 ZINC001236336969 1041676570 /nfs/dbraw/zinc/67/65/70/1041676570.db2.gz PJKWNJGTYUPYFE-UHFFFAOYSA-N 2 0 382.527 3.539 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[N@H+](CC3CCC3)[C@H]3CC[C@H]([NH3+])CC3)cc2)CC1 ZINC001236540851 1041756437 /nfs/dbraw/zinc/75/64/37/1041756437.db2.gz DJASEDOPQPNYQE-HCGLCNNCSA-N 3 0 384.612 3.701 20 10 GHCDRP CCCC[NH+]1CCC([N@H+](C)Cc2cc(OC)c(Br)cc2O)CC1 ZINC001236749494 1041871506 /nfs/dbraw/zinc/87/15/06/1041871506.db2.gz CRLIMSQNJLQNJG-UHFFFAOYSA-N 2 0 385.346 3.860 20 10 GHCDRP COc1ccccc1[C@@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)C1 ZINC001236933557 1041964164 /nfs/dbraw/zinc/96/41/64/1041964164.db2.gz YLRJTHPMHMCSEO-GOSISDBHSA-N 2 0 383.511 3.576 20 10 GHCDRP Cc1cc(N2CC[NH+](Cc3cc(-c4ccc(F)cc4)ccc3O)CC2)nc(C)n1 ZINC001237644050 1042301160 /nfs/dbraw/zinc/30/11/60/1042301160.db2.gz VZDMPURJNBCCQM-UHFFFAOYSA-N 2 0 392.478 3.927 20 10 GHCDRP Cc1cc(O)c(C[NH2+]CCC2(O)CC[NH+](Cc3ccccc3)CC2)cc1Cl ZINC001308918535 1050168317 /nfs/dbraw/zinc/16/83/17/1050168317.db2.gz LKMITCYBZKKZGW-UHFFFAOYSA-N 2 0 388.939 3.861 20 10 GHCDRP Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC001321023076 1056061579 /nfs/dbraw/zinc/06/15/79/1056061579.db2.gz KHPXUFMQKFPJNV-LAUBAEHRSA-N 2 0 380.532 3.995 20 10 GHCDRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC001200820544 1056988851 /nfs/dbraw/zinc/98/88/51/1056988851.db2.gz IOFLPOCBQXBGOI-CVDCTZTESA-N 2 0 397.538 3.663 20 10 GHCDRP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2cc(Br)cc(OC)c2O)CC1 ZINC000848524374 1057148164 /nfs/dbraw/zinc/14/81/64/1057148164.db2.gz IHTPEDRPPKWYIF-ZDUSSCGKSA-N 2 0 385.346 3.936 20 10 GHCDRP CC1([NH+]2CCCC2)CCC([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC001474271195 1074319477 /nfs/dbraw/zinc/31/94/77/1074319477.db2.gz GWNTTZCOCCXFGO-UHFFFAOYSA-N 2 0 375.532 3.549 20 10 GHCDRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2ccc(N3CCCCCC3)cc2)CC1 ZINC000121262058 837221366 /nfs/dbraw/zinc/22/13/66/837221366.db2.gz XSUSRJUIZGZPFY-FGZHOGPDSA-N 2 0 386.628 3.991 20 10 GHCDRP C[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccc(N2CCCCCC2)cc1 ZINC000765782520 854812576 /nfs/dbraw/zinc/81/25/76/854812576.db2.gz YVFTWGOWAZMVPT-NRFANRHFSA-N 2 0 386.628 3.991 20 10 GHCDRP C[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000765948350 856779857 /nfs/dbraw/zinc/77/98/57/856779857.db2.gz ZGFKNXRQGNNCPV-UYAOXDASSA-N 2 0 388.575 3.635 20 10 GHCDRP CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cc(Cl)ccc3O)C2)ccn1 ZINC000856561832 881462235 /nfs/dbraw/zinc/46/22/35/881462235.db2.gz WKEQRBNWZOBZSC-FQEVSTJZSA-N 2 0 389.927 3.934 20 10 GHCDRP CC(C)[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cc(Cl)ccc3O)C2)ccn1 ZINC000856561833 881468686 /nfs/dbraw/zinc/46/86/86/881468686.db2.gz WKEQRBNWZOBZSC-HXUWFJFHSA-N 2 0 389.927 3.934 20 10 GHCDRP COc1ccc(O)c([C@@H](C)[NH2+]C/C=C/C[NH2+][C@@H](C)c2cc(OC)ccc2O)c1 ZINC000182441526 872345918 /nfs/dbraw/zinc/34/59/18/872345918.db2.gz GTOXGDHWTMUTLG-AXHPFZFWSA-N 2 0 386.492 3.673 20 10 GHCDRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775664748 872489101 /nfs/dbraw/zinc/48/91/01/872489101.db2.gz PJYULYDVNFDGDI-JTHBVZDNSA-N 2 0 384.612 3.525 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3c[nH]nc3-c3ccc(C)o3)cc2F)CC1 ZINC000106487201 876072650 /nfs/dbraw/zinc/07/26/50/876072650.db2.gz HONYMMHCGCDWMA-UHFFFAOYSA-N 2 0 397.498 3.549 20 10 GHCDRP C[NH+](C)CCN1CCC([NH2+][C@H](CCc2ccccc2)c2ccccc2O)CC1 ZINC000776266453 876094854 /nfs/dbraw/zinc/09/48/54/876094854.db2.gz VPZMMIRUFQTIPX-HSZRJFAPSA-N 2 0 381.564 3.682 20 10 GHCDRP Cc1ccccc1[C@H]([C@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)N(C)C ZINC000785560243 876108437 /nfs/dbraw/zinc/10/84/37/876108437.db2.gz PDDKMDVAOPDLNT-RDPSFJRHSA-N 2 0 380.580 3.528 20 10 GHCDRP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccc(C(F)(F)F)cc1O ZINC000810228175 888303599 /nfs/dbraw/zinc/30/35/99/888303599.db2.gz QVUHVMLZOPLHGU-OKZBNKHCSA-N 2 0 386.458 3.830 20 10 GHCDRP C[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000124344025 891410390 /nfs/dbraw/zinc/41/03/90/891410390.db2.gz PXDCAAQCROZOHC-LJQANCHMSA-N 2 0 390.591 3.740 20 10 GHCDRP C[N@@H+](Cc1ccc(N2CCC(O)CC2)cc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000876725945 893303010 /nfs/dbraw/zinc/30/30/10/893303010.db2.gz RBITWNOKBYMEIY-QHCPKHFHSA-N 2 0 393.575 3.602 20 10 GHCDRP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000288427582 913762305 /nfs/dbraw/zinc/76/23/05/913762305.db2.gz BNEAZDOPDDCGMS-UHFFFAOYSA-N 2 0 382.552 3.692 20 10 GHCDRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@H](CCc3ccccc3)c3ccccc3O)C2)CC1 ZINC000815579399 894019575 /nfs/dbraw/zinc/01/95/75/894019575.db2.gz MIQGMRPYOZKXDM-XUZZJYLKSA-N 2 0 393.575 3.824 20 10 GHCDRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000817898451 895952858 /nfs/dbraw/zinc/95/28/58/895952858.db2.gz GFNFDIZBPZZECW-NVXWUHKLSA-N 2 0 390.478 3.770 20 10 GHCDRP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000883289272 897454672 /nfs/dbraw/zinc/45/46/72/897454672.db2.gz JNVCVFIAKUKQLR-QGZVFWFLSA-N 2 0 392.547 3.519 20 10 GHCDRP C[C@@H](NCc1ccc(N2CC[NH+](C)CC2)cc1)c1nc(Br)cs1 ZINC000883290679 897456295 /nfs/dbraw/zinc/45/62/95/897456295.db2.gz CDDNQEMGUVNMRR-CYBMUJFWSA-N 2 0 395.370 3.508 20 10 GHCDRP CN(c1ccccc1C[NH2+]Cc1ccc2c(c1)CCCN2C)C1CC[NH+](C)CC1 ZINC000133461304 898439160 /nfs/dbraw/zinc/43/91/60/898439160.db2.gz DWKKHJIRKZPJKT-UHFFFAOYSA-N 2 0 392.591 3.889 20 10 GHCDRP C[C@@H]1C[C@H](NC2CC[NH+](Cc3ccccc3O)CC2)C[N@@H+]1Cc1ccccc1 ZINC001171733102 904961800 /nfs/dbraw/zinc/96/18/00/904961800.db2.gz IIXOFNKPTUAZOX-XXBNENTESA-N 2 0 379.548 3.609 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3C[C@@H](C)c4c3c(O)ccc4C)cn2)CC1 ZINC001116584150 933646452 /nfs/dbraw/zinc/64/64/52/933646452.db2.gz ARBWARZLEUGXED-MJGOQNOKSA-N 2 0 380.536 3.576 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@H](Sc4ccncc4)C3)cc2)CC1 ZINC001140304065 1021354147 /nfs/dbraw/zinc/35/41/47/1021354147.db2.gz GYMMUPXPZPMCFL-HSZRJFAPSA-N 2 0 396.604 3.980 20 10 GHCDRP CN(C)c1ccc(/C=C/C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000835047812 1021811651 /nfs/dbraw/zinc/81/16/51/1021811651.db2.gz KQEMFSJKODWMNI-SXBBHYFQSA-N 2 0 379.548 3.512 20 10 GHCDRP Cc1c(O)ccc(C[NH+]2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1O ZINC001140744812 1022411455 /nfs/dbraw/zinc/41/14/55/1022411455.db2.gz MLMJNEIOLDDOHQ-OAQYLSRUSA-N 2 0 396.531 3.662 20 10 GHCDRP C[C@H]([NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1)c1cc(F)ccc1O ZINC000756431579 1023645724 /nfs/dbraw/zinc/64/57/24/1023645724.db2.gz NQPMREANTLXKRK-IBGZPJMESA-N 2 0 385.527 3.780 20 10 GHCDRP CN1CCOc2cc(C[N@@H+]3CC[C@@H]4C[NH+](Cc5ccccc5)CC[C@@H]4C3)ccc21 ZINC001141146274 1023967121 /nfs/dbraw/zinc/96/71/21/1023967121.db2.gz QLLLWFMCLQKDGS-DHIUTWEWSA-N 2 0 391.559 3.859 20 10 GHCDRP COc1cc(C[N@@H+]2CC[C@@](C)(c3cccc(O)c3)[C@@H](C)C2)cc(C[NH+](C)C)c1O ZINC001139257773 1026108578 /nfs/dbraw/zinc/10/85/78/1026108578.db2.gz GKRXTSLFXYIMNK-BXKMTCNYSA-N 2 0 398.547 3.968 20 10 GHCDRP Cc1ccc(C[N@@H+]2CCOC3(CC[NH+](Cc4cc(F)ccc4O)CC3)C2)cc1 ZINC001140055477 1026834771 /nfs/dbraw/zinc/83/47/71/1026834771.db2.gz GCJCYWUBAOVPOS-UHFFFAOYSA-N 2 0 384.495 3.707 20 10 GHCDRP COc1ccc(O)c(C[N@@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)c1 ZINC001222573711 1030205168 /nfs/dbraw/zinc/20/51/68/1030205168.db2.gz BZCQZMHFWHXXEA-NRFANRHFSA-N 2 0 396.531 3.704 20 10 GHCDRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC001461919993 1069884229 /nfs/dbraw/zinc/88/42/29/1069884229.db2.gz PMGVPYLKDRNQKS-SFHVURJKSA-N 2 0 378.557 3.631 20 10 GHCDRP [NH3+][C@H](c1ccccc1O)[C@H](Nc1cc(N2CCCC2)cc[nH+]1)c1ccccc1O ZINC001160618728 1035017497 /nfs/dbraw/zinc/01/74/97/1035017497.db2.gz ISPXBJFWLWDPSH-DHIUTWEWSA-N 2 0 390.487 3.946 20 10 GHCDRP Oc1cc(C[NH+]2CCC3(CC[NH+](Cc4ccccc4)CC3)CC2)cc(O)c1O ZINC001233017569 1038769559 /nfs/dbraw/zinc/76/95/59/1038769559.db2.gz XJZLCTCQKQNGRX-UHFFFAOYSA-N 2 0 382.504 3.682 20 10 GHCDRP COc1ccc(Br)c(C[N@@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c1O ZINC001235157714 1040651310 /nfs/dbraw/zinc/65/13/10/1040651310.db2.gz KKVVPRKKFLFHFG-MRXNPFEDSA-N 2 0 383.330 3.517 20 10 GHCDRP Oc1ccc2cc(Br)ccc2c1C[N@@H+]1CC[C@@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235405641 1040917408 /nfs/dbraw/zinc/91/74/08/1040917408.db2.gz OKISUEHXBOFIPC-OALUTQOASA-N 2 0 393.300 3.831 20 10 GHCDRP Oc1cc2c(cc1C[N@@H+]1CC[C@@H](c3ccc(C(F)(F)F)cc3)C1)C[NH2+]CCO2 ZINC001235918411 1041430041 /nfs/dbraw/zinc/43/00/41/1041430041.db2.gz DQVOJTLWHQPZEG-OAHLLOKOSA-N 2 0 392.421 3.883 20 10 GHCDRP COc1cccc(C[C@@H]2CCC[N@H+](Cc3ccc(N4CC[NH2+]CC4)cc3)C2)c1 ZINC001236305506 1041665913 /nfs/dbraw/zinc/66/59/13/1041665913.db2.gz XZWODBICJHPZFA-QFIPXVFZSA-N 2 0 379.548 3.560 20 10 GHCDRP Cc1cc(O)c(C[N@H+]2CCC[C@]3(CCCN(CC[NH+](C)C)C3)C2)cc1Cl ZINC001279432635 1047804464 /nfs/dbraw/zinc/80/44/64/1047804464.db2.gz HFIHLOAIFFMYRJ-NRFANRHFSA-N 2 0 379.976 3.594 20 10 GHCDRP C[C@@H]1C[NH+](Cc2ccc(C[NH2+]Cc3ccc4c(c3)CCCO4)cc2)C[C@@H](C)O1 ZINC001308196290 1049908890 /nfs/dbraw/zinc/90/88/90/1049908890.db2.gz FFLFVZOCSXAWPW-RTBURBONSA-N 2 0 380.532 3.911 20 10 GHCDRP Cc1ccc2c(CC[NH2+]Cc3ccc(N4CCN(C)CC4)c(F)c3)c[nH]c2c1 ZINC001321644569 1056349763 /nfs/dbraw/zinc/34/97/63/1056349763.db2.gz DABYSOFRFWSNBJ-UHFFFAOYSA-N 2 0 380.511 3.700 20 10 GHCDRP Cc1c(Br)cccc1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000848563213 1057180693 /nfs/dbraw/zinc/18/06/93/1057180693.db2.gz RTNARQYAMRPWSD-UHFFFAOYSA-N 2 0 388.353 3.799 20 10 GHCDRP C[C@H]1CC[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)CN1Cc1ccccc1 ZINC001474685626 1074514259 /nfs/dbraw/zinc/51/42/59/1074514259.db2.gz WLFDGXDKPDZNNH-XUZZJYLKSA-N 2 0 392.591 3.581 20 10 GHCDRP C[NH+]1CCN(c2ccc(CNc3ccc([C@@H]4CCCC[N@@H+]4C)cn3)cc2)CC1 ZINC001167431308 840048176 /nfs/dbraw/zinc/04/81/76/840048176.db2.gz RRDVLXGPTWMLQL-QFIPXVFZSA-N 2 0 379.552 3.602 20 10 GHCDRP C[NH+]1CCN(CCC[NH2+]Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)CC1 ZINC000237138359 852930863 /nfs/dbraw/zinc/93/08/63/852930863.db2.gz RYGBZZPIIGQMEX-UHFFFAOYSA-N 2 0 375.601 3.714 20 10 GHCDRP C[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(N2CCCCCC2)cc1 ZINC000765941300 856634189 /nfs/dbraw/zinc/63/41/89/856634189.db2.gz GMJJTQBRHVGKGS-IRLDBZIGSA-N 2 0 384.612 3.886 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3cccc([N+](=O)[O-])c3)cc2F)CC1 ZINC000173400505 864706489 /nfs/dbraw/zinc/70/64/89/864706489.db2.gz YXHANJYUUHLAIX-MRXNPFEDSA-N 2 0 386.471 3.727 20 10 GHCDRP COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000184943283 865065108 /nfs/dbraw/zinc/06/51/08/865065108.db2.gz IMROEIBPLYBQHL-KSZLIROESA-N 2 0 384.520 3.861 20 10 GHCDRP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccc2ccccc2c1O ZINC000184968787 865082016 /nfs/dbraw/zinc/08/20/16/865082016.db2.gz KDIMSRATYGJCNL-QGZVFWFLSA-N 2 0 376.504 3.543 20 10 GHCDRP Cc1ccc(O)c(C[NH2+]Cc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)c1 ZINC000742373712 867267721 /nfs/dbraw/zinc/26/77/21/867267721.db2.gz HVLJWRVELPFKMD-UHFFFAOYSA-N 2 0 393.453 3.761 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[N@H+](Cc3ccccc3[N+](=O)[O-])C3CC3)cc2)CC1 ZINC000775652003 872380013 /nfs/dbraw/zinc/38/00/13/872380013.db2.gz UVMQPWXGFSQJQJ-UHFFFAOYSA-N 2 0 380.492 3.511 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCCC[C@@H]3[C@@H](O)c3ccccc3)cc2)CC1 ZINC000775669241 872586301 /nfs/dbraw/zinc/58/63/01/872586301.db2.gz ICCBRYDCXRYGKO-RPWUZVMVSA-N 2 0 379.548 3.527 20 10 GHCDRP Oc1cc(Br)ccc1C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000691450261 873312380 /nfs/dbraw/zinc/31/23/80/873312380.db2.gz KKLMXZATUMZJNB-MRXNPFEDSA-N 2 0 375.310 3.766 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@H]3C[C@H](O)c3ccc(F)cc3)cc2)CC1 ZINC000775738267 873319194 /nfs/dbraw/zinc/31/91/94/873319194.db2.gz XWQFGSFTVWPHOJ-RPWUZVMVSA-N 2 0 397.538 3.666 20 10 GHCDRP CC[N@H+](CCC1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1)CC1CC1 ZINC000770596039 874777764 /nfs/dbraw/zinc/77/77/64/874777764.db2.gz BAONQDBODDQMQG-UHFFFAOYSA-N 2 0 385.596 3.857 20 10 GHCDRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC001199335975 874934244 /nfs/dbraw/zinc/93/42/44/874934244.db2.gz FLGYEFCDIFHZDA-FPLPWBNLSA-N 2 0 392.591 3.693 20 10 GHCDRP CN(C)c1ccc(C[N@H+](C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)cc1 ZINC000771934820 875558044 /nfs/dbraw/zinc/55/80/44/875558044.db2.gz AFBHAMJMRSDVAQ-UHFFFAOYSA-N 2 0 380.580 3.915 20 10 GHCDRP C[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1cc(Br)ccc1O ZINC000850483899 876956803 /nfs/dbraw/zinc/95/68/03/876956803.db2.gz XTACRPZNURMQFW-CQSZACIVSA-N 2 0 397.357 3.696 20 10 GHCDRP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1cc2c(cc1O)CCCC2 ZINC000850508028 876979991 /nfs/dbraw/zinc/97/99/91/876979991.db2.gz JWPKKBZGPXWSIH-JTSKRJEESA-N 2 0 380.532 3.688 20 10 GHCDRP Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)c1O ZINC000808677803 886679145 /nfs/dbraw/zinc/67/91/45/886679145.db2.gz DPDVYZCVOUUJJH-KRWDZBQOSA-N 2 0 387.955 3.952 20 10 GHCDRP C[N@H+](Cc1cc(-c2ccccc2)ccc1O)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000809741138 887776346 /nfs/dbraw/zinc/77/63/46/887776346.db2.gz KKMWJNMXJWUIJC-QHCPKHFHSA-N 2 0 379.548 3.660 20 10 GHCDRP CSC1(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2Cl)CC[NH+](C)CC1 ZINC000810252011 888353931 /nfs/dbraw/zinc/35/39/31/888353931.db2.gz FNJBAZMLFCJPGY-INIZCTEOSA-N 2 0 398.016 3.655 20 10 GHCDRP COc1cc(O)c(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc1OC ZINC000814224165 892415580 /nfs/dbraw/zinc/41/55/80/892415580.db2.gz AQPZAKCORBQVDH-UHFFFAOYSA-N 2 0 396.531 3.898 20 10 GHCDRP CC1CC[NH+](C2CCC([NH2+]Cc3ccc(N4CCC(O)CC4)cc3)CC2)CC1 ZINC000877114323 893490897 /nfs/dbraw/zinc/49/08/97/893490897.db2.gz YXCLYSOAMGQXCO-UHFFFAOYSA-N 2 0 385.596 3.780 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@H](C[C@@H]3CCOC3)c3ccccc3)cc2)CC1 ZINC000883290600 897455632 /nfs/dbraw/zinc/45/56/32/897455632.db2.gz ZJQXHTFZFDDTDK-XUZZJYLKSA-N 2 0 379.548 3.696 20 10 GHCDRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2ccc(N(C)Cc3cccs3)cc2)CC1 ZINC000823653890 899165089 /nfs/dbraw/zinc/16/50/89/899165089.db2.gz GEAKICUIXXAUEL-IBGZPJMESA-N 2 0 386.609 3.500 20 10 GHCDRP COc1cc(F)cc(C[NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)c1 ZINC000824037171 899354991 /nfs/dbraw/zinc/35/49/91/899354991.db2.gz DAGJIZULKIXJPN-UHFFFAOYSA-N 2 0 383.511 3.656 20 10 GHCDRP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](Cc3c(O)cc(O)cc3O)C[C@H]21 ZINC001144509952 902309982 /nfs/dbraw/zinc/30/99/82/902309982.db2.gz OJBIIPOFOQVEOW-LSBZLQRGSA-N 2 0 388.533 3.597 20 10 GHCDRP c1c2cnccc2oc1C[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000845944497 902548150 /nfs/dbraw/zinc/54/81/50/902548150.db2.gz BRSLLEDVGATSQP-UHFFFAOYSA-N 2 0 376.504 3.650 20 10 GHCDRP COc1cccc([C@H](C)[NH2+]Cc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)c1O ZINC000846137697 902745749 /nfs/dbraw/zinc/74/57/49/902745749.db2.gz GAYQTMUBIJBMDU-KURKYZTESA-N 2 0 384.520 3.861 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3ccc(NC(C)=O)cc3)cc2F)CC1 ZINC000182071011 907127916 /nfs/dbraw/zinc/12/79/16/907127916.db2.gz HGPQBLKUXXZQNC-QGZVFWFLSA-N 2 0 398.526 3.777 20 10 GHCDRP CC[C@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1cc(Cl)ccc1O ZINC000775499103 918395619 /nfs/dbraw/zinc/39/56/19/918395619.db2.gz GROJKNPXICAEHT-FQEVSTJZSA-N 2 0 388.943 3.694 20 10 GHCDRP CC[NH+]1CCC(NC(=O)C[N@H+](Cc2ccccc2O)[C@@H](C)c2ccccc2)CC1 ZINC000757278368 929685156 /nfs/dbraw/zinc/68/51/56/929685156.db2.gz VCYZXEXLOQHPHM-IBGZPJMESA-N 2 0 395.547 3.556 20 10 GHCDRP C[N@@H+]1CC[C@H]([NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)[C@H]2CCC[C@H]21 ZINC000796747271 932052246 /nfs/dbraw/zinc/05/22/46/932052246.db2.gz UUHFZGKEPGLOPE-HSALFYBXSA-N 2 0 379.495 3.719 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[N@H+](C)[C@@H]3CCN(Cc4ccccc4)C3)cc2)CC1 ZINC001140300385 1021346518 /nfs/dbraw/zinc/34/65/18/1021346518.db2.gz NFECUQWFFHFQOJ-RUZDIDTESA-N 2 0 392.591 3.535 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H](OCc4ccccc4)C3)cc2)CC1 ZINC001140304109 1021355173 /nfs/dbraw/zinc/35/51/73/1021355173.db2.gz IKGBTUHDRKYXPY-XMMPIXPASA-N 2 0 379.548 3.620 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[N@H+](CC(=O)c3ccccc3)C(C)C)cc2)CC1 ZINC001140305565 1021360876 /nfs/dbraw/zinc/36/08/76/1021360876.db2.gz CHHUTLKYXPVUSD-UHFFFAOYSA-N 2 0 379.548 3.922 20 10 GHCDRP COc1cccc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2cc(O)ccc2O)CC3)c1 ZINC001141159917 1023985291 /nfs/dbraw/zinc/98/52/91/1023985291.db2.gz NEWHUSHCLYCKTA-UHFFFAOYSA-N 2 0 382.504 3.595 20 10 GHCDRP COc1cc(C[N@@H+]2CCC[C@@H](OCc3ccccc3)C2)cc(C[NH+](C)C)c1O ZINC001139257755 1026108260 /nfs/dbraw/zinc/10/82/60/1026108260.db2.gz GHNFQLWZLPHBGS-OAQYLSRUSA-N 2 0 384.520 3.644 20 10 GHCDRP COc1ccccc1S[C@@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001139411159 1026281346 /nfs/dbraw/zinc/28/13/46/1026281346.db2.gz XEIMEZYEUWPHMG-OAQYLSRUSA-N 2 0 397.588 3.814 20 10 GHCDRP COc1ccc(C[C@H]2CCC[N@H+](Cc3ccc(N4CC[NH+](C)CC4)cc3)C2)cc1 ZINC001139410902 1026281674 /nfs/dbraw/zinc/28/16/74/1026281674.db2.gz LBZLRSFIBGOUHF-HSZRJFAPSA-N 2 0 393.575 3.902 20 10 GHCDRP COc1ccc(N2CC[NH+](CCCNc3ccc4[nH]c(C)[nH+]c4c3)CC2)cc1 ZINC001164333643 1026488068 /nfs/dbraw/zinc/48/80/68/1026488068.db2.gz AZYGQUHKHSQHTA-UHFFFAOYSA-N 2 0 379.508 3.504 20 10 GHCDRP CC[C@H](C)Oc1cc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)ccc1OC ZINC001203492461 1027378623 /nfs/dbraw/zinc/37/86/23/1027378623.db2.gz ZUVMNTYKNFFNAF-IBGZPJMESA-N 2 0 397.563 3.914 20 10 GHCDRP COc1cc(Br)cc(C[NH2+][C@H](CCC[NH3+])c2ccccc2)c1O ZINC000841086393 1028111221 /nfs/dbraw/zinc/11/12/21/1028111221.db2.gz HWPQFKASZNARIB-MRXNPFEDSA-N 2 0 379.298 3.733 20 10 GHCDRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccc(OCc3ccccc3)cc2O)CC1 ZINC000841099801 1028134572 /nfs/dbraw/zinc/13/45/72/1028134572.db2.gz PDRHLGDLUOHLMH-LADGPHEKSA-N 2 0 396.531 3.690 20 10 GHCDRP [NH3+]CC1(c2ccccc2)CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC001206749561 1033967462 /nfs/dbraw/zinc/96/74/62/1033967462.db2.gz GRYBWYLFLZOIJV-UHFFFAOYSA-N 2 0 375.310 3.647 20 10 GHCDRP Cc1c[nH+]ccc1N1CC[NH+](Cc2ccc(OCc3ccccc3)cc2O)CC1 ZINC001231469725 1034615991 /nfs/dbraw/zinc/61/59/91/1034615991.db2.gz SANNALFRPFZZBW-UHFFFAOYSA-N 2 0 389.499 3.997 20 10 GHCDRP Oc1c(C[N@@H+]2CCc3onc(Cn4ccnc4)c3C2)cccc1-c1ccccc1 ZINC001235002309 1040494404 /nfs/dbraw/zinc/49/44/04/1040494404.db2.gz OYBQOEWRJQGVPS-UHFFFAOYSA-N 2 0 386.455 3.850 20 10 GHCDRP Oc1ccc2cc(Br)ccc2c1C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001234999627 1040495241 /nfs/dbraw/zinc/49/52/41/1040495241.db2.gz NICLFJNTNMGUPN-IBGZPJMESA-N 2 0 375.310 3.883 20 10 GHCDRP Fc1ccc2c(c1)onc2C1CC[NH+](Cc2ccc(N3CC[NH2+]CC3)cc2)CC1 ZINC001235435771 1040936966 /nfs/dbraw/zinc/93/69/66/1040936966.db2.gz YFMBIADMHGKNAQ-UHFFFAOYSA-N 2 0 394.494 3.756 20 10 GHCDRP Oc1cc(C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)c(O)cc1Br ZINC001236374215 1041686022 /nfs/dbraw/zinc/68/60/22/1041686022.db2.gz BNWPBTLBBNMSPI-CYBMUJFWSA-N 2 0 383.330 3.605 20 10 GHCDRP CN1CCOc2cc(C[N@@H+](Cc3ccc(F)cc3)CC3CC[NH2+]CC3)ccc21 ZINC001236382172 1041691602 /nfs/dbraw/zinc/69/16/02/1041691602.db2.gz PCTUWOVMJFHNDM-UHFFFAOYSA-N 2 0 383.511 3.656 20 10 GHCDRP COc1cc(O)c(C[N@@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)cc1OC ZINC001236757256 1041875723 /nfs/dbraw/zinc/87/57/23/1041875723.db2.gz JIQIEIJQDSPSMJ-CSNZXNIXSA-N 2 0 398.547 3.804 20 10 GHCDRP Oc1cc(OCC(F)(F)F)ccc1C[NH+]1CCC(CC2CC[NH2+]CC2)CC1 ZINC001236961782 1041970743 /nfs/dbraw/zinc/97/07/43/1041970743.db2.gz GZRZFYLJEDJVQI-UHFFFAOYSA-N 2 0 386.458 3.935 20 10 GHCDRP FC(F)(F)Oc1ccc(N2CC[NH+](Cc3ccc4c(c3)CC[NH2+]C4)CC2)cc1 ZINC001237205356 1042091157 /nfs/dbraw/zinc/09/11/57/1042091157.db2.gz KVKSBAWWMLYWQA-UHFFFAOYSA-N 2 0 391.437 3.553 20 10 GHCDRP Cc1cccc(O)c1C[NH+]1CCC2(C[C@@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001237487910 1042231674 /nfs/dbraw/zinc/23/16/74/1042231674.db2.gz FZVHAOLYEWFCAT-OAQYLSRUSA-N 2 0 380.532 3.956 20 10 GHCDRP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cc(Cl)c(C(C)(C)C)cc1O ZINC001279940579 1047994677 /nfs/dbraw/zinc/99/46/77/1047994677.db2.gz ILPNTLAGCGNSCK-OALUTQOASA-N 2 0 379.976 3.553 20 10 GHCDRP Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001308918984 1050169740 /nfs/dbraw/zinc/16/97/40/1050169740.db2.gz PILAJUWKGLVZRG-FCHUYYIVSA-N 2 0 378.564 3.958 20 10 GHCDRP CN1CCN(c2ccc(C[N@@H+]3CCCO[C@H](c4ccccc4)C3)cc2F)CC1 ZINC001319702749 1055409687 /nfs/dbraw/zinc/40/96/87/1055409687.db2.gz SHLZYNBGCVVLGN-QHCPKHFHSA-N 2 0 383.511 3.541 20 10 GHCDRP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(CN3CC[NH+](C)CC3)c2)c2c1c(F)ccc2O ZINC001320125024 1055665024 /nfs/dbraw/zinc/66/50/24/1055665024.db2.gz PPIYTKDIRQXCMH-OXQOHEQNSA-N 2 0 383.511 3.617 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH2+]CCc3ccccc3Br)cc2)CC1 ZINC001474133174 1074271826 /nfs/dbraw/zinc/27/18/26/1074271826.db2.gz KIESEFIFPMWICW-UHFFFAOYSA-N 2 0 388.353 3.533 20 10 GHCDRP CC[N@@H+](Cc1cc(OC)c(OC)cc1O)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000160326837 838293426 /nfs/dbraw/zinc/29/34/26/838293426.db2.gz NDAUVPDJSVKLKC-LJQANCHMSA-N 2 0 384.520 3.753 20 10 GHCDRP C[C@H]([NH2+]CCCCC[NH+]1CCCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000164649853 854135443 /nfs/dbraw/zinc/13/54/43/854135443.db2.gz BCANBSVGWXIWHQ-IBGZPJMESA-N 2 0 377.548 3.969 20 10 GHCDRP COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)c1 ZINC000184943424 865065178 /nfs/dbraw/zinc/06/51/78/865065178.db2.gz IMROEIBPLYBQHL-KURKYZTESA-N 2 0 384.520 3.861 20 10 GHCDRP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccc2ccccc2c1O ZINC000184968768 865082412 /nfs/dbraw/zinc/08/24/12/865082412.db2.gz KDIMSRATYGJCNL-KRWDZBQOSA-N 2 0 376.504 3.543 20 10 GHCDRP COc1cc(O)c(C[NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)cc1OC ZINC000182421513 872337234 /nfs/dbraw/zinc/33/72/34/872337234.db2.gz AFASBOLVIVRIRV-UHFFFAOYSA-N 2 0 396.487 3.924 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[N@H+](CCCO)[C@H]3CCCc4ccccc43)cc2)CC1 ZINC000775725342 873199706 /nfs/dbraw/zinc/19/97/06/873199706.db2.gz MHYFKFSDNADAGM-VWLOTQADSA-N 2 0 393.575 3.700 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH+]3CCC(CCC[NH+]4CCCC4)CC3)cc2)CC1 ZINC000775725036 873203218 /nfs/dbraw/zinc/20/32/18/873203218.db2.gz FWQBCJRWIHVKKF-UHFFFAOYSA-N 3 0 384.612 3.526 20 10 GHCDRP CC[NH+]1CCN(c2cccc(NC(=O)c3ccc(C[NH+]4CCCC4)cc3)c2)CC1 ZINC000770153391 874517729 /nfs/dbraw/zinc/51/77/29/874517729.db2.gz MAOPUMIGDUUGBH-UHFFFAOYSA-N 2 0 392.547 3.677 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(Br)cc3F)cc2)CC1 ZINC000771835266 875478977 /nfs/dbraw/zinc/47/89/77/875478977.db2.gz RALQBOIEVGHWRN-UHFFFAOYSA-N 2 0 392.316 3.630 20 10 GHCDRP C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000850406558 876888326 /nfs/dbraw/zinc/88/83/26/876888326.db2.gz LFRXAXXABNYTBI-REWPJTCUSA-N 2 0 393.575 3.790 20 10 GHCDRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1cc2oc3ccccc3c2cc1O ZINC000746647360 877199374 /nfs/dbraw/zinc/19/93/74/877199374.db2.gz IILLTRYEJOFPNA-ICPLQIHGSA-N 2 0 380.488 3.975 20 10 GHCDRP Oc1cc(OCc2ccccc2)ccc1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530248179 877364390 /nfs/dbraw/zinc/36/43/90/877364390.db2.gz HWRWLRVSIMAYKJ-QHCPKHFHSA-N 2 0 396.531 3.562 20 10 GHCDRP CC[N@@H+](Cc1ccc(N2CCOCC2)cc1)CC1CCN(c2ccccn2)CC1 ZINC000093564663 912344475 /nfs/dbraw/zinc/34/44/75/912344475.db2.gz ADMPMFZEXHRVEC-UHFFFAOYSA-N 2 0 394.563 3.657 20 10 GHCDRP CC[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccc(C)cc1O ZINC000794812674 888184304 /nfs/dbraw/zinc/18/43/04/888184304.db2.gz YMIDCEIGOAVAEF-JOCHJYFZSA-N 2 0 395.547 3.767 20 10 GHCDRP COc1cccc(C[NH2+]CCc2ccc(OCC[NH+]3C[C@@H](C)[C@H](C)C3)cc2)c1O ZINC000774825169 913624735 /nfs/dbraw/zinc/62/47/35/913624735.db2.gz RORRLMHRROFDQK-RTBURBONSA-N 2 0 398.547 3.700 20 10 GHCDRP CCO[P@](C)(=O)CC[C@H](C)[NH2+]Cc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000877011939 893433417 /nfs/dbraw/zinc/43/34/17/893433417.db2.gz KTYLDSGZPHGTGJ-SOKVYYICSA-N 2 0 399.491 3.780 20 10 GHCDRP CC[NH+]1CCN(Cc2ccc(C[NH2+]Cc3ccc4ccccc4c3O)cc2)CC1 ZINC000816535549 894905944 /nfs/dbraw/zinc/90/59/44/894905944.db2.gz SAYHCJFSOSUVII-UHFFFAOYSA-N 2 0 389.543 3.973 20 10 GHCDRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000823697187 899192956 /nfs/dbraw/zinc/19/29/56/899192956.db2.gz HSBPWLVFPKNHPJ-NRFANRHFSA-N 2 0 393.575 3.708 20 10 GHCDRP CN(Cc1cccs1)c1ccc(C[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000823842838 899274393 /nfs/dbraw/zinc/27/43/93/899274393.db2.gz RSNARABPXIWAHP-HXUWFJFHSA-N 2 0 398.620 3.643 20 10 GHCDRP CCCOc1ccc(C[NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)cc1C ZINC001177636791 908684260 /nfs/dbraw/zinc/68/42/60/908684260.db2.gz GNBRUUVEWLMGLG-HSZRJFAPSA-N 2 0 381.564 3.862 20 10 GHCDRP C[NH+](C)CCOc1ccc(CC[NH2+]Cc2ccc(N3CCCCC3)cc2)cc1 ZINC001177783748 908754899 /nfs/dbraw/zinc/75/48/99/908754899.db2.gz DPSPRVIVBVOTCS-UHFFFAOYSA-N 2 0 381.564 3.950 20 10 GHCDRP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1ccc(C(F)(F)F)cn1 ZINC000903086936 922761517 /nfs/dbraw/zinc/76/15/17/922761517.db2.gz CIPJXXYUBPPODQ-HNNXBMFYSA-N 2 0 378.442 3.703 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH+]3CCC(c4cccc(O)c4)CC3)cc2)CC1 ZINC001140309768 1021370370 /nfs/dbraw/zinc/37/03/70/1021370370.db2.gz UCWMUGJQIHRBMD-UHFFFAOYSA-N 2 0 379.548 3.914 20 10 GHCDRP Cc1c(O)ccc(C[NH+]2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)c1O ZINC001140744666 1022411871 /nfs/dbraw/zinc/41/18/71/1022411871.db2.gz GOXVLVZXJRXFAB-UHFFFAOYSA-N 2 0 381.520 3.678 20 10 GHCDRP C[N@@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3ccc(N4CCCCC4)cc3)C2)C1 ZINC001138216830 1024383718 /nfs/dbraw/zinc/38/37/18/1024383718.db2.gz MTUXSBAHMLAIRP-ILBGXUMGSA-N 2 0 397.607 3.857 20 10 GHCDRP C[C@@H]1CN(c2ccc(C[NH2+]C3CCN(c4cc[nH+]cc4)CC3)cc2F)C[C@@H](C)O1 ZINC000838906016 1025433269 /nfs/dbraw/zinc/43/32/69/1025433269.db2.gz HBYKLIGDKPVTJI-QZTJIDSGSA-N 2 0 398.526 3.593 20 10 GHCDRP [NH3+]CCN(c1cccc2c1NC(=O)C21CC[NH2+]CC1)c1cccc2ccccc21 ZINC001162008179 1025535216 /nfs/dbraw/zinc/53/52/16/1025535216.db2.gz WIINQCSSNFEIBG-UHFFFAOYSA-N 2 0 386.499 3.510 20 10 GHCDRP c1nc2cc(NCc3ccc4c(c3)CC[NH2+]C4)ccc2n1[C@@H]1CCC[NH2+]CC1 ZINC001162807764 1025925109 /nfs/dbraw/zinc/92/51/09/1025925109.db2.gz RGCWHNLLLRPVFS-OAQYLSRUSA-N 2 0 375.520 3.609 20 10 GHCDRP COc1cc(C[NH+]2CCC(Oc3ccccc3C)CC2)cc(C[NH+](C)C)c1O ZINC001139252936 1026102999 /nfs/dbraw/zinc/10/29/99/1026102999.db2.gz GGDNKWJBLSSZDK-UHFFFAOYSA-N 2 0 384.520 3.814 20 10 GHCDRP COc1cccc([C@H]2CCC[N@H+](Cc3cc(C[NH+](C)C)c(O)c(OC)c3)C2)c1 ZINC001139261097 1026111708 /nfs/dbraw/zinc/11/17/08/1026111708.db2.gz UPDFKAYSJNGGQB-IBGZPJMESA-N 2 0 384.520 3.851 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH+]3CCC(COc4ccccc4)CC3)cc2)CC1 ZINC001139408672 1026280554 /nfs/dbraw/zinc/28/05/54/1026280554.db2.gz BZUULMFHOJQYOJ-UHFFFAOYSA-N 2 0 379.548 3.729 20 10 GHCDRP COc1cccc([C@H]2CCC[N@H+](Cc3ccc(N4CC[NH+](C)CC4)cc3)C2)c1 ZINC001139410770 1026281943 /nfs/dbraw/zinc/28/19/43/1026281943.db2.gz CVMPQKGZKPHBLF-QFIPXVFZSA-N 2 0 379.548 3.827 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCSC[C@@H]3c3ccc(F)cc3)cc2)CC1 ZINC001139412353 1026286030 /nfs/dbraw/zinc/28/60/30/1026286030.db2.gz ICBZZSGIPWDLET-JOCHJYFZSA-N 2 0 385.552 3.868 20 10 GHCDRP Oc1cc(N2CC[NH2+]CC2)ccc1C[NH+]1CCC(Cc2cccc(Cl)c2)CC1 ZINC001206710968 1026861229 /nfs/dbraw/zinc/86/12/29/1026861229.db2.gz BSPAXOHTOQRPCC-UHFFFAOYSA-N 2 0 399.966 3.910 20 10 GHCDRP OC1CC[NH+](Cc2ccccc2C[NH2+]Cc2ccc(N3CCCC3)cc2)CC1 ZINC001461264988 1069468914 /nfs/dbraw/zinc/46/89/14/1069468914.db2.gz UXPZQLICOZBAGK-UHFFFAOYSA-N 2 0 379.548 3.533 20 10 GHCDRP [NH3+]CC1(c2ccccc2)CC[NH+](Cc2cc3c4c(c2)CCCN4CCC3)CC1 ZINC001206755505 1033970480 /nfs/dbraw/zinc/97/04/80/1033970480.db2.gz KUEXMTUYRAVUAA-UHFFFAOYSA-N 2 0 375.560 3.878 20 10 GHCDRP CC(C)[NH+]1CCC(C[N@H+](C)Cc2ccc(N3CCOCC3)c(Cl)c2)CC1 ZINC001232203229 1035160043 /nfs/dbraw/zinc/16/00/43/1035160043.db2.gz QFLISGMERLYSHH-UHFFFAOYSA-N 2 0 379.976 3.729 20 10 GHCDRP FC(F)(F)Oc1ccc(N2CC[NH+]([C@@H]3CCC4(C3)CC[NH2+]CC4)CC2)cc1 ZINC001246995829 1037821225 /nfs/dbraw/zinc/82/12/25/1037821225.db2.gz MZHRXJPYCJIEED-QGZVFWFLSA-N 2 0 383.458 3.630 20 10 GHCDRP c1ccc2oc(-c3ccc(N4CC[NH+]([C@H]5CCC6(C[NH2+]C6)C5)CC4)cc3)nc2c1 ZINC001247008022 1037831526 /nfs/dbraw/zinc/83/15/26/1037831526.db2.gz XQPGHWXGGZNUCR-FQEVSTJZSA-N 2 0 388.515 3.759 20 10 GHCDRP Oc1cc(O)c(C[NH+]2CCC3(CC[N@H+](Cc4ccoc4)C3)CC2)cc1Cl ZINC001232261810 1037983294 /nfs/dbraw/zinc/98/32/94/1037983294.db2.gz PRFFYARXSCYJGH-UHFFFAOYSA-N 2 0 376.884 3.832 20 10 GHCDRP Oc1cc(O)c(C[NH+]2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)cc1Cl ZINC001232261148 1037983473 /nfs/dbraw/zinc/98/34/73/1037983473.db2.gz DHBNKEZDPBKTDM-UHFFFAOYSA-N 2 0 387.911 3.634 20 10 GHCDRP Clc1cc(N2CCOCC2)ccc1C[N@@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235156242 1040648600 /nfs/dbraw/zinc/64/86/00/1040648600.db2.gz NMJQXUNOTSLWNJ-NRFANRHFSA-N 2 0 377.960 3.531 20 10 GHCDRP COc1cc(Br)cc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)c1O ZINC001235232257 1040712691 /nfs/dbraw/zinc/71/26/91/1040712691.db2.gz WYQCKNQYNNNQES-MRXNPFEDSA-N 2 0 383.330 3.517 20 10 GHCDRP Cc1ccc2c(c1)C1(CC2)CC[NH+](Cc2ccc(N3CC[NH2+]CC3)cc2O)CC1 ZINC001235606733 1041020859 /nfs/dbraw/zinc/02/08/59/1041020859.db2.gz HJQVMJWPAWYRIQ-UHFFFAOYSA-N 2 0 391.559 3.590 20 10 GHCDRP COCC[N@H+](Cc1c(O)ccc2cc(Br)ccc21)C1CC[NH2+]CC1 ZINC001235944410 1041449390 /nfs/dbraw/zinc/44/93/90/1041449390.db2.gz NLSNMBSJJVIEPS-UHFFFAOYSA-N 2 0 393.325 3.508 20 10 GHCDRP CC[N@H+](Cc1cccc(C(F)(F)F)c1)Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001236286778 1041661208 /nfs/dbraw/zinc/66/12/08/1041661208.db2.gz OUXVDPIDWWFDNT-UHFFFAOYSA-N 2 0 393.453 3.843 20 10 GHCDRP COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(N3CC[NH+](C)CC3)cc2F)cc1 ZINC001236940404 1041965517 /nfs/dbraw/zinc/96/55/17/1041965517.db2.gz PVIKQIJFDYIFOX-QHCPKHFHSA-N 2 0 383.511 3.923 20 10 GHCDRP Cc1cccc(O)c1C[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCC2CC2)C1 ZINC001237485653 1042228453 /nfs/dbraw/zinc/22/84/53/1042228453.db2.gz JIDLPEHUIIMHPO-QPPBQGQZSA-N 2 0 384.564 3.661 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH2+]CCOc3cccc4ccccc43)cc2)CC1 ZINC001308207007 1049912386 /nfs/dbraw/zinc/91/23/86/1049912386.db2.gz FPCZIFAAUYJUTL-UHFFFAOYSA-N 2 0 375.516 3.760 20 10 GHCDRP Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC001327857045 1050299958 /nfs/dbraw/zinc/29/99/58/1050299958.db2.gz XEYCFWPHYDVAKM-UYAOXDASSA-N 2 0 379.548 3.832 20 10 GHCDRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccc(N3CCCCC3)c(Br)c2)C1 ZINC000848563372 1057180015 /nfs/dbraw/zinc/18/00/15/1057180015.db2.gz SKBUTGVYQAUWHQ-CALCHBBNSA-N 2 0 380.374 3.869 20 10 GHCDRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC001474234039 1074302408 /nfs/dbraw/zinc/30/24/08/1074302408.db2.gz IQWYMUDGSZAEHA-SIKLNZKXSA-N 2 0 397.538 3.520 20 10 GHCDRP COc1cc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c(O)c(C(C)(C)C)c1 ZINC000164437872 854009049 /nfs/dbraw/zinc/00/90/49/854009049.db2.gz YYQHULDDSYZROF-UHFFFAOYSA-N 2 0 390.568 3.775 20 10 GHCDRP Cc1cc(O)c(C[NH+]2CC[C@@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)cc1C ZINC000856560180 881440697 /nfs/dbraw/zinc/44/06/97/881440697.db2.gz KWNPTGMMRZDACT-JOCHJYFZSA-N 2 0 383.536 3.898 20 10 GHCDRP CC[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)c1ccc(N(C)C)cc1 ZINC000161188308 859693962 /nfs/dbraw/zinc/69/39/62/859693962.db2.gz ZNSSMBLMVJODCK-XMMPIXPASA-N 2 0 381.564 3.950 20 10 GHCDRP CCN(C)c1ccc([C@H](C)[NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)cc1 ZINC000765682575 860404377 /nfs/dbraw/zinc/40/43/77/860404377.db2.gz JUVDKTLKNHRVBD-GBXCKJPGSA-N 2 0 380.580 3.782 20 10 GHCDRP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2cc3oc4ccccc4c3cc2O)CC1 ZINC000738171862 865501925 /nfs/dbraw/zinc/50/19/25/865501925.db2.gz SZEGPPYECHTHAZ-LJQANCHMSA-N 2 0 393.531 3.894 20 10 GHCDRP COc1ccc(N2CCC([NH2+]C[C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000793206236 882032929 /nfs/dbraw/zinc/03/29/29/882032929.db2.gz DDOUKMNRJZUQPM-NRFANRHFSA-N 2 0 379.548 3.776 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH+]3CCC(OCC4CCCCC4)CC3)cc2)CC1 ZINC000775665930 872520956 /nfs/dbraw/zinc/52/09/56/872520956.db2.gz OGOQSSHAMDOPPS-UHFFFAOYSA-N 2 0 385.596 4.000 20 10 GHCDRP C[C@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@H](c2ccc(F)cc2)O1 ZINC000775715129 873094128 /nfs/dbraw/zinc/09/41/28/873094128.db2.gz CLKTXAQGTKIOEA-FDDCHVKYSA-N 2 0 383.511 3.540 20 10 GHCDRP Fc1cc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)ccc1N1CCOCC1 ZINC000769513662 874121174 /nfs/dbraw/zinc/12/11/74/874121174.db2.gz FBABIGJBHXEMST-UHFFFAOYSA-N 2 0 389.559 3.750 20 10 GHCDRP C[NH+](C)[C@H](CNC(=O)C[N@H+](Cc1ccccc1O)C1CCCC1)c1ccccc1 ZINC000771761355 875469183 /nfs/dbraw/zinc/46/91/83/875469183.db2.gz KRXVQCUSYNLCFW-JOCHJYFZSA-N 2 0 395.547 3.556 20 10 GHCDRP Cc1cc(C)c([C@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)c(O)c1 ZINC000788640588 878231933 /nfs/dbraw/zinc/23/19/33/878231933.db2.gz BIMBEKCYQIQSRO-IBGZPJMESA-N 2 0 395.547 3.685 20 10 GHCDRP COc1ccc([C@H](C)[C@@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)cc1OC ZINC001183525868 912584540 /nfs/dbraw/zinc/58/45/40/912584540.db2.gz ISNZREVPVJZYDL-RTBURBONSA-N 2 0 397.563 3.737 20 10 GHCDRP Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)c1O ZINC000808677804 886678976 /nfs/dbraw/zinc/67/89/76/886678976.db2.gz DPDVYZCVOUUJJH-QGZVFWFLSA-N 2 0 387.955 3.952 20 10 GHCDRP OC1CCN(c2ccc(C[NH2+]CC3CC[NH+](Cc4ccccc4)CC3)cc2)CC1 ZINC000876968375 893413685 /nfs/dbraw/zinc/41/36/85/893413685.db2.gz HEEFFGFEGBJWIC-UHFFFAOYSA-N 2 0 393.575 3.650 20 10 GHCDRP OC1CCN(c2ccc(C[NH2+]C[C@@H]3CCC[N@H+](Cc4ccccc4)C3)cc2)CC1 ZINC000876989031 893421732 /nfs/dbraw/zinc/42/17/32/893421732.db2.gz RVALGNNOKZANMQ-QHCPKHFHSA-N 2 0 393.575 3.650 20 10 GHCDRP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]Cc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000877011938 893432661 /nfs/dbraw/zinc/43/26/61/893432661.db2.gz KTYLDSGZPHGTGJ-CRYYWNKWSA-N 2 0 399.491 3.780 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cc(Br)ccc3F)cc2)CC1 ZINC000815147335 893521009 /nfs/dbraw/zinc/52/10/09/893521009.db2.gz TZDRAGYJXMCWQZ-UHFFFAOYSA-N 2 0 392.316 3.630 20 10 GHCDRP COc1ccc(N2CC[C@H](C[NH2+][C@@H](C)c3ccc(OCC[NH+](C)C)cc3)C2)cc1 ZINC000818345727 896125783 /nfs/dbraw/zinc/12/57/83/896125783.db2.gz XJZRESIGNHGNTA-VQTJNVASSA-N 2 0 397.563 3.813 20 10 GHCDRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3ccc(OCc4ccccc4)cc3O)C2)C1 ZINC000844903331 901486533 /nfs/dbraw/zinc/48/65/33/901486533.db2.gz XOACBWZLRFDHOW-YZUZCNPQSA-N 2 0 396.531 3.690 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH2+]C3CCC(Oc4ccccc4)CC3)cc2)CC1 ZINC001173197157 906283375 /nfs/dbraw/zinc/28/33/75/906283375.db2.gz DBJDNBZHHUGNSP-UHFFFAOYSA-N 2 0 379.548 3.918 20 10 GHCDRP COCc1c(C)cc(C)c(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)c1C ZINC001179453693 909535710 /nfs/dbraw/zinc/53/57/10/909535710.db2.gz NHWQVQOPKQOWGV-UHFFFAOYSA-N 2 0 381.564 3.800 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@H]([C@H]4CCOC4)C3)cc2F)CC1 ZINC000798493828 932670965 /nfs/dbraw/zinc/67/09/65/932670965.db2.gz UETZRVMZZKFTED-PCCBWWKXSA-N 2 0 389.559 3.653 20 10 GHCDRP Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC001116585198 933648089 /nfs/dbraw/zinc/64/80/89/933648089.db2.gz SOCVDOYRGWHTEP-WIYYLYMNSA-N 2 0 379.548 3.786 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H](C(=O)c4ccccc4)C3)cc2)CC1 ZINC001140309611 1021369877 /nfs/dbraw/zinc/36/98/77/1021369877.db2.gz NTEAGUOUYJUVMM-JOCHJYFZSA-N 2 0 377.532 3.533 20 10 GHCDRP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1cc(F)ccc1O ZINC000756779322 1023812475 /nfs/dbraw/zinc/81/24/75/1023812475.db2.gz JBYRGCFTOIGTAL-KRWDZBQOSA-N 2 0 383.511 3.914 20 10 GHCDRP COc1cc(C[N@H+](C)Cc2ccc(N3CCCC3)cc2)cc(C[NH+](C)C)c1O ZINC001139256820 1026105917 /nfs/dbraw/zinc/10/59/17/1026105917.db2.gz LUUGFTHNPBODQY-UHFFFAOYSA-N 2 0 383.536 3.695 20 10 GHCDRP COc1cc(C[N@@H+]2CCC[C@@H](Oc3ccc(C)cc3)C2)cc(C[NH+](C)C)c1O ZINC001139256935 1026106220 /nfs/dbraw/zinc/10/62/20/1026106220.db2.gz NEHKDVNDMOHVSR-OAQYLSRUSA-N 2 0 384.520 3.814 20 10 GHCDRP CN(C)c1ccc(C[NH+]2CCC3(C[C@@H]([N@H+](C)Cc4ccco4)CO3)CC2)cc1 ZINC001203932005 1027724056 /nfs/dbraw/zinc/72/40/56/1027724056.db2.gz OBYTXDHNOYIFDH-OAQYLSRUSA-N 2 0 383.536 3.601 20 10 GHCDRP COc1cc(Cl)cc(C[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c1O ZINC000841074561 1028094464 /nfs/dbraw/zinc/09/44/64/1028094464.db2.gz YNQLMLLOJVLPEE-MAUKXSAKSA-N 2 0 378.875 3.676 20 10 GHCDRP COc1ccc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1Cn1cccn1 ZINC001461460220 1069559820 /nfs/dbraw/zinc/55/98/20/1069559820.db2.gz KEZFAPMREVXCFP-JOCHJYFZSA-N 2 0 390.531 3.552 20 10 GHCDRP COc1ccc(C[N@@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)c(O)c1 ZINC001222576106 1030208298 /nfs/dbraw/zinc/20/82/98/1030208298.db2.gz QEQSJLJSOABWST-NRFANRHFSA-N 2 0 396.531 3.704 20 10 GHCDRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](Oc2ccc(N4CC[NH2+]CC4)cc2)C3)cc1 ZINC001218344079 1030904696 /nfs/dbraw/zinc/90/46/96/1030904696.db2.gz PDSPEVGPDDGPFI-ACHVPNTGSA-N 2 0 377.532 3.671 20 10 GHCDRP C[N@H+](CCC=C1c2ccccc2CCc2ccccc21)CC1(O)CC[NH2+]CC1 ZINC001246050857 1037163063 /nfs/dbraw/zinc/16/30/63/1037163063.db2.gz GWLSJQZEMHAIIA-UHFFFAOYSA-N 2 0 376.544 3.653 20 10 GHCDRP Clc1ccc(N2CCC([NH2+]Cc3ccc(N4CC[NH2+]CC4)cc3)CC2)cc1 ZINC001246173737 1037221856 /nfs/dbraw/zinc/22/18/56/1037221856.db2.gz METCZYUMNNDVDA-UHFFFAOYSA-N 2 0 384.955 3.508 20 10 GHCDRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CC[NH2+]CC3)cc2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001246171858 1037222045 /nfs/dbraw/zinc/22/20/45/1037222045.db2.gz FQRCODYVDYLVGZ-RUMRUAAYSA-N 3 0 392.591 3.627 20 10 GHCDRP CC1(C)C[C@@H]([NH2+]Cc2ccc(N3CC[NH2+]CC3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001246173887 1037224783 /nfs/dbraw/zinc/22/47/83/1037224783.db2.gz NHSNHXLTPSBEJS-QHCPKHFHSA-N 3 0 392.591 3.629 20 10 GHCDRP CCCC[C@H](CC)COC[C@@H](O)C[NH2+]C1CC[NH+](Cc2ccccc2O)CC1 ZINC001253032789 1039368498 /nfs/dbraw/zinc/36/84/98/1039368498.db2.gz XNIOTIWNDYJVJC-UGKGYDQZSA-N 2 0 392.584 3.540 20 10 GHCDRP Oc1c(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cccc1OC(F)(F)F ZINC001233760985 1039596165 /nfs/dbraw/zinc/59/61/65/1039596165.db2.gz NMBNWOPXALQTFP-HDICACEKSA-N 2 0 392.421 3.855 20 10 GHCDRP CCN(CC)c1ccc(C[N@@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)c(O)c1 ZINC001235366644 1040859189 /nfs/dbraw/zinc/85/91/89/1040859189.db2.gz DWWYPLDDKMUAQQ-RCZVLFRGSA-N 2 0 393.575 3.992 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH2+]C3CCC(c4ccc(O)cc4)CC3)cc2)CC1 ZINC001462541899 1070343248 /nfs/dbraw/zinc/34/32/48/1070343248.db2.gz HXFAMJYARZXHPK-UHFFFAOYSA-N 2 0 379.548 3.960 20 10 GHCDRP COc1cc(O)c(C[N@H+](Cc2ccccc2F)[C@H]2CC[C@H]([NH3+])CC2)c(OC)c1 ZINC001236536415 1041755929 /nfs/dbraw/zinc/75/59/29/1041755929.db2.gz DBGJDYLJQUPXFK-QAQDUYKDSA-N 2 0 388.483 3.821 20 10 GHCDRP COC(=O)c1c(C[N@H+](CC2CCC2)[C@H]2CC[C@H]([NH3+])CC2)c2ccccc2n1C ZINC001236541689 1041756713 /nfs/dbraw/zinc/75/67/13/1041756713.db2.gz QYAIZXYFYCDKRM-IYARVYRRSA-N 2 0 383.536 3.837 20 10 GHCDRP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccc(N3CCOCC3)cc2Cl)CC2CC2)CC1 ZINC001236551288 1041759544 /nfs/dbraw/zinc/75/95/44/1041759544.db2.gz NWLRDMAABLJJGB-WGSAOQKQSA-N 2 0 377.960 3.659 20 10 GHCDRP CCc1ccc(C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)c(O)c1 ZINC001236788408 1041894171 /nfs/dbraw/zinc/89/41/71/1041894171.db2.gz TYYAIVBDCOKBIH-NOZRDPDXSA-N 2 0 398.591 3.915 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH+]3CCC(OCc4ccccc4)CC3)c(F)c2)CC1 ZINC001236934194 1041964198 /nfs/dbraw/zinc/96/41/98/1041964198.db2.gz CTCMNFXHLNCGLW-UHFFFAOYSA-N 2 0 397.538 3.759 20 10 GHCDRP COc1cccc([C@H]2CC[N@H+](Cc3ccc(N4CC[NH+](C)CC4)cc3F)C2)c1 ZINC001236946201 1041966769 /nfs/dbraw/zinc/96/67/69/1041966769.db2.gz MECRDEFADIMITL-IBGZPJMESA-N 2 0 383.511 3.576 20 10 GHCDRP C[C@@H](c1cccc(Br)c1)[N@H+](C)Cc1cc2c(cc1O)OCC[NH2+]C2 ZINC001237057883 1042014160 /nfs/dbraw/zinc/01/41/60/1042014160.db2.gz OIQXYHRHUHOJFZ-ZDUSSCGKSA-N 2 0 391.309 3.830 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH+]3CCC4(Cc5ccccc5N4)CC3)c(F)c2)CC1 ZINC001237345940 1042158728 /nfs/dbraw/zinc/15/87/28/1042158728.db2.gz NMBREBMYVPWNQI-UHFFFAOYSA-N 2 0 394.538 3.580 20 10 GHCDRP COc1cc(C[N@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)c(O)c(OC)c1 ZINC001237679660 1042320281 /nfs/dbraw/zinc/32/02/81/1042320281.db2.gz XNRVOLQXTCZNFU-UHFFFAOYSA-N 2 0 384.520 3.753 20 10 GHCDRP Oc1ccccc1CN1CCC([NH2+]C2CCN(c3cccc(F)c3)CC2)CC1 ZINC001258415622 1044548290 /nfs/dbraw/zinc/54/82/90/1044548290.db2.gz ADKJYAZQGXJTQW-UHFFFAOYSA-N 2 0 383.511 3.754 20 10 GHCDRP Oc1cc(O)c(C[NH+]2CCC3(CC[N@H+](Cc4ccc[nH]4)C3)CC2)cc1Cl ZINC001279572471 1047841830 /nfs/dbraw/zinc/84/18/30/1047841830.db2.gz JVYBBCVPBJFGND-UHFFFAOYSA-N 2 0 375.900 3.567 20 10 GHCDRP CCc1cccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c1O ZINC000848914924 1057418226 /nfs/dbraw/zinc/41/82/26/1057418226.db2.gz VKXGUNMFGYOWMQ-HSZRJFAPSA-N 2 0 394.559 3.973 20 10 GHCDRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC001474234038 1074302961 /nfs/dbraw/zinc/30/29/61/1074302961.db2.gz IQWYMUDGSZAEHA-KNQAVFIVSA-N 2 0 397.538 3.520 20 10 GHCDRP COc1ccc(C[NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)c(O)c1OC ZINC000893019012 839947668 /nfs/dbraw/zinc/94/76/68/839947668.db2.gz PKHWOQSVFWPBJL-UHFFFAOYSA-N 2 0 396.487 3.924 20 10 GHCDRP CC[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1cc(Br)ccc1O ZINC000155894571 840372568 /nfs/dbraw/zinc/37/25/68/840372568.db2.gz MMNCDHXOGGWLEM-KSSFIOAISA-N 2 0 397.357 3.696 20 10 GHCDRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2cccc(OC)c2O)CC1 ZINC000105464697 845996465 /nfs/dbraw/zinc/99/64/65/845996465.db2.gz RJEYVGOHIDQURD-MRXNPFEDSA-N 2 0 387.499 3.533 20 10 GHCDRP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cc(Cl)ccc3O)C2)ccn1 ZINC000856552991 881380123 /nfs/dbraw/zinc/38/01/23/881380123.db2.gz JRILPZMWKQSYFD-IBGZPJMESA-N 2 0 375.900 3.546 20 10 GHCDRP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cc(Cl)ccc3O)C2)ccn1 ZINC000856552992 881381080 /nfs/dbraw/zinc/38/10/80/881381080.db2.gz JRILPZMWKQSYFD-LJQANCHMSA-N 2 0 375.900 3.546 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH+]3CCC(C[NH+]4CCCCCC4)CC3)cc2)CC1 ZINC000775652963 872387067 /nfs/dbraw/zinc/38/70/67/872387067.db2.gz XEIZUWIRARCUSP-UHFFFAOYSA-N 3 0 384.612 3.526 20 10 GHCDRP CN1CCCc2cc(C[NH2+]Cc3c(Cl)cccc3N3CC[NH+](C)CC3)ccc21 ZINC000770730149 874836564 /nfs/dbraw/zinc/83/65/64/874836564.db2.gz RWOSASONXHREGW-UHFFFAOYSA-N 2 0 398.982 3.764 20 10 GHCDRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000105464690 875299958 /nfs/dbraw/zinc/29/99/58/875299958.db2.gz LHKNPSCPDWGXIA-KRWDZBQOSA-N 2 0 383.511 3.753 20 10 GHCDRP COc1cc(O)c(C[NH2+]CC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cc1OC ZINC000776251990 876030956 /nfs/dbraw/zinc/03/09/56/876030956.db2.gz HVRIGPABYBQRNA-IEBWSBKVSA-N 2 0 384.520 3.800 20 10 GHCDRP FC(F)Oc1ccc(N2CCC[C@H]([NH2+]Cc3ccnn3-c3cc[nH+]cc3)C2)cc1 ZINC000850165318 876705966 /nfs/dbraw/zinc/70/59/66/876705966.db2.gz YIEDDZDQVZGHGJ-INIZCTEOSA-N 2 0 399.445 3.627 20 10 GHCDRP COc1cc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c(O)c(C(C)(C)C)c1 ZINC000850194287 876722258 /nfs/dbraw/zinc/72/22/58/876722258.db2.gz DGEYGWASCQZUPC-NHCUHLMSSA-N 2 0 390.568 3.556 20 10 GHCDRP c1ccc(CN2CCc3cc(C[NH2+]C4CCN([C@H]5CCOC5)CC4)ccc32)cc1 ZINC000850396418 876877696 /nfs/dbraw/zinc/87/76/96/876877696.db2.gz JWLYCBORHAIMIS-DEOSSOPVSA-N 2 0 391.559 3.592 20 10 GHCDRP C[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1ccc(Br)cc1O ZINC000850483143 876957007 /nfs/dbraw/zinc/95/70/07/876957007.db2.gz NSSJQSMLKBYRBZ-AWEZNQCLSA-N 2 0 397.357 3.696 20 10 GHCDRP COc1ccc(N2CC[C@@H]([NH2+][C@H](C)c3ccc(OCC[NH+](C)C)cc3)C2)cc1 ZINC000850488813 876966477 /nfs/dbraw/zinc/96/64/77/876966477.db2.gz OVTRRKMCKWUKCY-UYAOXDASSA-N 2 0 383.536 3.565 20 10 GHCDRP CN(C)c1ccc(CN2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c(C(F)(F)F)c1 ZINC000863646214 887259333 /nfs/dbraw/zinc/25/93/33/887259333.db2.gz QRAUWTLZPNPMLS-TZMCWYRMSA-N 2 0 383.380 3.731 20 10 GHCDRP CC[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(C(F)(F)F)cc1O ZINC000810219883 888296768 /nfs/dbraw/zinc/29/67/68/888296768.db2.gz XGSBGYOIEMLGPB-RDTXWAMCSA-N 2 0 386.458 3.953 20 10 GHCDRP CCc1cc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000763338018 888522938 /nfs/dbraw/zinc/52/29/38/888522938.db2.gz OLLGHNSOMRGCQY-AVRDEDQJSA-N 2 0 387.612 3.710 20 10 GHCDRP Cc1ccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c(O)c1 ZINC000877553038 893685797 /nfs/dbraw/zinc/68/57/97/893685797.db2.gz YVKISHIGOSOJSM-JOCHJYFZSA-N 2 0 380.532 3.719 20 10 GHCDRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)CC1 ZINC000815561030 893999942 /nfs/dbraw/zinc/99/99/42/893999942.db2.gz WJHCCNKWWBEOMN-FQEVSTJZSA-N 2 0 381.564 3.997 20 10 GHCDRP C[NH+]1CCN(Cc2ccc(C[NH2+]Cc3ccc4ccccc4c3O)cc2)CC1 ZINC000816535197 894904475 /nfs/dbraw/zinc/90/44/75/894904475.db2.gz JDOGXVVZGPOFHS-UHFFFAOYSA-N 2 0 375.516 3.583 20 10 GHCDRP Cc1cccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c1O ZINC000816643435 894987002 /nfs/dbraw/zinc/98/70/02/894987002.db2.gz FRPSTMXOUPTEKF-JOCHJYFZSA-N 2 0 380.532 3.719 20 10 GHCDRP C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)cc2F)C[C@H](C)O1 ZINC000817888625 895930819 /nfs/dbraw/zinc/93/08/19/895930819.db2.gz NRIMHNYKQJEORT-IZHZWAPYSA-N 2 0 389.559 3.840 20 10 GHCDRP FC(F)Oc1ccc(N2CCC[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000817897928 895953875 /nfs/dbraw/zinc/95/38/75/895953875.db2.gz AUFYLCLEDJQFDU-YGWPLHOASA-N 2 0 379.495 3.767 20 10 GHCDRP COc1ccc(N2CC[C@@H](C[NH2+][C@@H](C)c3ccc(OCC[NH+](C)C)cc3)C2)cc1 ZINC000818345723 896125761 /nfs/dbraw/zinc/12/57/61/896125761.db2.gz XJZRESIGNHGNTA-PMACEKPBSA-N 2 0 397.563 3.813 20 10 GHCDRP COc1cccc([C@H](C)[NH2+]Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1O ZINC000846137695 902745211 /nfs/dbraw/zinc/74/52/11/902745211.db2.gz GAYQTMUBIJBMDU-KSZLIROESA-N 2 0 384.520 3.861 20 10 GHCDRP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001172863824 905918213 /nfs/dbraw/zinc/91/82/13/905918213.db2.gz QFCQSTJMZPDLQI-MRXNPFEDSA-N 2 0 375.919 3.952 20 10 GHCDRP c1nc(C2CC2)sc1C[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000092855965 911868316 /nfs/dbraw/zinc/86/83/16/911868316.db2.gz KBZXNWVKOLGODH-UHFFFAOYSA-N 2 0 382.577 3.842 20 10 GHCDRP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000248397885 912054806 /nfs/dbraw/zinc/05/48/06/912054806.db2.gz IJGLISJFBDVWTK-BJLQDIEVSA-N 2 0 389.559 3.966 20 10 GHCDRP CCN(Cc1ccccc1)c1ccc(C[NH2+]CCN2CCC([NH+](C)C)CC2)cc1 ZINC000749118750 924031301 /nfs/dbraw/zinc/03/13/01/924031301.db2.gz QRXFIPLRBLKGRK-UHFFFAOYSA-N 2 0 394.607 3.829 20 10 GHCDRP C[C@@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)c1cccc(C[NH+](C)C)c1 ZINC000924762150 931528100 /nfs/dbraw/zinc/52/81/00/931528100.db2.gz YFMJPNWFWCRRIQ-LJQANCHMSA-N 2 0 381.564 3.808 20 10 GHCDRP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1cc(-c2ccccc2)no1 ZINC000926853234 932327724 /nfs/dbraw/zinc/32/77/24/932327724.db2.gz DACVUIVLZNMNMF-GOSISDBHSA-N 2 0 376.504 3.944 20 10 GHCDRP CCCC[NH+]1CCC([N@H+](C)Cc2cc(Br)cc(OC)c2O)CC1 ZINC001204340426 1032783722 /nfs/dbraw/zinc/78/37/22/1032783722.db2.gz QOLFIFGTFBXKBH-UHFFFAOYSA-N 2 0 385.346 3.860 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH+]3CCC(Oc4ncccc4C)CC3)cc2)CC1 ZINC001140309867 1021370743 /nfs/dbraw/zinc/37/07/43/1021370743.db2.gz XVCLAKZURZPSNL-UHFFFAOYSA-N 2 0 394.563 3.575 20 10 GHCDRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H](C)c3ccc(C)c(C)c3O)cc2)CC1 ZINC000756432945 1023646886 /nfs/dbraw/zinc/64/68/86/1023646886.db2.gz LKMIPSWZWHJAEP-FQEVSTJZSA-N 2 0 381.564 3.997 20 10 GHCDRP COc1cc(C[NH+]2CCC(Oc3ccc(F)cc3)CC2)cc(C[NH+](C)C)c1O ZINC001139256876 1026106024 /nfs/dbraw/zinc/10/60/24/1026106024.db2.gz MDSLAJBBQFPXGZ-UHFFFAOYSA-N 2 0 388.483 3.645 20 10 GHCDRP COc1cccc(C2CC[NH+](Cc3cc(C[NH+](C)C)c(O)c(OC)c3)CC2)c1 ZINC001139259988 1026110030 /nfs/dbraw/zinc/11/00/30/1026110030.db2.gz GYXXBFKDKILZJK-UHFFFAOYSA-N 2 0 384.520 3.851 20 10 GHCDRP C[N@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1cc(Cl)ccc1O)CC2 ZINC001203656731 1027512006 /nfs/dbraw/zinc/51/20/06/1027512006.db2.gz WGBFFYRXXDSYGH-SFHVURJKSA-N 2 0 390.911 3.894 20 10 GHCDRP CN(C)c1ccc(/C=C/c2ccc(NC(=O)C[C@@H]([NH3+])CCCC[NH3+])cc2)cc1 ZINC001219203996 1031303237 /nfs/dbraw/zinc/30/32/37/1031303237.db2.gz ROKSYGGCYQDMRF-YJJPMGAVSA-N 2 0 380.536 3.708 20 10 GHCDRP Cc1ccc(C[N@@H+]2CCCC3(CC[NH+](Cc4cc(O)c(O)c(O)c4)CC3)C2)cc1 ZINC001233011831 1038769123 /nfs/dbraw/zinc/76/91/23/1038769123.db2.gz HATOLSBJQYVTOA-UHFFFAOYSA-N 2 0 396.531 3.990 20 10 GHCDRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(C(F)(F)F)cc1O)C2 ZINC001233453132 1039341661 /nfs/dbraw/zinc/34/16/61/1039341661.db2.gz WMFQJULFAIUHTM-QUCCMNQESA-N 2 0 398.469 3.591 20 10 GHCDRP c1ccc([C@H]2C[NH2+]C[C@@]23CC[N@@H+](Cc2cc4c5c(c2)CCCN5CCC4)C3)cc1 ZINC001235355879 1040833192 /nfs/dbraw/zinc/83/31/92/1040833192.db2.gz UXZSNJNMJUKVPJ-AOYPEHQESA-N 2 0 387.571 3.965 20 10 GHCDRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(C(C)(C)C)cc1O)C2 ZINC001235678799 1041141644 /nfs/dbraw/zinc/14/16/44/1041141644.db2.gz KYNRDVNWIVPYCD-QPPBQGQZSA-N 2 0 386.580 3.870 20 10 GHCDRP Clc1ccc(CO[C@@H]2CCC[N@H+](Cc3ccc(N4CC[NH2+]CC4)cc3)C2)cc1 ZINC001235708920 1041191983 /nfs/dbraw/zinc/19/19/83/1041191983.db2.gz BYFUPWPXCWMMPG-HSZRJFAPSA-N 2 0 399.966 3.931 20 10 GHCDRP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001462542809 1070344588 /nfs/dbraw/zinc/34/45/88/1070344588.db2.gz OHEOZWTXHKUAQH-LJQANCHMSA-N 2 0 394.563 3.508 20 10 GHCDRP Fc1ccc(CC2CC[NH+](Cc3ccc(N4CC[NH2+]CC4)cc3)CC2)c(F)c1 ZINC001236085560 1041525917 /nfs/dbraw/zinc/52/59/17/1041525917.db2.gz ROHZRUWKFIQMQU-UHFFFAOYSA-N 2 0 385.502 3.829 20 10 GHCDRP COc1cc(O)c(C[N@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)c(Br)c1 ZINC001236551112 1041758670 /nfs/dbraw/zinc/75/86/70/1041758670.db2.gz LVMXVDLAXZELCG-HDJSIYSDSA-N 2 0 383.330 3.645 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH+]3CCC4(CCNc5ccccc54)CC3)cc2)CC1 ZINC001237322027 1042146462 /nfs/dbraw/zinc/14/64/62/1042146462.db2.gz DUOGIIHLQCLFDB-UHFFFAOYSA-N 2 0 390.575 3.788 20 10 GHCDRP C[C@H]1C[C@H](NC2CC[NH+](Cc3ccccc3O)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256532742 1043467004 /nfs/dbraw/zinc/46/70/04/1043467004.db2.gz KCFDPNGCMJTFCP-GBXCKJPGSA-N 2 0 393.575 3.999 20 10 GHCDRP Oc1cc(O)c(C[NH+]2CCC3(C[NH+](CCCC(F)(F)F)C3)CC2)cc1Cl ZINC001279572323 1047842516 /nfs/dbraw/zinc/84/25/16/1047842516.db2.gz IXEUMYXKEZXGGL-UHFFFAOYSA-N 2 0 392.849 3.992 20 10 GHCDRP CCN(C)c1ccc([C@@H](C)[NH2+]Cc2cccc(CN3CC[NH+](C)CC3)c2)cc1 ZINC001319762774 1055452077 /nfs/dbraw/zinc/45/20/77/1055452077.db2.gz HZBQCJBNJMQAES-HXUWFJFHSA-N 2 0 380.580 3.741 20 10 GHCDRP Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2cccc(CN3CC[NH+](C)CC3)c2)c1O ZINC001323692902 1057001302 /nfs/dbraw/zinc/00/13/02/1057001302.db2.gz KOCIHEBSPIREEV-KRWDZBQOSA-N 2 0 387.955 3.952 20 10 GHCDRP Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC001337786140 1058262610 /nfs/dbraw/zinc/26/26/10/1058262610.db2.gz UYYBQUZWAXAAQW-HMXCVIKNSA-N 2 0 379.548 3.827 20 10 GHCDRP OC1CC[NH+](Cc2ccccc2C[NH2+]Cc2ccc(N3CCCCC3)cc2)CC1 ZINC001474035740 1074243591 /nfs/dbraw/zinc/24/35/91/1074243591.db2.gz ZZSOSJNXXJNODK-UHFFFAOYSA-N 2 0 393.575 3.923 20 10 GHCDRP Cc1c(NC(=O)C(C)(C)C)cc[nH+]c1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001167426206 839928100 /nfs/dbraw/zinc/92/81/00/839928100.db2.gz BPVUGJSVDSEOLT-UHFFFAOYSA-N 2 0 395.551 3.739 20 10 GHCDRP C[C@H]1CCCC[N@@H+]1Cc1ccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)nc1 ZINC001167426741 839928656 /nfs/dbraw/zinc/92/86/56/839928656.db2.gz KVQXWIMPHAJTTG-FQEVSTJZSA-N 2 0 393.579 3.820 20 10 GHCDRP Oc1ccc(Cl)cc1C[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000125501228 841928570 /nfs/dbraw/zinc/92/85/70/841928570.db2.gz CWPMWBJBGNULJL-UHFFFAOYSA-N 2 0 385.939 3.867 20 10 GHCDRP CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)c1 ZINC000856560414 881440532 /nfs/dbraw/zinc/44/05/32/881440532.db2.gz LQJNRZBSNXPGGY-JOCHJYFZSA-N 2 0 399.535 3.679 20 10 GHCDRP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](Cc2cc3oc4ccccc4c3cc2O)CC1 ZINC000738171859 865500210 /nfs/dbraw/zinc/50/02/10/865500210.db2.gz SZEGPPYECHTHAZ-IBGZPJMESA-N 2 0 393.531 3.894 20 10 GHCDRP COC1CCN(c2ccc(C[N@H+](C)Cc3ccc(C[NH+](C)C)cc3)cc2)CC1 ZINC000859212897 883665434 /nfs/dbraw/zinc/66/54/34/883665434.db2.gz OWJBXFRKBOHGET-UHFFFAOYSA-N 2 0 381.564 3.995 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3ccc(Cl)nc3)cc2F)CC1 ZINC000179123125 886695477 /nfs/dbraw/zinc/69/54/77/886695477.db2.gz JSFIZZGSZYTXQR-HNNXBMFYSA-N 2 0 376.907 3.867 20 10 GHCDRP C[N@H+](Cc1cc(-c2ccccc2)ccc1O)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000809741137 887777024 /nfs/dbraw/zinc/77/70/24/887777024.db2.gz KKMWJNMXJWUIJC-HSZRJFAPSA-N 2 0 379.548 3.660 20 10 GHCDRP CSC1(C[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)CC[NH+](C)CC1 ZINC000810171264 888232724 /nfs/dbraw/zinc/23/27/24/888232724.db2.gz YUYWFQHACHEMCH-UHFFFAOYSA-N 2 0 375.504 3.688 20 10 GHCDRP COc1ccc(C)cc1C[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000125502341 892715829 /nfs/dbraw/zinc/71/58/29/892715829.db2.gz CVJJXTYLIDRFTA-UHFFFAOYSA-N 2 0 379.548 3.825 20 10 GHCDRP FC(F)Oc1ccc(N2CCC([NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000817903142 895956567 /nfs/dbraw/zinc/95/65/67/895956567.db2.gz ITPXBEMMDJLBBJ-HSALFYBXSA-N 2 0 379.495 3.767 20 10 GHCDRP CN(C)c1ccc([C@H]([NH3+])CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000817939185 895968601 /nfs/dbraw/zinc/96/86/01/895968601.db2.gz AHTVCKFXLQGHPE-CAUSLRQDSA-N 2 0 378.564 3.538 20 10 GHCDRP CC(C)[C@@H](C[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1)N1CC[NH+](C)CC1 ZINC000132516772 897813484 /nfs/dbraw/zinc/81/34/84/897813484.db2.gz OQQRPQKUQUQMQJ-ZJSXRUAMSA-N 2 0 386.628 3.990 20 10 GHCDRP COc1cccc([C@@H](C)[NH2+]CCCC[NH+]2CCN(c3cccc(C)c3)CC2)c1O ZINC000846139613 902745201 /nfs/dbraw/zinc/74/52/01/902745201.db2.gz XSPFJNMGPZCSHF-HXUWFJFHSA-N 2 0 397.563 3.962 20 10 GHCDRP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000132796249 903310577 /nfs/dbraw/zinc/31/05/77/903310577.db2.gz GNGRAQYFSKLPRR-RBUKOAKNSA-N 2 0 389.559 3.968 20 10 GHCDRP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000773067147 904408359 /nfs/dbraw/zinc/40/83/59/904408359.db2.gz FFBUHAZRFHHZMI-PDIWNELESA-N 2 0 389.559 3.844 20 10 GHCDRP CN1CCN(c2ccc(C[NH2+]CCc3coc(-c4ccccc4)n3)cc2F)CC1 ZINC001177590632 908654615 /nfs/dbraw/zinc/65/46/15/908654615.db2.gz UXWLTSYOGHLJHX-UHFFFAOYSA-N 2 0 394.494 3.565 20 10 GHCDRP Cc1cc(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)ccc1N1CCCCC1 ZINC000828554983 935660417 /nfs/dbraw/zinc/66/04/17/935660417.db2.gz IYDKQEOYNFIBEE-UHFFFAOYSA-N 2 0 398.639 3.976 20 10 GHCDRP Cc1nc(N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)cc(N2CCCC2)[nH+]1 ZINC001155628654 1032608042 /nfs/dbraw/zinc/60/80/42/1032608042.db2.gz BKEGCPOFGGHZMY-FBHSLPMESA-N 2 0 393.579 3.785 20 10 GHCDRP O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)c(F)c1 ZINC000778104251 1018546127 /nfs/dbraw/zinc/54/61/27/1018546127.db2.gz GVEOVCWAMKJDHV-UHFFFAOYSA-N 2 0 398.482 3.556 20 10 GHCDRP COc1cc(C[NH+]2CCC3(CC[C@H]3[N@H+](C)Cc3ccco3)CC2)cc(O)c1O ZINC001204346232 1032785363 /nfs/dbraw/zinc/78/53/63/1032785363.db2.gz HIMPKHRGPFSFHG-HXUWFJFHSA-N 2 0 386.492 3.576 20 10 GHCDRP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001461006418 1069332007 /nfs/dbraw/zinc/33/20/07/1069332007.db2.gz ZQRAICFZWHGIQA-UHFFFAOYSA-N 2 0 398.570 3.709 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H](c4cccc(OC)c4)C3)cc2)CC1 ZINC001140309746 1021370974 /nfs/dbraw/zinc/37/09/74/1021370974.db2.gz SODHINKWQWBKHO-JOCHJYFZSA-N 2 0 379.548 3.827 20 10 GHCDRP FC(F)(F)Oc1ccc(N2CC[NH+](Cc3c[nH]c4ccncc34)CC2)cc1 ZINC001140806816 1022581619 /nfs/dbraw/zinc/58/16/19/1022581619.db2.gz SUWLUXHKPAKOEP-UHFFFAOYSA-N 2 0 376.382 3.784 20 10 GHCDRP CCN(CC)c1ccc(C[N@H+]2C[C@H]3CN(Cc4cccs4)C[C@H]3C2)c(O)c1 ZINC001140853408 1022703888 /nfs/dbraw/zinc/70/38/88/1022703888.db2.gz WWOQJOUFPNTXKP-KDURUIRLSA-N 2 0 385.577 3.864 20 10 GHCDRP COc1cc(O)c(CN(Cc2ccc(F)cc2)C2CC[NH+](C)CC2)c(OC)c1 ZINC001141032387 1023299025 /nfs/dbraw/zinc/29/90/25/1023299025.db2.gz AEVSOHGUVYQOGR-UHFFFAOYSA-N 2 0 388.483 3.645 20 10 GHCDRP CN1CCOc2cc(C[NH+]3CCC4(CC[C@@H]4[N@H+](C)Cc4ccco4)CC3)ccc21 ZINC001141142402 1023574428 /nfs/dbraw/zinc/57/44/28/1023574428.db2.gz OIGJXCBCSQCQCS-QHCPKHFHSA-N 2 0 395.547 3.985 20 10 GHCDRP C[C@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1cc2c(cc1O)CCCC2 ZINC000756511299 1023691525 /nfs/dbraw/zinc/69/15/25/1023691525.db2.gz VBLQETSOUUMJRG-IBGZPJMESA-N 2 0 394.563 3.529 20 10 GHCDRP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1ccc(F)cc1[O-] ZINC000756779946 1023812984 /nfs/dbraw/zinc/81/29/84/1023812984.db2.gz OLXZJLIWVVIQFT-QGZVFWFLSA-N 2 0 383.511 3.914 20 10 GHCDRP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138339537 1024701221 /nfs/dbraw/zinc/70/12/21/1024701221.db2.gz HEHLRCZNRSNPLN-SFTDATJTSA-N 2 0 383.580 3.930 20 10 GHCDRP C[N@H+](Cc1ccc(Br)cc1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001139408604 1026280186 /nfs/dbraw/zinc/28/01/86/1026280186.db2.gz APBSAQVJJYKRBC-UHFFFAOYSA-N 2 0 388.353 3.833 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CC4(CCOCC4)[C@H]3c3ccccc3)cc2)CC1 ZINC000840962818 1027994398 /nfs/dbraw/zinc/99/43/98/1027994398.db2.gz JTGJOBGUMCLZFU-XMMPIXPASA-N 2 0 391.559 3.792 20 10 GHCDRP C[NH+]1CCN(c2ccc(-c3nc4cc(F)ccc4n3C3CC[NH2+]CC3)cc2)CC1 ZINC001247025977 1037845312 /nfs/dbraw/zinc/84/53/12/1037845312.db2.gz FVKBGVXTGLXKAU-UHFFFAOYSA-N 2 0 393.510 3.519 20 10 GHCDRP Cc1cc(N2CC[NH+](Cc3ccc(N(C)C)cc3O)CC2)c2ccccc2[nH+]1 ZINC001232836642 1038588775 /nfs/dbraw/zinc/58/87/75/1038588775.db2.gz SEVUCZWUDSYMCP-UHFFFAOYSA-N 2 0 376.504 3.637 20 10 GHCDRP CN(C)c1ccc(C[N@@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)c(O)c1 ZINC001232841162 1038592697 /nfs/dbraw/zinc/59/26/97/1038592697.db2.gz WCYFPNSVTDBTSW-LNGMVNIQSA-N 2 0 381.564 3.853 20 10 GHCDRP CC[N@H+](Cc1ccc(N(C)C)cc1)CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001254043211 1039971378 /nfs/dbraw/zinc/97/13/78/1039971378.db2.gz ZJOXMOMUYWCJBZ-UHFFFAOYSA-N 2 0 381.564 3.602 20 10 GHCDRP Clc1ccc2c(c1)C1(CC[NH+](Cc3ccc(N4CC[NH2+]CC4)cc3)CC1)OC2 ZINC001236062856 1041517654 /nfs/dbraw/zinc/51/76/54/1041517654.db2.gz CBFVLJUZOVRAKW-UHFFFAOYSA-N 2 0 397.950 3.771 20 10 GHCDRP Oc1cc(N2CC[NH2+]CC2)ccc1C[N@@H+]1CCC[C@@H]1c1c[nH]c2ccccc21 ZINC001236195211 1041612037 /nfs/dbraw/zinc/61/20/37/1041612037.db2.gz YKXHAVGIUHKETB-JOCHJYFZSA-N 2 0 376.504 3.620 20 10 GHCDRP COc1cc(N(C)C)ccc1C[N@@H+](Cc1ccc(F)cc1)CC1CC[NH2+]CC1 ZINC001236381092 1041690437 /nfs/dbraw/zinc/69/04/37/1041690437.db2.gz JMEXARNTODVYJJ-UHFFFAOYSA-N 2 0 385.527 3.902 20 10 GHCDRP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)C2CCC2)CC1 ZINC001236571863 1041766019 /nfs/dbraw/zinc/76/60/19/1041766019.db2.gz FQIPUBRLDLMUJI-UAPYVXQJSA-N 2 0 377.960 3.801 20 10 GHCDRP COc1cc(O)c(C[NH+]2CCC3(C[NH+](Cc4ccccc4)C3)CC2)cc1OC ZINC001236757740 1041875800 /nfs/dbraw/zinc/87/58/00/1041875800.db2.gz ONJMEYKIPJZDEV-UHFFFAOYSA-N 2 0 382.504 3.507 20 10 GHCDRP CCc1ccc(C[NH+]2CCC3(C[C@@H]([N@H+](C)Cc4ccccn4)CO3)CC2)c(O)c1 ZINC001236785584 1041891616 /nfs/dbraw/zinc/89/16/16/1041891616.db2.gz KZUDWFLSROJNSD-JOCHJYFZSA-N 2 0 395.547 3.605 20 10 GHCDRP CCOc1ccc(C[NH+]2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c(O)c1 ZINC001237041032 1042001950 /nfs/dbraw/zinc/00/19/50/1042001950.db2.gz OHDUSEOAKISZRL-UHFFFAOYSA-N 2 0 381.520 3.674 20 10 GHCDRP Cc1cccc(O)c1C[NH+]1CCC2(C[C@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001237487908 1042231319 /nfs/dbraw/zinc/23/13/19/1042231319.db2.gz FZVHAOLYEWFCAT-NRFANRHFSA-N 2 0 380.532 3.956 20 10 GHCDRP Cc1cc(Cl)cc(C[N@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)c1O ZINC001237687212 1042327356 /nfs/dbraw/zinc/32/73/56/1042327356.db2.gz WWYLEOWNHVXGSF-UHFFFAOYSA-N 2 0 388.943 3.595 20 10 GHCDRP Cc1cc2c(CC[NH2+]Cc3ccc(N4CC[NH+](C)CC4)cc3)c[nH]c2cc1F ZINC001308480167 1049985650 /nfs/dbraw/zinc/98/56/50/1049985650.db2.gz SNGIBNVXXCNTMJ-UHFFFAOYSA-N 2 0 380.511 3.700 20 10 GHCDRP Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC001321023073 1056060926 /nfs/dbraw/zinc/06/09/26/1056060926.db2.gz KHPXUFMQKFPJNV-DYESRHJHSA-N 2 0 380.532 3.995 20 10 GHCDRP COc1cc(Cl)cc(C[NH2+][C@@H]2CCN(Cc3cnc(C)s3)C[C@H]2C)c1O ZINC000359864271 212119012 /nfs/dbraw/zinc/11/90/12/212119012.db2.gz ATSMWZYILKNCQK-SJKOYZFVSA-N 2 0 395.956 3.819 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc4cnccc4c3)cc2F)CC1 ZINC000785457142 856674891 /nfs/dbraw/zinc/67/48/91/856674891.db2.gz REOAXMJSRNPQEB-UHFFFAOYSA-N 2 0 378.495 3.806 20 10 GHCDRP COc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(N3CC[NH+](C)CC3)cc2)c(OC)c1 ZINC000775647655 872321696 /nfs/dbraw/zinc/32/16/96/872321696.db2.gz XGMUJSNBEZEECI-HSZRJFAPSA-N 2 0 395.547 3.793 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCCC[C@@H]3[C@H](O)c3ccccc3)cc2)CC1 ZINC000775669240 872586557 /nfs/dbraw/zinc/58/65/57/872586557.db2.gz ICCBRYDCXRYGKO-DNQXCXABSA-N 2 0 379.548 3.527 20 10 GHCDRP CC[N@H+](CC(=O)Nc1c(C)cccc1C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775717319 873110574 /nfs/dbraw/zinc/11/05/74/873110574.db2.gz BVAQRYTVZKMDGX-UHFFFAOYSA-N 2 0 394.563 3.516 20 10 GHCDRP C[N@H+](CC1CC1)C[C@H]1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000769517140 874123880 /nfs/dbraw/zinc/12/38/80/874123880.db2.gz ZGOHQAKRIVZIFL-HXUWFJFHSA-N 2 0 386.540 3.749 20 10 GHCDRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]CCCSc2nccs2)CC1 ZINC000770739096 874860977 /nfs/dbraw/zinc/86/09/77/874860977.db2.gz PLKVRQMYPNZSIL-UHFFFAOYSA-N 2 0 397.013 3.820 20 10 GHCDRP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc3c(c2)CCN3Cc2ccccc2)CCCO1 ZINC001201971285 875958532 /nfs/dbraw/zinc/95/85/32/875958532.db2.gz MHVRAZGRQDSLAZ-OAQYLSRUSA-N 2 0 393.575 3.840 20 10 GHCDRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000153571075 886383694 /nfs/dbraw/zinc/38/36/94/886383694.db2.gz PJXGQKRIZVYRGL-NHCUHLMSSA-N 2 0 393.575 3.769 20 10 GHCDRP CC(C)[NH+]1CCN(c2cccc(NC(=O)c3cccc(C[NH+](C)C)c3)c2)CC1 ZINC000123343408 890532005 /nfs/dbraw/zinc/53/20/05/890532005.db2.gz IGFKEZWVMNLEDJ-UHFFFAOYSA-N 2 0 380.536 3.531 20 10 GHCDRP CN(C)c1ccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)cc1 ZINC000815149460 893521810 /nfs/dbraw/zinc/52/18/10/893521810.db2.gz NZSHVQGIDTUEEM-HSZRJFAPSA-N 2 0 393.575 3.771 20 10 GHCDRP Cc1ccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c(O)c1 ZINC000877553040 893685130 /nfs/dbraw/zinc/68/51/30/893685130.db2.gz YVKISHIGOSOJSM-QFIPXVFZSA-N 2 0 380.532 3.719 20 10 GHCDRP COc1ccc(N2CCC([NH2+][C@@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)CC2)cc1 ZINC000817903467 895955941 /nfs/dbraw/zinc/95/59/41/895955941.db2.gz PHKVSKJBTBFKPO-ISKFKSNPSA-N 2 0 393.531 3.510 20 10 GHCDRP FC(F)Oc1ccc(N2CCC([NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000817903144 895956252 /nfs/dbraw/zinc/95/62/52/895956252.db2.gz ITPXBEMMDJLBBJ-VAMGGRTRSA-N 2 0 379.495 3.767 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@H](c3ccc(F)cc3)C3CCOCC3)cc2)CC1 ZINC000883291193 897458122 /nfs/dbraw/zinc/45/81/22/897458122.db2.gz VIVUKQNLNDUFTQ-XMMPIXPASA-N 2 0 397.538 3.835 20 10 GHCDRP CC(C)[C@@H](C[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1)N1CC[NH+](C)CC1 ZINC000132516318 897813047 /nfs/dbraw/zinc/81/30/47/897813047.db2.gz OQQRPQKUQUQMQJ-XUZZJYLKSA-N 2 0 386.628 3.990 20 10 GHCDRP C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000778643625 897842149 /nfs/dbraw/zinc/84/21/49/897842149.db2.gz UUFBAFTWMAFLOK-REWPJTCUSA-N 2 0 379.548 3.523 20 10 GHCDRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3ccc(OCc4ccccc4)cc3O)C2)C1 ZINC000844903329 901487572 /nfs/dbraw/zinc/48/75/72/901487572.db2.gz XOACBWZLRFDHOW-PQNGQFLHSA-N 2 0 396.531 3.690 20 10 GHCDRP CC[C@@H]([NH2+]Cc1ccc(N2CC[NH+](CC)CC2)nc1)c1ccc(N(C)C)cc1 ZINC000159505624 903446632 /nfs/dbraw/zinc/44/66/32/903446632.db2.gz NOUKDDWGDCTZMD-JOCHJYFZSA-N 2 0 381.568 3.530 20 10 GHCDRP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccc(N2CCCCC2)cc1 ZINC000177827605 906224280 /nfs/dbraw/zinc/22/42/80/906224280.db2.gz AVNYYRWFSNHWLL-HXUWFJFHSA-N 2 0 393.579 3.675 20 10 GHCDRP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc2ccccc2c1O ZINC000186060538 907873625 /nfs/dbraw/zinc/87/36/25/907873625.db2.gz WBAYCRYMJACHEF-QGZVFWFLSA-N 2 0 391.515 3.688 20 10 GHCDRP COc1ccc2ccc(O)c(C[NH+]3CCC(CCC[NH+]4CCOCC4)CC3)c2c1 ZINC000779877981 909057817 /nfs/dbraw/zinc/05/78/17/909057817.db2.gz VQTIAPXAZCRYHN-UHFFFAOYSA-N 2 0 398.547 3.878 20 10 GHCDRP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c2c1c(F)ccc2O ZINC000757640343 929755124 /nfs/dbraw/zinc/75/51/24/929755124.db2.gz RZUVCZJZOCVIEC-ZTNFWEORSA-N 2 0 384.495 3.826 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3Cc4[nH]c5ccccc5c4C3)cc2F)CC1 ZINC000799717818 933098998 /nfs/dbraw/zinc/09/89/98/933098998.db2.gz VGBQTMAWISIGSJ-SFHVURJKSA-N 2 0 392.522 3.706 20 10 GHCDRP COc1cc(C[NH+]2CCC3(CC[N@H+](Cc4cccs4)C3)CC2)cc(O)c1O ZINC001204347800 1032787681 /nfs/dbraw/zinc/78/76/81/1032787681.db2.gz CDLVKDXSBRIHKJ-UHFFFAOYSA-N 2 0 388.533 3.656 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H](c4ccc(OC)cc4)C3)cc2)CC1 ZINC001140305703 1021361346 /nfs/dbraw/zinc/36/13/46/1021361346.db2.gz HCIJZGJEZLHFGP-JOCHJYFZSA-N 2 0 379.548 3.827 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[N@H+](C3CCCC3)C3CCN(C)CC3)cc2)CC1 ZINC001140309326 1021368674 /nfs/dbraw/zinc/36/86/74/1021368674.db2.gz BJAZIWXHIMIPIS-UHFFFAOYSA-N 3 0 384.612 3.667 20 10 GHCDRP Cc1ccc(C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C2)c(O)c1 ZINC001140952517 1022981375 /nfs/dbraw/zinc/98/13/75/1022981375.db2.gz VMTHMADKTITGCR-UPVQGACJSA-N 2 0 384.564 3.661 20 10 GHCDRP c1nc2cc(NCc3ccc4c(c3)CC[NH2+]C4)ccc2n1[C@H]1CCC[NH2+]CC1 ZINC001162807763 1025924241 /nfs/dbraw/zinc/92/42/41/1025924241.db2.gz RGCWHNLLLRPVFS-NRFANRHFSA-N 2 0 375.520 3.609 20 10 GHCDRP COc1ccc(C[C@H]2CCC[N@H+](Cc3cc(C[NH+](C)C)c(O)c(OC)c3)C2)cc1 ZINC001139259207 1026110368 /nfs/dbraw/zinc/11/03/68/1026110368.db2.gz MUBYMLPURNRZAF-LJQANCHMSA-N 2 0 398.547 3.926 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH+]3CCC(Oc4cccc(F)c4)CC3)cc2)CC1 ZINC001139409648 1026282501 /nfs/dbraw/zinc/28/25/01/1026282501.db2.gz OMBDYNKOCGTYEH-UHFFFAOYSA-N 2 0 383.511 3.621 20 10 GHCDRP Cc1ccc(C)c(C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C2)c1O ZINC001140181952 1026955125 /nfs/dbraw/zinc/95/51/25/1026955125.db2.gz YBALMJHOITVEFG-DHLKQENFSA-N 2 0 398.591 3.970 20 10 GHCDRP COc1ccc(O)c(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)c1 ZINC001203673207 1027523474 /nfs/dbraw/zinc/52/34/74/1027523474.db2.gz QYCVMNCWTRVNSQ-UHFFFAOYSA-N 2 0 396.531 3.576 20 10 GHCDRP Oc1ccc(C[NH+]2CCC(OC3CC[NH+](Cc4ccccc4)CC3)CC2)cc1O ZINC001203878685 1027675921 /nfs/dbraw/zinc/67/59/21/1027675921.db2.gz ACILIEFXEGYWOQ-UHFFFAOYSA-N 2 0 396.531 3.743 20 10 GHCDRP Cc1cc(O)c(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c(Cl)c1 ZINC000840918013 1027957229 /nfs/dbraw/zinc/95/72/29/1027957229.db2.gz ZWPGZHMBDHGUEQ-UHFFFAOYSA-N 2 0 394.003 3.982 20 10 GHCDRP CC(C)(C)c1cccc(C[N@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)c1O ZINC001143108368 1029845659 /nfs/dbraw/zinc/84/56/59/1029845659.db2.gz NPUDEPUXHYEZFD-UHFFFAOYSA-N 2 0 396.579 3.930 20 10 GHCDRP COc1cc(Br)cc(CN2CCCC[C@]3(CCCC[NH2+]C3)C2)c1O ZINC001222161428 1029982789 /nfs/dbraw/zinc/98/27/89/1029982789.db2.gz ODXAAWSWIMQRBN-IBGZPJMESA-N 2 0 397.357 3.909 20 10 GHCDRP Clc1ccc2c(c1)C1(CN2)CC[NH+](Cc2ccc(N3CC[NH2+]CC3)cc2)CC1 ZINC001222178456 1029990505 /nfs/dbraw/zinc/99/05/05/1029990505.db2.gz RSYFWERIMRWLDM-UHFFFAOYSA-N 2 0 396.966 3.709 20 10 GHCDRP CCCCN(CCCC)c1ccc(C[N@@H+]2CCOC3(CC[NH2+]CC3)C2)c(O)c1 ZINC001222186222 1029993604 /nfs/dbraw/zinc/99/36/04/1029993604.db2.gz ACAMNEANFXNYIA-UHFFFAOYSA-N 2 0 389.584 3.753 20 10 GHCDRP C[NH+]1CCC(C[NH+]2CCN(c3ccc(-c4nc5ccccc5o4)cc3)CC2)CC1 ZINC001207402866 1034343423 /nfs/dbraw/zinc/34/34/23/1034343423.db2.gz OYEHQQTWVCFTLP-UHFFFAOYSA-N 2 0 390.531 3.959 20 10 GHCDRP Cc1cccc(C[NH+]2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1O ZINC001231592699 1034747707 /nfs/dbraw/zinc/74/77/07/1034747707.db2.gz OZWUNNSFSLOTDP-JOCHJYFZSA-N 2 0 380.532 3.956 20 10 GHCDRP [NH3+][C@H](c1ccccc1O)[C@H](Nc1cc(-n2ccnc2)cc[nH+]1)c1ccccc1O ZINC001160624012 1035018702 /nfs/dbraw/zinc/01/87/02/1035018702.db2.gz MIXOFPAHVUBHQQ-FGZHOGPDSA-N 2 0 387.443 3.532 20 10 GHCDRP COc1ccc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c(O)c1OC ZINC001461968700 1069920659 /nfs/dbraw/zinc/92/06/59/1069920659.db2.gz YPNMIUHOXIWFFP-UHFFFAOYSA-N 2 0 396.531 3.898 20 10 GHCDRP Fc1ccc(OCC2CC[NH+](Cc3ccc(N4CC[NH2+]CC4)cc3)CC2)cc1 ZINC001236044555 1041513882 /nfs/dbraw/zinc/51/38/82/1041513882.db2.gz NTSSAZFQDMXDLF-UHFFFAOYSA-N 2 0 383.511 3.526 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[N@H+](Cc3ccccc3)[C@H]3CC[C@H]([NH3+])CC3)cc2)CC1 ZINC001236690690 1041834030 /nfs/dbraw/zinc/83/40/30/1041834030.db2.gz UCVUXCFJOQBVPG-ALOJWSFFSA-N 3 0 392.591 3.711 20 10 GHCDRP COC(=O)c1ccc([C@H]2CCCC[N@@H+]2Cc2ccc(N3CC[NH2+]CC3)cc2)cc1 ZINC001237411919 1042197092 /nfs/dbraw/zinc/19/70/92/1042197092.db2.gz RBOHQHHALJNRMZ-HSZRJFAPSA-N 2 0 393.531 3.610 20 10 GHCDRP C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001256523125 1043446655 /nfs/dbraw/zinc/44/66/55/1043446655.db2.gz NCKLINWKSZIMTP-XUZZJYLKSA-N 3 0 392.591 3.581 20 10 GHCDRP COc1cc(Br)cc([C@@H](C)[NH2+]C2CC[NH+](CC(C)C)CC2)c1O ZINC000848517940 1057144692 /nfs/dbraw/zinc/14/46/92/1057144692.db2.gz HTJNQDOKBCZVQM-CYBMUJFWSA-N 2 0 385.346 3.934 20 10 GHCDRP Cc1ccc(-c2ncc(C[NH2+]Cc3ccc(N4CC[NH+](C)CC4)cc3)s2)o1 ZINC001474249488 1074309774 /nfs/dbraw/zinc/30/97/74/1074309774.db2.gz HLKNKQJJMMUSQF-UHFFFAOYSA-N 2 0 382.533 3.753 20 10 GHCDRP COc1ccc(O)c([C@@H](C)[NH2+]C/C=C\C[NH2+][C@@H](C)c2cc(OC)ccc2O)c1 ZINC000588382543 839830273 /nfs/dbraw/zinc/83/02/73/839830273.db2.gz GTOXGDHWTMUTLG-HNXFAEETSA-N 2 0 386.492 3.673 20 10 GHCDRP C[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccc(N2CCCCC2)cc1 ZINC000159195308 847531666 /nfs/dbraw/zinc/53/16/66/847531666.db2.gz HBZHXJQMDUYMRV-FQEVSTJZSA-N 2 0 393.579 3.675 20 10 GHCDRP COc1ccc(N2CCC([NH2+]C[C@@H]3CC[N@H+](CCc4ccccc4)C3)CC2)cc1 ZINC000165312975 854840127 /nfs/dbraw/zinc/84/01/27/854840127.db2.gz NYUQKBQUYRSWKS-QFIPXVFZSA-N 2 0 393.575 3.818 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[N@@H+](Cc3ccccc3)C[C@@H]3CCCO3)cc2)CC1 ZINC000775662629 872499670 /nfs/dbraw/zinc/49/96/70/872499670.db2.gz YXXKSZNIWIPNSZ-DEOSSOPVSA-N 2 0 379.548 3.620 20 10 GHCDRP CC1CCC(OC2CC[NH+](Cc3ccc(N4CC[NH+](C)CC4)cc3)CC2)CC1 ZINC000775687470 872901730 /nfs/dbraw/zinc/90/17/30/872901730.db2.gz CVXKUPJRMKQCDX-UHFFFAOYSA-N 2 0 385.596 3.998 20 10 GHCDRP CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3cc(Cl)ccc3O)CC2)CC1 ZINC000769527790 874135387 /nfs/dbraw/zinc/13/53/87/874135387.db2.gz RUZAEGTZARFNSY-UHFFFAOYSA-N 2 0 379.976 3.674 20 10 GHCDRP C[C@@H](CC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)[N@H+](C)Cc1ccccc1 ZINC001200942542 875429664 /nfs/dbraw/zinc/42/96/64/875429664.db2.gz UGSLNHFTDJLESL-FQEVSTJZSA-N 2 0 381.564 3.648 20 10 GHCDRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(OC)cc(C(C)(C)C)c2O)[C@H](C)C1 ZINC000850137628 876691929 /nfs/dbraw/zinc/69/19/29/876691929.db2.gz RASMCAJQKJKAEI-DYESRHJHSA-N 2 0 392.584 3.925 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3c4ccccc4CC34CCOCC4)cc2)CC1 ZINC000810172726 888233452 /nfs/dbraw/zinc/23/34/52/888233452.db2.gz RWFFDDDVCUFOGG-XMMPIXPASA-N 2 0 391.559 3.622 20 10 GHCDRP CC[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccc(C(F)(F)F)cc1O ZINC000810216094 888293044 /nfs/dbraw/zinc/29/30/44/888293044.db2.gz QGGAUANTNANATK-GOSISDBHSA-N 2 0 387.490 3.725 20 10 GHCDRP C[NH+](C)C1CCN(CC[NH2+][C@H](CCc2ccccc2)c2ccccc2O)CC1 ZINC000815586324 894024659 /nfs/dbraw/zinc/02/46/59/894024659.db2.gz FWJHGTHCTRYMKZ-HSZRJFAPSA-N 2 0 381.564 3.682 20 10 GHCDRP C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)cc2F)C[C@H](C)O1 ZINC000817888626 895930701 /nfs/dbraw/zinc/93/07/01/895930701.db2.gz NRIMHNYKQJEORT-LLZYVPLJSA-N 2 0 389.559 3.840 20 10 GHCDRP FC(F)Oc1ccc(N2CCC[C@H]([NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000817897926 895953923 /nfs/dbraw/zinc/95/39/23/895953923.db2.gz AUFYLCLEDJQFDU-MVJPYGJCSA-N 2 0 379.495 3.767 20 10 GHCDRP c1cc(N2CC[NH+](CC3CC3)CC2)ccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000817917811 895960913 /nfs/dbraw/zinc/96/09/13/895960913.db2.gz STRGMODYURIPCV-CCDWMCETSA-N 3 0 396.623 3.619 20 10 GHCDRP COc1cccc([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1O ZINC000846137693 902745623 /nfs/dbraw/zinc/74/56/23/902745623.db2.gz GAYQTMUBIJBMDU-FGTMMUONSA-N 2 0 384.520 3.861 20 10 GHCDRP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001179453684 909535360 /nfs/dbraw/zinc/53/53/60/909535360.db2.gz NGHSLOWWOPSVRE-JXAWBTAJSA-N 2 0 380.492 3.540 20 10 GHCDRP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000757997518 929883247 /nfs/dbraw/zinc/88/32/47/929883247.db2.gz OPGMURCKENOYQK-ZEQRLZLVSA-N 2 0 397.538 3.930 20 10 GHCDRP Oc1cc(N2CC[NH2+]CC2)ccc1C[N@H+](Cc1ccccc1)C1CCSCC1 ZINC001236268776 1032592608 /nfs/dbraw/zinc/59/26/08/1032592608.db2.gz GNKBJVILTLXIKD-UHFFFAOYSA-N 2 0 397.588 3.700 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH+]3CCC(O)(c4ccc(C)cc4)CC3)cc2)CC1 ZINC001140300894 1021346035 /nfs/dbraw/zinc/34/60/35/1021346035.db2.gz VXVMULZQHUDIET-UHFFFAOYSA-N 2 0 393.575 3.621 20 10 GHCDRP CCCc1noc(C2CC[NH+](Cc3ccc(N4CC[NH+](CC)CC4)cc3)CC2)n1 ZINC001140305922 1021360795 /nfs/dbraw/zinc/36/07/95/1021360795.db2.gz IQXIKLIACNZTGE-UHFFFAOYSA-N 2 0 397.567 3.544 20 10 GHCDRP CN(C)c1ccc(/C=C\C[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)cc1 ZINC000835043143 1021803085 /nfs/dbraw/zinc/80/30/85/1021803085.db2.gz NIPOWPSYRCASEV-WAYWQWQTSA-N 2 0 379.548 3.512 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@H](c3ccccc3)C3(CO)CCCC3)cc2)CC1 ZINC000835064939 1021842201 /nfs/dbraw/zinc/84/22/01/1021842201.db2.gz DKZBJRZZTBYRAM-XMMPIXPASA-N 2 0 393.575 3.822 20 10 GHCDRP COc1cc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c(O)c(C(C)(C)C)c1 ZINC000754732586 1022866765 /nfs/dbraw/zinc/86/67/65/1022866765.db2.gz PQNZUHCREWOBIX-UHFFFAOYSA-N 2 0 390.568 3.633 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3ccc4ccccc4c3O)cn2)CC1 ZINC000756431853 1023645720 /nfs/dbraw/zinc/64/57/20/1023645720.db2.gz GJKBNTJNNFGBDX-SFHVURJKSA-N 2 0 390.531 3.933 20 10 GHCDRP C[C@@H]1C[C@H]([NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)c2c1c(F)ccc2O ZINC000756606896 1023735550 /nfs/dbraw/zinc/73/55/50/1023735550.db2.gz FJUJFNMQPQKVPD-AEFFLSMTSA-N 2 0 375.532 3.620 20 10 GHCDRP COc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)cc1Cn1cccn1 ZINC001461017163 1069338324 /nfs/dbraw/zinc/33/83/24/1069338324.db2.gz OOQWDGYCXJLKEV-UHFFFAOYSA-N 2 0 390.531 3.826 20 10 GHCDRP COc1cc(C[NH+]2CCC3(CCc4ccccc43)CC2)cc(C[NH+](C)C)c1O ZINC001139255072 1026105861 /nfs/dbraw/zinc/10/58/61/1026105861.db2.gz MCKXIWZKPAHCEY-UHFFFAOYSA-N 2 0 380.532 3.942 20 10 GHCDRP COc1ccc(C[C@@H]2CCC[N@H+](Cc3ccc(N4CC[NH+](C)CC4)cc3)C2)cc1 ZINC001139410903 1026282524 /nfs/dbraw/zinc/28/25/24/1026282524.db2.gz LBZLRSFIBGOUHF-QHCPKHFHSA-N 2 0 393.575 3.902 20 10 GHCDRP COc1ccc(Br)c(C[NH+]2CCC(C3CC[NH+](C)CC3)CC2)c1O ZINC001231554315 1034706411 /nfs/dbraw/zinc/70/64/11/1034706411.db2.gz OIGPXASXSZYARQ-UHFFFAOYSA-N 2 0 397.357 3.717 20 10 GHCDRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cc(Cl)c(C(C)(C)C)cc1O ZINC001248882409 1036223480 /nfs/dbraw/zinc/22/34/80/1036223480.db2.gz ILPNTLAGCGNSCK-RBUKOAKNSA-N 2 0 379.976 3.553 20 10 GHCDRP C[C@H](Cc1cccc(Br)c1)[NH2+]Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001246176885 1037224051 /nfs/dbraw/zinc/22/40/51/1037224051.db2.gz YBWJGNKOZWYHPG-MRXNPFEDSA-N 2 0 388.353 3.580 20 10 GHCDRP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cc(C(C)(C)C)ccc1O)C2 ZINC001233284673 1039061130 /nfs/dbraw/zinc/06/11/30/1039061130.db2.gz DCISAJWHGCRGSW-URXFXBBRSA-N 2 0 386.580 3.870 20 10 GHCDRP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cc(O)c(O)cc3O)C[C@H]21 ZINC001233484306 1039380358 /nfs/dbraw/zinc/38/03/58/1039380358.db2.gz GBWSZHVXRBUJCN-ZTFGCOKTSA-N 2 0 388.533 3.597 20 10 GHCDRP Oc1ccc(OCc2ccccc2)cc1C[N@@H+]1CC[C@@]2(C1)C[NH2+]CCC2(F)F ZINC001235095604 1040584877 /nfs/dbraw/zinc/58/48/77/1040584877.db2.gz VHLOROJKWSSMQY-NRFANRHFSA-N 2 0 388.458 3.792 20 10 GHCDRP CCN(CC)c1ccc(C[N@@H+]2CCCn3cnc(C[NH2+]C4CCC4)c3C2)cc1 ZINC001235565125 1040990732 /nfs/dbraw/zinc/99/07/32/1040990732.db2.gz JZZRMJAJTWINOE-UHFFFAOYSA-N 2 0 381.568 3.777 20 10 GHCDRP COc1ccc(C[C@H]2CCC[N@H+](Cc3ccc(N4CC[NH2+]CC4)cc3)C2)cc1 ZINC001236093684 1041529366 /nfs/dbraw/zinc/52/93/66/1041529366.db2.gz XAWJMPWVAWOKBD-JOCHJYFZSA-N 2 0 379.548 3.560 20 10 GHCDRP CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001236238043 1041639210 /nfs/dbraw/zinc/63/92/10/1041639210.db2.gz XWNZCWZJZKUWOG-FCEUIQTBSA-N 2 0 399.579 3.571 20 10 GHCDRP COc1ccc(Br)c(C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)c1O ZINC001236375559 1041687025 /nfs/dbraw/zinc/68/70/25/1041687025.db2.gz KQEQVKJGLBONBQ-CQSZACIVSA-N 2 0 397.357 3.908 20 10 GHCDRP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2cc3c4c(c2O)CCCN4CCC3)CC2CCC2)CC1 ZINC001236542885 1041757340 /nfs/dbraw/zinc/75/73/40/1041757340.db2.gz VQTIXAKYKJAXET-MEMLXQNLSA-N 2 0 383.580 3.963 20 10 GHCDRP Fc1cccc2c1CC[C@]21CCC[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001237189578 1042085331 /nfs/dbraw/zinc/08/53/31/1042085331.db2.gz XILXLXGGENVVGX-DEOSSOPVSA-N 2 0 379.523 3.715 20 10 GHCDRP FC(F)(F)Oc1ccc(N2CC[NH+](Cc3cc4c(s3)CC[NH2+]C4)CC2)cc1 ZINC001237204863 1042091131 /nfs/dbraw/zinc/09/11/31/1042091131.db2.gz HPTFWBYWWUBRCX-UHFFFAOYSA-N 2 0 397.466 3.615 20 10 GHCDRP Cc1ccc(Br)c(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC001308439281 1049976581 /nfs/dbraw/zinc/97/65/81/1049976581.db2.gz CQNFUSSMFTUHNQ-UHFFFAOYSA-N 2 0 388.353 3.799 20 10 GHCDRP CC[NH+]1CCN(Cc2ccc(C[NH2+]C/C=C/c3ccc(N(C)C)cc3)cc2)CC1 ZINC001473935672 1074210762 /nfs/dbraw/zinc/21/07/62/1074210762.db2.gz BUTXZNIOKISUKD-AATRIKPKSA-N 2 0 392.591 3.693 20 10 GHCDRP Cc1cc(Cl)ccc1OCCC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001473959325 1074218548 /nfs/dbraw/zinc/21/85/48/1074218548.db2.gz XCPLGIPTKOBBQM-UHFFFAOYSA-N 2 0 387.955 3.959 20 10 GHCDRP CCCOc1ccc(C[NH2+]CCc2ccc(N3CC[NH+](C)CC3)cc2)cc1C ZINC001474306078 1074332876 /nfs/dbraw/zinc/33/28/76/1074332876.db2.gz ZOYRNGQVLHMMBU-UHFFFAOYSA-N 2 0 381.564 3.868 20 10 GHCDRP CCOc1ccc(O)c(C[NH2+]CCCC[NH+]2CCN(c3cccc(C)c3)CC2)c1 ZINC000237071038 844425075 /nfs/dbraw/zinc/42/50/75/844425075.db2.gz RIATUXVTSQXMAS-UHFFFAOYSA-N 2 0 397.563 3.791 20 10 GHCDRP Cc1nccn1-c1ccc(C[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)cn1 ZINC000280069827 846288552 /nfs/dbraw/zinc/28/85/52/846288552.db2.gz XNBUJXYLVSWRGG-UHFFFAOYSA-N 2 0 389.425 3.950 20 10 GHCDRP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3c(O)cc(C)cc3Cl)C2)ccn1 ZINC000856550488 881365514 /nfs/dbraw/zinc/36/55/14/881365514.db2.gz ZTCDPYZUVACLNE-SFHVURJKSA-N 2 0 389.927 3.854 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+]C/C=C/c3ccccc3OC)cc2F)CC1 ZINC000730108559 860866718 /nfs/dbraw/zinc/86/67/18/860866718.db2.gz PFRDHKCEPSIHNZ-SOFGYWHQSA-N 2 0 383.511 3.779 20 10 GHCDRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)C[C@H](C)O1 ZINC000792936153 881826656 /nfs/dbraw/zinc/82/66/56/881826656.db2.gz MNOFXMNQZHWJGR-IYBDPMFKSA-N 2 0 387.490 3.750 20 10 GHCDRP COCOc1cnc(N2CCC[C@H]([NH3+])c3cc(C)ccc32)cc1/C=C/[NH+](C)C ZINC001169697709 871767259 /nfs/dbraw/zinc/76/72/59/871767259.db2.gz OUVYMRXPAZVAEC-JARZOMNASA-N 2 0 382.508 3.837 20 10 GHCDRP COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(N3CC[NH+](C)CC3)cc2)cc1OC ZINC000775648076 872272919 /nfs/dbraw/zinc/27/29/19/872272919.db2.gz PSJUZDUPQKXXRR-QFIPXVFZSA-N 2 0 395.547 3.793 20 10 GHCDRP COc1cccc(C2CC[NH+](Cc3ccc(N4CC[NH+](C)CC4)cc3)CC2)c1 ZINC000775669381 872583594 /nfs/dbraw/zinc/58/35/94/872583594.db2.gz XJDYBJFQTIGVGJ-UHFFFAOYSA-N 2 0 379.548 3.827 20 10 GHCDRP CCc1nc2c(s1)[C@@H]([N@H+](C)Cc1ccc(N3CC[NH+](C)CC3)cc1)CCC2 ZINC000775725702 873187127 /nfs/dbraw/zinc/18/71/27/873187127.db2.gz LXQFQTUKEYTSCY-FQEVSTJZSA-N 2 0 384.593 3.967 20 10 GHCDRP c1ccc2c(c1)OCC[C@@H]2C[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768669059 873492428 /nfs/dbraw/zinc/49/24/28/873492428.db2.gz BYJBUJRCACMUQZ-JOCHJYFZSA-N 2 0 391.559 3.875 20 10 GHCDRP C[C@@H]1C[N@H+](Cc2cc(-c3ccccc3)ccc2O)CC[C@H]1N1CC[NH+](C)CC1 ZINC000769528340 874135068 /nfs/dbraw/zinc/13/50/68/874135068.db2.gz VRIJLFZNJHHUGP-AUSIDOKSSA-N 2 0 379.548 3.517 20 10 GHCDRP Cc1cc(N(C)C)ccc1C[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000770738113 874860272 /nfs/dbraw/zinc/86/02/72/874860272.db2.gz FUAUKMABVNXHPJ-UHFFFAOYSA-N 2 0 386.971 3.756 20 10 GHCDRP COc1ccccc1SC[C@@H](C)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000771831723 875477520 /nfs/dbraw/zinc/47/75/20/875477520.db2.gz FIVSGXPAZVJOKY-IBGZPJMESA-N 2 0 399.604 3.965 20 10 GHCDRP CCN(CC)[C@H](C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000771819764 875494469 /nfs/dbraw/zinc/49/44/69/875494469.db2.gz SDSPDATVNKYKQY-XMMPIXPASA-N 2 0 380.580 3.611 20 10 GHCDRP COc1ccc(N2CC[C@@H]([NH2+][C@H](C)c3cccc(OCC[NH+](C)C)c3)C2)cc1 ZINC000850487903 876963829 /nfs/dbraw/zinc/96/38/29/876963829.db2.gz JZKIAARJYOEJMC-UYAOXDASSA-N 2 0 383.536 3.565 20 10 GHCDRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000850565890 877031958 /nfs/dbraw/zinc/03/19/58/877031958.db2.gz JDUOFXDFEAYMQP-NTKDMRAZSA-N 2 0 385.596 3.780 20 10 GHCDRP C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000850567475 877034717 /nfs/dbraw/zinc/03/47/17/877034717.db2.gz CXBIABSSHDDDAL-NFBKMPQASA-N 2 0 393.575 3.648 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCCc4ccc(O)cc43)cc2F)CC1 ZINC000788594484 878193807 /nfs/dbraw/zinc/19/38/07/878193807.db2.gz NFDCVPJAIXYBFQ-JOCHJYFZSA-N 2 0 383.511 3.840 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3c([O-])ccc(Cl)c3F)cc2F)CC1 ZINC000790960903 880103118 /nfs/dbraw/zinc/10/31/18/880103118.db2.gz LEYWBKUCEQOYST-UHFFFAOYSA-N 2 0 395.881 3.756 20 10 GHCDRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000153570988 886384134 /nfs/dbraw/zinc/38/41/34/886384134.db2.gz PJXGQKRIZVYRGL-SFTDATJTSA-N 2 0 393.575 3.769 20 10 GHCDRP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)c1ccccc1O ZINC000815646711 894093331 /nfs/dbraw/zinc/09/33/31/894093331.db2.gz QEAQSOJKLFXGRH-PZJWPPBQSA-N 2 0 380.532 3.972 20 10 GHCDRP C[C@@H]1C[C@H]([NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)c2c1c(F)ccc2O ZINC000817984767 895992566 /nfs/dbraw/zinc/99/25/66/895992566.db2.gz ZMRUMZHMGGEPGE-APWZRJJASA-N 2 0 383.511 3.663 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@H](c3ccccc3)C3CCOCC3)cc2)CC1 ZINC000883290344 897456330 /nfs/dbraw/zinc/45/63/30/897456330.db2.gz RMQFNXAGGIEPIJ-XMMPIXPASA-N 2 0 379.548 3.696 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@H](C[C@H]3CCOC3)c3ccc(F)cc3)cc2)CC1 ZINC000883290742 897457685 /nfs/dbraw/zinc/45/76/85/897457685.db2.gz FKQYGKGDVCHWBY-HYBUGGRVSA-N 2 0 397.538 3.835 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3c(Cl)cccc3-n3ccnc3)cc2)CC1 ZINC000824477281 899620969 /nfs/dbraw/zinc/62/09/69/899620969.db2.gz ONMIETLEUSMGOA-UHFFFAOYSA-N 2 0 395.938 3.567 20 10 GHCDRP COCCC[NH+]1CCC([NH2+][C@H](C)c2ccc(N3CCCCC3)c(F)c2)CC1 ZINC000159065068 902517730 /nfs/dbraw/zinc/51/77/30/902517730.db2.gz QHKJGOBLMQMHNF-GOSISDBHSA-N 2 0 377.548 3.968 20 10 GHCDRP CCN(C)c1ccc([C@H](C)[NH2+]Cc2ccc(N3CC[NH+](CC)CC3)nc2)cc1 ZINC000159476911 903363794 /nfs/dbraw/zinc/36/37/94/903363794.db2.gz NDHNGKMKKODVOM-IBGZPJMESA-N 2 0 381.568 3.530 20 10 GHCDRP COc1cccc(OC)c1C[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000796344105 914874416 /nfs/dbraw/zinc/87/44/16/914874416.db2.gz GXNFRWMMTJPMQK-UHFFFAOYSA-N 2 0 395.547 3.526 20 10 GHCDRP COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)c1 ZINC000185360660 907755934 /nfs/dbraw/zinc/75/59/34/907755934.db2.gz JAXHTXZVMFOLCX-HZPDHXFCSA-N 2 0 387.499 3.704 20 10 GHCDRP Oc1ccc(-c2ccccc2)cc1C[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000781637428 930918937 /nfs/dbraw/zinc/91/89/37/930918937.db2.gz ARPDNVXLBWORAA-XMMPIXPASA-N 2 0 388.511 3.916 20 10 GHCDRP C[N@@H+]1CC[C@H]([NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)[C@@H]2CCC[C@@H]21 ZINC000796747274 932052073 /nfs/dbraw/zinc/05/20/73/932052073.db2.gz UUHFZGKEPGLOPE-UFYCRDLUSA-N 2 0 379.495 3.719 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@H](Oc4cc(C)ccn4)C3)cc2)CC1 ZINC001140309592 1021369965 /nfs/dbraw/zinc/36/99/65/1021369965.db2.gz MYCPVUZQZRNEMQ-QHCPKHFHSA-N 2 0 394.563 3.575 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH+]3CCC(Oc4cccc(C)n4)CC3)cc2)CC1 ZINC001140309396 1021371253 /nfs/dbraw/zinc/37/12/53/1021371253.db2.gz FCFSQTZGZIKJQR-UHFFFAOYSA-N 2 0 394.563 3.575 20 10 GHCDRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1c3ccccc3n(C)c1C)C2 ZINC001138255322 1024478604 /nfs/dbraw/zinc/47/86/04/1024478604.db2.gz BXOSPJRKBZWTBG-YKSBVNFPSA-N 2 0 381.564 3.667 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH+]3CCC(Oc4ccc(F)cc4)CC3)cc2)CC1 ZINC001139409598 1026281482 /nfs/dbraw/zinc/28/14/82/1026281482.db2.gz MXBJXQCQRUKJHK-UHFFFAOYSA-N 2 0 383.511 3.621 20 10 GHCDRP C[NH+]1CCN(c2ccc(C[NH+]3CCC4(CCc5ccccc5O4)CC3)cc2)CC1 ZINC001139411042 1026282445 /nfs/dbraw/zinc/28/24/45/1026282445.db2.gz RMNMYRNSWOTJOX-UHFFFAOYSA-N 2 0 391.559 3.798 20 10 GHCDRP COc1cccc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccc(OC)cc2O)CC3)c1 ZINC001203623446 1027485789 /nfs/dbraw/zinc/48/57/89/1027485789.db2.gz QYDBMIOFTQZDCV-UHFFFAOYSA-N 2 0 396.531 3.898 20 10 GHCDRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3ccc(OCc4ccccc4)cc3O)CC2)C1 ZINC000841103776 1028139656 /nfs/dbraw/zinc/13/96/56/1028139656.db2.gz JRRFHWLHABSPEO-URXFXBBRSA-N 2 0 396.531 3.690 20 10 GHCDRP Oc1ccc2cc(Br)ccc2c1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001222148978 1029979321 /nfs/dbraw/zinc/97/93/21/1029979321.db2.gz SWTKUHRWODZGLJ-LJQANCHMSA-N 2 0 375.310 3.883 20 10 GHCDRP CN(C)c1ccc([C@@H](CNC2CC[NH+](Cc3ccccc3)CC2)[NH+](C)C)cc1 ZINC001461818000 1069767178 /nfs/dbraw/zinc/76/71/78/1069767178.db2.gz LWUVAYQHCFMIMQ-XMMPIXPASA-N 2 0 380.580 3.610 20 10 GHCDRP CN(C)c1ccc([C@H](CNC2CC[NH+](Cc3ccccc3)CC2)[NH+](C)C)cc1 ZINC001461817990 1069767449 /nfs/dbraw/zinc/76/74/49/1069767449.db2.gz LWUVAYQHCFMIMQ-DEOSSOPVSA-N 2 0 380.580 3.610 20 10 GHCDRP COc1cc(C[N@@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)c(O)cc1O ZINC001231639076 1034797455 /nfs/dbraw/zinc/79/74/55/1034797455.db2.gz LIGRHVIZKRBJEZ-OSJYTEGDSA-N 2 0 384.520 3.501 20 10 GHCDRP Cc1ccc(C[NH+]2CCC3(CC2)CC[NH+](Cc2cc(O)c(O)cc2O)CC3)cc1 ZINC001233483495 1039381921 /nfs/dbraw/zinc/38/19/21/1039381921.db2.gz AYTHZTATYYGQDO-UHFFFAOYSA-N 2 0 396.531 3.990 20 10 GHCDRP CC[NH+]1CCN(c2ccc(OC3CC[NH+](CCc4ccccc4)CC3)cc2)CC1 ZINC001234661446 1040195142 /nfs/dbraw/zinc/19/51/42/1040195142.db2.gz TUJDSVGBFXQOHM-UHFFFAOYSA-N 2 0 393.575 3.914 20 10 GHCDRP COc1cc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)c(O)cc1Br ZINC001235235783 1040716368 /nfs/dbraw/zinc/71/63/68/1040716368.db2.gz AZKDDXWEIYDBPU-INIZCTEOSA-N 2 0 383.330 3.517 20 10 GHCDRP CCOC(=O)c1c(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c2ccccc2n1C ZINC001235427126 1040929084 /nfs/dbraw/zinc/92/90/84/1040929084.db2.gz MYJWHBRNGOSSPQ-ROUUACIJSA-N 2 0 383.536 3.567 20 10 GHCDRP Oc1cc(N2CC[NH2+]CC2)ccc1C[N@@H+]1CCC[C@H]1c1ccc(Cl)s1 ZINC001235839728 1041365055 /nfs/dbraw/zinc/36/50/55/1041365055.db2.gz WHWLVRUBUIWSHB-INIZCTEOSA-N 2 0 377.941 3.854 20 10 GHCDRP CC(C)(C)C[N@H+](Cc1ccc(N2CCOCC2)c(Cl)c1)C1CC[NH2+]CC1 ZINC001236457214 1041720608 /nfs/dbraw/zinc/72/06/08/1041720608.db2.gz KSYFOLSGEYNXDO-UHFFFAOYSA-N 2 0 379.976 3.777 20 10 GHCDRP COC(=O)CC[N@H+](CCC[NH+](C)C)Cc1cc(-c2ccc(F)cc2)ccc1O ZINC001237642476 1042300721 /nfs/dbraw/zinc/30/07/21/1042300721.db2.gz CBVDCRTYYMFZRB-UHFFFAOYSA-N 2 0 388.483 3.515 20 10 GHCDRP Oc1ccc2ccc(O)c(C[N@@H+]3CC[C@@H](CF)C3)c2c1C[NH+]1CC[C@@H](CF)C1 ZINC001262053107 1046170086 /nfs/dbraw/zinc/17/00/86/1046170086.db2.gz PUROEUQPDZBGNZ-HOTGVXAUSA-N 2 0 390.474 3.834 20 10 GHCDRP Cc1ncsc1C[NH+]1CC2(C1)CC[NH+](Cc1cc(F)cc(C)c1O)CC2 ZINC001280033053 1048056981 /nfs/dbraw/zinc/05/69/81/1048056981.db2.gz NXTUNVDAWVNJON-UHFFFAOYSA-N 2 0 375.513 3.703 20 10 GHCDRP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001308918991 1050170165 /nfs/dbraw/zinc/17/01/65/1050170165.db2.gz PILAJUWKGLVZRG-YADHBBJMSA-N 2 0 378.564 3.958 20 10 GHCDRP COCC[N@@H+](Cc1ccc(OCc2ccccc2)cc1O)CC1CC[NH+](C)CC1 ZINC001474660405 1054225168 /nfs/dbraw/zinc/22/51/68/1054225168.db2.gz LNXYQKABZRCHQG-UHFFFAOYSA-N 2 0 398.547 3.761 20 10 GHCDRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC001200820545 1056988706 /nfs/dbraw/zinc/98/87/06/1056988706.db2.gz IOFLPOCBQXBGOI-WMZHIEFXSA-N 2 0 397.538 3.663 20 10 GHCDRP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3cnc(Cl)c(C)c3)cc2F)CC1 ZINC001200151885 1065385310 /nfs/dbraw/zinc/38/53/10/1065385310.db2.gz MHTXJOLJGRZRAY-UHFFFAOYSA-N 2 0 376.907 3.614 20 10 GHCDRP