smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Nc1cc(-c2c[nH]nc2[C@@H]2CCC[N@H+](CCOc3ccccc3)C2)cc[nH+]1 ZINC000072356492 494156972 /nfs/dbraw/zinc/15/69/72/494156972.db2.gz AYZJNTQAPJOIFJ-QGZVFWFLSA-N 2 2 363.465 3.312 40 0 FGABLP Nc1cc(-c2c[nH]nc2[C@@H]2CCC[N@@H+](CCOc3ccccc3)C2)cc[nH+]1 ZINC000072356492 494156979 /nfs/dbraw/zinc/15/69/79/494156979.db2.gz AYZJNTQAPJOIFJ-QGZVFWFLSA-N 2 2 363.465 3.312 40 0 FGABLP Cc1cc(Nc2cccc(C(=O)NCC3([NH+](C)C)CCCC3)c2)nc(C)[nH+]1 ZINC000072391804 494161976 /nfs/dbraw/zinc/16/19/76/494161976.db2.gz TZUWHBDRJJHYOE-UHFFFAOYSA-N 2 2 367.497 3.441 40 0 FGABLP CCOc1ccc(C[N@@H+]2CCc3nc([C@H]4CCCC[NH2+]4)ncc3C2)cc1 ZINC000019533354 494448081 /nfs/dbraw/zinc/44/80/81/494448081.db2.gz XDADTZCVQIUNKT-HXUWFJFHSA-N 2 2 352.482 3.248 40 0 FGABLP CCOc1ccc(C[N@H+]2CCc3nc([C@H]4CCCC[NH2+]4)ncc3C2)cc1 ZINC000019533354 494448084 /nfs/dbraw/zinc/44/80/84/494448084.db2.gz XDADTZCVQIUNKT-HXUWFJFHSA-N 2 2 352.482 3.248 40 0 FGABLP c1coc(C[N@@H+]2C[C@H]3C[NH+]([C@H]4CCOC4)CC[C@]3(c3ccccc3)C2)c1 ZINC000253595865 497343786 /nfs/dbraw/zinc/34/37/86/497343786.db2.gz JYWYAYBTUYRDFJ-JAXLGGSGSA-N 2 2 352.478 3.144 40 0 FGABLP c1coc(C[N@H+]2C[C@H]3C[NH+]([C@H]4CCOC4)CC[C@]3(c3ccccc3)C2)c1 ZINC000253595865 497343794 /nfs/dbraw/zinc/34/37/94/497343794.db2.gz JYWYAYBTUYRDFJ-JAXLGGSGSA-N 2 2 352.478 3.144 40 0 FGABLP c1coc(C[NH+]2C[C@H]3C[N@@H+]([C@H]4CCOC4)CC[C@]3(c3ccccc3)C2)c1 ZINC000253595865 497343795 /nfs/dbraw/zinc/34/37/95/497343795.db2.gz JYWYAYBTUYRDFJ-JAXLGGSGSA-N 2 2 352.478 3.144 40 0 FGABLP c1coc(C[NH+]2C[C@H]3C[N@H+]([C@H]4CCOC4)CC[C@]3(c3ccccc3)C2)c1 ZINC000253595865 497343803 /nfs/dbraw/zinc/34/38/03/497343803.db2.gz JYWYAYBTUYRDFJ-JAXLGGSGSA-N 2 2 352.478 3.144 40 0 FGABLP COc1ccc(C[N@@H+]2CCC[C@@H]2c2nc(C)ncc2C[NH+](C)C)c(F)c1 ZINC000257293330 497399953 /nfs/dbraw/zinc/39/99/53/497399953.db2.gz QPAGJHUZACQFAL-LJQANCHMSA-N 2 2 358.461 3.331 40 0 FGABLP COc1ccc(C[N@H+]2CCC[C@@H]2c2nc(C)ncc2C[NH+](C)C)c(F)c1 ZINC000257293330 497399954 /nfs/dbraw/zinc/39/99/54/497399954.db2.gz QPAGJHUZACQFAL-LJQANCHMSA-N 2 2 358.461 3.331 40 0 FGABLP Cc1ccc(C[NH+]2CC3(C2)CC[C@H](C[N@@H+](C)Cc2cccnc2)CO3)o1 ZINC000585104154 507569941 /nfs/dbraw/zinc/56/99/41/507569941.db2.gz GIXLPTZTDHERHG-LJQANCHMSA-N 2 2 355.482 3.096 40 0 FGABLP Cc1ccc(C[NH+]2CC3(C2)CC[C@H](C[N@H+](C)Cc2cccnc2)CO3)o1 ZINC000585104154 507569945 /nfs/dbraw/zinc/56/99/45/507569945.db2.gz GIXLPTZTDHERHG-LJQANCHMSA-N 2 2 355.482 3.096 40 0 FGABLP Cc1ccc2[nH+]c(CN3C(=O)C[C@H]4[C@@H]3CC[N@@H+]4CC3CCCCC3)cn2c1 ZINC000585109135 507574978 /nfs/dbraw/zinc/57/49/78/507574978.db2.gz XTJLRBOWJXQJFN-PMACEKPBSA-N 2 2 366.509 3.398 40 0 FGABLP Cc1ccc2[nH+]c(CN3C(=O)C[C@H]4[C@@H]3CC[N@H+]4CC3CCCCC3)cn2c1 ZINC000585109135 507574984 /nfs/dbraw/zinc/57/49/84/507574984.db2.gz XTJLRBOWJXQJFN-PMACEKPBSA-N 2 2 366.509 3.398 40 0 FGABLP Cc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2cnc(N(C)C)nc2)s1 ZINC000043277876 205102590 /nfs/dbraw/zinc/10/25/90/205102590.db2.gz XWSJKAQIPUBYQM-UHFFFAOYSA-N 2 2 370.526 3.202 40 0 FGABLP Cc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2cnc(N(C)C)nc2)s1 ZINC000043277876 205102594 /nfs/dbraw/zinc/10/25/94/205102594.db2.gz XWSJKAQIPUBYQM-UHFFFAOYSA-N 2 2 370.526 3.202 40 0 FGABLP Cc1[nH+]ccn1CC1(O)CC[NH+](Cc2cc(Cl)c(C)c(C)c2N)CC1 ZINC000012221439 494214933 /nfs/dbraw/zinc/21/49/33/494214933.db2.gz BGPQSVHDOXXKFZ-UHFFFAOYSA-N 2 2 362.905 3.071 40 0 FGABLP CCN(C(=O)COc1cc(C)[nH+]c2ccc(C)cc21)C1CC[NH+](C)CC1 ZINC000019655449 494453690 /nfs/dbraw/zinc/45/36/90/494453690.db2.gz LNMNMBLTHUWRIU-UHFFFAOYSA-N 2 2 355.482 3.173 40 0 FGABLP COc1ccc(C[N@@H+]2CCOC[C@@]3(CC[NH+](Cc4cccs4)C3)C2)cc1 ZINC000096062405 494999480 /nfs/dbraw/zinc/99/94/80/494999480.db2.gz HOGMRNNLBUQERZ-OAQYLSRUSA-N 2 2 372.534 3.481 40 0 FGABLP COc1ccc(C[N@H+]2CCOC[C@@]3(CC[NH+](Cc4cccs4)C3)C2)cc1 ZINC000096062405 494999484 /nfs/dbraw/zinc/99/94/84/494999484.db2.gz HOGMRNNLBUQERZ-OAQYLSRUSA-N 2 2 372.534 3.481 40 0 FGABLP COc1ccc(C[NH+]2CCOC[C@@]3(CC[N@H+](Cc4cccs4)C3)C2)cc1 ZINC000096062405 494999485 /nfs/dbraw/zinc/99/94/85/494999485.db2.gz HOGMRNNLBUQERZ-OAQYLSRUSA-N 2 2 372.534 3.481 40 0 FGABLP COc1ccc(C[NH+]2CCOC[C@@]3(CC[N@@H+](Cc4cccs4)C3)C2)cc1 ZINC000096062405 494999486 /nfs/dbraw/zinc/99/94/86/494999486.db2.gz HOGMRNNLBUQERZ-OAQYLSRUSA-N 2 2 372.534 3.481 40 0 FGABLP c1coc(C[N@@H+]2C[C@@H]3C[NH+]([C@@H]4CCOC4)CC[C@]3(c3ccccc3)C2)c1 ZINC000253595866 497343893 /nfs/dbraw/zinc/34/38/93/497343893.db2.gz JYWYAYBTUYRDFJ-KCZVDYSFSA-N 2 2 352.478 3.144 40 0 FGABLP c1coc(C[N@H+]2C[C@@H]3C[NH+]([C@@H]4CCOC4)CC[C@]3(c3ccccc3)C2)c1 ZINC000253595866 497343898 /nfs/dbraw/zinc/34/38/98/497343898.db2.gz JYWYAYBTUYRDFJ-KCZVDYSFSA-N 2 2 352.478 3.144 40 0 FGABLP c1coc(C[NH+]2C[C@@H]3C[N@@H+]([C@@H]4CCOC4)CC[C@]3(c3ccccc3)C2)c1 ZINC000253595866 497343900 /nfs/dbraw/zinc/34/39/00/497343900.db2.gz JYWYAYBTUYRDFJ-KCZVDYSFSA-N 2 2 352.478 3.144 40 0 FGABLP c1coc(C[NH+]2C[C@@H]3C[N@H+]([C@@H]4CCOC4)CC[C@]3(c3ccccc3)C2)c1 ZINC000253595866 497343905 /nfs/dbraw/zinc/34/39/05/497343905.db2.gz JYWYAYBTUYRDFJ-KCZVDYSFSA-N 2 2 352.478 3.144 40 0 FGABLP C[NH+](C)Cc1ccnc([C@@H]2CCC[N@@H+]2CC2=Cc3ccccc3OC2)n1 ZINC000257245763 497394531 /nfs/dbraw/zinc/39/45/31/497394531.db2.gz IQZHJYBWIHPNEV-IBGZPJMESA-N 2 2 350.466 3.151 40 0 FGABLP C[NH+](C)Cc1ccnc([C@@H]2CCC[N@H+]2CC2=Cc3ccccc3OC2)n1 ZINC000257245763 497394535 /nfs/dbraw/zinc/39/45/35/497394535.db2.gz IQZHJYBWIHPNEV-IBGZPJMESA-N 2 2 350.466 3.151 40 0 FGABLP Cc1nc2c(n1C(C)C)C[N@H+](Cc1cccnc1)CC21CC[NH+](C)CC1 ZINC000306126651 498739054 /nfs/dbraw/zinc/73/90/54/498739054.db2.gz FAYDAVCFAJQWKC-UHFFFAOYSA-N 2 2 353.514 3.147 40 0 FGABLP Cc1nc2c(n1C(C)C)C[N@@H+](Cc1cccnc1)CC21CC[NH+](C)CC1 ZINC000306126651 498739058 /nfs/dbraw/zinc/73/90/58/498739058.db2.gz FAYDAVCFAJQWKC-UHFFFAOYSA-N 2 2 353.514 3.147 40 0 FGABLP C[C@@H]1CCCC[NH+]1Cc1nnc(C[N@H+]2CCCC[C@H]2C)n1-n1cccc1 ZINC000260574432 497406169 /nfs/dbraw/zinc/40/61/69/497406169.db2.gz YYMKLJRNCLOCAZ-QZTJIDSGSA-N 2 2 356.518 3.140 40 0 FGABLP C[C@@H]1CCCC[NH+]1Cc1nnc(C[N@@H+]2CCCC[C@H]2C)n1-n1cccc1 ZINC000260574432 497406175 /nfs/dbraw/zinc/40/61/75/497406175.db2.gz YYMKLJRNCLOCAZ-QZTJIDSGSA-N 2 2 356.518 3.140 40 0 FGABLP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000038831761 205043039 /nfs/dbraw/zinc/04/30/39/205043039.db2.gz KILCFYSIFZBBNK-UHFFFAOYSA-N 2 2 374.488 3.457 40 0 FGABLP CC[C@H](C[NH+]1CCOCC1)n1c[nH+]cc1-c1ccc2c(c1)CCN2CC ZINC000019719385 494458226 /nfs/dbraw/zinc/45/82/26/494458226.db2.gz GYKSBAMJKBDTLL-LJQANCHMSA-N 2 2 354.498 3.216 40 0 FGABLP Fc1ccc(C[N@H+]2Cc3c[nH+]cn3C[C@H](COc3cccnc3)C2)cc1 ZINC000096209726 495006291 /nfs/dbraw/zinc/00/62/91/495006291.db2.gz KPGDHHSPRQTRLM-QGZVFWFLSA-N 2 2 352.413 3.128 40 0 FGABLP Fc1ccc(C[N@@H+]2Cc3c[nH+]cn3C[C@H](COc3cccnc3)C2)cc1 ZINC000096209726 495006296 /nfs/dbraw/zinc/00/62/96/495006296.db2.gz KPGDHHSPRQTRLM-QGZVFWFLSA-N 2 2 352.413 3.128 40 0 FGABLP C[NH+](C)CC[C@@H]1CN(C(=O)Cc2csc3ccccc23)Cc2c[nH+]cn21 ZINC000248106493 496954853 /nfs/dbraw/zinc/95/48/53/496954853.db2.gz IVUDVIINJFEIQJ-MRXNPFEDSA-N 2 2 368.506 3.176 40 0 FGABLP CC[NH+](CC)Cc1nc(C2(O)CC[NH+](Cc3ccccc3)CC2)cs1 ZINC000225462664 497063777 /nfs/dbraw/zinc/06/37/77/497063777.db2.gz DUIXCJXKXYCNGO-UHFFFAOYSA-N 2 2 359.539 3.469 40 0 biogenic,in-vitro FGABLP COc1ccc2[nH]c(C[N@@H+]3CCO[C@@H](c4cc(N)cc(C)[nH+]4)C3)cc2c1 ZINC000257247628 497394798 /nfs/dbraw/zinc/39/47/98/497394798.db2.gz IZVIVAWDPIWMDH-HXUWFJFHSA-N 2 2 352.438 3.036 40 0 FGABLP COc1ccc2[nH]c(C[N@H+]3CCO[C@@H](c4cc(N)cc(C)[nH+]4)C3)cc2c1 ZINC000257247628 497394804 /nfs/dbraw/zinc/39/48/04/497394804.db2.gz IZVIVAWDPIWMDH-HXUWFJFHSA-N 2 2 352.438 3.036 40 0 FGABLP c1ccc(-c2cc(NCC[NH+]3CCOCC3)nc(NC3CCCC3)[nH+]2)cc1 ZINC000244014107 206120428 /nfs/dbraw/zinc/12/04/28/206120428.db2.gz SMNXSRGKQRKYNF-UHFFFAOYSA-N 2 2 367.497 3.242 40 0 FGABLP CCOc1ccc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3[NH+]2CCOCC2)cc1OC ZINC000019533703 494448823 /nfs/dbraw/zinc/44/88/23/494448823.db2.gz JALYWSCHUIYOPH-QIDMFYOTSA-N 2 2 374.525 3.027 40 0 FGABLP CCOc1ccc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3[NH+]2CCOCC2)cc1OC ZINC000019533703 494448824 /nfs/dbraw/zinc/44/88/24/494448824.db2.gz JALYWSCHUIYOPH-QIDMFYOTSA-N 2 2 374.525 3.027 40 0 FGABLP COc1cccc([C@H]2C[N@H+](Cc3ccccc3OC)[C@@H]3CCC[NH2+][C@@H]32)c1 ZINC000019566488 494450540 /nfs/dbraw/zinc/45/05/40/494450540.db2.gz ARZQXWWENDSWKH-KCZVDYSFSA-N 2 2 352.478 3.424 40 0 FGABLP COc1cccc([C@H]2C[N@@H+](Cc3ccccc3OC)[C@@H]3CCC[NH2+][C@@H]32)c1 ZINC000019566488 494450544 /nfs/dbraw/zinc/45/05/44/494450544.db2.gz ARZQXWWENDSWKH-KCZVDYSFSA-N 2 2 352.478 3.424 40 0 FGABLP FC1(F)CC[N@H+](Cc2cccnc2)C[C@]12CC[NH+](Cc1ccccn1)C2 ZINC000096239798 495008763 /nfs/dbraw/zinc/00/87/63/495008763.db2.gz IHKOBDGAENJKPJ-IBGZPJMESA-N 2 2 358.436 3.210 40 0 FGABLP FC1(F)CC[N@@H+](Cc2cccnc2)C[C@]12CC[NH+](Cc1ccccn1)C2 ZINC000096239798 495008765 /nfs/dbraw/zinc/00/87/65/495008765.db2.gz IHKOBDGAENJKPJ-IBGZPJMESA-N 2 2 358.436 3.210 40 0 FGABLP FC1(F)CC[NH+](Cc2cccnc2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC000096239798 495008767 /nfs/dbraw/zinc/00/87/67/495008767.db2.gz IHKOBDGAENJKPJ-IBGZPJMESA-N 2 2 358.436 3.210 40 0 FGABLP FC1(F)CC[NH+](Cc2cccnc2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC000096239798 495008768 /nfs/dbraw/zinc/00/87/68/495008768.db2.gz IHKOBDGAENJKPJ-IBGZPJMESA-N 2 2 358.436 3.210 40 0 FGABLP CNc1cc([C@@H]2CCCN(C(=O)CCn3cc[nH+]c3C(C)C)C2)cc[nH+]1 ZINC000257284672 497399486 /nfs/dbraw/zinc/39/94/86/497399486.db2.gz PDTFFNSZCBNSBM-QGZVFWFLSA-N 2 2 355.486 3.240 40 0 FGABLP Cc1[nH+]cc(-c2nccnc2[C@H]2CCC[N@H+](Cc3cscn3)C2)n1C ZINC000257317017 497402634 /nfs/dbraw/zinc/40/26/34/497402634.db2.gz VHZZVQRNOXFYSN-AWEZNQCLSA-N 2 2 354.483 3.022 40 0 FGABLP Cc1[nH+]cc(-c2nccnc2[C@H]2CCC[N@@H+](Cc3cscn3)C2)n1C ZINC000257317017 497402637 /nfs/dbraw/zinc/40/26/37/497402637.db2.gz VHZZVQRNOXFYSN-AWEZNQCLSA-N 2 2 354.483 3.022 40 0 FGABLP Cc1[nH+]cc(-c2nccnc2C2CC[NH+](Cc3cscn3)CC2)n1C ZINC000585179608 507579631 /nfs/dbraw/zinc/57/96/31/507579631.db2.gz BOVNFIPZGBDUNS-UHFFFAOYSA-N 2 2 354.483 3.022 40 0 FGABLP CCOc1ccc(C[N@@H+]2CCc3nc([C@@H]4CCCC[NH2+]4)ncc3C2)cc1 ZINC000019533352 494447155 /nfs/dbraw/zinc/44/71/55/494447155.db2.gz XDADTZCVQIUNKT-FQEVSTJZSA-N 2 2 352.482 3.248 40 0 FGABLP CCOc1ccc(C[N@H+]2CCc3nc([C@@H]4CCCC[NH2+]4)ncc3C2)cc1 ZINC000019533352 494447157 /nfs/dbraw/zinc/44/71/57/494447157.db2.gz XDADTZCVQIUNKT-FQEVSTJZSA-N 2 2 352.482 3.248 40 0 FGABLP Cc1nc2c(n1C(C)C)C[N@H+](Cc1cccc(C)n1)CC21CC[NH+](C)CC1 ZINC000306137556 498740258 /nfs/dbraw/zinc/74/02/58/498740258.db2.gz QZUAJWJQLGZLJP-UHFFFAOYSA-N 2 2 367.541 3.455 40 0 FGABLP Cc1nc2c(n1C(C)C)C[N@@H+](Cc1cccc(C)n1)CC21CC[NH+](C)CC1 ZINC000306137556 498740262 /nfs/dbraw/zinc/74/02/62/498740262.db2.gz QZUAJWJQLGZLJP-UHFFFAOYSA-N 2 2 367.541 3.455 40 0 FGABLP C[NH+](C)CCCNc1nc(Nc2ccc(F)cc2Cl)cc(C2CC2)[nH+]1 ZINC000329046981 499025897 /nfs/dbraw/zinc/02/58/97/499025897.db2.gz UDNBMXFNKLYEKV-UHFFFAOYSA-N 2 2 363.868 3.098 40 0 FGABLP CC(C)c1cc(N2Cc3ccccc3C(C)(C)C2)nc(NCC[NH+](C)C)[nH+]1 ZINC000329038632 132372846 /nfs/dbraw/zinc/37/28/46/132372846.db2.gz RTNUJMFHOORIKE-UHFFFAOYSA-N 2 2 367.541 3.293 40 0 FGABLP COc1ccc(C[NH+]2CCC3(C[C@@H](Nc4cccc[nH+]4)CO3)CC2)cc1 ZINC000096221289 495007999 /nfs/dbraw/zinc/00/79/99/495007999.db2.gz IDSZQQDTGVSHHW-GOSISDBHSA-N 2 2 353.466 3.326 40 0 FGABLP Cc1cc(C[N@H+]2Cc3cccn3C[C@@H](CCNc3cccc[nH+]3)C2)no1 ZINC000585095467 507566636 /nfs/dbraw/zinc/56/66/36/507566636.db2.gz SFJTVFVWUYGHLM-KRWDZBQOSA-N 2 2 351.454 3.314 40 0 FGABLP Cc1cc(C[N@@H+]2Cc3cccn3C[C@@H](CCNc3cccc[nH+]3)C2)no1 ZINC000585095467 507566639 /nfs/dbraw/zinc/56/66/39/507566639.db2.gz SFJTVFVWUYGHLM-KRWDZBQOSA-N 2 2 351.454 3.314 40 0 FGABLP CC[NH+](CC)CN1c2ccccc2[C@@]2([NH2+]CCc3c4ccccc4[nH]c32)C1=O ZINC000013635179 220080689 /nfs/dbraw/zinc/08/06/89/220080689.db2.gz PAGSUPZQAWVOKD-QHCPKHFHSA-N 2 2 374.488 3.203 40 0 FGABLP C1=C[C@@H]2C[C@H]1C[C@@H]2C[NH+]1CCC([NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000224081743 132281085 /nfs/dbraw/zinc/28/10/85/132281085.db2.gz IDTNYARQDYXIEF-PWRODBHTSA-N 2 2 351.538 3.485 40 0 FGABLP O=C(c1ccc(Cn2cc[nH+]c2)o1)N1CCCC[C@@H]1C[NH+]1CCCCCC1 ZINC000019342577 494442532 /nfs/dbraw/zinc/44/25/32/494442532.db2.gz AMISVNICPXAZFQ-GOSISDBHSA-N 2 2 370.497 3.395 40 0 FGABLP CC1CCN(c2ncc(-c3c[nH+]cn3CC[N@H+](C)C3CCCC3)cn2)CC1 ZINC000019719992 494458462 /nfs/dbraw/zinc/45/84/62/494458462.db2.gz QLKHGPTWHCFXSI-UHFFFAOYSA-N 2 2 368.529 3.451 40 0 FGABLP CC1CCN(c2ncc(-c3c[nH+]cn3CC[N@@H+](C)C3CCCC3)cn2)CC1 ZINC000019719992 494458464 /nfs/dbraw/zinc/45/84/64/494458464.db2.gz QLKHGPTWHCFXSI-UHFFFAOYSA-N 2 2 368.529 3.451 40 0 FGABLP C[C@@H]1CCCN(c2ncc(-c3c[nH+]cn3CCC[NH+]3CCCCC3)cn2)C1 ZINC000019719996 494459126 /nfs/dbraw/zinc/45/91/26/494459126.db2.gz OAGUOBOEBKAIFU-GOSISDBHSA-N 2 2 368.529 3.452 40 0 FGABLP Cn1c[nH+]cc1C[N@@H+]1[C@H](c2ccc(F)cc2)C[C@]2(C)NC(=O)CCCC[C@H]12 ZINC000257211763 497390084 /nfs/dbraw/zinc/39/00/84/497390084.db2.gz CAHLFJFYFJJSTE-ZJOUEHCJSA-N 2 2 370.472 3.324 40 0 FGABLP Cn1c[nH+]cc1C[N@H+]1[C@H](c2ccc(F)cc2)C[C@]2(C)NC(=O)CCCC[C@H]12 ZINC000257211763 497390087 /nfs/dbraw/zinc/39/00/87/497390087.db2.gz CAHLFJFYFJJSTE-ZJOUEHCJSA-N 2 2 370.472 3.324 40 0 FGABLP Cc1[nH+]cc(-c2nccnc2[C@@H]2CCC[N@H+](Cc3cscn3)C2)n1C ZINC000257317018 497402419 /nfs/dbraw/zinc/40/24/19/497402419.db2.gz VHZZVQRNOXFYSN-CQSZACIVSA-N 2 2 354.483 3.022 40 0 FGABLP Cc1[nH+]cc(-c2nccnc2[C@@H]2CCC[N@@H+](Cc3cscn3)C2)n1C ZINC000257317018 497402424 /nfs/dbraw/zinc/40/24/24/497402424.db2.gz VHZZVQRNOXFYSN-CQSZACIVSA-N 2 2 354.483 3.022 40 0 FGABLP Cc1nc(C[N@@H+]2CCC[C@]3(C[NH+](Cc4cccnc4)CCO3)CC2)cs1 ZINC000306126308 498737821 /nfs/dbraw/zinc/73/78/21/498737821.db2.gz DSDBRIRTDUBMFI-HXUWFJFHSA-N 2 2 372.538 3.104 40 0 FGABLP Cc1nc(C[N@H+]2CCC[C@]3(C[NH+](Cc4cccnc4)CCO3)CC2)cs1 ZINC000306126308 498737828 /nfs/dbraw/zinc/73/78/28/498737828.db2.gz DSDBRIRTDUBMFI-HXUWFJFHSA-N 2 2 372.538 3.104 40 0 FGABLP Cc1nc(C[NH+]2CCC[C@]3(C[N@H+](Cc4cccnc4)CCO3)CC2)cs1 ZINC000306126308 498737834 /nfs/dbraw/zinc/73/78/34/498737834.db2.gz DSDBRIRTDUBMFI-HXUWFJFHSA-N 2 2 372.538 3.104 40 0 FGABLP Cc1nc(C[NH+]2CCC[C@]3(C[N@@H+](Cc4cccnc4)CCO3)CC2)cs1 ZINC000306126308 498737842 /nfs/dbraw/zinc/73/78/42/498737842.db2.gz DSDBRIRTDUBMFI-HXUWFJFHSA-N 2 2 372.538 3.104 40 0 FGABLP Cc1ccc(C[NH+]2CC3(C2)CC[C@@H](C[N@@H+](C)Cc2cccnc2)CO3)o1 ZINC000585104152 507570736 /nfs/dbraw/zinc/57/07/36/507570736.db2.gz GIXLPTZTDHERHG-IBGZPJMESA-N 2 2 355.482 3.096 40 0 FGABLP Cc1ccc(C[NH+]2CC3(C2)CC[C@@H](C[N@H+](C)Cc2cccnc2)CO3)o1 ZINC000585104152 507570744 /nfs/dbraw/zinc/57/07/44/507570744.db2.gz GIXLPTZTDHERHG-IBGZPJMESA-N 2 2 355.482 3.096 40 0 FGABLP Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CC[NH+](Cc3cccs3)C2)C1 ZINC000096062398 209106608 /nfs/dbraw/zinc/10/66/08/209106608.db2.gz OKXHOKGTJVQQHC-IBGZPJMESA-N 2 2 361.511 3.077 40 0 FGABLP Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CC[NH+](Cc3cccs3)C2)C1 ZINC000096062398 209106613 /nfs/dbraw/zinc/10/66/13/209106613.db2.gz OKXHOKGTJVQQHC-IBGZPJMESA-N 2 2 361.511 3.077 40 0 FGABLP Cc1noc(C)c1C[NH+]1CCOC[C@]2(CC[N@H+](Cc3cccs3)C2)C1 ZINC000096062398 209106614 /nfs/dbraw/zinc/10/66/14/209106614.db2.gz OKXHOKGTJVQQHC-IBGZPJMESA-N 2 2 361.511 3.077 40 0 FGABLP Cc1noc(C)c1C[NH+]1CCOC[C@]2(CC[N@@H+](Cc3cccs3)C2)C1 ZINC000096062398 209106616 /nfs/dbraw/zinc/10/66/16/209106616.db2.gz OKXHOKGTJVQQHC-IBGZPJMESA-N 2 2 361.511 3.077 40 0 FGABLP CCOC(=O)[C@@]12C[N@@H+](C(C)C)C[C@@H]1C[NH+](Cc1ccc(F)cc1)CCC2 ZINC000096055906 209104503 /nfs/dbraw/zinc/10/45/03/209104503.db2.gz KINDNUJWYPHLSE-RXVVDRJESA-N 2 2 362.489 3.311 40 0 FGABLP CCOC(=O)[C@@]12C[N@H+](C(C)C)C[C@@H]1C[NH+](Cc1ccc(F)cc1)CCC2 ZINC000096055906 209104506 /nfs/dbraw/zinc/10/45/06/209104506.db2.gz KINDNUJWYPHLSE-RXVVDRJESA-N 2 2 362.489 3.311 40 0 FGABLP CCOC(=O)[C@@]12C[NH+](C(C)C)C[C@@H]1C[N@H+](Cc1ccc(F)cc1)CCC2 ZINC000096055906 209104508 /nfs/dbraw/zinc/10/45/08/209104508.db2.gz KINDNUJWYPHLSE-RXVVDRJESA-N 2 2 362.489 3.311 40 0 FGABLP CCOC(=O)[C@@]12C[NH+](C(C)C)C[C@@H]1C[N@@H+](Cc1ccc(F)cc1)CCC2 ZINC000096055906 209104512 /nfs/dbraw/zinc/10/45/12/209104512.db2.gz KINDNUJWYPHLSE-RXVVDRJESA-N 2 2 362.489 3.311 40 0 FGABLP Cc1cc2[nH+]c(CCC(=O)N[C@H](C)C[NH+]3CCCCCC3)[nH]c2c(C)c1 ZINC000019568394 494450592 /nfs/dbraw/zinc/45/05/92/494450592.db2.gz UMVKPOGWIJPNHA-QGZVFWFLSA-N 2 2 356.514 3.493 40 0 FGABLP CC[C@H](C[NH+]1CCOCC1)n1c[nH+]cc1-c1ccc2c(c1)CCCN2C ZINC000019720033 494458592 /nfs/dbraw/zinc/45/85/92/494458592.db2.gz QMZBLQZMPXCDKJ-LJQANCHMSA-N 2 2 354.498 3.216 40 0 FGABLP COc1ncccc1C[N@H+]1C[C@@H]2Cc3[nH+]cc(-c4ccccc4)n3C[C@H]2C1 ZINC000306129166 498739187 /nfs/dbraw/zinc/73/91/87/498739187.db2.gz HWGOUQUQAYZHKI-RBUKOAKNSA-N 2 2 360.461 3.258 40 0 FGABLP COc1ncccc1C[N@@H+]1C[C@@H]2Cc3[nH+]cc(-c4ccccc4)n3C[C@H]2C1 ZINC000306129166 498739193 /nfs/dbraw/zinc/73/91/93/498739193.db2.gz HWGOUQUQAYZHKI-RBUKOAKNSA-N 2 2 360.461 3.258 40 0 FGABLP COc1ccc(-c2c[nH+]c3n2C[C@H]2C[N@@H+](Cc4cccnc4)C[C@@H]2C3)cc1 ZINC000306142755 498742348 /nfs/dbraw/zinc/74/23/48/498742348.db2.gz XIJXTRFPPCNVSN-RBUKOAKNSA-N 2 2 360.461 3.258 40 0 FGABLP COc1ccc(-c2c[nH+]c3n2C[C@H]2C[N@H+](Cc4cccnc4)C[C@@H]2C3)cc1 ZINC000306142755 498742354 /nfs/dbraw/zinc/74/23/54/498742354.db2.gz XIJXTRFPPCNVSN-RBUKOAKNSA-N 2 2 360.461 3.258 40 0 FGABLP C[N@@H+](Cc1cccnc1)C[C@H]1CCC2(C[NH+](Cc3ccc(F)cc3)C2)OC1 ZINC000585105183 507572700 /nfs/dbraw/zinc/57/27/00/507572700.db2.gz PSKQGAPDTNMETN-HXUWFJFHSA-N 2 2 369.484 3.334 40 0 FGABLP C[N@H+](Cc1cccnc1)C[C@H]1CCC2(C[NH+](Cc3ccc(F)cc3)C2)OC1 ZINC000585105183 507572707 /nfs/dbraw/zinc/57/27/07/507572707.db2.gz PSKQGAPDTNMETN-HXUWFJFHSA-N 2 2 369.484 3.334 40 0 FGABLP Cc1ncsc1C[N@@H+]1CC[C@@]2(C1)CCC[C@H](CNc1cccc[nH+]1)O2 ZINC000096209900 209135972 /nfs/dbraw/zinc/13/59/72/209135972.db2.gz BDUGUQRMKVQDHX-VQIMIIECSA-N 2 2 358.511 3.472 40 0 FGABLP Cc1ncsc1C[N@H+]1CC[C@@]2(C1)CCC[C@H](CNc1cccc[nH+]1)O2 ZINC000096209900 209135975 /nfs/dbraw/zinc/13/59/75/209135975.db2.gz BDUGUQRMKVQDHX-VQIMIIECSA-N 2 2 358.511 3.472 40 0 FGABLP CC(C)c1cc(N2CCc3cc(Cl)ccc3C2)nc(NCC[NH+](C)C)[nH+]1 ZINC000329001463 132372351 /nfs/dbraw/zinc/37/23/51/132372351.db2.gz KEPJSDGFRLKGIW-UHFFFAOYSA-N 2 2 373.932 3.212 40 0 FGABLP CCc1[nH+]c2ccccc2n1C[C@@H](C)C(=O)N1CCC[C@@H](C[NH+](C)C)C1 ZINC000019523265 494447297 /nfs/dbraw/zinc/44/72/97/494447297.db2.gz BUTSSRPTLWDRTJ-SJORKVTESA-N 2 2 356.514 3.035 40 0 FGABLP Cc1ncsc1C[N@@H+]1CC[C@@]2(CCC[NH+]2Cc2ccccc2)[C@@H](O)C1 ZINC000257206149 497390957 /nfs/dbraw/zinc/39/09/57/497390957.db2.gz BCBFLPGTNBPUMQ-PMACEKPBSA-N 2 2 357.523 3.053 40 0 FGABLP Cc1ncsc1C[N@H+]1CC[C@@]2(CCC[NH+]2Cc2ccccc2)[C@@H](O)C1 ZINC000257206149 497390962 /nfs/dbraw/zinc/39/09/62/497390962.db2.gz BCBFLPGTNBPUMQ-PMACEKPBSA-N 2 2 357.523 3.053 40 0 FGABLP Cc1ncsc1C[NH+]1CC[C@@]2(CCC[N@@H+]2Cc2ccccc2)[C@@H](O)C1 ZINC000257206149 497390966 /nfs/dbraw/zinc/39/09/66/497390966.db2.gz BCBFLPGTNBPUMQ-PMACEKPBSA-N 2 2 357.523 3.053 40 0 FGABLP Cc1ncsc1C[NH+]1CC[C@@]2(CCC[N@H+]2Cc2ccccc2)[C@@H](O)C1 ZINC000257206149 497390970 /nfs/dbraw/zinc/39/09/70/497390970.db2.gz BCBFLPGTNBPUMQ-PMACEKPBSA-N 2 2 357.523 3.053 40 0 FGABLP Cc1cc(CC[C@H]2CCC[N@@H+]2Cc2ccc(S(C)(=O)=O)cc2)cc[nH+]1 ZINC000257322379 497404008 /nfs/dbraw/zinc/40/40/08/497404008.db2.gz WFSVHGBAUBFGAP-LJQANCHMSA-N 2 2 358.507 3.391 40 0 FGABLP Cc1cc(CC[C@H]2CCC[N@H+]2Cc2ccc(S(C)(=O)=O)cc2)cc[nH+]1 ZINC000257322379 497404014 /nfs/dbraw/zinc/40/40/14/497404014.db2.gz WFSVHGBAUBFGAP-LJQANCHMSA-N 2 2 358.507 3.391 40 0 FGABLP Cc1[nH+]c([C@@]2(C)CCCN(C(=O)CC[NH+]3CCCCC3)C2)c2sccn12 ZINC000257336147 210002713 /nfs/dbraw/zinc/00/27/13/210002713.db2.gz YNKBWELGPWBCQL-FQEVSTJZSA-N 2 2 374.554 3.460 40 0 FGABLP Fc1ccc(C[N@H+]2Cc3c[nH+]cn3C[C@@H](COc3cccnc3)C2)cc1 ZINC000096209725 209136828 /nfs/dbraw/zinc/13/68/28/209136828.db2.gz KPGDHHSPRQTRLM-KRWDZBQOSA-N 2 2 352.413 3.128 40 0 FGABLP Fc1ccc(C[N@@H+]2Cc3c[nH+]cn3C[C@@H](COc3cccnc3)C2)cc1 ZINC000096209725 209136830 /nfs/dbraw/zinc/13/68/30/209136830.db2.gz KPGDHHSPRQTRLM-KRWDZBQOSA-N 2 2 352.413 3.128 40 0 FGABLP CC[NH+]1CCN(c2ncc(-c3[nH]cc[nH+]3)c(-c3ccc(Cl)cc3)n2)CC1 ZINC000012221236 132854650 /nfs/dbraw/zinc/85/46/50/132854650.db2.gz ULZQTOKVIRGZQH-UHFFFAOYSA-N 2 2 368.872 3.329 40 0 FGABLP Nc1cc(-c2c[nH]nc2[C@H]2CC[N@H+](CCOCc3ccccc3)C2)cc[nH+]1 ZINC000072370833 494160048 /nfs/dbraw/zinc/16/00/48/494160048.db2.gz OGRUSMPENHMUHG-SFHVURJKSA-N 2 2 363.465 3.060 40 0 FGABLP Nc1cc(-c2c[nH]nc2[C@H]2CC[N@@H+](CCOCc3ccccc3)C2)cc[nH+]1 ZINC000072370833 494160049 /nfs/dbraw/zinc/16/00/49/494160049.db2.gz OGRUSMPENHMUHG-SFHVURJKSA-N 2 2 363.465 3.060 40 0 FGABLP Cc1[nH+]ccn1CCCNC(=O)c1cccc(Nc2cc(C)[nH+]c(C)n2)c1 ZINC000019117598 494435587 /nfs/dbraw/zinc/43/55/87/494435587.db2.gz KTYSTYOWXUESHB-UHFFFAOYSA-N 2 2 364.453 3.162 40 0 FGABLP COc1ccc(-c2c[nH+]c3n2C[C@H]2C[N@@H+](Cc4ccccn4)C[C@H]2C3)cc1 ZINC000306126257 498737064 /nfs/dbraw/zinc/73/70/64/498737064.db2.gz DQYZLQZDJUSFPC-QZTJIDSGSA-N 2 2 360.461 3.258 40 0 FGABLP COc1ccc(-c2c[nH+]c3n2C[C@H]2C[N@H+](Cc4ccccn4)C[C@H]2C3)cc1 ZINC000306126257 498737070 /nfs/dbraw/zinc/73/70/70/498737070.db2.gz DQYZLQZDJUSFPC-QZTJIDSGSA-N 2 2 360.461 3.258 40 0 FGABLP Cc1ccc(Nc2cc(C3CC3)[nH+]c(NCCC[NH+](C)C)n2)c(Cl)c1 ZINC000329021791 499016884 /nfs/dbraw/zinc/01/68/84/499016884.db2.gz OJXYOGWZRICROM-UHFFFAOYSA-N 2 2 359.905 3.267 40 0 FGABLP FC1(F)CC[N@H+](Cc2ccncc2)C[C@@]12CC[NH+](Cc1ccccn1)C2 ZINC000096239801 209142043 /nfs/dbraw/zinc/14/20/43/209142043.db2.gz UIVNGWMALJSRNJ-LJQANCHMSA-N 2 2 358.436 3.210 40 0 FGABLP FC1(F)CC[N@@H+](Cc2ccncc2)C[C@@]12CC[NH+](Cc1ccccn1)C2 ZINC000096239801 209142047 /nfs/dbraw/zinc/14/20/47/209142047.db2.gz UIVNGWMALJSRNJ-LJQANCHMSA-N 2 2 358.436 3.210 40 0 FGABLP FC1(F)CC[NH+](Cc2ccncc2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC000096239801 209142049 /nfs/dbraw/zinc/14/20/49/209142049.db2.gz UIVNGWMALJSRNJ-LJQANCHMSA-N 2 2 358.436 3.210 40 0 FGABLP FC1(F)CC[NH+](Cc2ccncc2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC000096239801 209142051 /nfs/dbraw/zinc/14/20/51/209142051.db2.gz UIVNGWMALJSRNJ-LJQANCHMSA-N 2 2 358.436 3.210 40 0 FGABLP COc1cccc(C[N@@H+]2CC[C@]3(C2)C[C@H](Nc2cccc[nH+]2)CCO3)c1 ZINC000096208252 209134706 /nfs/dbraw/zinc/13/47/06/209134706.db2.gz NSHKPJBYIJJWQA-WIYYLYMNSA-N 2 2 353.466 3.326 40 0 FGABLP COc1cccc(C[N@H+]2CC[C@]3(C2)C[C@H](Nc2cccc[nH+]2)CCO3)c1 ZINC000096208252 209134710 /nfs/dbraw/zinc/13/47/10/209134710.db2.gz NSHKPJBYIJJWQA-WIYYLYMNSA-N 2 2 353.466 3.326 40 0 FGABLP Cc1[nH+]c2ccccc2n1[C@@H](C)C(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000248082618 496953071 /nfs/dbraw/zinc/95/30/71/496953071.db2.gz AQLZRZVJOJXQQV-KKSFZXQISA-N 2 2 362.477 3.421 40 0 FGABLP Cc1[nH+]c2ccccc2n1[C@@H](C)C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000248082618 496953078 /nfs/dbraw/zinc/95/30/78/496953078.db2.gz AQLZRZVJOJXQQV-KKSFZXQISA-N 2 2 362.477 3.421 40 0 FGABLP CC(C)[NH+]1CCC(O)(c2csc(C[N@@H+]3CCc4ccccc4C3)n2)CC1 ZINC000225474098 497063674 /nfs/dbraw/zinc/06/36/74/497063674.db2.gz CXPSIMFCHVRHFK-UHFFFAOYSA-N 2 2 371.550 3.393 40 0 biogenic,in-vitro FGABLP CC(C)[NH+]1CCC(O)(c2csc(C[N@H+]3CCc4ccccc4C3)n2)CC1 ZINC000225474098 497063680 /nfs/dbraw/zinc/06/36/80/497063680.db2.gz CXPSIMFCHVRHFK-UHFFFAOYSA-N 2 2 371.550 3.393 40 0 biogenic,in-vitro FGABLP c1[nH+]cn2c1CN(Cc1ccc3ccccc3n1)C[C@@H]2C[NH+]1CCCCC1 ZINC000306134106 498740609 /nfs/dbraw/zinc/74/06/09/498740609.db2.gz NDRCEOHGGVDFPH-NRFANRHFSA-N 2 2 361.493 3.474 40 0 FGABLP CCc1[nH+]c2ccccc2n1C[C@H](C)C(=O)N1CCC[C@H](C[NH+](C)C)C1 ZINC000019523268 494447191 /nfs/dbraw/zinc/44/71/91/494447191.db2.gz BUTSSRPTLWDRTJ-DLBZAZTESA-N 2 2 356.514 3.035 40 0 FGABLP Cc1[nH+]c2c(n1C(C)C)CN(Cc1nccs1)CC21CC[NH+](C)CC1 ZINC000306143254 498743645 /nfs/dbraw/zinc/74/36/45/498743645.db2.gz XXCMZFMFFCFUOU-UHFFFAOYSA-N 2 2 359.543 3.208 40 0 FGABLP C[NH+](C)CCCNc1nc(NC[C@@H]2CCCO2)cc(-c2ccccc2)[nH+]1 ZINC000243330378 209366309 /nfs/dbraw/zinc/36/63/09/209366309.db2.gz LOMQBLGGFQCHHD-KRWDZBQOSA-N 2 2 355.486 3.098 40 0 FGABLP CCOC(=O)[C@@]12C[N@H+](CC(C)C)C[C@@H]1C[NH+](Cc1ccc(C)o1)CCC2 ZINC000096055929 209104345 /nfs/dbraw/zinc/10/43/45/209104345.db2.gz QDXFXKYHWVTALY-RXVVDRJESA-N 2 2 362.514 3.321 40 0 FGABLP CCOC(=O)[C@@]12C[N@@H+](CC(C)C)C[C@@H]1C[NH+](Cc1ccc(C)o1)CCC2 ZINC000096055929 209104347 /nfs/dbraw/zinc/10/43/47/209104347.db2.gz QDXFXKYHWVTALY-RXVVDRJESA-N 2 2 362.514 3.321 40 0 FGABLP CCOC(=O)[C@@]12C[NH+](CC(C)C)C[C@@H]1C[N@H+](Cc1ccc(C)o1)CCC2 ZINC000096055929 209104351 /nfs/dbraw/zinc/10/43/51/209104351.db2.gz QDXFXKYHWVTALY-RXVVDRJESA-N 2 2 362.514 3.321 40 0 FGABLP CCOC(=O)[C@@]12C[NH+](CC(C)C)C[C@@H]1C[N@@H+](Cc1ccc(C)o1)CCC2 ZINC000096055929 209104354 /nfs/dbraw/zinc/10/43/54/209104354.db2.gz QDXFXKYHWVTALY-RXVVDRJESA-N 2 2 362.514 3.321 40 0 FGABLP Cc1[nH+]c(C2CCN(C(=O)CCCn3cc[nH+]c3)CC2)c2sccn12 ZINC000019240807 494439126 /nfs/dbraw/zinc/43/91/26/494439126.db2.gz DKVAXVDKCDWPAB-UHFFFAOYSA-N 2 2 357.483 3.087 40 0 FGABLP C[NH+]1CCC([N@H+]2C[C@H]3C[C@H](Cn4c(=O)ccc(-c5cccs5)c43)C2)CC1 ZINC000020503400 494475206 /nfs/dbraw/zinc/47/52/06/494475206.db2.gz QLPKHAWDBPBDEK-JKSUJKDBSA-N 2 2 369.534 3.090 40 0 biogenic,in-vitro FGABLP C[NH+]1CCC([N@@H+]2C[C@H]3C[C@H](Cn4c(=O)ccc(-c5cccs5)c43)C2)CC1 ZINC000020503400 494475207 /nfs/dbraw/zinc/47/52/07/494475207.db2.gz QLPKHAWDBPBDEK-JKSUJKDBSA-N 2 2 369.534 3.090 40 0 biogenic,in-vitro FGABLP COc1ccc2[nH]c(C[N@@H+]3CCO[C@H](c4cc(N)cc(C)[nH+]4)C3)cc2c1 ZINC000257247627 497394660 /nfs/dbraw/zinc/39/46/60/497394660.db2.gz IZVIVAWDPIWMDH-FQEVSTJZSA-N 2 2 352.438 3.036 40 0 FGABLP COc1ccc2[nH]c(C[N@H+]3CCO[C@H](c4cc(N)cc(C)[nH+]4)C3)cc2c1 ZINC000257247627 497394666 /nfs/dbraw/zinc/39/46/66/497394666.db2.gz IZVIVAWDPIWMDH-FQEVSTJZSA-N 2 2 352.438 3.036 40 0 FGABLP c1[nH+]cn2c1CN(Cc1ccc3ccccc3n1)C[C@H]2C[NH+]1CCCCC1 ZINC000306134107 210054188 /nfs/dbraw/zinc/05/41/88/210054188.db2.gz NDRCEOHGGVDFPH-OAQYLSRUSA-N 2 2 361.493 3.474 40 0 FGABLP COc1cccc(C[N@H+]2C[C@H](c3cccc(OC)c3)[C@H]3[NH2+]CCC[C@H]32)c1 ZINC000019565495 211232593 /nfs/dbraw/zinc/23/25/93/211232593.db2.gz KQEXJLCZOBKVHH-YPAWHYETSA-N 2 2 352.478 3.424 40 0 FGABLP COc1cccc(C[N@@H+]2C[C@H](c3cccc(OC)c3)[C@H]3[NH2+]CCC[C@H]32)c1 ZINC000019565495 211232596 /nfs/dbraw/zinc/23/25/96/211232596.db2.gz KQEXJLCZOBKVHH-YPAWHYETSA-N 2 2 352.478 3.424 40 0 FGABLP COc1ccc(C[N@@H+]2CCC[C@H]2c2nc(C)ncc2C[NH+](C)C)c(F)c1 ZINC000257293329 533559582 /nfs/dbraw/zinc/55/95/82/533559582.db2.gz QPAGJHUZACQFAL-IBGZPJMESA-N 2 2 358.461 3.331 40 0 FGABLP COc1ccc(C[N@H+]2CCC[C@H]2c2nc(C)ncc2C[NH+](C)C)c(F)c1 ZINC000257293329 533559586 /nfs/dbraw/zinc/55/95/86/533559586.db2.gz QPAGJHUZACQFAL-IBGZPJMESA-N 2 2 358.461 3.331 40 0 FGABLP CSc1cccc(Nc2cc(C3CC3)[nH+]c(NCCC[NH+](C)C)n2)c1 ZINC000328980381 210129292 /nfs/dbraw/zinc/12/92/92/210129292.db2.gz GMALACJWELXVQX-UHFFFAOYSA-N 2 2 357.527 3.027 40 0 FGABLP COc1ccccc1-c1c[nH+]c2n1C[C@@]1(CC[N@H+](Cc3cccnc3)C1)C2 ZINC000306143667 210057304 /nfs/dbraw/zinc/05/73/04/210057304.db2.gz YIMBSWNVORRCCR-QFIPXVFZSA-N 2 2 360.461 3.402 40 0 FGABLP COc1ccccc1-c1c[nH+]c2n1C[C@@]1(CC[N@@H+](Cc3cccnc3)C1)C2 ZINC000306143667 210057308 /nfs/dbraw/zinc/05/73/08/210057308.db2.gz YIMBSWNVORRCCR-QFIPXVFZSA-N 2 2 360.461 3.402 40 0 FGABLP C[NH+](C)CCNc1nc(N2Cc3ccccc3CC2(C)C)cc(C2CC2)[nH+]1 ZINC000328993033 132372416 /nfs/dbraw/zinc/37/24/16/132372416.db2.gz IXTTWGXCTAAARV-UHFFFAOYSA-N 2 2 365.525 3.091 40 0 FGABLP COc1ccc(C[N@H+]2C[C@H]3c4ccccc4[C@H]([NH+]4CCOCC4)[C@H]3C2)cc1 ZINC000096058346 222006617 /nfs/dbraw/zinc/00/66/17/222006617.db2.gz XUWJYAMPVSLSAJ-VABKMULXSA-N 2 2 364.489 3.298 40 0 FGABLP COc1ccc(C[N@@H+]2C[C@H]3c4ccccc4[C@H]([NH+]4CCOCC4)[C@H]3C2)cc1 ZINC000096058346 222006619 /nfs/dbraw/zinc/00/66/19/222006619.db2.gz XUWJYAMPVSLSAJ-VABKMULXSA-N 2 2 364.489 3.298 40 0 FGABLP O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000038831770 494117699 /nfs/dbraw/zinc/11/76/99/494117699.db2.gz NBUXRUJGQMCTMY-UHFFFAOYSA-N 2 2 374.488 3.457 40 0 FGABLP Nc1cc(-c2c[nH]nc2[C@H]2CCC[N@H+](CCOc3ccccc3)C2)cc[nH+]1 ZINC000072356491 494157087 /nfs/dbraw/zinc/15/70/87/494157087.db2.gz AYZJNTQAPJOIFJ-KRWDZBQOSA-N 2 2 363.465 3.312 40 0 FGABLP Nc1cc(-c2c[nH]nc2[C@H]2CCC[N@@H+](CCOc3ccccc3)C2)cc[nH+]1 ZINC000072356491 494157090 /nfs/dbraw/zinc/15/70/90/494157090.db2.gz AYZJNTQAPJOIFJ-KRWDZBQOSA-N 2 2 363.465 3.312 40 0 FGABLP CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000044908387 494388286 /nfs/dbraw/zinc/38/82/86/494388286.db2.gz KZRLZMKQDDRMMC-HXUWFJFHSA-N 2 2 354.498 3.316 40 0 FGABLP CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000044908387 494388289 /nfs/dbraw/zinc/38/82/89/494388289.db2.gz KZRLZMKQDDRMMC-HXUWFJFHSA-N 2 2 354.498 3.316 40 0 FGABLP COc1ccc(C[N@@H+]2CC[C@]3(C)[NH2+]CCCCC[C@H]23)cc1Cn1cccn1 ZINC000019713413 494456244 /nfs/dbraw/zinc/45/62/44/494456244.db2.gz RAHLTIRLHWSZSX-VXKWHMMOSA-N 2 2 368.525 3.437 40 0 FGABLP COc1ccc(C[N@H+]2CC[C@]3(C)[NH2+]CCCCC[C@H]23)cc1Cn1cccn1 ZINC000019713413 494456247 /nfs/dbraw/zinc/45/62/47/494456247.db2.gz RAHLTIRLHWSZSX-VXKWHMMOSA-N 2 2 368.525 3.437 40 0 FGABLP C[NH+](C)CC[C@H]1CN(C(=O)CCc2ccc(Cl)cc2)Cc2c[nH+]cn21 ZINC000248091057 496954000 /nfs/dbraw/zinc/95/40/00/496954000.db2.gz FPRDNLHDQGVFPD-KRWDZBQOSA-N 2 2 360.889 3.004 40 0 FGABLP c1coc(C[N@@H+]2C[C@@H]3C[NH+]([C@H]4CCOC4)CC[C@]3(c3ccccc3)C2)c1 ZINC000253595867 497344235 /nfs/dbraw/zinc/34/42/35/497344235.db2.gz JYWYAYBTUYRDFJ-RZUBCFFCSA-N 2 2 352.478 3.144 40 0 FGABLP c1coc(C[N@H+]2C[C@@H]3C[NH+]([C@H]4CCOC4)CC[C@]3(c3ccccc3)C2)c1 ZINC000253595867 497344237 /nfs/dbraw/zinc/34/42/37/497344237.db2.gz JYWYAYBTUYRDFJ-RZUBCFFCSA-N 2 2 352.478 3.144 40 0 FGABLP c1coc(C[NH+]2C[C@@H]3C[N@@H+]([C@H]4CCOC4)CC[C@]3(c3ccccc3)C2)c1 ZINC000253595867 497344241 /nfs/dbraw/zinc/34/42/41/497344241.db2.gz JYWYAYBTUYRDFJ-RZUBCFFCSA-N 2 2 352.478 3.144 40 0 FGABLP c1coc(C[NH+]2C[C@@H]3C[N@H+]([C@H]4CCOC4)CC[C@]3(c3ccccc3)C2)c1 ZINC000253595867 497344244 /nfs/dbraw/zinc/34/42/44/497344244.db2.gz JYWYAYBTUYRDFJ-RZUBCFFCSA-N 2 2 352.478 3.144 40 0 FGABLP CC[C@@H](C[NH+]1CCOCC1)n1c[nH+]cc1-c1ccc2c(c1)CCN2CC ZINC000019719384 211252292 /nfs/dbraw/zinc/25/22/92/211252292.db2.gz GYKSBAMJKBDTLL-IBGZPJMESA-N 2 2 354.498 3.216 40 0 FGABLP CC[NH+](CC)CCS(=O)(=O)CCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000001591900 210360369 /nfs/dbraw/zinc/36/03/69/210360369.db2.gz OPYHZRPVFUVNMS-UHFFFAOYSA-N 2 2 369.918 3.057 40 0 FGABLP c1csc(C[N@@H+]2CCC[C@@]3(C2)COCC[NH+](Cc2ccccn2)C3)c1 ZINC000096229316 222091427 /nfs/dbraw/zinc/09/14/27/222091427.db2.gz GKWXDZYIMJVOSE-FQEVSTJZSA-N 2 2 357.523 3.258 40 0 FGABLP c1csc(C[N@H+]2CCC[C@@]3(C2)COCC[NH+](Cc2ccccn2)C3)c1 ZINC000096229316 222091429 /nfs/dbraw/zinc/09/14/29/222091429.db2.gz GKWXDZYIMJVOSE-FQEVSTJZSA-N 2 2 357.523 3.258 40 0 FGABLP c1csc(C[NH+]2CCC[C@@]3(C2)COCC[N@H+](Cc2ccccn2)C3)c1 ZINC000096229316 222091431 /nfs/dbraw/zinc/09/14/31/222091431.db2.gz GKWXDZYIMJVOSE-FQEVSTJZSA-N 2 2 357.523 3.258 40 0 FGABLP c1csc(C[NH+]2CCC[C@@]3(C2)COCC[N@@H+](Cc2ccccn2)C3)c1 ZINC000096229316 222091433 /nfs/dbraw/zinc/09/14/33/222091433.db2.gz GKWXDZYIMJVOSE-FQEVSTJZSA-N 2 2 357.523 3.258 40 0 FGABLP c1cc(C[N@@H+]2CCC[C@H]2c2nnc3n2CC[NH2+]C3)cc(OC2CCCC2)c1 ZINC000019767400 494460032 /nfs/dbraw/zinc/46/00/32/494460032.db2.gz OCZZOULOUVUZIZ-IBGZPJMESA-N 2 2 367.497 3.040 40 0 FGABLP c1cc(C[N@H+]2CCC[C@H]2c2nnc3n2CC[NH2+]C3)cc(OC2CCCC2)c1 ZINC000019767400 494460036 /nfs/dbraw/zinc/46/00/36/494460036.db2.gz OCZZOULOUVUZIZ-IBGZPJMESA-N 2 2 367.497 3.040 40 0 FGABLP Cc1cc(CC[C@@H]2CCC[N@@H+]2Cc2ccc(S(C)(=O)=O)cc2)cc[nH+]1 ZINC000257322378 223065966 /nfs/dbraw/zinc/06/59/66/223065966.db2.gz WFSVHGBAUBFGAP-IBGZPJMESA-N 2 2 358.507 3.391 40 0 FGABLP Cc1cc(CC[C@@H]2CCC[N@H+]2Cc2ccc(S(C)(=O)=O)cc2)cc[nH+]1 ZINC000257322378 223065969 /nfs/dbraw/zinc/06/59/69/223065969.db2.gz WFSVHGBAUBFGAP-IBGZPJMESA-N 2 2 358.507 3.391 40 0 FGABLP COc1c(C[N@@H+]2CCC[C@@H](Cc3[nH]c4ccccc4[nH+]3)C2)c(C)nn1C ZINC000019654486 211243617 /nfs/dbraw/zinc/24/36/17/211243617.db2.gz BTGDAQSNBSBHKP-HNNXBMFYSA-N 2 2 353.470 3.068 40 0 FGABLP COc1c(C[N@H+]2CCC[C@@H](Cc3[nH]c4ccccc4[nH+]3)C2)c(C)nn1C ZINC000019654486 211243620 /nfs/dbraw/zinc/24/36/20/211243620.db2.gz BTGDAQSNBSBHKP-HNNXBMFYSA-N 2 2 353.470 3.068 40 0 FGABLP Cc1nc2ccccc2n1Cc1cc(NC[C@H]2CCC[N@@H+](C)C2)nc(C)[nH+]1 ZINC000019655897 211242833 /nfs/dbraw/zinc/24/28/33/211242833.db2.gz DHLRTRNMQMIEKP-QGZVFWFLSA-N 2 2 364.497 3.245 40 0 FGABLP Cc1nc2ccccc2n1Cc1cc(NC[C@H]2CCC[N@H+](C)C2)nc(C)[nH+]1 ZINC000019655897 211242837 /nfs/dbraw/zinc/24/28/37/211242837.db2.gz DHLRTRNMQMIEKP-QGZVFWFLSA-N 2 2 364.497 3.245 40 0 FGABLP c1ccc(OCC[N@@H+]2CCC[C@@]3(CC[NH+](Cc4ccccn4)C3)C2)cc1 ZINC000096216294 222081643 /nfs/dbraw/zinc/08/16/43/222081643.db2.gz ZPLOXTOUWXKXDZ-JOCHJYFZSA-N 2 2 351.494 3.449 40 0 FGABLP c1ccc(OCC[N@H+]2CCC[C@@]3(CC[NH+](Cc4ccccn4)C3)C2)cc1 ZINC000096216294 222081646 /nfs/dbraw/zinc/08/16/46/222081646.db2.gz ZPLOXTOUWXKXDZ-JOCHJYFZSA-N 2 2 351.494 3.449 40 0 FGABLP c1ccc(OCC[NH+]2CCC[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)cc1 ZINC000096216294 222081650 /nfs/dbraw/zinc/08/16/50/222081650.db2.gz ZPLOXTOUWXKXDZ-JOCHJYFZSA-N 2 2 351.494 3.449 40 0 FGABLP c1ccc(OCC[NH+]2CCC[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)cc1 ZINC000096216294 222081651 /nfs/dbraw/zinc/08/16/51/222081651.db2.gz ZPLOXTOUWXKXDZ-JOCHJYFZSA-N 2 2 351.494 3.449 40 0 FGABLP CC[C@@H](C[NH+]1CCOCC1)n1c[nH+]cc1-c1ccc2c(c1)CCCN2C ZINC000019720032 494459174 /nfs/dbraw/zinc/45/91/74/494459174.db2.gz QMZBLQZMPXCDKJ-IBGZPJMESA-N 2 2 354.498 3.216 40 0 FGABLP C[NH+](C)CC[C@H]1CN(C(=O)Cc2csc3ccccc23)Cc2c[nH+]cn21 ZINC000248106489 496953952 /nfs/dbraw/zinc/95/39/52/496953952.db2.gz IVUDVIINJFEIQJ-INIZCTEOSA-N 2 2 368.506 3.176 40 0 FGABLP C[NH+](C)CC[C@@H]1CN(C(=O)c2cc3cc(Cl)ccc3o2)Cc2c[nH+]cn21 ZINC000248123783 496957088 /nfs/dbraw/zinc/95/70/88/496957088.db2.gz NWUDJNZVGGCVLU-OAHLLOKOSA-N 2 2 372.856 3.432 40 0 FGABLP Cc1ccc2[nH+]cc(-c3cccc(C[C@@H]4COC5(C4)CC[NH2+]CC5)n3)n2c1 ZINC000585263071 507581905 /nfs/dbraw/zinc/58/19/05/507581905.db2.gz INBYOMLXXVGYKB-KRWDZBQOSA-N 2 2 362.477 3.406 40 0 FGABLP CCc1[nH]c(C[N@@H+]2CC[C@@H]3[C@H](C2)[C@@H](c2ccccc2)CN3C(C)=O)c(C)[nH+]1 ZINC000257258414 529723557 /nfs/dbraw/zinc/72/35/57/529723557.db2.gz KTTHYLDXIZDKFO-SFHLNBCPSA-N 2 2 366.509 3.117 40 0 FGABLP CCc1[nH]c(C[N@H+]2CC[C@@H]3[C@H](C2)[C@@H](c2ccccc2)CN3C(C)=O)c(C)[nH+]1 ZINC000257258414 529723558 /nfs/dbraw/zinc/72/35/58/529723558.db2.gz KTTHYLDXIZDKFO-SFHLNBCPSA-N 2 2 366.509 3.117 40 0 FGABLP CCc1[nH+]c2ccccc2n1C[C@@H](C)C(=O)N1CCC[C@H](C[NH+](C)C)C1 ZINC000019523267 211227730 /nfs/dbraw/zinc/22/77/30/211227730.db2.gz BUTSSRPTLWDRTJ-IAGOWNOFSA-N 2 2 356.514 3.035 40 0 FGABLP Cc1[nH+]ccn1Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000038850811 494118844 /nfs/dbraw/zinc/11/88/44/494118844.db2.gz FNIASIMFUAZJSF-UHFFFAOYSA-N 2 2 374.488 3.198 40 0 FGABLP COc1ccc(C[N@@H+]2CCc3nc([C@H]4CCCC[NH+]4C)ncc3C2)cc1 ZINC000019589018 211237091 /nfs/dbraw/zinc/23/70/91/211237091.db2.gz ANCXNGVSIKROGV-HXUWFJFHSA-N 2 2 352.482 3.200 40 0 FGABLP COc1ccc(C[N@H+]2CCc3nc([C@H]4CCCC[NH+]4C)ncc3C2)cc1 ZINC000019589018 211237096 /nfs/dbraw/zinc/23/70/96/211237096.db2.gz ANCXNGVSIKROGV-HXUWFJFHSA-N 2 2 352.482 3.200 40 0 FGABLP COc1ccc(C[NH+]2CCc3nc([C@H]4CCCC[N@@H+]4C)ncc3C2)cc1 ZINC000019589018 211237100 /nfs/dbraw/zinc/23/71/00/211237100.db2.gz ANCXNGVSIKROGV-HXUWFJFHSA-N 2 2 352.482 3.200 40 0 FGABLP COc1ccc(C[NH+]2CCc3nc([C@H]4CCCC[N@H+]4C)ncc3C2)cc1 ZINC000019589018 211237108 /nfs/dbraw/zinc/23/71/08/211237108.db2.gz ANCXNGVSIKROGV-HXUWFJFHSA-N 2 2 352.482 3.200 40 0 FGABLP CC[NH+](CC)CCC[NH2+]CC(=O)Nc1ccc(C)c(Br)c1 ZINC000026440604 494826200 /nfs/dbraw/zinc/82/62/00/494826200.db2.gz JHRWFZOVDCFBBX-UHFFFAOYSA-N 2 2 356.308 3.018 40 0 FGABLP Cc1ccc(C[NH+]2CCC3(CC2)C[N@H+](Cc2cccnc2)CCO3)s1 ZINC000096048934 494999805 /nfs/dbraw/zinc/99/98/05/494999805.db2.gz UKECPLVZHYIJNP-UHFFFAOYSA-N 2 2 357.523 3.319 40 0 FGABLP Cc1ccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2cccnc2)CCO3)s1 ZINC000096048934 494999810 /nfs/dbraw/zinc/99/98/10/494999810.db2.gz UKECPLVZHYIJNP-UHFFFAOYSA-N 2 2 357.523 3.319 40 0 FGABLP Cc1ccc2[nH+]cc(C[NH+]3CCC4(CC(NC(=O)OCCF)C4)CC3)n2c1 ZINC000585102944 507567816 /nfs/dbraw/zinc/56/78/16/507567816.db2.gz JQUOXZWENPOQRQ-UHFFFAOYSA-N 2 2 374.460 3.083 40 0 FGABLP C[N@@H+](Cc1cccnc1)C[C@@H]1CCC2(C[NH+](Cc3ccsc3)C2)OC1 ZINC000585103244 507568190 /nfs/dbraw/zinc/56/81/90/507568190.db2.gz AJWQFMKKRHWCKN-SFHVURJKSA-N 2 2 357.523 3.256 40 0 FGABLP C[N@H+](Cc1cccnc1)C[C@@H]1CCC2(C[NH+](Cc3ccsc3)C2)OC1 ZINC000585103244 507568197 /nfs/dbraw/zinc/56/81/97/507568197.db2.gz AJWQFMKKRHWCKN-SFHVURJKSA-N 2 2 357.523 3.256 40 0 FGABLP C[N@@H+](Cc1cccnc1)C[C@@H]1CCC2(C[NH+](Cc3ccc(F)cc3)C2)OC1 ZINC000585105182 507570282 /nfs/dbraw/zinc/57/02/82/507570282.db2.gz PSKQGAPDTNMETN-FQEVSTJZSA-N 2 2 369.484 3.334 40 0 FGABLP C[N@H+](Cc1cccnc1)C[C@@H]1CCC2(C[NH+](Cc3ccc(F)cc3)C2)OC1 ZINC000585105182 507570284 /nfs/dbraw/zinc/57/02/84/507570284.db2.gz PSKQGAPDTNMETN-FQEVSTJZSA-N 2 2 369.484 3.334 40 0 FGABLP Cc1[nH+]c([C@]2(C)CCCN(C(=O)CC[NH+]3CCCCC3)C2)c2sccn12 ZINC000257336148 534616152 /nfs/dbraw/zinc/61/61/52/534616152.db2.gz YNKBWELGPWBCQL-HXUWFJFHSA-N 2 2 374.554 3.460 40 0 FGABLP OCC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cc(Cl)cc(Cl)c1 ZINC000624289069 571145707 /nfs/dbraw/zinc/14/57/07/571145707.db2.gz DBOAYYGZVBRDJX-MSOLQXFVSA-N 2 2 373.324 3.260 40 0 FGABLP C[N@H+](Cc1ccc(Cl)cc1)[C@H]1[C@H]([NH3+])CC[C@@H](Oc2ccccc2)[C@@H]1O ZINC000257215630 529985504 /nfs/dbraw/zinc/98/55/04/529985504.db2.gz CQYKSUJENIZEKH-ZRNYENFQSA-N 2 2 360.885 3.070 40 0 FGABLP C[N@@H+](Cc1ccc(Cl)cc1)[C@H]1[C@H]([NH3+])CC[C@@H](Oc2ccccc2)[C@@H]1O ZINC000257215630 529985506 /nfs/dbraw/zinc/98/55/06/529985506.db2.gz CQYKSUJENIZEKH-ZRNYENFQSA-N 2 2 360.885 3.070 40 0 FGABLP Cc1nc(C[N@@H+]2CCC[C@@]3(C[NH+](Cc4cccnc4)CCO3)CC2)cs1 ZINC000306126307 210049127 /nfs/dbraw/zinc/04/91/27/210049127.db2.gz DSDBRIRTDUBMFI-FQEVSTJZSA-N 2 2 372.538 3.104 40 0 FGABLP Cc1nc(C[N@H+]2CCC[C@@]3(C[NH+](Cc4cccnc4)CCO3)CC2)cs1 ZINC000306126307 210049130 /nfs/dbraw/zinc/04/91/30/210049130.db2.gz DSDBRIRTDUBMFI-FQEVSTJZSA-N 2 2 372.538 3.104 40 0 FGABLP Cc1nc(C[NH+]2CCC[C@@]3(C[N@H+](Cc4cccnc4)CCO3)CC2)cs1 ZINC000306126307 210049134 /nfs/dbraw/zinc/04/91/34/210049134.db2.gz DSDBRIRTDUBMFI-FQEVSTJZSA-N 2 2 372.538 3.104 40 0 FGABLP Cc1nc(C[NH+]2CCC[C@@]3(C[N@@H+](Cc4cccnc4)CCO3)CC2)cs1 ZINC000306126307 210049136 /nfs/dbraw/zinc/04/91/36/210049136.db2.gz DSDBRIRTDUBMFI-FQEVSTJZSA-N 2 2 372.538 3.104 40 0 FGABLP COc1ccc(C[NH+]2CCC3(C[C@H](Nc4cccc[nH+]4)CO3)CC2)cc1 ZINC000096221285 222085647 /nfs/dbraw/zinc/08/56/47/222085647.db2.gz IDSZQQDTGVSHHW-SFHVURJKSA-N 2 2 353.466 3.326 40 0 FGABLP CC(C)c1[nH+]ccn1CCC(=O)N1CCC[C@@H]1c1cc[nH+]c(N(C)C)c1 ZINC000257331564 528368760 /nfs/dbraw/zinc/36/87/60/528368760.db2.gz XTJJOPKYVSKBHL-QGZVFWFLSA-N 2 2 355.486 3.221 40 0 FGABLP C[N@H+](Cc1ccccc1)[C@H]1[C@H]([NH3+])CC[C@@H](Oc2ccccc2Cl)[C@@H]1O ZINC000257269997 530001042 /nfs/dbraw/zinc/00/10/42/530001042.db2.gz MSINDXIYNLCCEB-LMCOJAPRSA-N 2 2 360.885 3.070 40 0 FGABLP C[N@@H+](Cc1ccccc1)[C@H]1[C@H]([NH3+])CC[C@@H](Oc2ccccc2Cl)[C@@H]1O ZINC000257269997 530001045 /nfs/dbraw/zinc/00/10/45/530001045.db2.gz MSINDXIYNLCCEB-LMCOJAPRSA-N 2 2 360.885 3.070 40 0 FGABLP COc1ccc(-c2c[nH+]c3n2C[C@H]2C[N@@H+](Cc4cccnc4)C[C@H]2C3)cc1 ZINC000306142756 210057284 /nfs/dbraw/zinc/05/72/84/210057284.db2.gz XIJXTRFPPCNVSN-RTBURBONSA-N 2 2 360.461 3.258 40 0 FGABLP COc1ccc(-c2c[nH+]c3n2C[C@H]2C[N@H+](Cc4cccnc4)C[C@H]2C3)cc1 ZINC000306142756 210057290 /nfs/dbraw/zinc/05/72/90/210057290.db2.gz XIJXTRFPPCNVSN-RTBURBONSA-N 2 2 360.461 3.258 40 0 FGABLP COc1cccc(F)c1C[N@@H+]1CCC[C@H]1c1nc(C)ncc1C[NH+](C)C ZINC000257300154 223056825 /nfs/dbraw/zinc/05/68/25/223056825.db2.gz RTDJQJJFPYOHIP-SFHVURJKSA-N 2 2 358.461 3.331 40 0 FGABLP COc1cccc(F)c1C[N@H+]1CCC[C@H]1c1nc(C)ncc1C[NH+](C)C ZINC000257300154 223056826 /nfs/dbraw/zinc/05/68/26/223056826.db2.gz RTDJQJJFPYOHIP-SFHVURJKSA-N 2 2 358.461 3.331 40 0 FGABLP C[NH+](C)C[C@@H]1CN(C(=O)c2cc3cc(Cl)ccc3o2)Cc2c[nH+]cn21 ZINC000248120877 496956455 /nfs/dbraw/zinc/95/64/55/496956455.db2.gz NAEJXMMVDFNIBM-OAHLLOKOSA-N 2 2 358.829 3.041 40 0 FGABLP CSc1ccccc1Nc1cc(C2CC2)[nH+]c(NCCC[NH+](C)C)n1 ZINC000328967233 533044474 /nfs/dbraw/zinc/04/44/74/533044474.db2.gz CRQAFXMEWNIXBP-UHFFFAOYSA-N 2 2 357.527 3.027 40 0 FGABLP CNc1cc([C@H]2CCCN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)cc[nH+]1 ZINC000257225064 533055193 /nfs/dbraw/zinc/05/51/93/533055193.db2.gz FERHUDWIFPXEMW-IBGZPJMESA-N 2 2 352.482 3.205 40 0 FGABLP COc1ccc2[nH]c([C@H]3CC[N@H+](Cc4ccc5c(c4)OCO5)C3)[nH+]c2c1 ZINC000035446777 494077832 /nfs/dbraw/zinc/07/78/32/494077832.db2.gz YXFJSQFHWDDYCH-AWEZNQCLSA-N 2 2 351.406 3.290 40 0 biogenic,in-vitro FGABLP COc1ccc2[nH]c([C@H]3CC[N@@H+](Cc4ccc5c(c4)OCO5)C3)[nH+]c2c1 ZINC000035446777 494077834 /nfs/dbraw/zinc/07/78/34/494077834.db2.gz YXFJSQFHWDDYCH-AWEZNQCLSA-N 2 2 351.406 3.290 40 0 biogenic,in-vitro FGABLP Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000044932851 494389447 /nfs/dbraw/zinc/38/94/47/494389447.db2.gz ZSPYQCILEYPRBO-UHFFFAOYSA-N 2 2 371.444 3.356 40 0 FGABLP C[N@@H+](Cc1cccnc1)C[C@H]1CCC2(C[NH+](Cc3ccsc3)C2)OC1 ZINC000585103243 507567451 /nfs/dbraw/zinc/56/74/51/507567451.db2.gz AJWQFMKKRHWCKN-GOSISDBHSA-N 2 2 357.523 3.256 40 0 FGABLP C[N@H+](Cc1cccnc1)C[C@H]1CCC2(C[NH+](Cc3ccsc3)C2)OC1 ZINC000585103243 507567462 /nfs/dbraw/zinc/56/74/62/507567462.db2.gz AJWQFMKKRHWCKN-GOSISDBHSA-N 2 2 357.523 3.256 40 0 FGABLP CC(=O)N1CCC[C@H]([NH2+]CCCn2cc[nH+]c2)[C@@H]1Cc1cccc(Cl)c1 ZINC000585285399 507584359 /nfs/dbraw/zinc/58/43/59/507584359.db2.gz JLJPUYICNJJVLD-PMACEKPBSA-N 2 2 374.916 3.138 40 0 FGABLP COc1cc(C[N@@H+]2CCC[C@@H]2c2nc(C)ncc2C[NH+](C)C)ccc1F ZINC000257241812 533802124 /nfs/dbraw/zinc/80/21/24/533802124.db2.gz HZSFPPZGVUKXAQ-GOSISDBHSA-N 2 2 358.461 3.331 40 0 FGABLP COc1cc(C[N@H+]2CCC[C@@H]2c2nc(C)ncc2C[NH+](C)C)ccc1F ZINC000257241812 533802134 /nfs/dbraw/zinc/80/21/34/533802134.db2.gz HZSFPPZGVUKXAQ-GOSISDBHSA-N 2 2 358.461 3.331 40 0 FGABLP CC[NH+](CC)CC[C@H]1CN(C(=O)/C=C/c2cccs2)Cc2c[nH+]cn21 ZINC000306142524 528167395 /nfs/dbraw/zinc/16/73/95/528167395.db2.gz XBUYXBGKSYXXKA-WAVCKPEOSA-N 2 2 358.511 3.273 40 0 FGABLP Cc1cccc(Nc2cc(C)[nH+]c([C@H]3CN(C(=O)C(C)C)CCO3)c2)[nH+]1 ZINC000257240717 223033775 /nfs/dbraw/zinc/03/37/75/223033775.db2.gz HUUXBIUFIYKKIW-GOSISDBHSA-N 2 2 354.454 3.393 40 0 FGABLP Cc1[nH+]cc(-c2nccnc2CC2CC[NH+](Cc3cncs3)CC2)n1C ZINC000257247234 223036342 /nfs/dbraw/zinc/03/63/42/223036342.db2.gz IYCHYQARLQJQFM-UHFFFAOYSA-N 2 2 368.510 3.097 40 0 FGABLP Cc1[nH+]ccn1Cc1ccccc1C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000019288231 220246178 /nfs/dbraw/zinc/24/61/78/220246178.db2.gz DXBPJCRAKIFLDG-JOCHJYFZSA-N 2 2 374.488 3.369 40 0 FGABLP Cc1[nH+]ccn1Cc1ccccc1C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000019288231 220246181 /nfs/dbraw/zinc/24/61/81/220246181.db2.gz DXBPJCRAKIFLDG-JOCHJYFZSA-N 2 2 374.488 3.369 40 0 FGABLP C[C@H]1CCCN(c2ncc(-c3c[nH+]cn3CCC[NH+]3CCCCC3)cn2)C1 ZINC000019719997 494458793 /nfs/dbraw/zinc/45/87/93/494458793.db2.gz OAGUOBOEBKAIFU-SFHVURJKSA-N 2 2 368.529 3.452 40 0 FGABLP C[NH+]1CCC(Oc2ccc(CNC(=S)Nc3cc[nH+]cc3)cc2)CC1 ZINC000225775362 497074861 /nfs/dbraw/zinc/07/48/61/497074861.db2.gz ZQKIQBTWXOQPGA-UHFFFAOYSA-N 2 2 356.495 3.041 40 0 FGABLP CCOc1ccc(C[N@@H+]2CCc3nc([C@@H]4CCC[NH+](C)C4)ncc3C2)cc1 ZINC000019533364 220268845 /nfs/dbraw/zinc/26/88/45/220268845.db2.gz CZLCWJHWNNONNS-GOSISDBHSA-N 2 2 366.509 3.243 40 0 FGABLP CCOc1ccc(C[N@H+]2CCc3nc([C@@H]4CCC[NH+](C)C4)ncc3C2)cc1 ZINC000019533364 220268848 /nfs/dbraw/zinc/26/88/48/220268848.db2.gz CZLCWJHWNNONNS-GOSISDBHSA-N 2 2 366.509 3.243 40 0 FGABLP CCOc1ccc(C[NH+]2CCc3nc([C@@H]4CCC[N@@H+](C)C4)ncc3C2)cc1 ZINC000019533364 220268857 /nfs/dbraw/zinc/26/88/57/220268857.db2.gz CZLCWJHWNNONNS-GOSISDBHSA-N 2 2 366.509 3.243 40 0 FGABLP CN1CC[NH+](CCNc2c3ccc(Cl)cc3[nH+]c3c2CCCC3)CC1 ZINC000142668923 495517819 /nfs/dbraw/zinc/51/78/19/495517819.db2.gz AKZZUONQDIGIBX-UHFFFAOYSA-N 2 2 358.917 3.426 40 0 in-vitro FGABLP Cc1cc(C[N@H+]2Cc3cccn3C[C@H](CCNc3cccc[nH+]3)C2)no1 ZINC000585095471 507566752 /nfs/dbraw/zinc/56/67/52/507566752.db2.gz SFJTVFVWUYGHLM-QGZVFWFLSA-N 2 2 351.454 3.314 40 0 FGABLP Cc1cc(C[N@@H+]2Cc3cccn3C[C@H](CCNc3cccc[nH+]3)C2)no1 ZINC000585095471 507566755 /nfs/dbraw/zinc/56/67/55/507566755.db2.gz SFJTVFVWUYGHLM-QGZVFWFLSA-N 2 2 351.454 3.314 40 0 FGABLP Cc1cc(C[N@H+]2Cc3cccn3C[C@H](CCNc3cccc[nH+]3)C2)n(C)n1 ZINC000585095557 507566934 /nfs/dbraw/zinc/56/69/34/507566934.db2.gz WXQZKBNTRJAADY-GOSISDBHSA-N 2 2 364.497 3.059 40 0 FGABLP Cc1cc(C[N@@H+]2Cc3cccn3C[C@H](CCNc3cccc[nH+]3)C2)n(C)n1 ZINC000585095557 507566938 /nfs/dbraw/zinc/56/69/38/507566938.db2.gz WXQZKBNTRJAADY-GOSISDBHSA-N 2 2 364.497 3.059 40 0 FGABLP C[N@H+](CCc1ccccc1)[C@H]1[C@H]([NH3+])CC[C@@H](Oc2ccccc2Cl)[C@@H]1O ZINC000257329932 529934586 /nfs/dbraw/zinc/93/45/86/529934586.db2.gz XMCAZMVGXFDCOW-PBASOCQRSA-N 2 2 374.912 3.113 40 0 FGABLP C[N@@H+](CCc1ccccc1)[C@H]1[C@H]([NH3+])CC[C@@H](Oc2ccccc2Cl)[C@@H]1O ZINC000257329932 529934587 /nfs/dbraw/zinc/93/45/87/529934587.db2.gz XMCAZMVGXFDCOW-PBASOCQRSA-N 2 2 374.912 3.113 40 0 FGABLP Clc1ccc(C[N@@H+]2CCC[C@@H](c3cncc(-n4cc[nH+]c4)n3)C2)nc1 ZINC000257341613 223071738 /nfs/dbraw/zinc/07/17/38/223071738.db2.gz ZLBKWHVLUYNFRM-CQSZACIVSA-N 2 2 354.845 3.090 40 0 FGABLP Clc1ccc(C[N@H+]2CCC[C@@H](c3cncc(-n4cc[nH+]c4)n3)C2)nc1 ZINC000257341613 223071742 /nfs/dbraw/zinc/07/17/42/223071742.db2.gz ZLBKWHVLUYNFRM-CQSZACIVSA-N 2 2 354.845 3.090 40 0 FGABLP COc1ccc2[nH]c(C[NH+]3CCC([N@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)cc2c1 ZINC000019497376 220264553 /nfs/dbraw/zinc/26/45/53/220264553.db2.gz QXJUVXWLNPJYJH-IYBDPMFKSA-N 2 2 357.498 3.250 40 0 FGABLP COc1ccc2[nH]c(C[NH+]3CCC([N@@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)cc2c1 ZINC000019497376 220264558 /nfs/dbraw/zinc/26/45/58/220264558.db2.gz QXJUVXWLNPJYJH-IYBDPMFKSA-N 2 2 357.498 3.250 40 0 FGABLP CCc1[nH+]c2ccccc2n1[C@H](C)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000019666274 220285734 /nfs/dbraw/zinc/28/57/34/220285734.db2.gz FEKOCYUMHYXNHY-MRXNPFEDSA-N 2 2 356.514 3.350 40 0 FGABLP c1ccc(N2CCC[C@@]3(CC[N@@H+](Cc4ccc5c(c4)OCO5)C3)C2)[nH+]c1 ZINC000096216664 132222630 /nfs/dbraw/zinc/22/26/30/132222630.db2.gz FBDZKNIKHSGIFJ-NRFANRHFSA-N 2 2 351.450 3.303 40 0 FGABLP c1ccc(N2CCC[C@@]3(CC[N@H+](Cc4ccc5c(c4)OCO5)C3)C2)[nH+]c1 ZINC000096216664 132222631 /nfs/dbraw/zinc/22/26/31/132222631.db2.gz FBDZKNIKHSGIFJ-NRFANRHFSA-N 2 2 351.450 3.303 40 0 FGABLP Cc1ccc(Cl)cc1Nc1cc(C2CC2)[nH+]c(NCCC[NH+](C)C)n1 ZINC000328989168 499007786 /nfs/dbraw/zinc/00/77/86/499007786.db2.gz IJMDTTPOLGKCQO-UHFFFAOYSA-N 2 2 359.905 3.267 40 0 FGABLP COc1ccc(-c2c[nH+]c3n2C[C@@H]2C[N@@H+](Cc4cccnc4)C[C@@H]2C3)cc1 ZINC000306142754 223114657 /nfs/dbraw/zinc/11/46/57/223114657.db2.gz XIJXTRFPPCNVSN-OALUTQOASA-N 2 2 360.461 3.258 40 0 FGABLP COc1ccc(-c2c[nH+]c3n2C[C@@H]2C[N@H+](Cc4cccnc4)C[C@@H]2C3)cc1 ZINC000306142754 223114660 /nfs/dbraw/zinc/11/46/60/223114660.db2.gz XIJXTRFPPCNVSN-OALUTQOASA-N 2 2 360.461 3.258 40 0 FGABLP CC(C)Oc1cccc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3[NH+]2CCOCC2)c1 ZINC000019450809 220258481 /nfs/dbraw/zinc/25/84/81/220258481.db2.gz JLWWLSRXSIZWOZ-RLAPIPATSA-N 2 2 358.526 3.407 40 0 FGABLP CC(C)Oc1cccc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3[NH+]2CCOCC2)c1 ZINC000019450809 220258485 /nfs/dbraw/zinc/25/84/85/220258485.db2.gz JLWWLSRXSIZWOZ-RLAPIPATSA-N 2 2 358.526 3.407 40 0 FGABLP CC(C)c1cc(N2Cc3ccccc3CC2(C)C)nc(NCC[NH+](C)C)[nH+]1 ZINC000329031343 132372867 /nfs/dbraw/zinc/37/28/67/132372867.db2.gz QISWLCAUFLWUCJ-UHFFFAOYSA-N 2 2 367.541 3.337 40 0 FGABLP CCOC(=O)[C@@]12C[N@@H+](C(C)C)C[C@@H]1C[NH+](Cc1ccsc1)CCC2 ZINC000096055901 222005308 /nfs/dbraw/zinc/00/53/08/222005308.db2.gz NKUFPJREDRTUOO-HKUYNNGSSA-N 2 2 350.528 3.234 40 0 FGABLP CCOC(=O)[C@@]12C[N@H+](C(C)C)C[C@@H]1C[NH+](Cc1ccsc1)CCC2 ZINC000096055901 222005313 /nfs/dbraw/zinc/00/53/13/222005313.db2.gz NKUFPJREDRTUOO-HKUYNNGSSA-N 2 2 350.528 3.234 40 0 FGABLP CCOC(=O)[C@@]12C[NH+](C(C)C)C[C@@H]1C[N@H+](Cc1ccsc1)CCC2 ZINC000096055901 222005317 /nfs/dbraw/zinc/00/53/17/222005317.db2.gz NKUFPJREDRTUOO-HKUYNNGSSA-N 2 2 350.528 3.234 40 0 FGABLP CCOC(=O)[C@@]12C[NH+](C(C)C)C[C@@H]1C[N@@H+](Cc1ccsc1)CCC2 ZINC000096055901 222005319 /nfs/dbraw/zinc/00/53/19/222005319.db2.gz NKUFPJREDRTUOO-HKUYNNGSSA-N 2 2 350.528 3.234 40 0 FGABLP c1coc(C[N@@H+]2C[C@H]3C[NH+]([C@@H]4CCOC4)CC[C@]3(c3ccccc3)C2)c1 ZINC000096083305 222017326 /nfs/dbraw/zinc/01/73/26/222017326.db2.gz JYWYAYBTUYRDFJ-TUNNFDKTSA-N 2 2 352.478 3.144 40 0 FGABLP c1coc(C[N@H+]2C[C@H]3C[NH+]([C@@H]4CCOC4)CC[C@]3(c3ccccc3)C2)c1 ZINC000096083305 222017329 /nfs/dbraw/zinc/01/73/29/222017329.db2.gz JYWYAYBTUYRDFJ-TUNNFDKTSA-N 2 2 352.478 3.144 40 0 FGABLP c1coc(C[NH+]2C[C@H]3C[N@@H+]([C@@H]4CCOC4)CC[C@]3(c3ccccc3)C2)c1 ZINC000096083305 222017333 /nfs/dbraw/zinc/01/73/33/222017333.db2.gz JYWYAYBTUYRDFJ-TUNNFDKTSA-N 2 2 352.478 3.144 40 0 FGABLP c1coc(C[NH+]2C[C@H]3C[N@H+]([C@@H]4CCOC4)CC[C@]3(c3ccccc3)C2)c1 ZINC000096083305 222017336 /nfs/dbraw/zinc/01/73/36/222017336.db2.gz JYWYAYBTUYRDFJ-TUNNFDKTSA-N 2 2 352.478 3.144 40 0 FGABLP CC[N@@H+]1C[C@@H](COCc2cccnc2)[C@]2(CC[NH+](Cc3ccco3)C2)C1 ZINC000096219357 222083600 /nfs/dbraw/zinc/08/36/00/222083600.db2.gz KBRHUKUDLUJCIW-PZJWPPBQSA-N 2 2 355.482 3.035 40 0 FGABLP CC[N@H+]1C[C@@H](COCc2cccnc2)[C@]2(CC[NH+](Cc3ccco3)C2)C1 ZINC000096219357 222083604 /nfs/dbraw/zinc/08/36/04/222083604.db2.gz KBRHUKUDLUJCIW-PZJWPPBQSA-N 2 2 355.482 3.035 40 0 FGABLP CC[NH+]1C[C@@H](COCc2cccnc2)[C@]2(CC[N@H+](Cc3ccco3)C2)C1 ZINC000096219357 222083606 /nfs/dbraw/zinc/08/36/06/222083606.db2.gz KBRHUKUDLUJCIW-PZJWPPBQSA-N 2 2 355.482 3.035 40 0 FGABLP CC[NH+]1C[C@@H](COCc2cccnc2)[C@]2(CC[N@@H+](Cc3ccco3)C2)C1 ZINC000096219357 222083610 /nfs/dbraw/zinc/08/36/10/222083610.db2.gz KBRHUKUDLUJCIW-PZJWPPBQSA-N 2 2 355.482 3.035 40 0 FGABLP Clc1ccc2c(c1)NC1(CC[NH+](Cc3ccncc3)CC1)N1CC[NH+]=C21 ZINC000072327119 494152877 /nfs/dbraw/zinc/15/28/77/494152877.db2.gz OEZZVNOZJGFSDQ-UHFFFAOYSA-N 2 2 367.884 3.215 40 0 FGABLP O=C(NC[C@H]1C[C@@H]2CC[N@@H+]1C[C@@H]2C[NH+]1CCCCC1)Nc1ccsc1 ZINC000012602477 494246455 /nfs/dbraw/zinc/24/64/55/494246455.db2.gz WTRXSGKWQSGMQB-XYJFISCASA-N 2 2 362.543 3.066 40 0 biogenic,in-vitro FGABLP O=C(NC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2C[NH+]1CCCCC1)Nc1ccsc1 ZINC000012602477 494246457 /nfs/dbraw/zinc/24/64/57/494246457.db2.gz WTRXSGKWQSGMQB-XYJFISCASA-N 2 2 362.543 3.066 40 0 biogenic,in-vitro FGABLP Cc1ccc(Nc2cc(C3CC3)[nH+]c(NCCC[NH+](C)C)n2)cc1Cl ZINC000329046121 223131358 /nfs/dbraw/zinc/13/13/58/223131358.db2.gz UAHMGUAIAMUZMY-UHFFFAOYSA-N 2 2 359.905 3.267 40 0 FGABLP Cc1csc2c([C@@H]3CCCN(C(=O)CCn4cc[nH+]c4)C3)[nH+]c(C)n12 ZINC000019240416 220244099 /nfs/dbraw/zinc/24/40/99/220244099.db2.gz KLLRMZUTINKWHJ-OAHLLOKOSA-N 2 2 357.483 3.005 40 0 FGABLP C[NH+]1CCC([N@H+](CCO)CC2(c3ccc(Cl)cc3Cl)CC2)CC1 ZINC000036743643 494097842 /nfs/dbraw/zinc/09/78/42/494097842.db2.gz SDBFYLFXSWCFSB-UHFFFAOYSA-N 2 2 357.325 3.414 40 0 FGABLP C[NH+]1CCC([N@@H+](CCO)CC2(c3ccc(Cl)cc3Cl)CC2)CC1 ZINC000036743643 494097843 /nfs/dbraw/zinc/09/78/43/494097843.db2.gz SDBFYLFXSWCFSB-UHFFFAOYSA-N 2 2 357.325 3.414 40 0 FGABLP Cc1[nH+]cc(-c2cc(CC3CC[NH+](C4CC[NH+](C)CC4)CC3)ccn2)n1C ZINC000257309673 534720464 /nfs/dbraw/zinc/72/04/64/534720464.db2.gz UBXBENGZCZTWGC-UHFFFAOYSA-N 3 2 367.541 3.139 40 0 FGABLP Cc1csc2c(C3CCN(C(=O)CCn4cc[nH+]c4)CC3)[nH+]c(C)n12 ZINC000019240548 220243345 /nfs/dbraw/zinc/24/33/45/220243345.db2.gz XFKMRNZQBNOMCS-UHFFFAOYSA-N 2 2 357.483 3.005 40 0 FGABLP COc1cccc(C[N@@H+]2CCC[C@H]2c2nc(C)ncc2C[NH+](C)C)c1F ZINC000257212355 533478630 /nfs/dbraw/zinc/47/86/30/533478630.db2.gz CDAOYXRAPIMWFB-KRWDZBQOSA-N 2 2 358.461 3.331 40 0 FGABLP COc1cccc(C[N@H+]2CCC[C@H]2c2nc(C)ncc2C[NH+](C)C)c1F ZINC000257212355 533478639 /nfs/dbraw/zinc/47/86/39/533478639.db2.gz CDAOYXRAPIMWFB-KRWDZBQOSA-N 2 2 358.461 3.331 40 0 FGABLP COc1ccccc1N1CC[NH+](C2CC[NH+]([C@@H]3C[C@@H]4CC[C@H]3C4)CC2)CC1 ZINC000101873919 132234539 /nfs/dbraw/zinc/23/45/39/132234539.db2.gz HGIWURKGWWERTO-XQBPLPMBSA-N 2 2 369.553 3.470 40 0 FGABLP CC[N@@H+]1C[C@H](COCc2ccccn2)[C@]2(CC[NH+](Cc3ccoc3)C2)C1 ZINC000096216927 222081579 /nfs/dbraw/zinc/08/15/79/222081579.db2.gz YLDNGBSMBWXHSJ-TZIWHRDSSA-N 2 2 355.482 3.035 40 0 FGABLP CC[N@H+]1C[C@H](COCc2ccccn2)[C@]2(CC[NH+](Cc3ccoc3)C2)C1 ZINC000096216927 222081582 /nfs/dbraw/zinc/08/15/82/222081582.db2.gz YLDNGBSMBWXHSJ-TZIWHRDSSA-N 2 2 355.482 3.035 40 0 FGABLP CC[NH+]1C[C@H](COCc2ccccn2)[C@]2(CC[N@H+](Cc3ccoc3)C2)C1 ZINC000096216927 222081585 /nfs/dbraw/zinc/08/15/85/222081585.db2.gz YLDNGBSMBWXHSJ-TZIWHRDSSA-N 2 2 355.482 3.035 40 0 FGABLP CC[NH+]1C[C@H](COCc2ccccn2)[C@]2(CC[N@@H+](Cc3ccoc3)C2)C1 ZINC000096216927 222081587 /nfs/dbraw/zinc/08/15/87/222081587.db2.gz YLDNGBSMBWXHSJ-TZIWHRDSSA-N 2 2 355.482 3.035 40 0 FGABLP c1nc2n(c1-c1ccccc1)CC[NH2+]C21CC[NH+](Cc2cccnc2)CC1 ZINC000096037105 494997122 /nfs/dbraw/zinc/99/71/22/494997122.db2.gz MBZUHTVUHZDIMO-UHFFFAOYSA-N 2 2 359.477 3.040 40 0 FGABLP Cc1c2ccccc2oc1C(=O)N1Cc2c[nH+]cn2[C@H](C[NH+]2CCCC2)C1 ZINC000253599686 497344693 /nfs/dbraw/zinc/34/46/93/497344693.db2.gz YFCKSJCEDRQLLR-QGZVFWFLSA-N 2 2 364.449 3.231 40 0 FGABLP Cc1c2ccccc2oc1C(=O)N1Cc2c[nH+]cn2[C@@H](C[NH+]2CCCC2)C1 ZINC000253599683 497345199 /nfs/dbraw/zinc/34/51/99/497345199.db2.gz YFCKSJCEDRQLLR-KRWDZBQOSA-N 2 2 364.449 3.231 40 0 FGABLP c1ccc(N2CCC[C@]3(CC[N@@H+](Cc4ccc5c(c4)OCO5)C3)C2)[nH+]c1 ZINC000096216659 132222592 /nfs/dbraw/zinc/22/25/92/132222592.db2.gz FBDZKNIKHSGIFJ-OAQYLSRUSA-N 2 2 351.450 3.303 40 0 FGABLP c1ccc(N2CCC[C@]3(CC[N@H+](Cc4ccc5c(c4)OCO5)C3)C2)[nH+]c1 ZINC000096216659 132222593 /nfs/dbraw/zinc/22/25/93/132222593.db2.gz FBDZKNIKHSGIFJ-OAQYLSRUSA-N 2 2 351.450 3.303 40 0 FGABLP C[NH+](C)CCCNc1nc(NCc2cccs2)cc(-c2ccccc2)[nH+]1 ZINC000328958962 203842740 /nfs/dbraw/zinc/84/27/40/203842740.db2.gz ARKMMKJNOUPBNV-UHFFFAOYSA-N 2 2 367.522 3.025 40 0 FGABLP Cc1ccsc1C[N@H+]1Cc2ccnn2C[C@@H](CNc2cccc[nH+]2)C1 ZINC000253598473 497345135 /nfs/dbraw/zinc/34/51/35/497345135.db2.gz BVQAEJKQGAFTAR-INIZCTEOSA-N 2 2 353.495 3.392 40 0 FGABLP Cc1ccsc1C[N@@H+]1Cc2ccnn2C[C@@H](CNc2cccc[nH+]2)C1 ZINC000253598473 497345141 /nfs/dbraw/zinc/34/51/41/497345141.db2.gz BVQAEJKQGAFTAR-INIZCTEOSA-N 2 2 353.495 3.392 40 0 FGABLP Cc1cc2[nH]c(C3CC[NH+](CC(=O)N4CCCCC4)CC3)[nH+]c2cc1C ZINC000035292243 204230057 /nfs/dbraw/zinc/23/00/57/204230057.db2.gz TXJPTXSIZAXBLF-UHFFFAOYSA-N 2 2 354.498 3.372 40 0 FGABLP CC[C@H](C)Nc1nc(NCC[NH+]2CCOCC2)cc(-c2ccccc2)[nH+]1 ZINC000240762368 206116828 /nfs/dbraw/zinc/11/68/28/206116828.db2.gz ATFDEVAFTRKCDB-INIZCTEOSA-N 2 2 355.486 3.098 40 0 FGABLP CCN(C(=O)Cn1c(CC(C)C)[nH+]c2ccccc21)C1CC[NH+](C)CC1 ZINC000019666619 494454024 /nfs/dbraw/zinc/45/40/24/494454024.db2.gz CWNZUEUVCRSXDR-UHFFFAOYSA-N 2 2 356.514 3.178 40 0 FGABLP CCCCn1cc(C[N@@H+]2CCC[C@@H]2c2nccc(C[NH+](C)C)n2)c(C)n1 ZINC000257250164 497394405 /nfs/dbraw/zinc/39/44/05/497394405.db2.gz JLHZJNAEVYSNFI-LJQANCHMSA-N 2 2 356.518 3.180 40 0 FGABLP CCCCn1cc(C[N@H+]2CCC[C@@H]2c2nccc(C[NH+](C)C)n2)c(C)n1 ZINC000257250164 497394410 /nfs/dbraw/zinc/39/44/10/497394410.db2.gz JLHZJNAEVYSNFI-LJQANCHMSA-N 2 2 356.518 3.180 40 0 FGABLP C[NH+]1CCC([N@H+]2C[C@H]3C[C@H](Cn4c(=O)c(-c5cccs5)ccc43)C2)CC1 ZINC000004237304 206172700 /nfs/dbraw/zinc/17/27/00/206172700.db2.gz MSCTWVKFALLTQY-JKSUJKDBSA-N 2 2 369.534 3.090 40 0 biogenic,in-vitro FGABLP C[NH+]1CCC([N@@H+]2C[C@H]3C[C@H](Cn4c(=O)c(-c5cccs5)ccc43)C2)CC1 ZINC000004237304 206172705 /nfs/dbraw/zinc/17/27/05/206172705.db2.gz MSCTWVKFALLTQY-JKSUJKDBSA-N 2 2 369.534 3.090 40 0 biogenic,in-vitro FGABLP COc1ccc(C[N@@H+]2CCc3nc([C@@H]4CCCC[NH+]4C)ncc3C2)cc1 ZINC000019589016 494451838 /nfs/dbraw/zinc/45/18/38/494451838.db2.gz ANCXNGVSIKROGV-FQEVSTJZSA-N 2 2 352.482 3.200 40 0 FGABLP COc1ccc(C[N@H+]2CCc3nc([C@@H]4CCCC[NH+]4C)ncc3C2)cc1 ZINC000019589016 494451844 /nfs/dbraw/zinc/45/18/44/494451844.db2.gz ANCXNGVSIKROGV-FQEVSTJZSA-N 2 2 352.482 3.200 40 0 FGABLP COc1ccc(C[NH+]2CCc3nc([C@@H]4CCCC[N@@H+]4C)ncc3C2)cc1 ZINC000019589016 494451847 /nfs/dbraw/zinc/45/18/47/494451847.db2.gz ANCXNGVSIKROGV-FQEVSTJZSA-N 2 2 352.482 3.200 40 0 FGABLP COc1ccc(C[NH+]2CCc3nc([C@@H]4CCCC[N@H+]4C)ncc3C2)cc1 ZINC000019589016 494451852 /nfs/dbraw/zinc/45/18/52/494451852.db2.gz ANCXNGVSIKROGV-FQEVSTJZSA-N 2 2 352.482 3.200 40 0 FGABLP CCOC(=O)[C@@]12C[N@H+](Cc3ccoc3)C[C@@H]1C[NH+](Cc1ccco1)CCC2 ZINC000096056026 494999411 /nfs/dbraw/zinc/99/94/11/494999411.db2.gz FWBRHEMMMRHPAV-RXVVDRJESA-N 2 2 372.465 3.150 40 0 FGABLP CCOC(=O)[C@@]12C[N@@H+](Cc3ccoc3)C[C@@H]1C[NH+](Cc1ccco1)CCC2 ZINC000096056026 494999412 /nfs/dbraw/zinc/99/94/12/494999412.db2.gz FWBRHEMMMRHPAV-RXVVDRJESA-N 2 2 372.465 3.150 40 0 FGABLP CCOC(=O)[C@@]12C[NH+](Cc3ccoc3)C[C@@H]1C[N@H+](Cc1ccco1)CCC2 ZINC000096056026 494999413 /nfs/dbraw/zinc/99/94/13/494999413.db2.gz FWBRHEMMMRHPAV-RXVVDRJESA-N 2 2 372.465 3.150 40 0 FGABLP CCOC(=O)[C@@]12C[NH+](Cc3ccoc3)C[C@@H]1C[N@@H+](Cc1ccco1)CCC2 ZINC000096056026 494999414 /nfs/dbraw/zinc/99/94/14/494999414.db2.gz FWBRHEMMMRHPAV-RXVVDRJESA-N 2 2 372.465 3.150 40 0 FGABLP Fc1ccccc1C[N@H+]1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC000096220778 495007787 /nfs/dbraw/zinc/00/77/87/495007787.db2.gz WTAHBMKDNCPQRI-INIZCTEOSA-N 2 2 352.413 3.128 40 0 FGABLP Fc1ccccc1C[N@@H+]1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC000096220778 495007791 /nfs/dbraw/zinc/00/77/91/495007791.db2.gz WTAHBMKDNCPQRI-INIZCTEOSA-N 2 2 352.413 3.128 40 0 FGABLP COc1cccc(C[N@@H+]2CCC[C@@H]2c2nc(C)ncc2C[NH+](C)C)c1F ZINC000257212356 497390915 /nfs/dbraw/zinc/39/09/15/497390915.db2.gz CDAOYXRAPIMWFB-QGZVFWFLSA-N 2 2 358.461 3.331 40 0 FGABLP COc1cccc(C[N@H+]2CCC[C@@H]2c2nc(C)ncc2C[NH+](C)C)c1F ZINC000257212356 497390919 /nfs/dbraw/zinc/39/09/19/497390919.db2.gz CDAOYXRAPIMWFB-QGZVFWFLSA-N 2 2 358.461 3.331 40 0 FGABLP O[C@H]1[C@H](Oc2cccc(Cl)c2)CCC[C@@H]1[NH2+]CC[NH+]1CCCCC1 ZINC000585289392 507586643 /nfs/dbraw/zinc/58/66/43/507586643.db2.gz IWWMAKSFMUZFCP-IPMKNSEASA-N 2 2 352.906 3.076 40 0 FGABLP Cc1[nH+]ccn1-c1nccnc1C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000072350502 494156106 /nfs/dbraw/zinc/15/61/06/494156106.db2.gz AJNFZCCGBPYGSM-UHFFFAOYSA-N 2 2 351.429 3.489 40 0 FGABLP O=C(c1ccc(Cn2cc[nH+]c2)o1)N1CCCC[C@H]1C[NH+]1CCCCCC1 ZINC000019342580 494441940 /nfs/dbraw/zinc/44/19/40/494441940.db2.gz AMISVNICPXAZFQ-SFHVURJKSA-N 2 2 370.497 3.395 40 0 FGABLP c1nc2n(c1-c1ccccc1)CC[NH2+]C21CC[NH+](Cc2ccncc2)CC1 ZINC000096263404 495008710 /nfs/dbraw/zinc/00/87/10/495008710.db2.gz SCARHXDAHKBOKL-UHFFFAOYSA-N 2 2 359.477 3.040 40 0 FGABLP Cc1[nH+]cc(-c2nccnc2C2CC[NH+](Cc3cncs3)CC2)n1C ZINC000257341948 497405069 /nfs/dbraw/zinc/40/50/69/497405069.db2.gz ZMNHWEPNNAACMH-UHFFFAOYSA-N 2 2 354.483 3.022 40 0 FGABLP CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000044908390 205115258 /nfs/dbraw/zinc/11/52/58/205115258.db2.gz KZRLZMKQDDRMMC-FQEVSTJZSA-N 2 2 354.498 3.316 40 0 FGABLP CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000044908390 205115262 /nfs/dbraw/zinc/11/52/62/205115262.db2.gz KZRLZMKQDDRMMC-FQEVSTJZSA-N 2 2 354.498 3.316 40 0 FGABLP Cc1[nH+]c(C2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)CC2)c2sccn12 ZINC000019240801 494440067 /nfs/dbraw/zinc/44/00/67/494440067.db2.gz ATPAWQZZEVLNJH-CYBMUJFWSA-N 2 2 357.483 3.258 40 0 FGABLP c1cc(OC2CCCC2)ccc1C[N@@H+]1CCC[C@H]1c1nnc2n1CC[NH2+]C2 ZINC000019767396 494459682 /nfs/dbraw/zinc/45/96/82/494459682.db2.gz ULVLMZYNURDWCF-IBGZPJMESA-N 2 2 367.497 3.040 40 0 FGABLP c1cc(OC2CCCC2)ccc1C[N@H+]1CCC[C@H]1c1nnc2n1CC[NH2+]C2 ZINC000019767396 494459688 /nfs/dbraw/zinc/45/96/88/494459688.db2.gz ULVLMZYNURDWCF-IBGZPJMESA-N 2 2 367.497 3.040 40 0 FGABLP CC[N@@H+]1C[C@H](COCc2ccccn2)[C@]2(CC[NH+](Cc3ccco3)C2)C1 ZINC000096217248 495007444 /nfs/dbraw/zinc/00/74/44/495007444.db2.gz QFFMAWQDQWQCPV-WIYYLYMNSA-N 2 2 355.482 3.035 40 0 FGABLP CC[N@H+]1C[C@H](COCc2ccccn2)[C@]2(CC[NH+](Cc3ccco3)C2)C1 ZINC000096217248 495007448 /nfs/dbraw/zinc/00/74/48/495007448.db2.gz QFFMAWQDQWQCPV-WIYYLYMNSA-N 2 2 355.482 3.035 40 0 FGABLP CC[NH+]1C[C@H](COCc2ccccn2)[C@]2(CC[N@H+](Cc3ccco3)C2)C1 ZINC000096217248 495007452 /nfs/dbraw/zinc/00/74/52/495007452.db2.gz QFFMAWQDQWQCPV-WIYYLYMNSA-N 2 2 355.482 3.035 40 0 FGABLP CC[NH+]1C[C@H](COCc2ccccn2)[C@]2(CC[N@@H+](Cc3ccco3)C2)C1 ZINC000096217248 495007454 /nfs/dbraw/zinc/00/74/54/495007454.db2.gz QFFMAWQDQWQCPV-WIYYLYMNSA-N 2 2 355.482 3.035 40 0 FGABLP O=C(c1cccc(Cl)c1)N1Cc2c[nH+]cn2[C@@H](C[NH+]2CCCCC2)C1 ZINC000247940857 496930306 /nfs/dbraw/zinc/93/03/06/496930306.db2.gz PPOVFFDHNLEEPW-SFHVURJKSA-N 2 2 358.873 3.220 40 0 FGABLP COc1cccc(F)c1C[N@@H+]1CCC[C@@H]1c1nc(C)ncc1C[NH+](C)C ZINC000257300153 497401184 /nfs/dbraw/zinc/40/11/84/497401184.db2.gz RTDJQJJFPYOHIP-GOSISDBHSA-N 2 2 358.461 3.331 40 0 FGABLP COc1cccc(F)c1C[N@H+]1CCC[C@@H]1c1nc(C)ncc1C[NH+](C)C ZINC000257300153 497401190 /nfs/dbraw/zinc/40/11/90/497401190.db2.gz RTDJQJJFPYOHIP-GOSISDBHSA-N 2 2 358.461 3.331 40 0 FGABLP Cc1cc(N2CCN(C(=O)CCC[NH+]3CCCC3)CC2)[nH+]c2ccccc12 ZINC000019118951 494436041 /nfs/dbraw/zinc/43/60/41/494436041.db2.gz MZXGRRFHAYWDAX-UHFFFAOYSA-N 2 2 366.509 3.068 40 0 FGABLP Cc1cccc(C[N@@H+](C)Cc2cc(N(C)C)nc([C@H]3CCCC[NH2+]3)n2)c1 ZINC000019709864 494456434 /nfs/dbraw/zinc/45/64/34/494456434.db2.gz SJEBAFDTWGFOBG-LJQANCHMSA-N 2 2 353.514 3.298 40 0 FGABLP Cc1cccc(C[N@H+](C)Cc2cc(N(C)C)nc([C@H]3CCCC[NH2+]3)n2)c1 ZINC000019709864 494456436 /nfs/dbraw/zinc/45/64/36/494456436.db2.gz SJEBAFDTWGFOBG-LJQANCHMSA-N 2 2 353.514 3.298 40 0 FGABLP CCCCn1cc(C[N@@H+]2CCC[C@H]2c2nccc(C[NH+](C)C)n2)c(C)n1 ZINC000257250163 497395522 /nfs/dbraw/zinc/39/55/22/497395522.db2.gz JLHZJNAEVYSNFI-IBGZPJMESA-N 2 2 356.518 3.180 40 0 FGABLP CCCCn1cc(C[N@H+]2CCC[C@H]2c2nccc(C[NH+](C)C)n2)c(C)n1 ZINC000257250163 497395524 /nfs/dbraw/zinc/39/55/24/497395524.db2.gz JLHZJNAEVYSNFI-IBGZPJMESA-N 2 2 356.518 3.180 40 0 FGABLP OCC[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cc(Cl)cc(Cl)c1 ZINC000624289072 571145771 /nfs/dbraw/zinc/14/57/71/571145771.db2.gz DBOAYYGZVBRDJX-ZWKOTPCHSA-N 2 2 373.324 3.260 40 0 FGABLP CC(C)Oc1cccc(C[N@@H+]2CCc3nc([C@H]4CCC[NH2+]4)ncc3C2)c1 ZINC000019450897 494445303 /nfs/dbraw/zinc/44/53/03/494445303.db2.gz XOTHNHHRAOICBU-HXUWFJFHSA-N 2 2 352.482 3.247 40 0 FGABLP CC(C)Oc1cccc(C[N@H+]2CCc3nc([C@H]4CCC[NH2+]4)ncc3C2)c1 ZINC000019450897 494445308 /nfs/dbraw/zinc/44/53/08/494445308.db2.gz XOTHNHHRAOICBU-HXUWFJFHSA-N 2 2 352.482 3.247 40 0 FGABLP CC[N@@H+]1C[C@@H](COCc2ccccn2)[C@]2(CC[NH+](Cc3ccoc3)C2)C1 ZINC000096215991 495008018 /nfs/dbraw/zinc/00/80/18/495008018.db2.gz YLDNGBSMBWXHSJ-PZJWPPBQSA-N 2 2 355.482 3.035 40 0 FGABLP CC[N@H+]1C[C@@H](COCc2ccccn2)[C@]2(CC[NH+](Cc3ccoc3)C2)C1 ZINC000096215991 495008019 /nfs/dbraw/zinc/00/80/19/495008019.db2.gz YLDNGBSMBWXHSJ-PZJWPPBQSA-N 2 2 355.482 3.035 40 0 FGABLP CC[NH+]1C[C@@H](COCc2ccccn2)[C@]2(CC[N@H+](Cc3ccoc3)C2)C1 ZINC000096215991 495008021 /nfs/dbraw/zinc/00/80/21/495008021.db2.gz YLDNGBSMBWXHSJ-PZJWPPBQSA-N 2 2 355.482 3.035 40 0 FGABLP CC[NH+]1C[C@@H](COCc2ccccn2)[C@]2(CC[N@@H+](Cc3ccoc3)C2)C1 ZINC000096215991 495008022 /nfs/dbraw/zinc/00/80/22/495008022.db2.gz YLDNGBSMBWXHSJ-PZJWPPBQSA-N 2 2 355.482 3.035 40 0 FGABLP O=C(c1cccc(Cl)c1)N1Cc2c[nH+]cn2[C@H](C[NH+]2CCCCC2)C1 ZINC000247940851 496930115 /nfs/dbraw/zinc/93/01/15/496930115.db2.gz PPOVFFDHNLEEPW-GOSISDBHSA-N 2 2 358.873 3.220 40 0 FGABLP CC[NH+](CC)CC[C@@H]1CN(C(=O)/C=C/c2cccs2)Cc2c[nH+]cn21 ZINC000306142523 498742901 /nfs/dbraw/zinc/74/29/01/498742901.db2.gz XBUYXBGKSYXXKA-KXPUMZMLSA-N 2 2 358.511 3.273 40 0 FGABLP O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000044932682 208323432 /nfs/dbraw/zinc/32/34/32/208323432.db2.gz MOWHGWDEMAHVGM-UHFFFAOYSA-N 2 2 360.461 3.398 40 0 FGABLP Cc1ccc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccccn2)CCO3)s1 ZINC000096048959 209102108 /nfs/dbraw/zinc/10/21/08/209102108.db2.gz VWONISCDTRXAMM-UHFFFAOYSA-N 2 2 357.523 3.319 40 0 FGABLP Cc1ccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccn2)CCO3)s1 ZINC000096048959 209102110 /nfs/dbraw/zinc/10/21/10/209102110.db2.gz VWONISCDTRXAMM-UHFFFAOYSA-N 2 2 357.523 3.319 40 0 FGABLP COc1ccccc1N1CC[NH+](C2CC[NH+]([C@H]3C[C@@H]4CC[C@H]3C4)CC2)CC1 ZINC000005811118 493943644 /nfs/dbraw/zinc/94/36/44/493943644.db2.gz HGIWURKGWWERTO-DXIQSLLYSA-N 2 2 369.553 3.470 40 0 FGABLP C[C@@H]1CCCN(c2ncc(-c3c[nH+]cn3CC[N@H+](C)C3CCCC3)cn2)C1 ZINC000019720000 494458323 /nfs/dbraw/zinc/45/83/23/494458323.db2.gz PQJHQMNFYKOLDI-QGZVFWFLSA-N 2 2 368.529 3.451 40 0 FGABLP C[C@@H]1CCCN(c2ncc(-c3c[nH+]cn3CC[N@@H+](C)C3CCCC3)cn2)C1 ZINC000019720000 494458327 /nfs/dbraw/zinc/45/83/27/494458327.db2.gz PQJHQMNFYKOLDI-QGZVFWFLSA-N 2 2 368.529 3.451 40 0 FGABLP COc1ncccc1C[N@@H+]1C[C@@H]2Cn3c(-c4ccccc4)c[nH+]c3C[C@@H]2C1 ZINC000306129167 498737662 /nfs/dbraw/zinc/73/76/62/498737662.db2.gz HWGOUQUQAYZHKI-RTBURBONSA-N 2 2 360.461 3.258 40 0 FGABLP COc1ncccc1C[N@H+]1C[C@@H]2Cn3c(-c4ccccc4)c[nH+]c3C[C@@H]2C1 ZINC000306129167 498737666 /nfs/dbraw/zinc/73/76/66/498737666.db2.gz HWGOUQUQAYZHKI-RTBURBONSA-N 2 2 360.461 3.258 40 0 FGABLP COc1ncccc1C[N@H+]1C[C@@H]2Cc3[nH+]cc(-c4ccccc4)n3C[C@@H]2C1 ZINC000306129165 498738031 /nfs/dbraw/zinc/73/80/31/498738031.db2.gz HWGOUQUQAYZHKI-OALUTQOASA-N 2 2 360.461 3.258 40 0 FGABLP COc1ncccc1C[N@@H+]1C[C@@H]2Cc3[nH+]cc(-c4ccccc4)n3C[C@@H]2C1 ZINC000306129165 498738037 /nfs/dbraw/zinc/73/80/37/498738037.db2.gz HWGOUQUQAYZHKI-OALUTQOASA-N 2 2 360.461 3.258 40 0 FGABLP CC[N@@H+]1C[C@H](COCc2cccnc2)[C@]2(CC[NH+](Cc3ccoc3)C2)C1 ZINC000096216902 209136566 /nfs/dbraw/zinc/13/65/66/209136566.db2.gz BQKCDQXSSNHRDO-NHCUHLMSSA-N 2 2 355.482 3.035 40 0 FGABLP CC[N@H+]1C[C@H](COCc2cccnc2)[C@]2(CC[NH+](Cc3ccoc3)C2)C1 ZINC000096216902 209136567 /nfs/dbraw/zinc/13/65/67/209136567.db2.gz BQKCDQXSSNHRDO-NHCUHLMSSA-N 2 2 355.482 3.035 40 0 FGABLP CC[NH+]1C[C@H](COCc2cccnc2)[C@]2(CC[N@H+](Cc3ccoc3)C2)C1 ZINC000096216902 209136571 /nfs/dbraw/zinc/13/65/71/209136571.db2.gz BQKCDQXSSNHRDO-NHCUHLMSSA-N 2 2 355.482 3.035 40 0 FGABLP CC[NH+]1C[C@H](COCc2cccnc2)[C@]2(CC[N@@H+](Cc3ccoc3)C2)C1 ZINC000096216902 209136573 /nfs/dbraw/zinc/13/65/73/209136573.db2.gz BQKCDQXSSNHRDO-NHCUHLMSSA-N 2 2 355.482 3.035 40 0 FGABLP COc1ccc(C[N@@H+]2CCC[C@@H](c3nccnc3-n3cc[nH+]c3C)C2)cc1 ZINC000072350514 494155719 /nfs/dbraw/zinc/15/57/19/494155719.db2.gz LBRLJUXAEJVIQX-GOSISDBHSA-N 2 2 363.465 3.359 40 0 FGABLP COc1ccc(C[N@H+]2CCC[C@@H](c3nccnc3-n3cc[nH+]c3C)C2)cc1 ZINC000072350514 494155721 /nfs/dbraw/zinc/15/57/21/494155721.db2.gz LBRLJUXAEJVIQX-GOSISDBHSA-N 2 2 363.465 3.359 40 0 FGABLP CC(C)Oc1cccc(C[N@@H+]2CCc3nc([C@@H]4CCC[NH2+]4)ncc3C2)c1 ZINC000019450895 494445071 /nfs/dbraw/zinc/44/50/71/494445071.db2.gz XOTHNHHRAOICBU-FQEVSTJZSA-N 2 2 352.482 3.247 40 0 FGABLP CC(C)Oc1cccc(C[N@H+]2CCc3nc([C@@H]4CCC[NH2+]4)ncc3C2)c1 ZINC000019450895 494445076 /nfs/dbraw/zinc/44/50/76/494445076.db2.gz XOTHNHHRAOICBU-FQEVSTJZSA-N 2 2 352.482 3.247 40 0 FGABLP Cc1cc2[nH+]c(CCC(=O)N[C@@H](C)C[NH+]3CCCCCC3)[nH]c2c(C)c1 ZINC000019568391 494449839 /nfs/dbraw/zinc/44/98/39/494449839.db2.gz UMVKPOGWIJPNHA-KRWDZBQOSA-N 2 2 356.514 3.493 40 0 FGABLP CCN1CCCc2cc(-c3c[nH+]cn3[C@@H](C)C[NH+]3CCOCC3)ccc21 ZINC000019719411 494458440 /nfs/dbraw/zinc/45/84/40/494458440.db2.gz YGHRBYUDZVLFNF-KRWDZBQOSA-N 2 2 354.498 3.216 40 0 FGABLP c1cc(OC2CCCC2)ccc1C[N@@H+]1CCC[C@@H]1c1nnc2n1CC[NH2+]C2 ZINC000019767394 494459713 /nfs/dbraw/zinc/45/97/13/494459713.db2.gz ULVLMZYNURDWCF-LJQANCHMSA-N 2 2 367.497 3.040 40 0 FGABLP c1cc(OC2CCCC2)ccc1C[N@H+]1CCC[C@@H]1c1nnc2n1CC[NH2+]C2 ZINC000019767394 494459717 /nfs/dbraw/zinc/45/97/17/494459717.db2.gz ULVLMZYNURDWCF-LJQANCHMSA-N 2 2 367.497 3.040 40 0 FGABLP COc1ccc(-c2c[nH+]c3n2C[C@H]2C[N@@H+](Cc4ccccn4)C[C@@H]2C3)cc1 ZINC000306126259 498738326 /nfs/dbraw/zinc/73/83/26/498738326.db2.gz DQYZLQZDJUSFPC-ZWKOTPCHSA-N 2 2 360.461 3.258 40 0 FGABLP COc1ccc(-c2c[nH+]c3n2C[C@H]2C[N@H+](Cc4ccccn4)C[C@@H]2C3)cc1 ZINC000306126259 498738332 /nfs/dbraw/zinc/73/83/32/498738332.db2.gz DQYZLQZDJUSFPC-ZWKOTPCHSA-N 2 2 360.461 3.258 40 0 FGABLP COc1cccc(C[N@@H+]2CC[C@]3(C2)C[C@@H](Nc2cccc[nH+]2)CCO3)c1 ZINC000096208385 209135217 /nfs/dbraw/zinc/13/52/17/209135217.db2.gz NSHKPJBYIJJWQA-GHTZIAJQSA-N 2 2 353.466 3.326 40 0 FGABLP COc1cccc(C[N@H+]2CC[C@]3(C2)C[C@@H](Nc2cccc[nH+]2)CCO3)c1 ZINC000096208385 209135219 /nfs/dbraw/zinc/13/52/19/209135219.db2.gz NSHKPJBYIJJWQA-GHTZIAJQSA-N 2 2 353.466 3.326 40 0 FGABLP CCc1ncc(C[N@H+](CCCn2cc[nH+]c2)Cc2cccc(F)c2)cn1 ZINC000036740192 208172068 /nfs/dbraw/zinc/17/20/68/208172068.db2.gz HUTGRUZMZCKLHK-UHFFFAOYSA-N 2 2 353.445 3.467 40 0 FGABLP CCc1ncc(C[N@@H+](CCCn2cc[nH+]c2)Cc2cccc(F)c2)cn1 ZINC000036740192 208172072 /nfs/dbraw/zinc/17/20/72/208172072.db2.gz HUTGRUZMZCKLHK-UHFFFAOYSA-N 2 2 353.445 3.467 40 0 FGABLP C1=C[C@H]2C[C@@H]1C[C@@H]2C[NH+]1CCC([NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000004712111 493888689 /nfs/dbraw/zinc/88/86/89/493888689.db2.gz IDTNYARQDYXIEF-QHAWAJNXSA-N 2 2 351.538 3.485 40 0 FGABLP Cc1[nH+]c2ccccc2n1[C@@H](C)C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000019286657 494439803 /nfs/dbraw/zinc/43/98/03/494439803.db2.gz AQLZRZVJOJXQQV-HRAATJIYSA-N 2 2 362.477 3.421 40 0 FGABLP Cc1[nH+]c2ccccc2n1[C@@H](C)C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000019286657 494439809 /nfs/dbraw/zinc/43/98/09/494439809.db2.gz AQLZRZVJOJXQQV-HRAATJIYSA-N 2 2 362.477 3.421 40 0 FGABLP C[NH+](C)CC[C@H]1CN(C(=O)c2cc3cc(Cl)ccc3o2)Cc2c[nH+]cn21 ZINC000248123779 496957247 /nfs/dbraw/zinc/95/72/47/496957247.db2.gz NWUDJNZVGGCVLU-HNNXBMFYSA-N 2 2 372.856 3.432 40 0 FGABLP O=C(NCc1ccccc1C[NH+]1CCCC1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000224803391 497053535 /nfs/dbraw/zinc/05/35/35/497053535.db2.gz SSQZRNIFWIDXKC-UHFFFAOYSA-N 2 2 374.488 3.457 40 0 FGABLP Cc1ccc2[nH+]cc(-c3cccc(C[C@H]4COC5(C4)CC[NH2+]CC5)n3)n2c1 ZINC000585263072 507582791 /nfs/dbraw/zinc/58/27/91/507582791.db2.gz INBYOMLXXVGYKB-QGZVFWFLSA-N 2 2 362.477 3.406 40 0 FGABLP O=C(NC[C@H]1C[C@@H]2CC[N@@H+]1C[C@@H]2C[NH+]1CCCCC1)Nc1ccccc1 ZINC000012602480 291073359 /nfs/dbraw/zinc/07/33/59/291073359.db2.gz LGIPYZLWHJZCHU-CMKODMSKSA-N 2 2 356.514 3.004 40 0 biogenic,in-vitro FGABLP O=C(NC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2C[NH+]1CCCCC1)Nc1ccccc1 ZINC000012602480 291073360 /nfs/dbraw/zinc/07/33/60/291073360.db2.gz LGIPYZLWHJZCHU-CMKODMSKSA-N 2 2 356.514 3.004 40 0 biogenic,in-vitro FGABLP FC1(F)CC[N@H+](Cc2cccnc2)C[C@@]12CC[NH+](Cc1ccccn1)C2 ZINC000096239799 209142368 /nfs/dbraw/zinc/14/23/68/209142368.db2.gz IHKOBDGAENJKPJ-LJQANCHMSA-N 2 2 358.436 3.210 40 0 FGABLP FC1(F)CC[N@@H+](Cc2cccnc2)C[C@@]12CC[NH+](Cc1ccccn1)C2 ZINC000096239799 209142370 /nfs/dbraw/zinc/14/23/70/209142370.db2.gz IHKOBDGAENJKPJ-LJQANCHMSA-N 2 2 358.436 3.210 40 0 FGABLP FC1(F)CC[NH+](Cc2cccnc2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC000096239799 209142372 /nfs/dbraw/zinc/14/23/72/209142372.db2.gz IHKOBDGAENJKPJ-LJQANCHMSA-N 2 2 358.436 3.210 40 0 FGABLP FC1(F)CC[NH+](Cc2cccnc2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC000096239799 209142375 /nfs/dbraw/zinc/14/23/75/209142375.db2.gz IHKOBDGAENJKPJ-LJQANCHMSA-N 2 2 358.436 3.210 40 0 FGABLP Cc1[nH+]c(C2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC2)c2sccn12 ZINC000019240800 494439109 /nfs/dbraw/zinc/43/91/09/494439109.db2.gz ATPAWQZZEVLNJH-ZDUSSCGKSA-N 2 2 357.483 3.258 40 0 FGABLP CC1CCN(c2ncc(-c3c[nH+]cn3CCC[NH+]3CCCCC3)cn2)CC1 ZINC000019719984 494458882 /nfs/dbraw/zinc/45/88/82/494458882.db2.gz SZKLSVPHPXHIBQ-UHFFFAOYSA-N 2 2 368.529 3.452 40 0 FGABLP COc1ccc(-c2c[nH+]c3n2C[C@@H]2C[N@@H+](Cc4ccccn4)C[C@@H]2C3)cc1 ZINC000306126258 498739274 /nfs/dbraw/zinc/73/92/74/498739274.db2.gz DQYZLQZDJUSFPC-ROUUACIJSA-N 2 2 360.461 3.258 40 0 FGABLP COc1ccc(-c2c[nH+]c3n2C[C@@H]2C[N@H+](Cc4ccccn4)C[C@@H]2C3)cc1 ZINC000306126258 498739277 /nfs/dbraw/zinc/73/92/77/498739277.db2.gz DQYZLQZDJUSFPC-ROUUACIJSA-N 2 2 360.461 3.258 40 0 FGABLP Cc1cc(C)c(Nc2cc(C3CC3)[nH+]c(NCCC[NH+](C)C)n2)c(C)c1 ZINC000328970847 499003037 /nfs/dbraw/zinc/00/30/37/499003037.db2.gz DMTGSFHOUZJDRA-UHFFFAOYSA-N 2 2 353.514 3.230 40 0 FGABLP CC[N@@H+]1C[C@@H](COCc2ccccn2)[C@]2(CC[NH+](Cc3ccco3)C2)C1 ZINC000096215791 209136667 /nfs/dbraw/zinc/13/66/67/209136667.db2.gz QFFMAWQDQWQCPV-GHTZIAJQSA-N 2 2 355.482 3.035 40 0 FGABLP CC[N@H+]1C[C@@H](COCc2ccccn2)[C@]2(CC[NH+](Cc3ccco3)C2)C1 ZINC000096215791 209136670 /nfs/dbraw/zinc/13/66/70/209136670.db2.gz QFFMAWQDQWQCPV-GHTZIAJQSA-N 2 2 355.482 3.035 40 0 FGABLP CC[NH+]1C[C@@H](COCc2ccccn2)[C@]2(CC[N@H+](Cc3ccco3)C2)C1 ZINC000096215791 209136672 /nfs/dbraw/zinc/13/66/72/209136672.db2.gz QFFMAWQDQWQCPV-GHTZIAJQSA-N 2 2 355.482 3.035 40 0 FGABLP CC[NH+]1C[C@@H](COCc2ccccn2)[C@]2(CC[N@@H+](Cc3ccco3)C2)C1 ZINC000096215791 209136675 /nfs/dbraw/zinc/13/66/75/209136675.db2.gz QFFMAWQDQWQCPV-GHTZIAJQSA-N 2 2 355.482 3.035 40 0 FGABLP Cc1cccc(C[N@@H+]2CC[C@H]3OCC[C@@]3(CCNc3cccc[nH+]3)C2)n1 ZINC000096206109 209135090 /nfs/dbraw/zinc/13/50/90/209135090.db2.gz HUYSYLMFGNBNHT-CTNGQTDRSA-N 2 2 352.482 3.268 40 0 FGABLP Cc1cccc(C[N@H+]2CC[C@H]3OCC[C@@]3(CCNc3cccc[nH+]3)C2)n1 ZINC000096206109 209135092 /nfs/dbraw/zinc/13/50/92/209135092.db2.gz HUYSYLMFGNBNHT-CTNGQTDRSA-N 2 2 352.482 3.268 40 0 FGABLP C[NH+](C)C[C@H]1CN(C(=O)c2cc3cc(Cl)ccc3o2)Cc2c[nH+]cn21 ZINC000248120875 496955911 /nfs/dbraw/zinc/95/59/11/496955911.db2.gz NAEJXMMVDFNIBM-HNNXBMFYSA-N 2 2 358.829 3.041 40 0 FGABLP c1ccc(-c2cc(NCCC3CC[NH2+]CC3)nc(NC3CCCC3)[nH+]2)cc1 ZINC000328999270 499010635 /nfs/dbraw/zinc/01/06/35/499010635.db2.gz JVLVQMSLGGRAQP-UHFFFAOYSA-N 2 2 365.525 3.144 40 0 FGABLP CC(C)(C)Nc1nc(NCC[NH+]2CCOCC2)cc(-c2ccccc2)[nH+]1 ZINC000243230553 209365663 /nfs/dbraw/zinc/36/56/63/209365663.db2.gz KMRFSCJUKQNSEY-UHFFFAOYSA-N 2 2 355.486 3.098 40 0 FGABLP Fc1ccccc1C[N@H+]1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC000096220776 209137305 /nfs/dbraw/zinc/13/73/05/209137305.db2.gz WTAHBMKDNCPQRI-MRXNPFEDSA-N 2 2 352.413 3.128 40 0 FGABLP Fc1ccccc1C[N@@H+]1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC000096220776 209137308 /nfs/dbraw/zinc/13/73/08/209137308.db2.gz WTAHBMKDNCPQRI-MRXNPFEDSA-N 2 2 352.413 3.128 40 0 FGABLP Cc1[nH+]ccn1Cc1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000044932694 208322671 /nfs/dbraw/zinc/32/26/71/208322671.db2.gz LIROMSUYHZJYBI-UHFFFAOYSA-N 2 2 371.444 3.356 40 0 FGABLP C[NH+](C)CCNc1nc(N2Cc3ccccc3C(C)(C)C2)cc(C2CC2)[nH+]1 ZINC000328995806 132372331 /nfs/dbraw/zinc/37/23/31/132372331.db2.gz JIJQLBJFUDQSKW-UHFFFAOYSA-N 2 2 365.525 3.047 40 0 FGABLP Cc1cccc(Nc2cc(C)[nH+]c([C@@H]3CN(C(=O)C(C)C)CCO3)c2)[nH+]1 ZINC000257240718 497395085 /nfs/dbraw/zinc/39/50/85/497395085.db2.gz HUUXBIUFIYKKIW-SFHVURJKSA-N 2 2 354.454 3.393 40 0 FGABLP Cc1[nH+]cc(-c2cncc(CC3CC[NH+](Cc4cscn4)CC3)n2)n1C ZINC000257252719 497395169 /nfs/dbraw/zinc/39/51/69/497395169.db2.gz JVXAJXFRTWJVKL-UHFFFAOYSA-N 2 2 368.510 3.097 40 0 FGABLP Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000044932543 208321740 /nfs/dbraw/zinc/32/17/40/208321740.db2.gz QCDUBFUTQBQRRC-UHFFFAOYSA-N 2 2 371.444 3.356 40 0 FGABLP C[NH+](C)Cc1ccnc([C@H]2CCC[N@@H+]2CC2=Cc3ccccc3OC2)n1 ZINC000257245764 497394685 /nfs/dbraw/zinc/39/46/85/497394685.db2.gz IQZHJYBWIHPNEV-LJQANCHMSA-N 2 2 350.466 3.151 40 0 FGABLP C[NH+](C)Cc1ccnc([C@H]2CCC[N@H+]2CC2=Cc3ccccc3OC2)n1 ZINC000257245764 497394693 /nfs/dbraw/zinc/39/46/93/497394693.db2.gz IQZHJYBWIHPNEV-LJQANCHMSA-N 2 2 350.466 3.151 40 0 FGABLP OCC[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cc(Cl)cc(Cl)c1 ZINC000624289070 571145682 /nfs/dbraw/zinc/14/56/82/571145682.db2.gz DBOAYYGZVBRDJX-QZTJIDSGSA-N 2 2 373.324 3.260 40 0 FGABLP Cc1[nH+]cc(-c2cc(CC3CC[NH+](C4CCOCC4)CC3)ccn2)n1C ZINC000257342734 210004190 /nfs/dbraw/zinc/00/41/90/210004190.db2.gz ZPXUNERTZXBNDZ-UHFFFAOYSA-N 2 2 354.498 3.224 40 0 FGABLP FC1(F)CC[N@H+](CC2CCOCC2)C[C@]12CCN(c1cccc[nH+]1)C2 ZINC000096051161 209101810 /nfs/dbraw/zinc/10/18/10/209101810.db2.gz MJPXJLUGIYQJES-SFHVURJKSA-N 2 2 351.441 3.046 40 0 FGABLP FC1(F)CC[N@@H+](CC2CCOCC2)C[C@]12CCN(c1cccc[nH+]1)C2 ZINC000096051161 209101812 /nfs/dbraw/zinc/10/18/12/209101812.db2.gz MJPXJLUGIYQJES-SFHVURJKSA-N 2 2 351.441 3.046 40 0 FGABLP Cc1[nH+]c2ccccc2n1[C@H](C)C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000019286658 494440025 /nfs/dbraw/zinc/44/00/25/494440025.db2.gz AQLZRZVJOJXQQV-IIBYNOLFSA-N 2 2 362.477 3.421 40 0 FGABLP Cc1[nH+]c2ccccc2n1[C@H](C)C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000019286658 494440027 /nfs/dbraw/zinc/44/00/27/494440027.db2.gz AQLZRZVJOJXQQV-IIBYNOLFSA-N 2 2 362.477 3.421 40 0 FGABLP CCOc1ccc(C[N@@H+]2CCc3nc([C@H]4CCC[NH+](C)C4)ncc3C2)cc1 ZINC000019533366 494447662 /nfs/dbraw/zinc/44/76/62/494447662.db2.gz CZLCWJHWNNONNS-SFHVURJKSA-N 2 2 366.509 3.243 40 0 FGABLP CCOc1ccc(C[N@H+]2CCc3nc([C@H]4CCC[NH+](C)C4)ncc3C2)cc1 ZINC000019533366 494447668 /nfs/dbraw/zinc/44/76/68/494447668.db2.gz CZLCWJHWNNONNS-SFHVURJKSA-N 2 2 366.509 3.243 40 0 FGABLP CCOc1ccc(C[NH+]2CCc3nc([C@H]4CCC[N@H+](C)C4)ncc3C2)cc1 ZINC000019533366 494447675 /nfs/dbraw/zinc/44/76/75/494447675.db2.gz CZLCWJHWNNONNS-SFHVURJKSA-N 2 2 366.509 3.243 40 0 FGABLP CCOc1ccc(C[NH+]2CCc3nc([C@H]4CCC[N@@H+](C)C4)ncc3C2)cc1 ZINC000019533366 494447677 /nfs/dbraw/zinc/44/76/77/494447677.db2.gz CZLCWJHWNNONNS-SFHVURJKSA-N 2 2 366.509 3.243 40 0 FGABLP C[NH+](C)CC[C@@H]1CN(C(=O)CCc2ccc(Cl)cc2)Cc2c[nH+]cn21 ZINC000248091061 496953935 /nfs/dbraw/zinc/95/39/35/496953935.db2.gz FPRDNLHDQGVFPD-QGZVFWFLSA-N 2 2 360.889 3.004 40 0 FGABLP C[NH+](C)CC[C@@H]1CN(C(=O)c2csc3ccccc23)Cc2c[nH+]cn21 ZINC000248137376 496962112 /nfs/dbraw/zinc/96/21/12/496962112.db2.gz RZZTYRKDWQEYQD-CQSZACIVSA-N 2 2 354.479 3.247 40 0 FGABLP COc1ncccc1C[N@@H+]1C[C@H]2Cc3[nH+]cc(-c4ccccc4)n3C[C@@H]2C1 ZINC000306129164 210051245 /nfs/dbraw/zinc/05/12/45/210051245.db2.gz HWGOUQUQAYZHKI-MOPGFXCFSA-N 2 2 360.461 3.258 40 0 FGABLP COc1ncccc1C[N@H+]1C[C@H]2Cc3[nH+]cc(-c4ccccc4)n3C[C@@H]2C1 ZINC000306129164 210051242 /nfs/dbraw/zinc/05/12/42/210051242.db2.gz HWGOUQUQAYZHKI-MOPGFXCFSA-N 2 2 360.461 3.258 40 0 FGABLP COc1cc2c(cc1-c1c[nH+]cn1CCCn1cc[nH+]c1C)OCCCO2 ZINC000019720037 211252375 /nfs/dbraw/zinc/25/23/75/211252375.db2.gz GJFPOOPXTMUICF-UHFFFAOYSA-N 2 2 368.437 3.315 40 0 FGABLP c1csc(C[N@@H+]2CCC[C@]3(C2)COCC[NH+](Cc2ccccn2)C3)c1 ZINC000096229317 222090830 /nfs/dbraw/zinc/09/08/30/222090830.db2.gz GKWXDZYIMJVOSE-HXUWFJFHSA-N 2 2 357.523 3.258 40 0 FGABLP c1csc(C[N@H+]2CCC[C@]3(C2)COCC[NH+](Cc2ccccn2)C3)c1 ZINC000096229317 222090833 /nfs/dbraw/zinc/09/08/33/222090833.db2.gz GKWXDZYIMJVOSE-HXUWFJFHSA-N 2 2 357.523 3.258 40 0 FGABLP c1csc(C[NH+]2CCC[C@]3(C2)COCC[N@H+](Cc2ccccn2)C3)c1 ZINC000096229317 222090835 /nfs/dbraw/zinc/09/08/35/222090835.db2.gz GKWXDZYIMJVOSE-HXUWFJFHSA-N 2 2 357.523 3.258 40 0 FGABLP c1csc(C[NH+]2CCC[C@]3(C2)COCC[N@@H+](Cc2ccccn2)C3)c1 ZINC000096229317 222090838 /nfs/dbraw/zinc/09/08/38/222090838.db2.gz GKWXDZYIMJVOSE-HXUWFJFHSA-N 2 2 357.523 3.258 40 0 FGABLP COc1ccc(C[N@@H+]2CCC[C@H](c3nccnc3-n3cc[nH+]c3C)C2)cc1 ZINC000072350515 494155594 /nfs/dbraw/zinc/15/55/94/494155594.db2.gz LBRLJUXAEJVIQX-SFHVURJKSA-N 2 2 363.465 3.359 40 0 FGABLP COc1ccc(C[N@H+]2CCC[C@H](c3nccnc3-n3cc[nH+]c3C)C2)cc1 ZINC000072350515 494155596 /nfs/dbraw/zinc/15/55/96/494155596.db2.gz LBRLJUXAEJVIQX-SFHVURJKSA-N 2 2 363.465 3.359 40 0 FGABLP c1cc(C[N@@H+]2CCC[C@@H]2c2nnc3n2CC[NH2+]C3)cc(OC2CCCC2)c1 ZINC000019767398 494460649 /nfs/dbraw/zinc/46/06/49/494460649.db2.gz OCZZOULOUVUZIZ-LJQANCHMSA-N 2 2 367.497 3.040 40 0 FGABLP c1cc(C[N@H+]2CCC[C@@H]2c2nnc3n2CC[NH2+]C3)cc(OC2CCCC2)c1 ZINC000019767398 494460654 /nfs/dbraw/zinc/46/06/54/494460654.db2.gz OCZZOULOUVUZIZ-LJQANCHMSA-N 2 2 367.497 3.040 40 0 FGABLP Cc1ccsc1C[N@H+]1Cc2ccnn2C[C@H](CNc2cccc[nH+]2)C1 ZINC000253598475 497345174 /nfs/dbraw/zinc/34/51/74/497345174.db2.gz BVQAEJKQGAFTAR-MRXNPFEDSA-N 2 2 353.495 3.392 40 0 FGABLP Cc1ccsc1C[N@@H+]1Cc2ccnn2C[C@H](CNc2cccc[nH+]2)C1 ZINC000253598475 497345180 /nfs/dbraw/zinc/34/51/80/497345180.db2.gz BVQAEJKQGAFTAR-MRXNPFEDSA-N 2 2 353.495 3.392 40 0 FGABLP CC[C@@H](C)Nc1nc(NCC[NH+]2CCOCC2)cc(-c2ccccc2)[nH+]1 ZINC000240762369 497351329 /nfs/dbraw/zinc/35/13/29/497351329.db2.gz ATFDEVAFTRKCDB-MRXNPFEDSA-N 2 2 355.486 3.098 40 0 FGABLP CCOc1ccc(Nc2cc(C3CC3)[nH+]c(NCCC[NH+](C)C)n2)cc1 ZINC000329054878 210134152 /nfs/dbraw/zinc/13/41/52/210134152.db2.gz VMHCTPYMQKTSID-UHFFFAOYSA-N 2 2 355.486 3.282 40 0 FGABLP CCc1cccc(C)c1Nc1cc(C2CC2)[nH+]c(NCCC[NH+](C)C)n1 ZINC000329003989 210128593 /nfs/dbraw/zinc/12/85/93/210128593.db2.gz KQEAEDMVNPTOKD-UHFFFAOYSA-N 2 2 353.514 3.176 40 0 FGABLP CNc1cc([C@H]2CCCN(C(=O)CCn3cc[nH+]c3C(C)C)C2)cc[nH+]1 ZINC000257284671 533055576 /nfs/dbraw/zinc/05/55/76/533055576.db2.gz PDTFFNSZCBNSBM-KRWDZBQOSA-N 2 2 355.486 3.240 40 0 FGABLP COc1ccccc1C[N@@H+]1CC[C@]2(C1)C[C@H](Nc1cccc[nH+]1)CCO2 ZINC000096206028 222076477 /nfs/dbraw/zinc/07/64/77/222076477.db2.gz RZKLKBJOAYHMDZ-WIYYLYMNSA-N 2 2 353.466 3.326 40 0 FGABLP COc1ccccc1C[N@H+]1CC[C@]2(C1)C[C@H](Nc1cccc[nH+]1)CCO2 ZINC000096206028 222076481 /nfs/dbraw/zinc/07/64/81/222076481.db2.gz RZKLKBJOAYHMDZ-WIYYLYMNSA-N 2 2 353.466 3.326 40 0 FGABLP O=C(C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)NCCC1=CCCCC1 ZINC000035311541 494074287 /nfs/dbraw/zinc/07/42/87/494074287.db2.gz YDBFLRNFFYTXFY-UHFFFAOYSA-N 2 2 355.526 3.247 40 0 FGABLP Cc1[nH+]ccn1-c1nccnc1[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000072350504 494156179 /nfs/dbraw/zinc/15/61/79/494156179.db2.gz CAEBPYLBWQWKCJ-KRWDZBQOSA-N 2 2 351.429 3.489 40 0 FGABLP Cc1[nH+]ccn1-c1nccnc1[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000072350504 494156184 /nfs/dbraw/zinc/15/61/84/494156184.db2.gz CAEBPYLBWQWKCJ-KRWDZBQOSA-N 2 2 351.429 3.489 40 0 FGABLP OCC[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cc(Cl)cc(Cl)c1 ZINC000624289071 571145756 /nfs/dbraw/zinc/14/57/56/571145756.db2.gz DBOAYYGZVBRDJX-ROUUACIJSA-N 2 2 373.324 3.260 40 0 FGABLP COc1ccccc1-c1c[nH+]c2n1C[C@@]1(CC[N@H+](Cc3ccccn3)C1)C2 ZINC000306143685 210058674 /nfs/dbraw/zinc/05/86/74/210058674.db2.gz YIXZZYWRJMQNTR-QFIPXVFZSA-N 2 2 360.461 3.402 40 0 FGABLP COc1ccccc1-c1c[nH+]c2n1C[C@@]1(CC[N@@H+](Cc3ccccn3)C1)C2 ZINC000306143685 210058678 /nfs/dbraw/zinc/05/86/78/210058678.db2.gz YIXZZYWRJMQNTR-QFIPXVFZSA-N 2 2 360.461 3.402 40 0 FGABLP COc1ccccc1-c1c[nH+]c2n1C[C@]1(CC[N@H+](Cc3cccnc3)C1)C2 ZINC000306143666 210057208 /nfs/dbraw/zinc/05/72/08/210057208.db2.gz YIMBSWNVORRCCR-JOCHJYFZSA-N 2 2 360.461 3.402 40 0 FGABLP COc1ccccc1-c1c[nH+]c2n1C[C@]1(CC[N@@H+](Cc3cccnc3)C1)C2 ZINC000306143666 210057213 /nfs/dbraw/zinc/05/72/13/210057213.db2.gz YIMBSWNVORRCCR-JOCHJYFZSA-N 2 2 360.461 3.402 40 0 FGABLP Cc1[nH+]cc(-c2nccnc2CC2CC[NH+](Cc3cscn3)CC2)n1C ZINC000257244252 223034263 /nfs/dbraw/zinc/03/42/63/223034263.db2.gz IKNXQECGTTXURW-UHFFFAOYSA-N 2 2 368.510 3.097 40 0 FGABLP Cc1[nH+]cc(-c2nccnc2CC2CC[NH+](Cc3cccnc3)CC2)n1C ZINC000257271892 223046222 /nfs/dbraw/zinc/04/62/22/223046222.db2.gz NAFOGGRPVDDWIR-UHFFFAOYSA-N 2 2 362.481 3.035 40 0 FGABLP Clc1ccc(C[N@@H+]2CCC[C@H](c3cncc(-n4cc[nH+]c4)n3)C2)nc1 ZINC000257341612 223072442 /nfs/dbraw/zinc/07/24/42/223072442.db2.gz ZLBKWHVLUYNFRM-AWEZNQCLSA-N 2 2 354.845 3.090 40 0 FGABLP Clc1ccc(C[N@H+]2CCC[C@H](c3cncc(-n4cc[nH+]c4)n3)C2)nc1 ZINC000257341612 223072443 /nfs/dbraw/zinc/07/24/43/223072443.db2.gz ZLBKWHVLUYNFRM-AWEZNQCLSA-N 2 2 354.845 3.090 40 0 FGABLP Cc1[nH+]ccn1Cc1ccccc1C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000019288232 211212826 /nfs/dbraw/zinc/21/28/26/211212826.db2.gz DXBPJCRAKIFLDG-QFIPXVFZSA-N 2 2 374.488 3.369 40 0 FGABLP Cc1[nH+]ccn1Cc1ccccc1C(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000019288232 211212827 /nfs/dbraw/zinc/21/28/27/211212827.db2.gz DXBPJCRAKIFLDG-QFIPXVFZSA-N 2 2 374.488 3.369 40 0 FGABLP Fc1ccc(C[N@H+]2C[C@H]3c4ccccc4[C@H]([NH+]4CCOCC4)[C@H]3C2)cc1 ZINC000096058345 222006652 /nfs/dbraw/zinc/00/66/52/222006652.db2.gz KXEIOMGFPBFSSC-FKBYEOEOSA-N 2 2 352.453 3.428 40 0 FGABLP Fc1ccc(C[N@@H+]2C[C@H]3c4ccccc4[C@H]([NH+]4CCOCC4)[C@H]3C2)cc1 ZINC000096058345 222006654 /nfs/dbraw/zinc/00/66/54/222006654.db2.gz KXEIOMGFPBFSSC-FKBYEOEOSA-N 2 2 352.453 3.428 40 0 FGABLP COc1ccc(C[N@@H+]2CCOC[C@]3(CC[NH+](Cc4cccs4)C3)C2)cc1 ZINC000096062404 222008708 /nfs/dbraw/zinc/00/87/08/222008708.db2.gz HOGMRNNLBUQERZ-NRFANRHFSA-N 2 2 372.534 3.481 40 0 FGABLP COc1ccc(C[N@H+]2CCOC[C@]3(CC[NH+](Cc4cccs4)C3)C2)cc1 ZINC000096062404 222008710 /nfs/dbraw/zinc/00/87/10/222008710.db2.gz HOGMRNNLBUQERZ-NRFANRHFSA-N 2 2 372.534 3.481 40 0 FGABLP COc1ccc(C[NH+]2CCOC[C@]3(CC[N@H+](Cc4cccs4)C3)C2)cc1 ZINC000096062404 222008713 /nfs/dbraw/zinc/00/87/13/222008713.db2.gz HOGMRNNLBUQERZ-NRFANRHFSA-N 2 2 372.534 3.481 40 0 FGABLP COc1ccc(C[NH+]2CCOC[C@]3(CC[N@@H+](Cc4cccs4)C3)C2)cc1 ZINC000096062404 222008716 /nfs/dbraw/zinc/00/87/16/222008716.db2.gz HOGMRNNLBUQERZ-NRFANRHFSA-N 2 2 372.534 3.481 40 0 FGABLP CCN1CCCc2cc(-c3c[nH+]cn3[C@H](C)C[NH+]3CCOCC3)ccc21 ZINC000019719412 494458554 /nfs/dbraw/zinc/45/85/54/494458554.db2.gz YGHRBYUDZVLFNF-QGZVFWFLSA-N 2 2 354.498 3.216 40 0 FGABLP Cc1cccc(Cl)c1Nc1cc(C2CC2)[nH+]c(NCCC[NH+](C)C)n1 ZINC000329029751 210131373 /nfs/dbraw/zinc/13/13/73/210131373.db2.gz QATQLKSXIZXWAU-UHFFFAOYSA-N 2 2 359.905 3.267 40 0 FGABLP FC1(F)CC[N@H+](CC2CCOCC2)C[C@@]12CCN(c1cccc[nH+]1)C2 ZINC000096051162 222001691 /nfs/dbraw/zinc/00/16/91/222001691.db2.gz MJPXJLUGIYQJES-GOSISDBHSA-N 2 2 351.441 3.046 40 0 FGABLP FC1(F)CC[N@@H+](CC2CCOCC2)C[C@@]12CCN(c1cccc[nH+]1)C2 ZINC000096051162 222001694 /nfs/dbraw/zinc/00/16/94/222001694.db2.gz MJPXJLUGIYQJES-GOSISDBHSA-N 2 2 351.441 3.046 40 0 FGABLP Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CC[NH+](Cc3cccs3)C2)C1 ZINC000096062399 222009518 /nfs/dbraw/zinc/00/95/18/222009518.db2.gz OKXHOKGTJVQQHC-LJQANCHMSA-N 2 2 361.511 3.077 40 0 FGABLP Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CC[NH+](Cc3cccs3)C2)C1 ZINC000096062399 222009522 /nfs/dbraw/zinc/00/95/22/222009522.db2.gz OKXHOKGTJVQQHC-LJQANCHMSA-N 2 2 361.511 3.077 40 0 FGABLP Cc1noc(C)c1C[NH+]1CCOC[C@@]2(CC[N@H+](Cc3cccs3)C2)C1 ZINC000096062399 222009525 /nfs/dbraw/zinc/00/95/25/222009525.db2.gz OKXHOKGTJVQQHC-LJQANCHMSA-N 2 2 361.511 3.077 40 0 FGABLP Cc1noc(C)c1C[NH+]1CCOC[C@@]2(CC[N@@H+](Cc3cccs3)C2)C1 ZINC000096062399 222009527 /nfs/dbraw/zinc/00/95/27/222009527.db2.gz OKXHOKGTJVQQHC-LJQANCHMSA-N 2 2 361.511 3.077 40 0 FGABLP Cc1c(C[N@@H+]2[C@H](Cc3ccccc3)C[C@@H]3[NH2+]CCCCC[C@H]32)cnn1C ZINC000019712910 494455818 /nfs/dbraw/zinc/45/58/18/494455818.db2.gz DHDVLABAYJDSQP-BHIFYINESA-N 2 2 352.526 3.446 40 0 FGABLP Cc1c(C[N@H+]2[C@H](Cc3ccccc3)C[C@@H]3[NH2+]CCCCC[C@H]32)cnn1C ZINC000019712910 494455824 /nfs/dbraw/zinc/45/58/24/494455824.db2.gz DHDVLABAYJDSQP-BHIFYINESA-N 2 2 352.526 3.446 40 0 FGABLP C[N@H+](CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3[NH+](C)C2)Cc1ccccc1F ZINC000257320135 497401735 /nfs/dbraw/zinc/40/17/35/497401735.db2.gz VVMYQSXPRXJGCJ-ZJDLJICXSA-N 2 2 373.516 3.121 40 0 FGABLP C[N@@H+](CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3[NH+](C)C2)Cc1ccccc1F ZINC000257320135 497401740 /nfs/dbraw/zinc/40/17/40/497401740.db2.gz VVMYQSXPRXJGCJ-ZJDLJICXSA-N 2 2 373.516 3.121 40 0 FGABLP C[NH+](CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3[N@H+](C)C2)Cc1ccccc1F ZINC000257320135 497401744 /nfs/dbraw/zinc/40/17/44/497401744.db2.gz VVMYQSXPRXJGCJ-ZJDLJICXSA-N 2 2 373.516 3.121 40 0 FGABLP C[NH+](CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3[N@@H+](C)C2)Cc1ccccc1F ZINC000257320135 497401747 /nfs/dbraw/zinc/40/17/47/497401747.db2.gz VVMYQSXPRXJGCJ-ZJDLJICXSA-N 2 2 373.516 3.121 40 0 FGABLP c1cc2n(c1)C[C@H](CCNc1cccc[nH+]1)C[N@@H+](CC1CCOCC1)C2 ZINC000585095308 507566685 /nfs/dbraw/zinc/56/66/85/507566685.db2.gz ORHPRBKXWFQEQX-LJQANCHMSA-N 2 2 354.498 3.244 40 0 FGABLP c1cc2n(c1)C[C@H](CCNc1cccc[nH+]1)C[N@H+](CC1CCOCC1)C2 ZINC000585095308 507566689 /nfs/dbraw/zinc/56/66/89/507566689.db2.gz ORHPRBKXWFQEQX-LJQANCHMSA-N 2 2 354.498 3.244 40 0 FGABLP Cc1csc2c([C@H]3CCCN(C(=O)CCn4cc[nH+]c4)C3)[nH+]c(C)n12 ZINC000019240417 211212296 /nfs/dbraw/zinc/21/22/96/211212296.db2.gz KLLRMZUTINKWHJ-HNNXBMFYSA-N 2 2 357.483 3.005 40 0 FGABLP C1=C[C@H]2C[C@@H]1C[C@H]2C[NH+]1CCC([NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000004712110 493888863 /nfs/dbraw/zinc/88/88/63/493888863.db2.gz IDTNYARQDYXIEF-HKBOAZHASA-N 2 2 351.538 3.485 40 0 FGABLP C[NH+](C)CCCNc1nc(Nc2c(F)cccc2Cl)cc(C2CC2)[nH+]1 ZINC000328957087 210124512 /nfs/dbraw/zinc/12/45/12/210124512.db2.gz AJDFOYCSMUSERB-UHFFFAOYSA-N 2 2 363.868 3.098 40 0 FGABLP O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000060626476 212023528 /nfs/dbraw/zinc/02/35/28/212023528.db2.gz ZMIKWBYZZDIJRP-UHFFFAOYSA-N 2 2 374.488 3.110 40 0 FGABLP O=C(NCCC[N@H+]1CCc2ccccc2C1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000060626476 212023531 /nfs/dbraw/zinc/02/35/31/212023531.db2.gz ZMIKWBYZZDIJRP-UHFFFAOYSA-N 2 2 374.488 3.110 40 0 FGABLP CCc1[nH+]c2ccccc2n1[C@@H](C)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000019666271 211245625 /nfs/dbraw/zinc/24/56/25/211245625.db2.gz FEKOCYUMHYXNHY-INIZCTEOSA-N 2 2 356.514 3.350 40 0 FGABLP c1cc2n(c1)C[C@@H](CCNc1cccc[nH+]1)C[N@@H+](CC1CCOCC1)C2 ZINC000585095307 507566494 /nfs/dbraw/zinc/56/64/94/507566494.db2.gz ORHPRBKXWFQEQX-IBGZPJMESA-N 2 2 354.498 3.244 40 0 FGABLP c1cc2n(c1)C[C@@H](CCNc1cccc[nH+]1)C[N@H+](CC1CCOCC1)C2 ZINC000585095307 507566499 /nfs/dbraw/zinc/56/64/99/507566499.db2.gz ORHPRBKXWFQEQX-IBGZPJMESA-N 2 2 354.498 3.244 40 0 FGABLP Cc1[nH+]cc(-c2cncc(CC3CC[NH+](Cc4cccnc4)CC3)n2)n1C ZINC000257283699 534722380 /nfs/dbraw/zinc/72/23/80/534722380.db2.gz OZLBICBXRSLZKC-UHFFFAOYSA-N 2 2 362.481 3.035 40 0 FGABLP Cc1cc(O[C@@H]2C[C@@H]([NH3+])[C@H]([N@H+](C)Cc3ccccc3)[C@H]2O)cc(C(C)C)c1 ZINC000257236080 534030125 /nfs/dbraw/zinc/03/01/25/534030125.db2.gz HASACLUVVIDGED-LUKWVAJMSA-N 2 2 368.521 3.458 40 0 FGABLP Cc1cc(O[C@@H]2C[C@@H]([NH3+])[C@H]([N@@H+](C)Cc3ccccc3)[C@H]2O)cc(C(C)C)c1 ZINC000257236080 534030135 /nfs/dbraw/zinc/03/01/35/534030135.db2.gz HASACLUVVIDGED-LUKWVAJMSA-N 2 2 368.521 3.458 40 0 FGABLP COc1cc(C[N@@H+]2CCC[C@H]2c2nc(C)ncc2C[NH+](C)C)ccc1F ZINC000257241813 223034646 /nfs/dbraw/zinc/03/46/46/223034646.db2.gz HZSFPPZGVUKXAQ-SFHVURJKSA-N 2 2 358.461 3.331 40 0 FGABLP COc1cc(C[N@H+]2CCC[C@H]2c2nc(C)ncc2C[NH+](C)C)ccc1F ZINC000257241813 223034648 /nfs/dbraw/zinc/03/46/48/223034648.db2.gz HZSFPPZGVUKXAQ-SFHVURJKSA-N 2 2 358.461 3.331 40 0 FGABLP Cc1[nH+]c2ccccc2n1[C@H](C)C(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000248082614 496953429 /nfs/dbraw/zinc/95/34/29/496953429.db2.gz AQLZRZVJOJXQQV-IERDGZPVSA-N 2 2 362.477 3.421 40 0 FGABLP Cc1[nH+]c2ccccc2n1[C@H](C)C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000248082614 496953433 /nfs/dbraw/zinc/95/34/33/496953433.db2.gz AQLZRZVJOJXQQV-IERDGZPVSA-N 2 2 362.477 3.421 40 0 FGABLP C[NH+](C)CC[C@H]1CN(C(=O)c2csc3ccccc23)Cc2c[nH+]cn21 ZINC000248137370 496962152 /nfs/dbraw/zinc/96/21/52/496962152.db2.gz RZZTYRKDWQEYQD-AWEZNQCLSA-N 2 2 354.479 3.247 40 0 FGABLP C[NH+](C)CCCNc1nc(NC[C@H]2CCCO2)cc(-c2ccccc2)[nH+]1 ZINC000243330379 497358322 /nfs/dbraw/zinc/35/83/22/497358322.db2.gz LOMQBLGGFQCHHD-QGZVFWFLSA-N 2 2 355.486 3.098 40 0 FGABLP CCc1[nH+]c2ccccc2n1C[C@H](C)C(=O)N1CCC[C@@H](C[NH+](C)C)C1 ZINC000019523266 220265272 /nfs/dbraw/zinc/26/52/72/220265272.db2.gz BUTSSRPTLWDRTJ-IRXDYDNUSA-N 2 2 356.514 3.035 40 0 FGABLP FC1(F)CC[N@H+](Cc2ccncc2)C[C@]12CC[NH+](Cc1ccccn1)C2 ZINC000096239800 222094934 /nfs/dbraw/zinc/09/49/34/222094934.db2.gz UIVNGWMALJSRNJ-IBGZPJMESA-N 2 2 358.436 3.210 40 0 FGABLP FC1(F)CC[N@@H+](Cc2ccncc2)C[C@]12CC[NH+](Cc1ccccn1)C2 ZINC000096239800 222094936 /nfs/dbraw/zinc/09/49/36/222094936.db2.gz UIVNGWMALJSRNJ-IBGZPJMESA-N 2 2 358.436 3.210 40 0 FGABLP FC1(F)CC[NH+](Cc2ccncc2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC000096239800 222094939 /nfs/dbraw/zinc/09/49/39/222094939.db2.gz UIVNGWMALJSRNJ-IBGZPJMESA-N 2 2 358.436 3.210 40 0 FGABLP FC1(F)CC[NH+](Cc2ccncc2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC000096239800 222094943 /nfs/dbraw/zinc/09/49/43/222094943.db2.gz UIVNGWMALJSRNJ-IBGZPJMESA-N 2 2 358.436 3.210 40 0 FGABLP C[C@H]1CCCN(c2ncc(-c3c[nH+]cn3CC[N@H+](C)C3CCCC3)cn2)C1 ZINC000019720001 494458863 /nfs/dbraw/zinc/45/88/63/494458863.db2.gz PQJHQMNFYKOLDI-KRWDZBQOSA-N 2 2 368.529 3.451 40 0 FGABLP C[C@H]1CCCN(c2ncc(-c3c[nH+]cn3CC[N@@H+](C)C3CCCC3)cn2)C1 ZINC000019720001 494458866 /nfs/dbraw/zinc/45/88/66/494458866.db2.gz PQJHQMNFYKOLDI-KRWDZBQOSA-N 2 2 368.529 3.451 40 0 FGABLP C[C@H]1CCCC[NH+]1Cc1nnc(C[N@H+]2CCCC[C@@H]2C)n1-n1cccc1 ZINC000260574435 497406443 /nfs/dbraw/zinc/40/64/43/497406443.db2.gz YYMKLJRNCLOCAZ-ROUUACIJSA-N 2 2 356.518 3.140 40 0 FGABLP C[C@H]1CCCC[NH+]1Cc1nnc(C[N@@H+]2CCCC[C@@H]2C)n1-n1cccc1 ZINC000260574435 497406447 /nfs/dbraw/zinc/40/64/47/497406447.db2.gz YYMKLJRNCLOCAZ-ROUUACIJSA-N 2 2 356.518 3.140 40 0 FGABLP CC(C)c1[nH+]ccn1CCC(=O)N1CCC[C@H]1c1cc[nH+]c(N(C)C)c1 ZINC000257331563 528368308 /nfs/dbraw/zinc/36/83/08/528368308.db2.gz XTJJOPKYVSKBHL-KRWDZBQOSA-N 2 2 355.486 3.221 40 0 FGABLP Cc1nc2c(n1CC1CC1)C[N@@H+](Cc1ccoc1)CC21CC[NH+](C)CC1 ZINC000306132294 223109808 /nfs/dbraw/zinc/10/98/08/223109808.db2.gz LEHQVNXTMXOIHH-UHFFFAOYSA-N 2 2 354.498 3.174 40 0 FGABLP Cc1nc2c(n1CC1CC1)C[N@H+](Cc1ccoc1)CC21CC[NH+](C)CC1 ZINC000306132294 223109809 /nfs/dbraw/zinc/10/98/09/223109809.db2.gz LEHQVNXTMXOIHH-UHFFFAOYSA-N 2 2 354.498 3.174 40 0 FGABLP COc1ccc2[nH]c(C[NH+]3CCC([NH+]4C[C@@H](C)O[C@H](C)C4)CC3)cc2c1 ZINC000019497378 220263603 /nfs/dbraw/zinc/26/36/03/220263603.db2.gz QXJUVXWLNPJYJH-HZPDHXFCSA-N 2 2 357.498 3.250 40 0 FGABLP Cc1nc2ccccc2n1Cc1cc(NC[C@@H]2CCC[N@@H+](C)C2)nc(C)[nH+]1 ZINC000019655895 220281413 /nfs/dbraw/zinc/28/14/13/220281413.db2.gz DHLRTRNMQMIEKP-KRWDZBQOSA-N 2 2 364.497 3.245 40 0 FGABLP Cc1nc2ccccc2n1Cc1cc(NC[C@@H]2CCC[N@H+](C)C2)nc(C)[nH+]1 ZINC000019655895 220281415 /nfs/dbraw/zinc/28/14/15/220281415.db2.gz DHLRTRNMQMIEKP-KRWDZBQOSA-N 2 2 364.497 3.245 40 0 FGABLP Cc1[nH+]ccn1-c1nccnc1[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000072350503 494155768 /nfs/dbraw/zinc/15/57/68/494155768.db2.gz CAEBPYLBWQWKCJ-QGZVFWFLSA-N 2 2 351.429 3.489 40 0 FGABLP Cc1[nH+]ccn1-c1nccnc1[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000072350503 494155772 /nfs/dbraw/zinc/15/57/72/494155772.db2.gz CAEBPYLBWQWKCJ-QGZVFWFLSA-N 2 2 351.429 3.489 40 0 FGABLP Clc1ccc2c(c1)NC1(CC[NH+](Cc3cccnc3)CC1)N1CC[NH+]=C21 ZINC000012086107 494202658 /nfs/dbraw/zinc/20/26/58/494202658.db2.gz FLBXZPKIJCKQCT-UHFFFAOYSA-N 2 2 367.884 3.215 40 0 FGABLP C[NH+](C)CCCNc1nc(Nc2ccc(F)c(Cl)c2)cc(C2CC2)[nH+]1 ZINC000329052657 223131197 /nfs/dbraw/zinc/13/11/97/223131197.db2.gz VDSPTPMUXSXFNE-UHFFFAOYSA-N 2 2 363.868 3.098 40 0 FGABLP Cc1cccc(C[N@@H+](C)Cc2cc(N(C)C)nc([C@@H]3CCCC[NH2+]3)n2)c1 ZINC000019709863 220288855 /nfs/dbraw/zinc/28/88/55/220288855.db2.gz SJEBAFDTWGFOBG-IBGZPJMESA-N 2 2 353.514 3.298 40 0 FGABLP Cc1cccc(C[N@H+](C)Cc2cc(N(C)C)nc([C@@H]3CCCC[NH2+]3)n2)c1 ZINC000019709863 220288856 /nfs/dbraw/zinc/28/88/56/220288856.db2.gz SJEBAFDTWGFOBG-IBGZPJMESA-N 2 2 353.514 3.298 40 0 FGABLP CN(C)c1cc([C@@H]2CCCN2C(=O)c2ccc(C[NH+](C)C)cc2)cc[nH+]1 ZINC000257219032 223025070 /nfs/dbraw/zinc/02/50/70/223025070.db2.gz DFIPMMKNIRNLFP-IBGZPJMESA-N 2 2 352.482 3.187 40 0 FGABLP C[NH+](C)CCCNc1nc(Nc2cc(Cl)ccc2F)cc(C2CC2)[nH+]1 ZINC000329042603 223130886 /nfs/dbraw/zinc/13/08/86/223130886.db2.gz SOWSPJGVTXKZLW-UHFFFAOYSA-N 2 2 363.868 3.098 40 0 FGABLP CC[NH+](CC)CN1c2ccccc2[C@]2([NH2+]CCc3c4ccccc4[nH]c32)C1=O ZINC000013635173 220080824 /nfs/dbraw/zinc/08/08/24/220080824.db2.gz PAGSUPZQAWVOKD-HSZRJFAPSA-N 2 2 374.488 3.203 40 0 FGABLP COc1ccc2[nH]c(C[NH+]3CCC([NH+]4C[C@H](C)O[C@@H](C)C4)CC3)cc2c1 ZINC000019497377 220264109 /nfs/dbraw/zinc/26/41/09/220264109.db2.gz QXJUVXWLNPJYJH-HOTGVXAUSA-N 2 2 357.498 3.250 40 0 FGABLP C[NH+]1CCC([N@@H+]2CC[C@H](c3nc4cc(C(F)(F)F)ccc4[nH]3)C2)CC1 ZINC000035446696 494077620 /nfs/dbraw/zinc/07/76/20/494077620.db2.gz FSEWQFCCBYYDSS-LBPRGKRZSA-N 2 2 352.404 3.465 40 0 biogenic,in-vitro FGABLP C[NH+]1CCC([N@H+]2CC[C@H](c3nc4cc(C(F)(F)F)ccc4[nH]3)C2)CC1 ZINC000035446696 494077623 /nfs/dbraw/zinc/07/76/23/494077623.db2.gz FSEWQFCCBYYDSS-LBPRGKRZSA-N 2 2 352.404 3.465 40 0 biogenic,in-vitro FGABLP C[NH+]1CCC([N@@H+]2CC[C@H](c3nc4ccc(C(F)(F)F)cc4[nH]3)C2)CC1 ZINC000035446696 494077628 /nfs/dbraw/zinc/07/76/28/494077628.db2.gz FSEWQFCCBYYDSS-LBPRGKRZSA-N 2 2 352.404 3.465 40 0 biogenic,in-vitro FGABLP C[NH+]1CCC([N@H+]2CC[C@H](c3nc4ccc(C(F)(F)F)cc4[nH]3)C2)CC1 ZINC000035446696 494077629 /nfs/dbraw/zinc/07/76/29/494077629.db2.gz FSEWQFCCBYYDSS-LBPRGKRZSA-N 2 2 352.404 3.465 40 0 biogenic,in-vitro FGABLP COc1ccccc1-c1c[nH+]c2n1C[C@]1(CC[N@H+](Cc3ccccn3)C1)C2 ZINC000306143684 533913426 /nfs/dbraw/zinc/91/34/26/533913426.db2.gz YIXZZYWRJMQNTR-JOCHJYFZSA-N 2 2 360.461 3.402 40 0 FGABLP COc1ccccc1-c1c[nH+]c2n1C[C@]1(CC[N@@H+](Cc3ccccn3)C1)C2 ZINC000306143684 533913439 /nfs/dbraw/zinc/91/34/39/533913439.db2.gz YIXZZYWRJMQNTR-JOCHJYFZSA-N 2 2 360.461 3.402 40 0 FGABLP CN(C)c1cc([C@H]2CCCN2C(=O)c2ccc(C[NH+](C)C)cc2)cc[nH+]1 ZINC000257219033 223024697 /nfs/dbraw/zinc/02/46/97/223024697.db2.gz DFIPMMKNIRNLFP-LJQANCHMSA-N 2 2 352.482 3.187 40 0 FGABLP CNc1cc([C@@H]2CCCN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)cc[nH+]1 ZINC000257225065 533053660 /nfs/dbraw/zinc/05/36/60/533053660.db2.gz FERHUDWIFPXEMW-LJQANCHMSA-N 2 2 352.482 3.205 40 0 FGABLP O=C(NCc1ccccc1-n1cc[nH+]c1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000030873198 220629589 /nfs/dbraw/zinc/62/95/89/220629589.db2.gz HGNMPVKVSWDYES-UHFFFAOYSA-N 2 2 360.461 3.398 40 0 FGABLP Cc1cc(C[N@H+]2Cc3cccn3C[C@@H](CCNc3cccc[nH+]3)C2)n(C)n1 ZINC000585095558 507566217 /nfs/dbraw/zinc/56/62/17/507566217.db2.gz WXQZKBNTRJAADY-SFHVURJKSA-N 2 2 364.497 3.059 40 0 FGABLP Cc1cc(C[N@@H+]2Cc3cccn3C[C@@H](CCNc3cccc[nH+]3)C2)n(C)n1 ZINC000585095558 507566222 /nfs/dbraw/zinc/56/62/22/507566222.db2.gz WXQZKBNTRJAADY-SFHVURJKSA-N 2 2 364.497 3.059 40 0 FGABLP COc1ccc(-c2c[nH+]c3n2C[C@@H]2C[N@@H+](Cc4ccccn4)C[C@H]2C3)cc1 ZINC000306126256 223106916 /nfs/dbraw/zinc/10/69/16/223106916.db2.gz DQYZLQZDJUSFPC-MSOLQXFVSA-N 2 2 360.461 3.258 40 0 FGABLP COc1ccc(-c2c[nH+]c3n2C[C@@H]2C[N@H+](Cc4ccccn4)C[C@H]2C3)cc1 ZINC000306126256 223106920 /nfs/dbraw/zinc/10/69/20/223106920.db2.gz DQYZLQZDJUSFPC-MSOLQXFVSA-N 2 2 360.461 3.258 40 0 FGABLP COc1ccc(-c2c[nH+]c3n2C[C@@H]2C[N@@H+](Cc4cccnc4)C[C@H]2C3)cc1 ZINC000306142753 223114876 /nfs/dbraw/zinc/11/48/76/223114876.db2.gz XIJXTRFPPCNVSN-MOPGFXCFSA-N 2 2 360.461 3.258 40 0 FGABLP COc1ccc(-c2c[nH+]c3n2C[C@@H]2C[N@H+](Cc4cccnc4)C[C@H]2C3)cc1 ZINC000306142753 223114879 /nfs/dbraw/zinc/11/48/79/223114879.db2.gz XIJXTRFPPCNVSN-MOPGFXCFSA-N 2 2 360.461 3.258 40 0 FGABLP C[NH+](C)CCCNc1nc(Nc2ccc(O)cc2)cc(-c2ccccc2)[nH+]1 ZINC000329018365 223129444 /nfs/dbraw/zinc/12/94/44/223129444.db2.gz NQXLJODTMCLUJJ-UHFFFAOYSA-N 2 2 363.465 3.378 40 0 FGABLP Cc1csc2c(C3CCN(C(=O)CCCn4cc[nH+]c4)CC3)[nH+]c(C)n12 ZINC000019240544 220243386 /nfs/dbraw/zinc/24/33/86/220243386.db2.gz UDCSUIAVVCXPFM-UHFFFAOYSA-N 2 2 371.510 3.396 40 0 FGABLP COc1c(C[N@@H+]2CCC[C@H](Cc3[nH]c4ccccc4[nH+]3)C2)c(C)nn1C ZINC000019654488 220280057 /nfs/dbraw/zinc/28/00/57/220280057.db2.gz BTGDAQSNBSBHKP-OAHLLOKOSA-N 2 2 353.470 3.068 40 0 FGABLP COc1c(C[N@H+]2CCC[C@H](Cc3[nH]c4ccccc4[nH+]3)C2)c(C)nn1C ZINC000019654488 220280061 /nfs/dbraw/zinc/28/00/61/220280061.db2.gz BTGDAQSNBSBHKP-OAHLLOKOSA-N 2 2 353.470 3.068 40 0 FGABLP CCOC(=O)[C@@]12C[N@H+](CC(C)C)C[C@@H]1C[NH+](Cc1ccsc1)CCC2 ZINC000096055926 222004506 /nfs/dbraw/zinc/00/45/06/222004506.db2.gz SEGQCQOWCKEPCO-ICSRJNTNSA-N 2 2 364.555 3.481 40 0 FGABLP CCOC(=O)[C@@]12C[N@@H+](CC(C)C)C[C@@H]1C[NH+](Cc1ccsc1)CCC2 ZINC000096055926 222004508 /nfs/dbraw/zinc/00/45/08/222004508.db2.gz SEGQCQOWCKEPCO-ICSRJNTNSA-N 2 2 364.555 3.481 40 0 FGABLP CCOC(=O)[C@@]12C[NH+](CC(C)C)C[C@@H]1C[N@H+](Cc1ccsc1)CCC2 ZINC000096055926 222004513 /nfs/dbraw/zinc/00/45/13/222004513.db2.gz SEGQCQOWCKEPCO-ICSRJNTNSA-N 2 2 364.555 3.481 40 0 FGABLP CCOC(=O)[C@@]12C[NH+](CC(C)C)C[C@@H]1C[N@@H+](Cc1ccsc1)CCC2 ZINC000096055926 222004516 /nfs/dbraw/zinc/00/45/16/222004516.db2.gz SEGQCQOWCKEPCO-ICSRJNTNSA-N 2 2 364.555 3.481 40 0 FGABLP C[NH+]1CCC([N@@H+]2CC[C@H](c3nnc(Cc4c[nH]c5ccccc45)o3)C2)CC1 ZINC000049169763 221020140 /nfs/dbraw/zinc/02/01/40/221020140.db2.gz RGTUGISRLXOOQI-HNNXBMFYSA-N 2 2 365.481 3.025 40 0 biogenic,in-vitro FGABLP C[NH+]1CCC([N@H+]2CC[C@H](c3nnc(Cc4c[nH]c5ccccc45)o3)C2)CC1 ZINC000049169763 221020143 /nfs/dbraw/zinc/02/01/43/221020143.db2.gz RGTUGISRLXOOQI-HNNXBMFYSA-N 2 2 365.481 3.025 40 0 biogenic,in-vitro FGABLP Cc1cccc(N2CCc3[nH+]c(N4CCCC4)nc(NC(C)C)c3C2)[nH+]1 ZINC000096083705 132218793 /nfs/dbraw/zinc/21/87/93/132218793.db2.gz MIHGHMDKBUBAKV-UHFFFAOYSA-N 2 2 352.486 3.163 40 0 FGABLP c1ccc(OCC[N@@H+]2CCC[C@]3(CC[NH+](Cc4ccccn4)C3)C2)cc1 ZINC000096216292 222081451 /nfs/dbraw/zinc/08/14/51/222081451.db2.gz ZPLOXTOUWXKXDZ-QFIPXVFZSA-N 2 2 351.494 3.449 40 0 FGABLP c1ccc(OCC[N@H+]2CCC[C@]3(CC[NH+](Cc4ccccn4)C3)C2)cc1 ZINC000096216292 222081454 /nfs/dbraw/zinc/08/14/54/222081454.db2.gz ZPLOXTOUWXKXDZ-QFIPXVFZSA-N 2 2 351.494 3.449 40 0 FGABLP c1ccc(OCC[NH+]2CCC[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)cc1 ZINC000096216292 222081456 /nfs/dbraw/zinc/08/14/56/222081456.db2.gz ZPLOXTOUWXKXDZ-QFIPXVFZSA-N 2 2 351.494 3.449 40 0 FGABLP c1ccc(OCC[NH+]2CCC[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)cc1 ZINC000096216292 222081458 /nfs/dbraw/zinc/08/14/58/222081458.db2.gz ZPLOXTOUWXKXDZ-QFIPXVFZSA-N 2 2 351.494 3.449 40 0 FGABLP Nc1cc(-c2c[nH]nc2[C@@H]2CC[N@H+](CCOCc3ccccc3)C2)cc[nH+]1 ZINC000072370834 494159786 /nfs/dbraw/zinc/15/97/86/494159786.db2.gz OGRUSMPENHMUHG-GOSISDBHSA-N 2 2 363.465 3.060 40 0 FGABLP Nc1cc(-c2c[nH]nc2[C@@H]2CC[N@@H+](CCOCc3ccccc3)C2)cc[nH+]1 ZINC000072370834 494159795 /nfs/dbraw/zinc/15/97/95/494159795.db2.gz OGRUSMPENHMUHG-GOSISDBHSA-N 2 2 363.465 3.060 40 0 FGABLP CCN1CCn2c(C)c[nH+]c2C12CC[NH+](Cc1ccc(OC)cc1)CC2 ZINC000096037060 494997565 /nfs/dbraw/zinc/99/75/65/494997565.db2.gz PIGHVUDLIIANPP-UHFFFAOYSA-N 2 2 354.498 3.027 40 0 FGABLP