smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(C=C2C[N@H+](C)C[C@@H]3C2=NC(=S)N[C@@H]3c2ccc(C)cc2)cc1 ZINC000006522398 204182934 /nfs/dbraw/zinc/18/29/34/204182934.db2.gz TWQNLQSVHIFNMC-LDZGDMBKSA-N 1 0 375.541 4.319 1 0 GIAFRO O[C@@]12CCCC[C@@H]1[C@@H](c1ccc3c(c1)OCO3)[N@H+](Cc1cccc(F)c1)CC2 ZINC000006576853 204184791 /nfs/dbraw/zinc/18/47/91/204184791.db2.gz ORZUIMGMXAQGPX-UEVCKROQSA-N 1 0 383.463 4.423 1 0 GIAFRO COc1cc(O)c([C@H](CC[NH+]2CCCCC2)c2ccc(N(C)C)cc2)c(OC)c1 ZINC000013661554 204501328 /nfs/dbraw/zinc/50/13/28/204501328.db2.gz DWSRMWUPMULWMS-OAQYLSRUSA-N 1 0 398.547 4.483 3 0 GIAFRO O=C1NCN(c2ccccc2)C12CC[NH+]([C@@H]1CCCc3c(Cl)cccc31)CC2 ZINC000028886359 204883194 /nfs/dbraw/zinc/88/31/94/204883194.db2.gz PHIUGKIKOMWSRX-OAQYLSRUSA-N 1 0 395.934 4.146 1 0 GIAFRO O=C(Nc1sc2c(c1-c1nc3ccccc3s1)CC[NH2+]C2)C(F)(F)F ZINC000036381539 205015335 /nfs/dbraw/zinc/01/53/35/205015335.db2.gz QACOGNLQPASLTK-UHFFFAOYSA-N 1 0 383.420 4.171 3 0 GIAFRO COc1ccc(N2CCc3c2[nH+]ccc3-n2ccc(-c3nccs3)n2)c(C)c1 ZINC000040392940 205062277 /nfs/dbraw/zinc/06/22/77/205062277.db2.gz HMVLOWFVCNHGKR-UHFFFAOYSA-N 1 0 389.484 4.402 1 0 GIAFRO O=C(NCC1CC1)C1CC[NH+]([C@@H](c2ccccc2)c2cc(F)cc(F)c2)CC1 ZINC000045303193 205093643 /nfs/dbraw/zinc/09/36/43/205093643.db2.gz SMFUERLHGJOQFM-QFIPXVFZSA-N 1 0 384.470 4.292 1 0 GIAFRO COc1ccc([C@@H](Cc2ccc(C(F)(F)F)cc2)c2cn(C)c(N)[nH+]2)cc1 ZINC000045261090 205093904 /nfs/dbraw/zinc/09/39/04/205093904.db2.gz DVSAFYDQSGWQHQ-QGZVFWFLSA-N 1 0 375.394 4.404 1 0 GIAFRO COc1cc2c(cc1OC)[C@@H]1C[C@@H]([NH3+])[C@@H](c3cccc(C(C)C)c3)CN1CC2 ZINC000045337454 205096128 /nfs/dbraw/zinc/09/61/28/205096128.db2.gz DFRKXRAANPFWQN-VSKRKVRLSA-N 1 0 380.532 4.241 1 0 GIAFRO CC(C)NC(=[NH2+])c1ccc2cc(-c3cc(C(=[NH2+])NC(C)C)ccc3[O-])oc2c1 ZINC000040860360 205074741 /nfs/dbraw/zinc/07/47/41/205074741.db2.gz VRUCRQBQPHHKPI-UHFFFAOYSA-N 1 0 378.476 4.452 1 0 GIAFRO CC[C@@H](c1ccn2c(c1)nc(-c1ccc(F)cc1)c2-c1ccnc(N)n1)[NH+](C)C ZINC000040973465 205076544 /nfs/dbraw/zinc/07/65/44/205076544.db2.gz PKWNHRGUHZKXHZ-SFHVURJKSA-N 1 0 390.466 4.192 1 0 GIAFRO [NH3+]Cc1ccccc1CN(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc21 ZINC000049071506 205125607 /nfs/dbraw/zinc/12/56/07/205125607.db2.gz KOUKIXMZFKLIHI-QHCPKHFHSA-N 1 0 397.526 4.496 1 0 GIAFRO COc1cccc(C[N@H+]2CC[C@@](C)(Oc3ccc(Cl)cc3OC)C2)c1OC ZINC000061927075 205184693 /nfs/dbraw/zinc/18/46/93/205184693.db2.gz HYUHLUNMVFGYNI-OAQYLSRUSA-N 1 0 391.895 4.409 3 0 GIAFRO CC(C)n1c2ccc(S(=O)(=O)c3ccccc3)cc2c2c1C[C@H]1CC[C@@H]2[NH2+]1 ZINC000082153135 205389064 /nfs/dbraw/zinc/38/90/64/205389064.db2.gz LFEAFGOATXWVAQ-BEFAXECRSA-N 1 0 380.513 4.404 1 0 GIAFRO COc1ccccc1-c1ccc([C@@H]2[C@@H]3CN(Cc4cccc(F)c4)C[C@H]2[NH2+]3)cc1 ZINC000100109288 205604099 /nfs/dbraw/zinc/60/40/99/205604099.db2.gz KQECXYVMHINSBB-FVRPBGSPSA-N 1 0 388.486 4.441 1 0 GIAFRO O=C(Nc1ccc(N2CC[NH2+]CC2)cc1)c1cccc(-c2ccc(Cl)cc2)n1 ZINC000084635929 136174966 /nfs/dbraw/zinc/17/49/66/136174966.db2.gz PDVROLFZQHGTNZ-UHFFFAOYSA-N 1 0 392.890 4.064 1 0 GIAFRO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(-c4ccncc4)cc3)cc2)CC1 ZINC000096273162 136185986 /nfs/dbraw/zinc/18/59/86/136185986.db2.gz RIFLCDPHPIHWOH-UHFFFAOYSA-N 1 0 386.499 4.143 1 0 GIAFRO CC[NH+](CC)CC(=O)N1C[C@H](c2ccccc2)Oc2c(C)c(C)c(OC)c(C)c21 ZINC000101656901 136189734 /nfs/dbraw/zinc/18/97/34/136189734.db2.gz RWJBRBTVKREYLN-HXUWFJFHSA-N 1 0 396.531 4.429 1 0 GIAFRO COC(=O)[C@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(-c3cccc(C(C)=O)c3)cc1)[N@@H+]2C ZINC000029474494 221694287 /nfs/dbraw/zinc/69/42/87/221694287.db2.gz CGGKEMRCMPNIGU-WBADGQHESA-N 1 0 377.484 4.296 1 0 GIAFRO CCc1cccc(-c2cnc3nc(N4CCC([NH+]5CCCCC5)CC4)oc3c2)n1 ZINC000073296503 222269837 /nfs/dbraw/zinc/26/98/37/222269837.db2.gz VBUVGSCCBSYFOT-UHFFFAOYSA-N 1 0 391.519 4.302 1 0 GIAFRO CC1(C)[C@H]2CC[C@]1(C)C[N@H+](CCN1CCN(c3cccc(Cl)c3)C1=O)C2 ZINC000043022621 581092138 /nfs/dbraw/zinc/09/21/38/581092138.db2.gz HWLQRSMZQWZHLO-HRAATJIYSA-N 1 0 375.944 4.340 1 0 GIAFRO Cc1cccc(Cl)c1Nc1nc2ccc(N3CCOCC3)cc2n2c[nH+]cc12 ZINC000013860322 581092812 /nfs/dbraw/zinc/09/28/12/581092812.db2.gz IQXCIXCRPPWSRP-UHFFFAOYSA-N 1 0 393.878 4.425 1 0 GIAFRO O=C(NCCC[NH+]1CCC(Cc2ccc(F)cc2)CC1)NC1CCCCC1 ZINC000003976327 204022575 /nfs/dbraw/zinc/02/25/75/204022575.db2.gz KMMVEHIYOWBLGW-UHFFFAOYSA-N 1 0 375.532 4.102 1 0 GIAFRO Cn1cccc1C(=O)N1CCC2(C[NH+](C(c3ccccc3)c3ccccc3)C2)CC1 ZINC000003955723 204022892 /nfs/dbraw/zinc/02/28/92/204022892.db2.gz SRYDGBDFOYHQSW-UHFFFAOYSA-N 1 0 399.538 4.353 1 0 GIAFRO COCC(=O)N1CCC2(CCC[N@@H+](C(c3ccccc3)c3ccccc3)C2)CC1 ZINC000004237987 204034579 /nfs/dbraw/zinc/03/45/79/204034579.db2.gz LMHDBFQNVSLDMN-UHFFFAOYSA-N 1 0 392.543 4.127 1 0 GIAFRO CCOc1ccccc1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000004887919 204086486 /nfs/dbraw/zinc/08/64/86/204086486.db2.gz GFCXINFWTLYCDS-SEJPIABJSA-N 1 0 378.516 4.401 3 0 GIAFRO O=C(NCCC[NH+]1CCCCC1)c1ccc2c(c1)NC(=O)c1ccccc1S2 ZINC000005132684 204114511 /nfs/dbraw/zinc/11/45/11/204114511.db2.gz LTPFNIUBEYTRLN-UHFFFAOYSA-N 1 0 395.528 4.009 3 0 GIAFRO CC(C)[NH+](CCNC(=O)c1ccc(Cc2nc3ccccc3[nH]2)cc1)C(C)C ZINC000008584320 204280569 /nfs/dbraw/zinc/28/05/69/204280569.db2.gz GDVBNPMONWFRLR-UHFFFAOYSA-N 1 0 378.520 4.002 1 0 GIAFRO COc1cccc(NC(=O)NCCC[NH+]2CCC(Cc3ccc(F)cc3)CC2)c1 ZINC000013443536 204490039 /nfs/dbraw/zinc/49/00/39/204490039.db2.gz JXTQWHXHDNHUMI-UHFFFAOYSA-N 1 0 399.510 4.301 1 0 GIAFRO CCCC(=O)Nc1ccc(OC[C@H](O)C[NH2+]C(C)C)c2c1[C@H]1CCCCC[C@@H]21 ZINC000027872262 204863582 /nfs/dbraw/zinc/86/35/82/204863582.db2.gz YLBWVHADZBYSLQ-FGTMMUONSA-N 1 0 388.552 4.308 1 0 GIAFRO O=C1N[C@@H](c2ccccc2)C2(CC[NH+](CCc3c[nH]c4ccccc34)CC2)O1 ZINC000028762007 204880759 /nfs/dbraw/zinc/88/07/59/204880759.db2.gz XBZUMDZIFMNMLE-NRFANRHFSA-N 1 0 375.472 4.026 1 0 GIAFRO CCCc1c2c(ccc(OC)c2OC)cc2[n+]1CCc1cc3c(cc1-2)OCO3 ZINC000039181238 205040246 /nfs/dbraw/zinc/04/02/46/205040246.db2.gz HFWCRKBZRXPFJY-UHFFFAOYSA-N 1 0 378.448 4.049 1 0 GIAFRO CCCc1c2ccc(OC)c(OC)c2c[n+]2c1-c1cc(OC)c(OC)cc1CC2 ZINC000038457296 205035288 /nfs/dbraw/zinc/03/52/88/205035288.db2.gz ATUVABZIKNCKIW-UHFFFAOYSA-N 1 0 394.491 4.337 1 0 GIAFRO CCCCc1c2cc(OC)c(OC)cc2c[n+]2c1-c1cc3c(cc1CC2)OCO3 ZINC000040393046 205062207 /nfs/dbraw/zinc/06/22/07/205062207.db2.gz MRXSJLURGBAHFW-UHFFFAOYSA-N 1 0 392.475 4.439 1 0 GIAFRO Clc1ccc([C@@H]2[NH+]=C(N3CCOCC3)NC3=C2CCc2ccccc23)cc1 ZINC000045253003 205093696 /nfs/dbraw/zinc/09/36/96/205093696.db2.gz YWXSNWXXFNQBPP-FQEVSTJZSA-N 1 0 379.891 4.030 1 0 GIAFRO CC1(C)[C@@H]2CC[C@]13CC[N@H+](CCN1CCN(c4cccc(Cl)c4)C1=O)[C@H]3C2 ZINC000045244846 205094031 /nfs/dbraw/zinc/09/40/31/205094031.db2.gz BLMDJHOZZKURJN-GTCCEBARSA-N 1 0 387.955 4.483 1 0 GIAFRO CCNC(=O)Nc1ccc2c(c1)CC[C@H]1[C@H]2c2cc(O)c(Cl)cc2CC[N@H+]1C ZINC000045370120 205096534 /nfs/dbraw/zinc/09/65/34/205096534.db2.gz VOTBDUBBSJTEPA-PZJWPPBQSA-N 1 0 399.922 4.122 1 0 GIAFRO CC(=O)N[C@@H](C[C@H](C)[NH+]1CCC(n2c(C)nnc2C(C)C)CC1)c1ccccc1 ZINC000040897994 205074237 /nfs/dbraw/zinc/07/42/37/205074237.db2.gz YNOPQUVBQVNCRE-JTSKRJEESA-N 1 0 397.567 4.003 1 0 GIAFRO Cc1nc2ccccc2c(=O)n1-c1ccc(OCCC[NH+]2CCC(C)CC2)cc1 ZINC000040917281 205075635 /nfs/dbraw/zinc/07/56/35/205075635.db2.gz CCCPDTOIWNMAPS-UHFFFAOYSA-N 1 0 391.515 4.195 1 0 GIAFRO Cc1csc(Cn2c3ccccc3nc2[C@@H]2CCC[N@@H+](C3CCOCC3)C2)n1 ZINC000049125295 205126647 /nfs/dbraw/zinc/12/66/47/205126647.db2.gz GYCWXDHHROKGSJ-QGZVFWFLSA-N 1 0 396.560 4.208 1 0 GIAFRO [NH3+]CCC(=O)N1CCc2c3cc(Cl)ccc3[nH]c2[C@H]1c1c[nH]c2ccccc21 ZINC000049808167 205129769 /nfs/dbraw/zinc/12/97/69/205129769.db2.gz RZWDIJSUPRNDRE-JOCHJYFZSA-N 1 0 392.890 4.126 1 0 GIAFRO C[C@H]1CCC[N@@H+]1[C@@H]1CCN(c2ccc(NC(=O)C3CC3)c(C(F)(F)F)c2)C1 ZINC000059261983 205178348 /nfs/dbraw/zinc/17/83/48/205178348.db2.gz QUVLTPSEQSBWKS-XJKSGUPXSA-N 1 0 381.442 4.117 1 0 GIAFRO O[C@@H]1C[C@H](c2ccccc2)[N@H+](CC2CCCCC2)C[C@H]1n1cc(C2CC2)nn1 ZINC000061923803 205184275 /nfs/dbraw/zinc/18/42/75/205184275.db2.gz YLXNKTAEJNVBQL-DNVJHFABSA-N 1 0 380.536 4.085 3 0 GIAFRO CCNC(=O)[C@@]1(C)CCC[N@H+](Cc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000061927010 205184626 /nfs/dbraw/zinc/18/46/26/205184626.db2.gz OKIDEFYTMZZKGO-IBGZPJMESA-N 1 0 377.941 4.202 3 0 GIAFRO c1c(-c2cccc3ccccc32)nnn1C[C@@H]1Cc2c3ccccc3[nH]c2C[NH2+]1 ZINC000064526429 205190811 /nfs/dbraw/zinc/19/08/11/205190811.db2.gz OFZLBWHZZNDTJA-KRWDZBQOSA-N 1 0 379.467 4.294 1 0 GIAFRO CCC1(CC)c2c(ccc(OC)c2OC)CC2=[N+]1CCc1cc3c(cc12)OCO3 ZINC000072106801 205303143 /nfs/dbraw/zinc/30/31/43/205303143.db2.gz OWXQAJSSEMBYPV-UHFFFAOYSA-N 1 0 394.491 4.062 1 0 GIAFRO Cc1nc2ccccc2n1-c1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CCC3)C2)cc1 ZINC000072122668 205307127 /nfs/dbraw/zinc/30/71/27/205307127.db2.gz DNXMXCCCVCPJES-OAQYLSRUSA-N 1 0 388.515 4.033 1 0 GIAFRO Cc1nc2ccccc2n1-c1ccc(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)cc1 ZINC000072126069 205307787 /nfs/dbraw/zinc/30/77/87/205307787.db2.gz KEKBUHHPINWJRM-LJQANCHMSA-N 1 0 388.515 4.081 1 0 GIAFRO CC/C=C\C/C=C\C/C=C\CCCCCCCCOC[C@H]1[NH2+]C[C@H](O)[C@@H]1O ZINC000073198911 205356187 /nfs/dbraw/zinc/35/61/87/205356187.db2.gz ZSYXQSCJKNWQFD-ZTRVNPJZSA-N 1 0 379.585 4.286 1 0 GIAFRO Nc1nc2c(c(-c3ccccc3)n1)C(=O)c1ccc(C[NH+]3C4CCC3CC4)cc1-2 ZINC000095556400 205496259 /nfs/dbraw/zinc/49/62/59/205496259.db2.gz CTSJRKVVECGHGZ-UHFFFAOYSA-N 1 0 382.467 4.064 1 0 GIAFRO Cc1cc(N2CC[C@H]([N@H+]3CCC[C@@H]3C)C2)ccc1NC(=O)c1ccccc1F ZINC000096271312 205554585 /nfs/dbraw/zinc/55/45/85/205554585.db2.gz PWLRRJAFPMHNQH-HKUYNNGSSA-N 1 0 381.495 4.449 1 0 GIAFRO C[C@H]1CCC[N@@H+]1[C@@H]1CCN(c2ccc(NC(=O)c3ccc(N(C)C)cc3)cc2)C1 ZINC000096929231 205578379 /nfs/dbraw/zinc/57/83/79/205578379.db2.gz PLOHAMWJMYYAHV-FDDCHVKYSA-N 1 0 392.547 4.068 1 0 GIAFRO c1[nH]c2ccccc2c1[C@@H]1CC[C@@H](CC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000100788538 136189314 /nfs/dbraw/zinc/18/93/14/136189314.db2.gz NHQJFVWHLAYQQH-BGYRXZFFSA-N 1 0 389.547 4.444 1 0 GIAFRO O=C(NCC[C@@H]1C[NH+]=C(c2ccccc2)c2ccccc2N1)c1ccc(F)cc1 ZINC000013525947 204492919 /nfs/dbraw/zinc/49/29/19/204492919.db2.gz NYFFROCIRWCNSC-HXUWFJFHSA-N 1 0 387.458 4.277 1 0 GIAFRO COc1ccc(-c2cc(-c3c[nH]c4ccccc43)nc(N3CC[NH+](C)CC3)n2)cc1 ZINC000028466908 204873715 /nfs/dbraw/zinc/87/37/15/204873715.db2.gz CSZPORZSQGBQOX-UHFFFAOYSA-N 1 0 399.498 4.052 1 0 GIAFRO Cc1cc(O)ccc1N1CCc2c1[nH+]ccc2-n1ccc(-c2nccs2)n1 ZINC000040393489 205062833 /nfs/dbraw/zinc/06/28/33/205062833.db2.gz VPBAFPNBOIHJCC-UHFFFAOYSA-N 1 0 375.457 4.099 1 0 GIAFRO CC[NH+](CC)Cc1ccn2c(c1)nc(-c1ccc(F)cc1)c2-c1ccnc(N)n1 ZINC000040431387 205065436 /nfs/dbraw/zinc/06/54/36/205065436.db2.gz COOFWQXXHSPUHN-UHFFFAOYSA-N 1 0 390.466 4.021 1 0 GIAFRO COc1ccc([C@H](Cc2ccc(C(F)(F)F)cc2)c2cn(C)c(N)[nH+]2)cc1 ZINC000045261087 205094413 /nfs/dbraw/zinc/09/44/13/205094413.db2.gz DVSAFYDQSGWQHQ-KRWDZBQOSA-N 1 0 375.394 4.404 1 0 GIAFRO COc1cc2ncc(C(N)=O)c(Nc3cc(Cl)cc(Cl)c3)c2cc1OC ZINC000040935608 205075972 /nfs/dbraw/zinc/07/59/72/205075972.db2.gz LXDSESRXFCMAFN-UHFFFAOYSA-N 1 0 392.242 4.401 1 0 GIAFRO CCN(CC)C(=O)c1ccccc1C1=CC2(CC[NH2+]CC2)Oc2ccccc21 ZINC000040972491 205076453 /nfs/dbraw/zinc/07/64/53/205076453.db2.gz OMBNKKNLAPQVAJ-UHFFFAOYSA-N 1 0 376.500 4.115 1 0 GIAFRO CC[N@H+]1CC(=Cc2ccc(C)cc2)C2=NC(=S)N[C@@H](c3ccc(C)cc3)C2C1 ZINC000064448649 205190721 /nfs/dbraw/zinc/19/07/21/205190721.db2.gz SQIIYCCGOMTDRN-IMEWXKHHSA-N 1 0 389.568 4.495 1 0 GIAFRO CSc1nn(-c2ccccc2)c2cc(NC(=O)CC3CC[NH2+]CC3)ccc21 ZINC000072179009 205316879 /nfs/dbraw/zinc/31/68/79/205316879.db2.gz POSJJEIVEJFHLW-UHFFFAOYSA-N 1 0 380.517 4.076 1 0 GIAFRO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(-c4cccnc4)cc3)cc2)CC1 ZINC000096273163 136186102 /nfs/dbraw/zinc/18/61/02/136186102.db2.gz JODWAKUMHSELQZ-UHFFFAOYSA-N 1 0 386.499 4.143 1 0 GIAFRO CN(C(=O)N1CC(c2cc(F)ccc2F)=C[C@H]1c1ccccc1)C1CC[NH2+]CC1 ZINC000013982377 581097422 /nfs/dbraw/zinc/09/74/22/581097422.db2.gz NKLVBHMAIMEVEH-QFIPXVFZSA-N 1 0 397.469 4.209 1 0 in-vivo GIAFRO Cc1ccc2cc3cc(C(=O)N4CC[NH+](C5CCCCC5)CC4)oc3nc2c1 ZINC000004906771 204090444 /nfs/dbraw/zinc/09/04/44/204090444.db2.gz HJXBESHZDFWJDI-UHFFFAOYSA-N 1 0 377.488 4.380 1 0 GIAFRO CN(C(=O)COc1ccc(Cl)c(Cl)c1)[C@H]1CCCC[C@@H]1[NH+]1CCCC1 ZINC000006010243 204161328 /nfs/dbraw/zinc/16/13/28/204161328.db2.gz BUFGEOWFEWGNLG-ROUUACIJSA-N 1 0 385.335 4.238 1 0 GIAFRO O=C(NCCC[NH+]1CCC2(CCc3ccccc32)CC1)[C@H]1C[C@H]1c1ccccc1 ZINC000013679937 204503329 /nfs/dbraw/zinc/50/33/29/204503329.db2.gz KEBJTPRYSCTYBB-GOTSBHOMSA-N 1 0 388.555 4.276 1 0 GIAFRO COc1cc(CC[NH2+]Cc2ccc(Cl)cc2)c(OC)cc1Br ZINC000013737381 204510232 /nfs/dbraw/zinc/51/02/32/204510232.db2.gz FNPBKEVMBJWKPE-UHFFFAOYSA-N 1 0 384.701 4.452 1 0 GIAFRO NC(=[NH2+])c1ccc2[nH]c(-c3ccc4[nH]c(-c5ccc(F)c(F)c5)nc4c3)nc2c1 ZINC000045495197 205097920 /nfs/dbraw/zinc/09/79/20/205097920.db2.gz OSALDKLIXSLHTJ-UHFFFAOYSA-N 1 0 388.381 4.335 1 0 GIAFRO CC(C)(C)[NH2+]Cc1ccn2c(c1)nc(-c1ccc(F)cc1)c2-c1ccnc(N)n1 ZINC000040953728 205075778 /nfs/dbraw/zinc/07/57/78/205075778.db2.gz FZGBXZFHFFMTQC-UHFFFAOYSA-N 1 0 390.466 4.068 1 0 GIAFRO CCN(CC)C(=O)c1ccc(C2=C[C@@]3(CCC[NH2+]C3)Oc3ccccc32)cc1 ZINC000056836673 205152425 /nfs/dbraw/zinc/15/24/25/205152425.db2.gz GRPWVPMQIZXAHG-XMMPIXPASA-N 1 0 376.500 4.115 1 0 GIAFRO Brc1ccc2c(c1)CC=C(c1ccccc1)C(N1CC[NH2+]CC1)=N2 ZINC000049918215 205130140 /nfs/dbraw/zinc/13/01/40/205130140.db2.gz UCWFTHFVWCMNCJ-UHFFFAOYSA-N 1 0 382.305 4.024 1 0 GIAFRO COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(Br)cc1)[N@@H+]2C/C=C/CF ZINC000058541423 205177317 /nfs/dbraw/zinc/17/73/17/205177317.db2.gz FXIKVFNIIRHKBX-MBHMRJJTSA-N 1 0 396.300 4.084 1 0 GIAFRO Cc1ccc(-c2ccn(-c3ccc4c(cnn4CC[NH+]4CCCC4)c3)c(=O)c2)cc1 ZINC000059081391 205178993 /nfs/dbraw/zinc/17/89/93/205178993.db2.gz CTBMHSZKHXZDPB-UHFFFAOYSA-N 1 0 398.510 4.258 1 0 GIAFRO CCOc1cccc(C2([NH+]3CCN(c4cccnc4)CC3)[C@@H]3CC(C)C[C@@H]32)c1 ZINC000096272394 136186023 /nfs/dbraw/zinc/18/60/23/136186023.db2.gz CUKMJOAAPROTTA-SYQRVOMBSA-N 1 0 377.532 4.174 1 0 GIAFRO CN1c2ccccc2C(c2ccccc2)=[NH+]C[C@H]1CCNC(=O)c1cccs1 ZINC000003955493 204022301 /nfs/dbraw/zinc/02/23/01/204022301.db2.gz PYCHFYLMMMZMSJ-GOSISDBHSA-N 1 0 389.524 4.224 1 0 GIAFRO COc1ccc(-c2nc3cc(-c4nc5cc(C(N)=[NH2+])ccc5[nH]4)ccc3[nH]2)cc1 ZINC000005889286 204155189 /nfs/dbraw/zinc/15/51/89/204155189.db2.gz ZUMPAEXRWOLVKS-UHFFFAOYSA-N 1 0 382.427 4.066 1 0 GIAFRO CC(C)N(C)C(=O)c1ccc(OC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000011842088 204357192 /nfs/dbraw/zinc/35/71/92/204357192.db2.gz IQISZLIKPMWJRU-UHFFFAOYSA-N 1 0 380.532 4.253 3 0 GIAFRO COc1ccccc1C(=O)Nc1ccnn1C1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000011933496 204362947 /nfs/dbraw/zinc/36/29/47/204362947.db2.gz KZDWVNUTRYYBGK-SFHVURJKSA-N 1 0 394.519 4.137 3 0 GIAFRO O=C1c2ccccc2C(=O)N1CCCC[N@H+]1[C@@H]2CC[C@H]1Cc1[nH]c3ccccc3c12 ZINC000012356341 204399895 /nfs/dbraw/zinc/39/98/95/204399895.db2.gz ZFVCOZSVRXMIIP-KSFYIVLOSA-N 1 0 399.494 4.306 1 0 GIAFRO CCOC(=O)C(C)(C)c1ccc2c(C)cc(Oc3ccc(C(N)=[NH2+])cc3)nc2c1 ZINC000013535203 204494483 /nfs/dbraw/zinc/49/44/83/204494483.db2.gz NQTRMKQQZOHULE-UHFFFAOYSA-N 1 0 391.471 4.460 1 0 GIAFRO COc1ccc2c(c1)[C@@H]([NH2+]CCN1CCN(c3ccc(Cl)cc3)CC1)CCC2 ZINC000022939543 204794316 /nfs/dbraw/zinc/79/43/16/204794316.db2.gz MFLTUPXICJHQFA-QHCPKHFHSA-N 1 0 399.966 4.138 1 0 GIAFRO O=C1Nc2cccc3c2[C@]1(CCCCN1CC[NH+](C2CCCCC2)CC1)CCC3 ZINC000022925772 204794328 /nfs/dbraw/zinc/79/43/28/204794328.db2.gz WSHBWAIJJCWATC-VWLOTQADSA-N 1 0 395.591 4.333 1 0 GIAFRO COc1ccc(C(=O)NC2CC[NH+](Cc3ccc4cc(F)ccc4c3)CC2)cc1 ZINC000029123156 204886372 /nfs/dbraw/zinc/88/63/72/204886372.db2.gz VWTJMAOQPMDKDB-UHFFFAOYSA-N 1 0 392.474 4.382 1 0 GIAFRO Fc1ncccc1-c1cnc2nc(N3CCC([NH+]4CCCCC4)CC3)sc2c1 ZINC000045291200 205094764 /nfs/dbraw/zinc/09/47/64/205094764.db2.gz ZBVOFUBEUUXETE-UHFFFAOYSA-N 1 0 397.523 4.347 1 0 GIAFRO O=S(=O)(c1c[nH]c2cccc(CC[NH+]3CCCCCC3)c21)c1ccccc1 ZINC000045347803 205095192 /nfs/dbraw/zinc/09/51/92/205095192.db2.gz MCPOSCCUUUPTRR-UHFFFAOYSA-N 1 0 382.529 4.419 1 0 in-vitro GIAFRO CN(Cc1nc2ccccc2n1CCCCC[NH3+])[C@H]1CCCc2cccnc21 ZINC000045323765 205096016 /nfs/dbraw/zinc/09/60/16/205096016.db2.gz HYADPBAFAIELQN-NRFANRHFSA-N 1 0 377.536 4.070 1 0 GIAFRO O=C(CC[NH+]1CCCCC1)Nc1ccc2c(c1)C(=O)c1cccc3ccnc-2c31 ZINC000040866605 205074428 /nfs/dbraw/zinc/07/44/28/205074428.db2.gz ICIBQROZYPIRAW-UHFFFAOYSA-N 1 0 385.467 4.261 1 0 GIAFRO CCOC(=O)C[C@@H]1Cc2sccc2C2(CC[NH+](Cc3ccccc3)CC2)O1 ZINC000053226583 205134468 /nfs/dbraw/zinc/13/44/68/205134468.db2.gz BVOZTBCOMSOLRD-SFHVURJKSA-N 1 0 385.529 4.134 1 0 GIAFRO CC(C)c1[nH]nc(Cl)c1-c1ccnc(Nc2ccc(C3CC[NH2+]CC3)cn2)n1 ZINC000064512026 205190874 /nfs/dbraw/zinc/19/08/74/205190874.db2.gz KGEGZSPPABUDIC-UHFFFAOYSA-N 1 0 397.914 4.249 1 0 GIAFRO Fc1cnc(N2CCC([NH2+][C@H](c3ccc(Cl)cc3)c3cccnc3)CC2)nc1 ZINC000072103017 205303443 /nfs/dbraw/zinc/30/34/43/205303443.db2.gz WSRCMDLYWFLWNE-HXUWFJFHSA-N 1 0 397.885 4.012 1 0 GIAFRO Cc1ccc(-c2c3cc(CCC(N)=O)ccc3nc(CC(C)C)c2C[NH3+])cc1 ZINC000072122050 205306017 /nfs/dbraw/zinc/30/60/17/205306017.db2.gz YYYLFAJLJPTXBM-UHFFFAOYSA-N 1 0 375.516 4.285 1 0 GIAFRO Cn1nc(-c2ccc(OCCC[NH+]3CCCCCC3)cc2)c2ccccc2c1=O ZINC000072127002 205306227 /nfs/dbraw/zinc/30/62/27/205306227.db2.gz OMWHONXOKQTOHL-UHFFFAOYSA-N 1 0 391.515 4.245 1 0 GIAFRO Cn1c2ccc(S(=O)(=O)c3ccc(Cl)cc3)cc2c2c1C[C@H]1CC[C@@H]2[NH2+]1 ZINC000082152426 205389359 /nfs/dbraw/zinc/38/93/59/205389359.db2.gz VOFKAUFBGMAVBB-DYVFJYSZSA-N 1 0 386.904 4.014 1 0 GIAFRO c1cnc2c(c1)cccc2-c1nnc(N2CCC([NH+]3CCCCC3)CC2)s1 ZINC000084652323 205398021 /nfs/dbraw/zinc/39/80/21/205398021.db2.gz XZVMPANJGAEMPG-UHFFFAOYSA-N 1 0 379.533 4.208 1 0 GIAFRO COc1ccc2cnc(Nc3ccc(N4CC[C@H]([NH3+])C4)cc3)nc2c1C(C)C ZINC000014945384 221318723 /nfs/dbraw/zinc/31/87/23/221318723.db2.gz AEAUWMPSZUYYHD-INIZCTEOSA-N 1 0 377.492 4.043 1 0 GIAFRO Cn1cc([C@H]2CC[N@@H+]([C@@H]3Cc4cccc5cccc3c45)C[C@@H]2O)c2cccnc21 ZINC000036221544 221848827 /nfs/dbraw/zinc/84/88/27/221848827.db2.gz VOHINDSZXQXORW-YSZBQJHXSA-N 1 0 383.495 4.174 1 0 GIAFRO C=C1[NH2+]C(=C)C(C(=O)OCC)C(c2ccc(Br)o2)C1C(=O)OCC ZINC000000623263 203841956 /nfs/dbraw/zinc/84/19/56/203841956.db2.gz RTTCPVGYQYMILG-NWCRWOLESA-N 1 0 398.253 4.243 1 0 GIAFRO O=c1[nH]c(CCC[N@H+]2CC=C(c3ccc(F)cc3)CC2)nc2c(Cl)cccc12 ZINC000003820641 204019848 /nfs/dbraw/zinc/01/98/48/204019848.db2.gz ACCULLWIBRVLMN-UHFFFAOYSA-N 1 0 397.881 4.438 1 0 GIAFRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2cc3c(s2)-c2ccccc2OC3)C1 ZINC000005050548 204106808 /nfs/dbraw/zinc/10/68/08/204106808.db2.gz QXMIBDJBYORMSG-HZPDHXFCSA-N 1 0 384.545 4.405 3 0 GIAFRO O[C@@]12CCCC[C@H]1[C@@H](c1ccc3c(c1)OCO3)[N@H+](Cc1ccc(F)cc1)CC2 ZINC000006576848 204185303 /nfs/dbraw/zinc/18/53/03/204185303.db2.gz NHBIUSXQFCMSRS-WWPVKYPJSA-N 1 0 383.463 4.423 1 0 GIAFRO O=C1NCN(c2ccccc2)C12CC[NH+](C1c3ccccc3-c3ccccc31)CC2 ZINC000028886109 204883817 /nfs/dbraw/zinc/88/38/17/204883817.db2.gz QWPLZAGYDDIKMZ-UHFFFAOYSA-N 1 0 395.506 4.185 1 0 GIAFRO CC(C)(Cc1cc(F)cc(F)c1)[NH2+]C[C@@H](O)c1cc(Cl)c(N)c(Cl)c1 ZINC000045255298 205093893 /nfs/dbraw/zinc/09/38/93/205093893.db2.gz HFMVPHZRVZPYOC-MRXNPFEDSA-N 1 0 389.273 4.498 1 0 GIAFRO C[C@H]1CCCC[N@@H+]1CCc1cccc2[nH]cc(S(=O)(=O)c3ccccc3)c21 ZINC000045389111 205095773 /nfs/dbraw/zinc/09/57/73/205095773.db2.gz BOQKMDDOTKOYRK-KRWDZBQOSA-N 1 0 382.529 4.418 1 0 in-vitro GIAFRO C[C@H]1CCC[N@H+](CCc2cccc3[nH]cc(S(=O)(=O)c4ccccc4)c32)C1 ZINC000045389328 205096281 /nfs/dbraw/zinc/09/62/81/205096281.db2.gz JBNMIXNIEIEPSS-KRWDZBQOSA-N 1 0 382.529 4.275 1 0 in-vitro GIAFRO COC(=O)c1ccc(CN2CCC([NH2+][C@@H]3C[C@H]4CC[C@]3(C)C4(C)C)CC2)cc1 ZINC000040845258 205072990 /nfs/dbraw/zinc/07/29/90/205072990.db2.gz OQLGXTGOHZHUPV-ZYKOEDHHSA-N 1 0 384.564 4.242 1 0 GIAFRO COc1cccc([C@@H]([NH3+])c2ccc3sc(-c4ccnc(N)n4)c(C)c3c2)c1 ZINC000049089730 205126141 /nfs/dbraw/zinc/12/61/41/205126141.db2.gz LIRJSHARPOXCLR-LJQANCHMSA-N 1 0 376.485 4.306 1 0 GIAFRO CC[NH2+]Cc1cncc(-c2cnc3c(c2)[C@H](c2nc4cc(F)ccc4[nH]2)N=N3)c1 ZINC000049567218 205128185 /nfs/dbraw/zinc/12/81/85/205128185.db2.gz KRKHEOQTCZTRNA-LJQANCHMSA-N 1 0 387.422 4.455 1 0 GIAFRO C[N@@H+]1CC2(CCN(C(=O)Nc3cc(F)cc(F)c3)CC2)[C@@H]1c1ccc(F)cc1 ZINC000062213053 205185407 /nfs/dbraw/zinc/18/54/07/205185407.db2.gz UHPCLHOBLVYPFH-IBGZPJMESA-N 1 0 389.421 4.405 1 0 GIAFRO CN1c2nn(CC[NH+](C)C)cc2C(=O)N(c2ccccc2)c2cc(Cl)ccc21 ZINC000066252838 205241743 /nfs/dbraw/zinc/24/17/43/205241743.db2.gz KQKFPMCHVHBOJI-UHFFFAOYSA-N 1 0 395.894 4.158 1 0 GIAFRO C[C@@H]1CCC[N@@H+]1CCCOc1ccc(-c2cn(C)c(=O)c3ccccc23)cc1 ZINC000073195979 205354994 /nfs/dbraw/zinc/35/49/94/205354994.db2.gz RNTBAXMUZAIGMW-GOSISDBHSA-N 1 0 376.500 4.459 1 0 GIAFRO O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCCCC1)Oc1ccc(Br)cc1 ZINC000084728780 205398391 /nfs/dbraw/zinc/39/83/91/205398391.db2.gz FQNKFDKEWQCBDO-IAGOWNOFSA-N 1 0 381.314 4.335 1 0 GIAFRO CCOc1ccc(-c2cc(C)[n+](CCO)c(-c3ccc(OCC)cc3)c2)cc1 ZINC000000838915 206209925 /nfs/dbraw/zinc/20/99/25/206209925.db2.gz KUKDJPBYVDDYDY-UHFFFAOYSA-N 1 0 378.492 4.406 3 0 GIAFRO COc1ccc(-n2cc(C[NH2+][C@H]3CC[C@H](O)CC3)c(-c3cccc(F)c3)n2)cc1 ZINC000101860010 570285499 /nfs/dbraw/zinc/28/54/99/570285499.db2.gz PKMNJNBSKMAENZ-TYKWCNGQSA-N 1 0 395.478 4.080 1 0 GIAFRO CCOc1cc2c(cc1O)CC[n+]1cc3c(ccc(OCC)c3OCC)cc1-2 ZINC000059586678 291136869 /nfs/dbraw/zinc/13/68/69/291136869.db2.gz FGYQEGYTDGFUED-UHFFFAOYSA-O 1 0 380.464 4.252 1 0 biogenic,in-vitro GIAFRO NC(=[NH2+])c1cccc(-c2cccc([C@H](CCCNc3cc[nH+]cc3)C(=O)[O-])c2)c1 ZINC000003815585 204019238 /nfs/dbraw/zinc/01/92/38/204019238.db2.gz FJEAIYBDDQAFGU-NRFANRHFSA-N 1 0 388.471 4.093 1 0 in-vitro GIAFRO COc1ccc2nc3oc(C(=O)N4CCC([NH+]5CCCCC5)CC4)cc3cc2c1 ZINC000004907690 204089907 /nfs/dbraw/zinc/08/99/07/204089907.db2.gz IIRLQWHHPVYOJK-UHFFFAOYSA-N 1 0 393.487 4.080 1 0 GIAFRO Cc1cc2nc(C3CC[NH+](C[C@H]4COc5ccccc5O4)CC3)[nH]c2cc1C ZINC000004967396 204097138 /nfs/dbraw/zinc/09/71/38/204097138.db2.gz AFVPSEWUXQUXPL-SFHVURJKSA-N 1 0 377.488 4.199 3 0 GIAFRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2cc3c(s2)-c2ccccc2OC3)C1 ZINC000005050536 204107564 /nfs/dbraw/zinc/10/75/64/204107564.db2.gz QXMIBDJBYORMSG-IYBDPMFKSA-N 1 0 384.545 4.405 3 0 GIAFRO CN(C(=O)COc1ccc(Cl)cc1Cl)[C@@H]1CCCC[C@@H]1[NH+]1CCCC1 ZINC000006010244 204161277 /nfs/dbraw/zinc/16/12/77/204161277.db2.gz GVAQFHOUCNTJJI-SJORKVTESA-N 1 0 385.335 4.238 1 0 GIAFRO CCc1ccc2[nH]c(=O)c(CN(CC[NH+](C)C)C(=O)Nc3ccccc3)cc2c1 ZINC000008582743 204280593 /nfs/dbraw/zinc/28/05/93/204280593.db2.gz JBOMHIUVLRMMRT-UHFFFAOYSA-N 1 0 392.503 4.099 3 0 GIAFRO CCN(CC)C(=O)c1ccc(C(c2cccc(OC)c2)=C2CC[NH2+]CC2)cc1 ZINC000013803498 204515552 /nfs/dbraw/zinc/51/55/52/204515552.db2.gz UWERJSHTOGBZDV-UHFFFAOYSA-N 1 0 378.516 4.363 1 0 GIAFRO CCN1C(C)=C(C(=O)OC)[C@H](c2ccccc2)[NH+]=C1N(C)CCc1cccs1 ZINC000015937388 204585618 /nfs/dbraw/zinc/58/56/18/204585618.db2.gz QXILAYFCODZUNQ-FQEVSTJZSA-N 1 0 397.544 4.102 3 0 GIAFRO COc1cc(Cl)cc(CN2CC[C@]3(C2)CCC[N@H+](CC2CC2)C3)c1OC ZINC000039515548 205041509 /nfs/dbraw/zinc/04/15/09/205041509.db2.gz JIVPPSKDZUVJRA-OAQYLSRUSA-N 1 0 378.944 4.055 1 0 GIAFRO COc1ccc2c(c1)CCN2c1cc(-n2ccc(-c3nccs3)n2)cc(C)[nH+]1 ZINC000040393172 205062896 /nfs/dbraw/zinc/06/28/96/205062896.db2.gz DFSWHVKCNMWGJB-UHFFFAOYSA-N 1 0 389.484 4.402 1 0 GIAFRO CCCCc1c2ccc(OC)c(OC)c2c[n+]2c1-c1cc3c(cc1CC2)OCO3 ZINC000040392916 205063066 /nfs/dbraw/zinc/06/30/66/205063066.db2.gz LFMCNQQRXUAILV-UHFFFAOYSA-N 1 0 392.475 4.439 1 0 GIAFRO Cc1c(OS(=O)(=O)c2cccc3ccccc32)cccc1C1CC[NH2+]CC1 ZINC000040411143 205065923 /nfs/dbraw/zinc/06/59/23/205065923.db2.gz JJLJCJQBCWNLIV-UHFFFAOYSA-N 1 0 381.497 4.383 1 0 GIAFRO [NH3+][C@H]1Cn2c3ccc(C(F)(F)F)cc3nc2C[C@@H]1c1cc(F)c(F)cc1F ZINC000043023246 205082011 /nfs/dbraw/zinc/08/20/11/205082011.db2.gz CPDHNZLJVFYMPT-YGRLFVJLSA-N 1 0 385.311 4.140 1 0 GIAFRO C[NH2+]CCN1CCC(c2cc3[nH]c(-c4ccc(F)cc4OC)nc3c(C)c2)CC1 ZINC000045288480 205094304 /nfs/dbraw/zinc/09/43/04/205094304.db2.gz GBMDFYLUPGWOCT-UHFFFAOYSA-N 1 0 396.510 4.085 1 0 GIAFRO CO[C@@H](C(=O)N[C@H](CC[NH+](C)C)c1ccc2ccccc2c1)c1ccccc1 ZINC000045284179 205094874 /nfs/dbraw/zinc/09/48/74/205094874.db2.gz UKHRRYOEYHKXOT-DHIUTWEWSA-N 1 0 376.500 4.337 1 0 GIAFRO C[N@@H+]1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(N4CCCC4=O)c3CC[C@@H]21 ZINC000045365727 205095262 /nfs/dbraw/zinc/09/52/62/205095262.db2.gz XVAIBFITQWHLML-NZQKXSOJSA-N 1 0 396.918 4.107 1 0 GIAFRO COc1ccc([C@H]2CC3([NH+](C)C)C[C@@H](O)C2[C@@H](c2ccc(OC)cc2)C3)cc1 ZINC000040812440 205072276 /nfs/dbraw/zinc/07/22/76/205072276.db2.gz ZKWMIFWZIBHEBK-LXDQLMLUSA-N 1 0 381.516 4.046 1 0 GIAFRO C[NH+](C)CCN1C(=O)c2cccc3c(SCc4ccccc4)ccc(c32)C1=O ZINC000040891509 205073696 /nfs/dbraw/zinc/07/36/96/205073696.db2.gz RGIZPGILROHVQE-UHFFFAOYSA-N 1 0 390.508 4.290 1 0 GIAFRO O=C1CNc2cc3onc(CCC4CC[NH+](Cc5ccccc5)CC4)c3cc2C1 ZINC000049046597 205124898 /nfs/dbraw/zinc/12/48/98/205124898.db2.gz WNCPQDOVHICUNG-UHFFFAOYSA-N 1 0 389.499 4.210 1 0 GIAFRO C[C@@H]1CC[C@H](C)[N@H+]1Cc1cccc2c1-c1nc(N)nc(-c3ccccc3)c1C2=O ZINC000049048562 205125670 /nfs/dbraw/zinc/12/56/70/205125670.db2.gz UMJOOJXWGPXRLE-GASCZTMLSA-N 1 0 384.483 4.310 1 0 GIAFRO O=C(N[C@@H](c1cccc(Cl)c1)C1CC[NH2+]CC1)c1ccc2cnccc2c1 ZINC000072179882 205317368 /nfs/dbraw/zinc/31/73/68/205317368.db2.gz OCQHKPAKNNORHZ-OAQYLSRUSA-N 1 0 379.891 4.359 1 0 GIAFRO COc1ccc(-c2cc3ccc(OC4CC[NH+](C)CC4)c(C)c3oc2=O)cc1 ZINC000084730158 205399102 /nfs/dbraw/zinc/39/91/02/205399102.db2.gz KQJLPEVBVSGABG-UHFFFAOYSA-N 1 0 379.456 4.250 1 0 GIAFRO COc1cc2c(cc1OC)C(=O)[C@@H](CCCCCCc1cccc(OC)[n+]1C)C2 ZINC000096938832 205580125 /nfs/dbraw/zinc/58/01/25/205580125.db2.gz KPGCCMMQFMDKQA-KRWDZBQOSA-N 1 0 398.523 4.085 1 0 GIAFRO c1nn2cc(-c3ccc(OCC[NH+]4CCCCC4)cc3)cnc2c1-c1cccnc1 ZINC000013819816 581093196 /nfs/dbraw/zinc/09/31/96/581093196.db2.gz CXMKJARIDJFGGI-UHFFFAOYSA-N 1 0 399.498 4.323 1 0 GIAFRO C[NH+](C)CCCOc1ccc(-c2cnc3c(-c4ccsc4)cnn3c2)cc1 ZINC000013819811 581095623 /nfs/dbraw/zinc/09/56/23/581095623.db2.gz AMQUNUQXLQUCGJ-UHFFFAOYSA-N 1 0 378.501 4.455 1 0 GIAFRO C[NH+](C)CCCN(C(=O)C1CCCCC1)c1nc2c(cc(F)cc2F)s1 ZINC000004359816 204041171 /nfs/dbraw/zinc/04/11/71/204041171.db2.gz NICVWYCYVCFREZ-UHFFFAOYSA-N 1 0 381.492 4.440 1 0 GIAFRO C[C@@H]1CCCC[C@@H]1Oc1cccc(-c2nc3cc(F)c(C(N)=[NH2+])cc3[nH]2)c1O ZINC000005890341 204155418 /nfs/dbraw/zinc/15/54/18/204155418.db2.gz CMCDWLMEDRBWIR-DIFFPNOSSA-N 1 0 382.439 4.316 1 0 GIAFRO CN(C(=O)COc1ccc(Cl)c(Cl)c1)[C@@H]1CCCC[C@@H]1[NH+]1CCCC1 ZINC000006010242 204161645 /nfs/dbraw/zinc/16/16/45/204161645.db2.gz BUFGEOWFEWGNLG-MSOLQXFVSA-N 1 0 385.335 4.238 1 0 GIAFRO O[C@@]12CCCC[C@@H]1[C@@H](c1ccc3c(c1)OCO3)[N@H+](Cc1ccc(F)cc1)CC2 ZINC000006576846 204184460 /nfs/dbraw/zinc/18/44/60/204184460.db2.gz NHBIUSXQFCMSRS-UEVCKROQSA-N 1 0 383.463 4.423 1 0 GIAFRO CCCCNc1nc(C)nc2c1nc(-c1ccccc1)n2CC[NH+]1CCCC1 ZINC000007991824 204258052 /nfs/dbraw/zinc/25/80/52/204258052.db2.gz KTXGCPLYSXQQGT-UHFFFAOYSA-N 1 0 378.524 4.110 1 0 GIAFRO OCC[NH+]1CCN([C@H]2C[C@@H](c3ccc(Cl)cc3Cl)c3ccccc32)CC1 ZINC000028088577 204866628 /nfs/dbraw/zinc/86/66/28/204866628.db2.gz MURQASUUFILVAE-CTNGQTDRSA-N 1 0 391.342 4.180 1 0 GIAFRO CN(Cc1nc2ccccc2n1C1CC[NH+](C)CC1)[C@@H]1CCCc2cccnc21 ZINC000035950934 205000218 /nfs/dbraw/zinc/00/02/18/205000218.db2.gz FFROZRURSWKTSQ-JOCHJYFZSA-N 1 0 389.547 4.207 1 0 GIAFRO CCCc1cc(N)c2cc(NC(=O)/C=C/c3ccc(OC(C)=O)cc3)ccc2[nH+]1 ZINC000036351716 205013170 /nfs/dbraw/zinc/01/31/70/205013170.db2.gz WWSIPZXUTDAWFG-KPKJPENVSA-N 1 0 389.455 4.347 1 0 GIAFRO Cc1ccc2c(c1C)CN(C(=O)N(C)CCC[NH+](C)C)C[C@H]2c1ccccc1 ZINC000038156041 205036478 /nfs/dbraw/zinc/03/64/78/205036478.db2.gz RLYICDBCHGJISR-QHCPKHFHSA-N 1 0 379.548 4.254 1 0 GIAFRO CCCC[C@H](C)[C@H]1C[C@]23C=C[C@]1(OC)[C@@H]1Oc4c5c(ccc4O)C[C@H]2[NH2+]CC[C@]513 ZINC000040510524 205067275 /nfs/dbraw/zinc/06/72/75/205067275.db2.gz YMMSTFUUPZBVDO-PQNMLEPYSA-N 1 0 395.543 4.097 1 0 GIAFRO CCNC(=O)OC[C@@H](Oc1cccc2sc(C(N)=[NH2+])cc21)c1ccccc1 ZINC000045386657 205096195 /nfs/dbraw/zinc/09/61/95/205096195.db2.gz PCIBKAPYDVLZRH-MRXNPFEDSA-N 1 0 383.473 4.052 1 0 GIAFRO O=S(=O)(Cc1ccc2c(c1)CC[NH2+]CC2)c1ccc(-c2ccc(F)cc2)cc1 ZINC000049013974 205125633 /nfs/dbraw/zinc/12/56/33/205125633.db2.gz JAVRHNIQPGTLJG-UHFFFAOYSA-N 1 0 395.499 4.155 1 0 GIAFRO CC(C)(C)[C@@H](CO)[NH2+]Cc1coc2cccc(OCC3CCCCC3)c2c1=O ZINC000053314088 205135006 /nfs/dbraw/zinc/13/50/06/205135006.db2.gz OEQMESOVIVPDBC-HXUWFJFHSA-N 1 0 387.520 4.249 1 0 GIAFRO O=S(=O)(NC[C@H](c1ccccc1)[NH+]1CCCCCC1)c1cccc(Cl)c1 ZINC000058519647 205176641 /nfs/dbraw/zinc/17/66/41/205176641.db2.gz SZQOWBGHVDMDJT-HXUWFJFHSA-N 1 0 392.952 4.236 1 0 GIAFRO c1[nH]nc2c1Cc1cc(-c3cn([C@@H]4CCC[NH2+]CC4)nc3-c3ccncc3)ccc1-2 ZINC000071333696 205282144 /nfs/dbraw/zinc/28/21/44/205282144.db2.gz OQMXCWUUGNUFSO-HXUWFJFHSA-N 1 0 396.498 4.221 1 0 GIAFRO Fc1ccc(-c2cc3nc(-c4ccccc4)cc(NC4CC[NH2+]CC4)n3n2)cc1 ZINC000072102999 205303950 /nfs/dbraw/zinc/30/39/50/205303950.db2.gz YIEDATYITJTVNQ-UHFFFAOYSA-N 1 0 387.462 4.366 1 0 GIAFRO [NH3+][C@H]1CC[C@@H](n2cc(-c3ccc4c(c3)Cc3c[nH]nc3-4)c(-c3ccncc3)n2)CC1 ZINC000101417512 205621688 /nfs/dbraw/zinc/62/16/88/205621688.db2.gz IITDRWYWCOFDCY-MXVIHJGJSA-N 1 0 396.498 4.349 1 0 GIAFRO C[NH+]1CCN(c2ccc(Nc3ncc(Cl)c(Nc4ccccc4)n3)cc2)CC1 ZINC000073198798 136171473 /nfs/dbraw/zinc/17/14/73/136171473.db2.gz NNOANRYJMKRQIY-UHFFFAOYSA-N 1 0 394.910 4.369 1 0 GIAFRO O=C(Nc1ccc(N2CC[NH2+]CC2)c(F)c1)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000084636070 136174989 /nfs/dbraw/zinc/17/49/89/136174989.db2.gz IMZWHTLABIYNHC-UHFFFAOYSA-N 1 0 399.853 4.401 1 0 GIAFRO Cn1ccc(-c2ccc3c(c2)[C@H]([NH+]2CCN(C)CC2)Cc2ccccc2S3)n1 ZINC000064548985 222074195 /nfs/dbraw/zinc/07/41/95/222074195.db2.gz WASDQAJQWQDOQW-OAQYLSRUSA-N 1 0 390.556 4.083 1 0 GIAFRO [NH3+]Cc1ccoc1CN(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc21 ZINC000066101752 222137659 /nfs/dbraw/zinc/13/76/59/222137659.db2.gz WZCODHDIGWESMW-FQEVSTJZSA-N 1 0 387.487 4.089 1 0 GIAFRO C[NH+](C)CCn1ccc2cc(NS(=O)(=O)c3ccc4ccccc4c3)ccc21 ZINC000013611672 206983932 /nfs/dbraw/zinc/98/39/32/206983932.db2.gz PDCOMLBLPLOGHW-UHFFFAOYSA-N 1 0 393.512 4.157 1 0 GIAFRO O=C1NCCN1CC[N@@H+]1CCC[C@H](c2c3ccccc3[nH]c2-c2ccccc2)C1 ZINC000013862734 207002898 /nfs/dbraw/zinc/00/28/98/207002898.db2.gz XTOXNGQJKCDLHX-IBGZPJMESA-N 1 0 388.515 4.040 1 0 GIAFRO CCC[NH+]1CCN([C@H](c2ccccc2)c2ccc(C(=O)N(CC)CC)cc2)CC1 ZINC000022939509 207266527 /nfs/dbraw/zinc/26/65/27/207266527.db2.gz IQBKPSJJCJIRLC-XMMPIXPASA-N 1 0 393.575 4.286 1 0 GIAFRO O=C(c1ccco1)N(c1ccccn1)C1CC[NH+](CCc2ccccc2)CC1 ZINC000027733241 207330770 /nfs/dbraw/zinc/33/07/70/207330770.db2.gz WEEGLWYPSROLFW-UHFFFAOYSA-N 1 0 375.472 4.029 1 0 GIAFRO Clc1ccc2[nH]nc(NC3CC[NH+](Cc4ccc5c(c4)OCCO5)CC3)c2c1 ZINC000028529672 207343837 /nfs/dbraw/zinc/34/38/37/207343837.db2.gz BCPYDPOPHGIAPR-UHFFFAOYSA-N 1 0 398.894 4.064 1 0 GIAFRO CCCCCN1CNC(=O)C12CC[NH+]([C@H]1CCCC[C@H]1c1ccccc1)CC2 ZINC000028564209 207343969 /nfs/dbraw/zinc/34/39/69/207343969.db2.gz KLZIJMXVBVGSNF-VXKWHMMOSA-N 1 0 383.580 4.127 1 0 GIAFRO COC(=O)[C@@]1(c2ccc(C)cc2)C[C@H]1C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000028634995 207345180 /nfs/dbraw/zinc/34/51/80/207345180.db2.gz GOIBXJYEIIEIPH-UKILVPOCSA-N 1 0 377.528 4.380 1 0 GIAFRO O=S(=O)(c1ccc2ccccc2c1)n1cc(C2=CC[NH2+]CC2)c2ccccc21 ZINC000028129740 207335264 /nfs/dbraw/zinc/33/52/64/207335264.db2.gz HNMNAGYJPITMSM-UHFFFAOYSA-N 1 0 388.492 4.408 1 0 GIAFRO CC(C)[NH+](CC[C@@]1(c2ccccc2Cl)C(=O)NCN2CCCC[C@H]21)C(C)C ZINC000028265013 207339318 /nfs/dbraw/zinc/33/93/18/207339318.db2.gz DMEITOFFTBHYHV-UNMCSNQZSA-N 1 0 391.987 4.029 1 0 GIAFRO Clc1ccc(COc2ccc(Br)cc2CN2CC[NH2+]CC2)cc1 ZINC000028822080 207349311 /nfs/dbraw/zinc/34/93/11/207349311.db2.gz LNRVEHHAKRFSJX-UHFFFAOYSA-N 1 0 395.728 4.087 1 0 GIAFRO c1[nH]c2ncnc(N3CC4(CC[NH2+]CC4)c4ccccc43)c2c1Cc1ccccc1 ZINC000029047366 207352674 /nfs/dbraw/zinc/35/26/74/207352674.db2.gz OVOMREJCQLCUHL-UHFFFAOYSA-N 1 0 395.510 4.322 1 0 GIAFRO CN(C(=O)c1ccc(Cl)c(Cl)c1)[C@@H]1Cc2ccccc2C[C@H]1[NH+](C)C ZINC000029548276 207363994 /nfs/dbraw/zinc/36/39/94/207363994.db2.gz NYTWGNMAJGEHGJ-RTBURBONSA-N 1 0 377.315 4.163 1 0 GIAFRO CN(C)c1cccc(C2=[NH+]CC(c3ccc(F)cc3)(c3ccc(F)cc3)N2)c1 ZINC000040954519 207616379 /nfs/dbraw/zinc/61/63/79/207616379.db2.gz AHIHRCLJRIXGEW-UHFFFAOYSA-N 1 0 377.438 4.324 1 0 GIAFRO Cc1cc2c(c(=O)o1)C=C1CC[C@H]([C@@H](C)C[NH2+]Cc3ccc(C=O)cc3)C[C@@H]1O2 ZINC000095553385 208232613 /nfs/dbraw/zinc/23/26/13/208232613.db2.gz ZGUNEAKYTZXYFR-OHEPNIRZSA-N 1 0 393.483 4.131 1 0 GIAFRO COc1ccc(C[NH2+]C[C@H](C)[C@H]2CCC3=Cc4c(cc(C)oc4=O)O[C@H]3C2)cc1 ZINC000095554111 208233120 /nfs/dbraw/zinc/23/31/20/208233120.db2.gz ZWILVXIZHVDAFA-VPKVUBIPSA-N 1 0 395.499 4.327 1 0 GIAFRO CCCC[C@@H](C)[C@@H]1C[C@]23C=C[C@]1(OC)[C@@H]1Oc4c5c(ccc4O)C[C@H]2[NH2+]CC[C@]513 ZINC000095554284 208233473 /nfs/dbraw/zinc/23/34/73/208233473.db2.gz YMMSTFUUPZBVDO-KTGICCEDSA-N 1 0 395.543 4.097 1 0 GIAFRO CC1(C)O[C@@]2([C@H]3CCC[C@H](Cc4ccc(O)cc4)C3)CC[C@@H]1[C@]([NH3+])(CCO)C2 ZINC000085543236 291135951 /nfs/dbraw/zinc/13/59/51/291135951.db2.gz YENLEYLOULYBJW-MQNDFZGFSA-N 1 0 387.564 4.169 1 0 biogenic,in-vitro GIAFRO CCN1C(C)=C(C(=O)OC)[C@H](c2cccc(C(F)(F)F)c2)NC1=[NH+]CC(C)C ZINC000015937431 207068245 /nfs/dbraw/zinc/06/82/45/207068245.db2.gz AQOUMQIOFQMRBM-KRWDZBQOSA-N 1 0 397.441 4.131 3 0 GIAFRO Cc1cc(O)c([C@H](c2ccccc2)[NH+]2CCCCC2)c(=O)n1Cc1ccco1 ZINC000020604670 207205967 /nfs/dbraw/zinc/20/59/67/207205967.db2.gz UPVZCAYDQHCRKE-QFIPXVFZSA-N 1 0 378.472 4.079 1 0 aggregator GIAFRO C[NH+]1CCN(Cc2ccc3n2Cc2ccccc2S[C@H]3c2ccccc2)CC1 ZINC000022939377 207267228 /nfs/dbraw/zinc/26/72/28/207267228.db2.gz ZGTWROLAOLNDGR-DEOSSOPVSA-N 1 0 389.568 4.479 1 0 GIAFRO O[C@@H](c1cc(C(F)(F)F)nc2c1cccc2C(F)(F)F)[C@@H]1CCC[NH2+]C1 ZINC000026288413 207311207 /nfs/dbraw/zinc/31/12/07/207311207.db2.gz FIFJMFXFFGFNHW-RFAUZJTJSA-N 1 0 378.316 4.305 1 0 GIAFRO Cc1nn(-c2cccc(Cl)c2)c2c1c(N1CC[NH+](C)CC1)nc1ccccc21 ZINC000026746972 207319159 /nfs/dbraw/zinc/31/91/59/207319159.db2.gz IVIWEVKOCHLRRM-UHFFFAOYSA-N 1 0 391.906 4.287 1 0 GIAFRO O[C@H](c1cc(C(F)(F)F)nc2c1cccc2C(F)(F)F)[C@H]1CCC[NH2+]C1 ZINC000026288418 207311574 /nfs/dbraw/zinc/31/15/74/207311574.db2.gz FIFJMFXFFGFNHW-VFZGTOFNSA-N 1 0 378.316 4.305 1 0 GIAFRO C[N@@H+]1CCC[C@H]1Cc1cn(S(=O)(=O)c2cccc(Cl)c2)c2ccccc12 ZINC000028525877 207343731 /nfs/dbraw/zinc/34/37/31/207343731.db2.gz HGVTZDORLFUYHV-KRWDZBQOSA-N 1 0 388.920 4.168 1 0 GIAFRO CC(C)[NH+](CC[C@]1(c2ccccc2Cl)C(=O)NCN2CCCC[C@H]21)C(C)C ZINC000028265008 207338845 /nfs/dbraw/zinc/33/88/45/207338845.db2.gz DMEITOFFTBHYHV-RBBKRZOGSA-N 1 0 391.987 4.029 1 0 GIAFRO CCn1cc(C(=O)N2CCC(c3cccc(C[NH3+])c3)CC2)c2cccc(C)c21 ZINC000028465771 207342380 /nfs/dbraw/zinc/34/23/80/207342380.db2.gz UMDLJLYTWHRZGI-UHFFFAOYSA-N 1 0 375.516 4.448 1 0 GIAFRO O=S(=O)(c1ccc(Cl)s1)n1cc([C@H]2CCC[NH2+]C2)c2ccccc21 ZINC000028524774 207343158 /nfs/dbraw/zinc/34/31/58/207343158.db2.gz JJNCPALKVTYAFB-LBPRGKRZSA-N 1 0 380.922 4.060 1 0 GIAFRO C[NH+](C)CCC[C@@H](O)[C@@]12CCC[C@@H]3C[C@@](OCc4ccccc4)(CC[C@@]31C)O2 ZINC000029547988 207364328 /nfs/dbraw/zinc/36/43/28/207364328.db2.gz XMSDBHLEKDPJQE-SJSRKZJXSA-N 1 0 387.564 4.362 1 0 GIAFRO C[N@@H+]1C/C=C/CCOc2cccc(c2)-c2ccnc(n2)Nc2cc(N)cc(c2)C1 ZINC000073197061 208034947 /nfs/dbraw/zinc/03/49/47/208034947.db2.gz JCRCSNBABSGPEN-NSCUHMNNSA-N 1 0 387.487 4.240 1 0 GIAFRO C[N@@H+]1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]21CC[C@]2(OC(C)(C)C(C)(C)[C@@H]2C1)[C@@H]3O5 ZINC000084703923 208097807 /nfs/dbraw/zinc/09/78/07/208097807.db2.gz FTOZVQKYOSPMCR-DHBKHMDTSA-N 1 0 395.543 4.025 1 0 GIAFRO C[C@H]1CCC[N@@H+]1[C@@H]1CCN(c2ccc(NC(=O)c3cccc(N(C)C)c3)cc2)C1 ZINC000096929233 208329840 /nfs/dbraw/zinc/32/98/40/208329840.db2.gz AXJXHEHQTGYGND-FDDCHVKYSA-N 1 0 392.547 4.068 1 0 GIAFRO [NH3+][C@H]1CC[C@H](n2cc(-c3ccc4c(c3)Cc3c[nH]nc3-4)c(-c3ccncc3)n2)CC1 ZINC000101417507 208393171 /nfs/dbraw/zinc/39/31/71/208393171.db2.gz IITDRWYWCOFDCY-BGYRXZFFSA-N 1 0 396.498 4.349 1 0 GIAFRO CC1(C)NC(=[NH2+])NC(=N)N1c1cccc(COc2cccc(-c3ccccc3)c2)c1 ZINC000013740734 581092226 /nfs/dbraw/zinc/09/22/26/581092226.db2.gz ZDWRGSYMUVYIQJ-UHFFFAOYSA-N 1 0 399.498 4.118 1 0 GIAFRO Nc1nc2c(c(-c3ccccc3)n1)C(=O)c1cccc(C[NH+]3CCCCCC3)c1-2 ZINC000049053467 581093583 /nfs/dbraw/zinc/09/35/83/581093583.db2.gz PXTIQIKLYOQPFC-UHFFFAOYSA-N 1 0 384.483 4.313 1 0 GIAFRO COC(=O)c1ccc(Br)cc1-[n+]1ccc2c(c1)[nH]c1ccccc12 ZINC000014685492 206262557 /nfs/dbraw/zinc/26/25/57/206262557.db2.gz WOIYXANTVKQWBK-UHFFFAOYSA-O 1 0 382.237 4.147 1 0 GIAFRO CCOC(=O)c1c(CC)c(C(=O)SCC)c(CC)[n+](C)c1C1CCCC1 ZINC000013801295 207000038 /nfs/dbraw/zinc/00/00/38/207000038.db2.gz BBQZSDALSNIYRB-UHFFFAOYSA-N 1 0 378.558 4.364 1 0 GIAFRO C[NH+]1CCN(c2nc(-c3ccoc3)cc(-c3cc4ccccc4s3)n2)CC1 ZINC000013808397 207000437 /nfs/dbraw/zinc/00/04/37/207000437.db2.gz CHGZDTCQAUJRRZ-UHFFFAOYSA-N 1 0 376.485 4.370 1 0 GIAFRO C[NH+]1CCN(c2nc(-c3ccco3)cc(-c3cc4ccccc4s3)n2)CC1 ZINC000013808395 207001127 /nfs/dbraw/zinc/00/11/27/207001127.db2.gz XBZDHWYSUZYKGR-UHFFFAOYSA-N 1 0 376.485 4.370 1 0 GIAFRO FC(F)(F)c1ccc2nc(N3CC[NH2+]CC3)c(Sc3ccccc3)nc2c1 ZINC000025967429 207307507 /nfs/dbraw/zinc/30/75/07/207307507.db2.gz OBRJYVVLWMQMIE-UHFFFAOYSA-N 1 0 390.434 4.209 1 0 GIAFRO CCNC(=O)c1ccc(C(c2cccc(OC)c2)=C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000026184205 207310414 /nfs/dbraw/zinc/31/04/14/207310414.db2.gz YKYYEYSPBCTWSR-OYRHEFFESA-N 1 0 376.500 4.161 1 0 GIAFRO CO[C@H](C)C(=O)N(c1ccccc1)[C@@H]1CC[N@H+](CCc2cccs2)C[C@@H]1C ZINC000026728602 207318174 /nfs/dbraw/zinc/31/81/74/207318174.db2.gz LZKVXBQOOPUNCP-WAOWUJCRSA-N 1 0 386.561 4.069 1 0 GIAFRO Cc1ccc(N2CNC(=O)C23CC[NH+]([C@H]2Cc4cccc5cccc2c45)CC3)cc1 ZINC000026399288 207312569 /nfs/dbraw/zinc/31/25/69/207312569.db2.gz HXAMTTDIZAWFKT-QHCPKHFHSA-N 1 0 397.522 4.174 1 0 GIAFRO CCCC[n+]1cc2cc(OC)c(OC)cc2c2c1-c1cc3c(cc1C2)OCO3 ZINC000026498786 207314186 /nfs/dbraw/zinc/31/41/86/207314186.db2.gz KCEMLTPIXXVOSJ-UHFFFAOYSA-N 1 0 378.448 4.245 1 0 GIAFRO CCCC(=O)Nc1ccc(OC[C@@H](O)C[NH2+]C(C)C)c2c1[C@H]1CCCCC[C@@H]21 ZINC000027872255 207332486 /nfs/dbraw/zinc/33/24/86/207332486.db2.gz YLBWVHADZBYSLQ-OKZBNKHCSA-N 1 0 388.552 4.308 1 0 GIAFRO CN(C(=O)COc1c(Cl)cccc1Cl)[C@@H]1CCCC[C@H]1[NH+]1CCCC1 ZINC000027887835 207332514 /nfs/dbraw/zinc/33/25/14/207332514.db2.gz QXOXWUJXNQZXSV-IAGOWNOFSA-N 1 0 385.335 4.238 1 0 GIAFRO CN(C)c1cccc2c1cc(-c1ccc(Cl)cc1)nc2N1CC[NH+](C)CC1 ZINC000027522301 207325428 /nfs/dbraw/zinc/32/54/28/207325428.db2.gz MCQUMVWUMGSPRV-UHFFFAOYSA-N 1 0 380.923 4.373 1 0 GIAFRO COc1ccc([C@@H]2CC=CCN([C@@H](C[NH+]3CCCC3)c3ccccc3)C2=O)cc1 ZINC000028383868 207340306 /nfs/dbraw/zinc/34/03/06/207340306.db2.gz UUZWUUSCTGUCEH-ZEQRLZLVSA-N 1 0 390.527 4.404 1 0 GIAFRO COc1ccc([C@H]2CC=CCN([C@@H](C[NH+]3CCCC3)c3ccccc3)C2=O)cc1 ZINC000028383873 207340602 /nfs/dbraw/zinc/34/06/02/207340602.db2.gz UUZWUUSCTGUCEH-RPWUZVMVSA-N 1 0 390.527 4.404 1 0 GIAFRO COc1ccc([C@H]2CC=CCN([C@H](C[NH+]3CCCC3)c3ccccc3)C2=O)cc1 ZINC000028383883 207340824 /nfs/dbraw/zinc/34/08/24/207340824.db2.gz UUZWUUSCTGUCEH-DNQXCXABSA-N 1 0 390.527 4.404 1 0 GIAFRO Clc1ccc2[nH]nc(NC3CC[NH+](Cc4ccc5nsnc5c4)CC3)c2c1 ZINC000028529867 207343163 /nfs/dbraw/zinc/34/31/63/207343163.db2.gz UHFIBCWVGOXCKG-UHFFFAOYSA-N 1 0 398.923 4.298 1 0 GIAFRO C[N@@H+]1CCC[C@H]1Cc1cn(S(=O)(=O)c2ccc(Cl)s2)c2ccccc12 ZINC000028525792 207343651 /nfs/dbraw/zinc/34/36/51/207343651.db2.gz LAQSHBWWRPPHMF-AWEZNQCLSA-N 1 0 394.949 4.230 1 0 GIAFRO CC(=O)C1=NN(c2cc(C)ccc2F)C[C@@]1(CCC[NH+](C)C)c1ccccc1 ZINC000028953547 207350737 /nfs/dbraw/zinc/35/07/37/207350737.db2.gz FTEPMVFWUZEGMB-QHCPKHFHSA-N 1 0 381.495 4.179 1 0 GIAFRO CC[C@@H]1CC2(C[C@H](CC)[NH2+]1)C(=O)N(Cc1ccccc1)C(=O)N2c1ccccc1 ZINC000028971279 207353281 /nfs/dbraw/zinc/35/32/81/207353281.db2.gz FUFYUAFRDIRSHD-VXMMSVGHSA-N 1 0 391.515 4.335 1 0 GIAFRO C1=C(c2ccc(CCN3CCOCC3)cc2)[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000029128148 207354657 /nfs/dbraw/zinc/35/46/57/207354657.db2.gz UNRGMCLRRBQICS-AHWVRZQESA-N 1 0 388.555 4.097 1 0 GIAFRO C[NH2+]CC[C@H](c1ccccc1)n1c(=O)n(-c2ccccc2F)c2cccc(F)c21 ZINC000034986675 207482406 /nfs/dbraw/zinc/48/24/06/207482406.db2.gz NIAVVXCRSHJORD-LJQANCHMSA-N 1 0 393.437 4.269 1 0 GIAFRO CCCCc1c2c(ccc(OC)c2OC)cc2[n+]1CCc1cc3c(cc1-2)OCO3 ZINC000036444609 207530742 /nfs/dbraw/zinc/53/07/42/207530742.db2.gz NLMMWMOCSXZRFN-UHFFFAOYSA-N 1 0 392.475 4.439 1 0 GIAFRO Cc1nc2ccccc2c(=O)n1-c1ccc(O[C@@H]2CC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000045484528 207658648 /nfs/dbraw/zinc/65/86/48/207658648.db2.gz RWNXKETUEWVUIP-PZJWPPBQSA-N 1 0 389.499 4.090 1 0 GIAFRO COc1ccc([C@@H]([NH3+])c2ccc3sc(-c4ccnc(N)n4)c(C)c3c2)cc1 ZINC000049045247 207705975 /nfs/dbraw/zinc/70/59/75/207705975.db2.gz WOXPVFLBCQFWPE-LJQANCHMSA-N 1 0 376.485 4.306 1 0 GIAFRO CC(C)n1c2ccc(S(=O)(=O)c3ccccc3)cc2c2c1C[C@@H]1CC[C@H]2[NH2+]1 ZINC000082153138 208082958 /nfs/dbraw/zinc/08/29/58/208082958.db2.gz LFEAFGOATXWVAQ-HNAYVOBHSA-N 1 0 380.513 4.404 1 0 GIAFRO CC(C)[C@H](C(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)c1ccccc1 ZINC000084670371 208095194 /nfs/dbraw/zinc/09/51/94/208095194.db2.gz HEVYJRZHYSRHDM-QPXUXIHVSA-N 1 0 376.544 4.453 1 0 GIAFRO C[C@H]1CCC[N@@H+]1[C@@H]1CCN(c2ccc(NC(=O)c3ccccc3N(C)C)cc2)C1 ZINC000096929235 208329392 /nfs/dbraw/zinc/32/93/92/208329392.db2.gz SMGGVEANRVALLD-GHTZIAJQSA-N 1 0 392.547 4.068 1 0 GIAFRO COc1ccc(C(=O)Nc2ccc(N3CC[C@@H]([N@@H+]4CCC[C@@H]4C)C3)cc2)cc1 ZINC000096929227 208329616 /nfs/dbraw/zinc/32/96/16/208329616.db2.gz GAHOQBHYBQXWSW-LAUBAEHRSA-N 1 0 379.504 4.011 1 0 GIAFRO [NH3+]CCC(=O)N1CCc2c3cc(Cl)ccc3[nH]c2[C@@H]1c1c[nH]c2ccccc21 ZINC000049808168 581098575 /nfs/dbraw/zinc/09/85/75/581098575.db2.gz RZWDIJSUPRNDRE-QFIPXVFZSA-N 1 0 392.890 4.126 1 0 GIAFRO CSC[C@H](c1nccc2c1[nH]c1ccc(O)c(Br)c12)[NH+](C)C ZINC000015209766 206262523 /nfs/dbraw/zinc/26/25/23/206262523.db2.gz UXXSAQIRPRDAQT-LLVKDONJSA-N 1 0 380.311 4.150 1 0 GIAFRO OCCN1CC[NH+]([C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)c3ccccc32)CC1 ZINC000000596855 206308318 /nfs/dbraw/zinc/30/83/18/206308318.db2.gz KZIRWQDAAMOPNE-NQIIRXRSSA-N 1 0 391.342 4.180 1 0 GIAFRO CCOC(=O)c1c(CC)c(C(=O)SCC)c(CC)[n+](C)c1-c1ccccc1 ZINC000002022436 206396037 /nfs/dbraw/zinc/39/60/37/206396037.db2.gz KTSBDIPORAODJT-UHFFFAOYSA-N 1 0 386.537 4.373 1 0 GIAFRO COc1ccc2c(c1)C[C@@H](n1c(CC[NH2+]Cc3ccccc3)c[nH]c1=S)CO2 ZINC000013681210 206988430 /nfs/dbraw/zinc/98/84/30/206988430.db2.gz AMHOPCZYGXZAKW-LJQANCHMSA-N 1 0 395.528 4.063 1 0 GIAFRO C[NH2+]CC[C@H](Oc1ccc(I)cc1C)c1ccccc1 ZINC000013730731 206994512 /nfs/dbraw/zinc/99/45/12/206994512.db2.gz QECBYSWGSWJZPS-KRWDZBQOSA-N 1 0 381.257 4.329 1 0 GIAFRO O[C@@H](C[NH+]1CCC2(CCc3ccccc32)CC1)c1cccc(Br)c1 ZINC000013766746 207000148 /nfs/dbraw/zinc/00/01/48/207000148.db2.gz DXHPZDGAIGSHFQ-FQEVSTJZSA-N 1 0 386.333 4.463 1 0 GIAFRO CCC[N@H+](C/C=C/I)[C@@H]1CCc2cccc(OC)c2C1 ZINC000013833400 207002266 /nfs/dbraw/zinc/00/22/66/207002266.db2.gz NBAJLSFGMWTKML-HYJLXUOHSA-N 1 0 385.289 4.213 1 0 GIAFRO CCC[N@H+](C/C=C/I)[C@H]1CCc2cccc(OC)c2C1 ZINC000013833401 207002876 /nfs/dbraw/zinc/00/28/76/207002876.db2.gz NBAJLSFGMWTKML-RNOHYWCBSA-N 1 0 385.289 4.213 1 0 GIAFRO CC[NH+](CC)CCCNc1ncc2cc(-c3c(C)cccc3C)c(N)nc2n1 ZINC000013862905 207002961 /nfs/dbraw/zinc/00/29/61/207002961.db2.gz MAHHICHAEAGUTG-UHFFFAOYSA-N 1 0 378.524 4.035 1 0 GIAFRO c1cnn(-c2ccc3c(c2)[nH]nc3-c2cc3cc(C[NH+]4CCCCC4)ccc3[nH]2)n1 ZINC000014949266 207032077 /nfs/dbraw/zinc/03/20/77/207032077.db2.gz NMDXBIIYGMMZCL-UHFFFAOYSA-N 1 0 397.486 4.278 1 0 GIAFRO [NH3+][C@H]1CN(c2cc(-c3ccsc3)ncn2)C[C@@H]1c1ccc(Cl)cc1Cl ZINC000014958718 207035055 /nfs/dbraw/zinc/03/50/55/207035055.db2.gz XNMANXSJGMEZSD-ZBFHGGJFSA-N 1 0 391.327 4.443 1 0 GIAFRO COc1ccc([C@H]2C=CC[N@H+](CC(C)C)CC(=O)N2Cc2cccc(F)c2)cc1 ZINC000018101164 207092267 /nfs/dbraw/zinc/09/22/67/207092267.db2.gz IRRUMAHLWIUQQB-HSZRJFAPSA-N 1 0 396.506 4.432 3 0 GIAFRO COc1ccc(-c2cs/c(=N\CC3CC[NH2+]CC3)n2-c2ccccc2)cc1 ZINC000019851177 207167257 /nfs/dbraw/zinc/16/72/57/207167257.db2.gz NGRNUTGGTMECEG-GYHWCHFESA-N 1 0 379.529 4.115 1 0 GIAFRO CC[NH+]1CCN([C@@H]2Cn3cccc3Sc3ccc(Br)cc32)CC1 ZINC000022925271 207265356 /nfs/dbraw/zinc/26/53/56/207265356.db2.gz PHGLWACKDGVPPP-MRXNPFEDSA-N 1 0 392.366 4.094 1 0 GIAFRO O[C@H]1CCN(Cc2ccc(F)cc2)C[C@@H]1[N@H+]1[C@@H]2CC[C@H]1CC(c1ccccc1)C2 ZINC000022938841 207266543 /nfs/dbraw/zinc/26/65/43/207266543.db2.gz NFSPGABTRZUJES-LQNDFPKKSA-N 1 0 394.534 4.172 1 0 GIAFRO COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1OC(c1ccc(C)cc1)c1ccc(C)cc1)[N@@H+]2C ZINC000027206529 207323932 /nfs/dbraw/zinc/32/39/32/207323932.db2.gz BRDDKFGREBLJEO-GSPCLOLRSA-N 1 0 393.527 4.434 1 0 GIAFRO COc1ccc(C(=O)c2c(C)n(C[C@@H]3CSCC[N@@H+]3C)c3ccccc32)cc1 ZINC000026272644 207311843 /nfs/dbraw/zinc/31/18/43/207311843.db2.gz LNTRJQSUSFTUQB-GOSISDBHSA-N 1 0 394.540 4.237 1 0 GIAFRO CN1C[C@@H](CC[N@H+](C)Cc2ccc(C(C)(C)C)cc2)Oc2ncccc2C1=S ZINC000026279610 207312025 /nfs/dbraw/zinc/31/20/25/207312025.db2.gz XJBVHMJFSVNXIB-LJQANCHMSA-N 1 0 397.588 4.270 1 0 GIAFRO C[NH+](C)CCN1C(=O)c2cccc3nc(-c4ccc5ccccc5c4)cc(c32)C1=O ZINC000026294695 207312167 /nfs/dbraw/zinc/31/21/67/207312167.db2.gz MQOXSMNNNPYKOX-UHFFFAOYSA-N 1 0 395.462 4.213 1 0 GIAFRO Cc1cccc(N2CNC(=O)C23CC[NH+]([C@H]2Cc4cccc5cccc2c45)CC3)c1 ZINC000026404035 207313091 /nfs/dbraw/zinc/31/30/91/207313091.db2.gz OYPFPMBBUXREEU-QHCPKHFHSA-N 1 0 397.522 4.174 1 0 GIAFRO CC[C@@H](C)[N@@H+](C[C@H](O)[C@H]1CCC(=O)N1Cc1ccccc1Cl)[C@@H](C)CC ZINC000027709679 207330374 /nfs/dbraw/zinc/33/03/74/207330374.db2.gz YNGZJSALRCLELM-GJJHYRHESA-N 1 0 380.960 4.091 1 0 GIAFRO COc1cccc([C@H]2Sc3ccccc3N2C(C)=O)c1OCCC[NH+](C)C ZINC000028015199 207333107 /nfs/dbraw/zinc/33/31/07/207333107.db2.gz BFCSLYSEETZFDH-OAQYLSRUSA-N 1 0 386.517 4.183 1 0 GIAFRO C[N@H+]1CC=C(c2cn(S(=O)(=O)c3cccc(Cl)c3)c3ccccc23)CC1 ZINC000028130446 207334924 /nfs/dbraw/zinc/33/49/24/207334924.db2.gz FPRZVIQCJRSZQP-UHFFFAOYSA-N 1 0 386.904 4.251 1 0 GIAFRO CC(C)CN1C[C@H](C[NH2+]CCc2c[nH]c3ccc(F)cc23)Oc2ccccc21 ZINC000028571169 207345047 /nfs/dbraw/zinc/34/50/47/207345047.db2.gz SBHYFFVEUPXWKL-IBGZPJMESA-N 1 0 381.495 4.363 1 0 GIAFRO CCC(=O)N(c1ccc(Cl)c(Cl)c1)[C@@H]1CCC[C@H]1N(C)CC[NH+](C)C ZINC000028243563 207338045 /nfs/dbraw/zinc/33/80/45/207338045.db2.gz GQMCGDJMEUHAGU-QZTJIDSGSA-N 1 0 386.367 4.151 1 0 GIAFRO O=Cc1ccc(-c2ccc(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)cc2)cc1 ZINC000028389758 207340460 /nfs/dbraw/zinc/34/04/60/207340460.db2.gz BHDBAXKIQHUACJ-XMMPIXPASA-N 1 0 384.479 4.170 1 0 GIAFRO Fc1ccc2[nH]cc(CCC[NH2+][C@@H]3COc4ccc5ncccc5c4C3)c2c1 ZINC000028821544 207349702 /nfs/dbraw/zinc/34/97/02/207349702.db2.gz SUYYHJRBIBNGLJ-KRWDZBQOSA-N 1 0 375.447 4.381 1 0 GIAFRO CC[N@@H+]1CC[C@@](O)(c2ccc(Cl)cc2)[C@@H](C(=O)c2ccc(Cl)cc2)C1 ZINC000031851168 207386587 /nfs/dbraw/zinc/38/65/87/207386587.db2.gz LFQIXZHWOHBULT-UYAOXDASSA-N 1 0 378.299 4.406 1 0 GIAFRO C[NH+](C)CCCNCc1nccc2c3ccccc3n(Cc3ccc(F)cc3)c21 ZINC000072118241 207972447 /nfs/dbraw/zinc/97/24/47/207972447.db2.gz QVXQXYLNMJZGBV-UHFFFAOYSA-N 1 0 390.506 4.418 1 0 GIAFRO C[NH+](C)Cc1cc(I)ccc1Sc1ccccc1N ZINC000095593142 208237345 /nfs/dbraw/zinc/23/73/45/208237345.db2.gz GTPAPSXOSQWTAV-UHFFFAOYSA-N 1 0 384.286 4.086 1 0 GIAFRO O=C(NC1CCC1)C1CC[NH+]([C@H](c2ccccc2)c2cc(F)cc(F)c2)CC1 ZINC000096901807 208326191 /nfs/dbraw/zinc/32/61/91/208326191.db2.gz MTKJEGCDFABAFP-JOCHJYFZSA-N 1 0 384.470 4.435 1 0 GIAFRO O=C(NC1CCCCC1)N1C[C@@H]2[NH2+][C@H](C1)[C@@H]2c1ccc(-c2ccc(F)cc2)cc1 ZINC000100107913 208371576 /nfs/dbraw/zinc/37/15/76/208371576.db2.gz KKQZKEDHPFGRLM-JKHIJQBDSA-N 1 0 393.506 4.275 1 0 GIAFRO NC(=O)c1cccc(O[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3[C@@H]2CCCc3ccccc32)c1 ZINC000101366420 208391533 /nfs/dbraw/zinc/39/15/33/208391533.db2.gz YLGCOVVLUSGKGA-MHXAIHSWSA-N 1 0 376.500 4.237 1 0 GIAFRO O=C1CCCCN1c1ccc(Oc2ccc3c(c2)CC[N@H+](C2CCC2)CC3)nc1 ZINC000103242293 136190936 /nfs/dbraw/zinc/19/09/36/136190936.db2.gz YEIQCMOYDGMRQH-UHFFFAOYSA-N 1 0 391.515 4.344 1 0 GIAFRO CC1(C)Cc2cc(Cl)ccc2C(N[C@H](Cc2ccccc2)c2nnco2)=[NH+]1 ZINC000095603291 222359601 /nfs/dbraw/zinc/35/96/01/222359601.db2.gz BWOIXOCKMIWTRJ-GOSISDBHSA-N 1 0 380.879 4.378 1 0 GIAFRO Cc1cc2nc(N[C@H]3CC[C@H]([NH3+])CC3)cc(Nc3ccc(F)c(Cl)c3)n2n1 ZINC000101556868 222474289 /nfs/dbraw/zinc/47/42/89/222474289.db2.gz UZFSNHVYEFHDBN-BETUJISGSA-N 1 0 388.878 4.256 1 0 GIAFRO CN1C(=O)Cc2cc3c(cc21)onc3CCC1CC[NH+](Cc2ccccc2)CC1 ZINC000001488164 206384568 /nfs/dbraw/zinc/38/45/68/206384568.db2.gz GBRYDMXCJVBJHH-UHFFFAOYSA-N 1 0 389.499 4.192 1 0 GIAFRO CCCNC(=O)C[n+]1c2ccccc2n2nc3c4cccc5cccc(c3cc21)c45 ZINC000004661731 206538175 /nfs/dbraw/zinc/53/81/75/206538175.db2.gz MWYFDRCLIPYVQU-UHFFFAOYSA-O 1 0 393.470 4.102 1 0 GIAFRO COc1ccc([C@@H]([NH3+])[C@@H](N)c2c(Cl)cc(OC)cc2Cl)c(Cl)c1 ZINC000022931051 207265478 /nfs/dbraw/zinc/26/54/78/207265478.db2.gz VTAKBMQYRCVUKQ-CVEARBPZSA-N 1 0 375.683 4.364 1 0 GIAFRO Brc1ccc2ccn(CCN3CCC[N@@H+](C4CCCC4)CC3)c2c1 ZINC000022939958 207267050 /nfs/dbraw/zinc/26/70/50/207267050.db2.gz WGMZLURHTWILIL-UHFFFAOYSA-N 1 0 390.369 4.354 1 0 GIAFRO CO[C@H](C)C(=O)N(c1ccccc1F)[C@H]1CC[N@H+](CCc2ccccc2)C[C@@H]1C ZINC000026735436 207317130 /nfs/dbraw/zinc/31/71/30/207317130.db2.gz FRLCLTFQCIWDIX-JQVVWYNYSA-N 1 0 398.522 4.147 1 0 GIAFRO CC[C@H](C)[NH+](C[C@@H](O)[C@H]1CCC(=O)N1Cc1ccccc1Cl)[C@@H](C)CC ZINC000027707067 207330478 /nfs/dbraw/zinc/33/04/78/207330478.db2.gz YNGZJSALRCLELM-XAMWDVODSA-N 1 0 380.960 4.091 1 0 GIAFRO CC[N@@H+]1CC[C@H]2[C@H](c3ccc(COC(=O)NC)cc3)c3cc(C)ccc3[C@H]2C1 ZINC000027863386 207331655 /nfs/dbraw/zinc/33/16/55/207331655.db2.gz SPFFQDIFNJWWBQ-MZYLBHOOSA-N 1 0 378.516 4.422 1 0 GIAFRO CSc1sc(C(N)=[NH2+])cc1-c1csc(Nc2ccc3c(c2)OCO3)n1 ZINC000028008236 207333909 /nfs/dbraw/zinc/33/39/09/207333909.db2.gz DTCAUEXDOPXMBP-UHFFFAOYSA-N 1 0 390.515 4.350 1 0 GIAFRO COC(=O)[C@@]1(c2ccc(OC)cc2)C[C@H]1C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000028635007 207345066 /nfs/dbraw/zinc/34/50/66/207345066.db2.gz KNKFPQOWTXYRMB-WIOPSUGQSA-N 1 0 393.527 4.081 1 0 GIAFRO CN1C(=O)Cc2cc3onc(CCC4CC[NH+](Cc5ccccc5)CC4)c3cc21 ZINC000028461148 207342256 /nfs/dbraw/zinc/34/22/56/207342256.db2.gz FWOCRPGNZYJWBL-UHFFFAOYSA-N 1 0 389.499 4.192 1 0 GIAFRO Cc1ccc(-c2cc(-c3c[nH]c4ccccc34)nc(N3CC[NH+](C)CC3)n2)cc1 ZINC000028474990 207342760 /nfs/dbraw/zinc/34/27/60/207342760.db2.gz RCMIEROKIIDBNK-UHFFFAOYSA-N 1 0 383.499 4.352 1 0 GIAFRO FC(F)(F)c1ccc(-c2nc(Cc3ccccc3)nc3c2CC[NH2+]CC3)cc1 ZINC000029126543 207356431 /nfs/dbraw/zinc/35/64/31/207356431.db2.gz MKVDTCNMTYYTHU-UHFFFAOYSA-N 1 0 383.417 4.441 1 0 GIAFRO Cc1[nH+]c2c(n1Cc1ccc(-c3ccccc3-c3nn[nH]n3)cc1)CCCCC2 ZINC000029328017 207361195 /nfs/dbraw/zinc/36/11/95/207361195.db2.gz XZDKLLKYHXAZLS-UHFFFAOYSA-N 1 0 384.487 4.356 1 0 GIAFRO C[N@H+]1CC=C(c2c[nH]c3ccc(NC(=S)NC(=O)c4ccccc4)cc32)CC1 ZINC000034805983 207474179 /nfs/dbraw/zinc/47/41/79/207474179.db2.gz WLVQDSCVFJYKIP-UHFFFAOYSA-N 1 0 390.512 4.014 1 0 GIAFRO C[NH2+]CCCOc1ccc(-n2c3ccc(F)cc3nc2-c2ccccn2)cc1 ZINC000040980519 207619860 /nfs/dbraw/zinc/61/98/60/207619860.db2.gz BAMHLWXAOUZMMD-UHFFFAOYSA-N 1 0 376.435 4.215 1 0 GIAFRO O=C1c2ccc(F)cc2C[C@H]1CC[N@@H+]1CCCN(c2ccc(Cl)cc2)CC1 ZINC000073199172 208034474 /nfs/dbraw/zinc/03/44/74/208034474.db2.gz TUSPVTWVRDALHT-MRXNPFEDSA-N 1 0 386.898 4.437 1 0 GIAFRO CNC(=O)c1cccc(C(SCC[NH3+])(c2ccccc2)c2ccccc2)c1 ZINC000084635202 208093220 /nfs/dbraw/zinc/09/32/20/208093220.db2.gz WRQUIXFAFPZCFQ-UHFFFAOYSA-N 1 0 376.525 4.030 1 0 GIAFRO C[N@@H+]1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]21CC[C@]2(OC(C)(C)C(C)(C)[C@H]2C1)[C@@H]3O5 ZINC000084758956 208097872 /nfs/dbraw/zinc/09/78/72/208097872.db2.gz FTOZVQKYOSPMCR-CVJYJHGOSA-N 1 0 395.543 4.025 1 0 GIAFRO Fc1ccc2c(c1)c1c(n2CCCOc2ccc(F)c(F)c2F)CC[NH2+]C1 ZINC000169350531 208732021 /nfs/dbraw/zinc/73/20/21/208732021.db2.gz RVYLQHRRGGJUCM-UHFFFAOYSA-N 1 0 378.369 4.313 1 0 GIAFRO O=C(Nc1ccc(N2CC[NH2+]CC2)cc1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000084596668 136175047 /nfs/dbraw/zinc/17/50/47/136175047.db2.gz QGNVFBKITUGHJH-UHFFFAOYSA-N 1 0 398.919 4.125 1 0 GIAFRO CCn1cc(C[NH+]2CCC(C(=O)NCc3ccc(F)cc3)CC2)c2ccccc21 ZINC000065060110 222098451 /nfs/dbraw/zinc/09/84/51/222098451.db2.gz UXXUECWFIALGLY-UHFFFAOYSA-N 1 0 393.506 4.329 1 0 GIAFRO CCc1c(N[C@H]2CC[C@H]([NH3+])CC2)nc2ccnn2c1Nc1ccccc1Cl ZINC000101556578 222474058 /nfs/dbraw/zinc/47/40/58/222474058.db2.gz GEGHZQQXQVCRQJ-OKILXGFUSA-N 1 0 384.915 4.371 1 0 GIAFRO COc1ccc(C[N@H+]2[C@@H]3CCC[C@H]2CC(NC(=O)/C=C/c2ccccc2)C3)cc1 ZINC000001370585 206376054 /nfs/dbraw/zinc/37/60/54/206376054.db2.gz OVEFVKDQJZTAFY-KIEZTHHASA-N 1 0 390.527 4.410 1 0 GIAFRO COc1cccc2c1CCC[C@H]2[NH2+]CCN1CCN(c2ccc(Cl)cc2)CC1 ZINC000026673251 207317639 /nfs/dbraw/zinc/31/76/39/207317639.db2.gz CIXHJOHVILFKGB-JOCHJYFZSA-N 1 0 399.966 4.138 1 0 GIAFRO O=C(N[C@H]1CC[N@@H+](CCc2ccc(Cl)cc2)C1)C12CC3CC(CC(C3)C1)C2 ZINC000026495767 207315243 /nfs/dbraw/zinc/31/52/43/207315243.db2.gz BDIRBTIHOFXWTG-FCSDKFEESA-N 1 0 386.967 4.289 1 0 GIAFRO C[NH2+]CCCCOc1ccc(OC)cc1[C@@H]1Sc2ccccc2N1C(C)=O ZINC000028006031 207333511 /nfs/dbraw/zinc/33/35/11/207333511.db2.gz UMUOAHYADICHJL-NRFANRHFSA-N 1 0 386.517 4.231 1 0 GIAFRO COc1cccc(-c2ccc3c(c2)C[C@@H]2OC(=O)[C@H](CCCCC(N)=[NH2+])[C@@H]32)c1 ZINC000027437702 207325247 /nfs/dbraw/zinc/32/52/47/207325247.db2.gz JXTNFIXKYVZXDP-RZUBCFFCSA-N 1 0 378.472 4.040 1 0 GIAFRO Cc1ccc([C@@H](CC[NH+](C)C)NC(=O)Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000028653953 207346715 /nfs/dbraw/zinc/34/67/15/207346715.db2.gz YGHUNFFFQIJFLS-LJQANCHMSA-N 1 0 378.438 4.366 1 0 GIAFRO CC[C@@](O)(c1ccccc1)[NH+]1CCC(NC(=O)c2cccc3ccccc32)CC1 ZINC000028707244 207347107 /nfs/dbraw/zinc/34/71/07/207347107.db2.gz GZABSIWUPRMDGW-RUZDIDTESA-N 1 0 388.511 4.289 1 0 GIAFRO CC1(C)CC[C@@H]([NH+]2CCC3(CC2)C(=O)NCN3c2ccccc2)c2ccccc21 ZINC000028886254 207351542 /nfs/dbraw/zinc/35/15/42/207351542.db2.gz ZIXQUQCWRLXDRC-JOCHJYFZSA-N 1 0 389.543 4.228 1 0 GIAFRO COc1cc(N)c(Cl)cc1NC(=O)C1CC[NH+](CC2CCCCC2)CC1 ZINC000029466263 207363065 /nfs/dbraw/zinc/36/30/65/207363065.db2.gz SPYNMANJXYAQRM-UHFFFAOYSA-N 1 0 379.932 4.162 1 0 GIAFRO COc1cc(N)c(Cl)cc1NC(=O)C1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000029471522 207363150 /nfs/dbraw/zinc/36/31/50/207363150.db2.gz HDZBESGTKUCGOC-UHFFFAOYSA-N 1 0 387.911 4.090 1 0 GIAFRO Fc1cnc(N2CC[NH+](CCCCc3ccc(F)c4ccccc34)CC2)nc1 ZINC000029566034 207364541 /nfs/dbraw/zinc/36/45/41/207364541.db2.gz CREVRAFFOUPVBT-UHFFFAOYSA-N 1 0 382.458 4.053 1 0 GIAFRO CC(C)CNC(=O)c1ccc(C2=CC3(CC[NH2+]CC3)Oc3ccccc32)cc1 ZINC000043069600 207628104 /nfs/dbraw/zinc/62/81/04/207628104.db2.gz KGMWKNNGHUFCIH-UHFFFAOYSA-N 1 0 376.500 4.019 1 0 GIAFRO C[C@H]1[C@H](c2cccc(Cl)c2)OCC(C)(C)N1C(=O)CC[NH+]1CCCCC1 ZINC000045209723 207649909 /nfs/dbraw/zinc/64/99/09/207649909.db2.gz KLWRRDGRZPNIEA-OXJNMPFZSA-N 1 0 378.944 4.283 1 0 GIAFRO CO[C@H]1Cc2c(cnn2-c2ccccc2)C2(CC[NH+](CC3CCCCC3)CC2)O1 ZINC000072116462 207972173 /nfs/dbraw/zinc/97/21/73/207972173.db2.gz VXFHKYALKRURJZ-HSZRJFAPSA-N 1 0 395.547 4.289 1 0 GIAFRO Cc1c(C2=CC[NH2+]CC2)c2cc(Cl)ccc2n1S(=O)(=O)c1ccccc1 ZINC000096905424 208327147 /nfs/dbraw/zinc/32/71/47/208327147.db2.gz IVGYYISAORQJID-UHFFFAOYSA-N 1 0 386.904 4.217 1 0 GIAFRO On1ncc(C2CC[NH2+]CC2)c1-c1cn(Cc2ccccc2)c(-c2ccccc2)n1 ZINC000096913325 208327827 /nfs/dbraw/zinc/32/78/27/208327827.db2.gz CXNUOOTVTMVRCI-UHFFFAOYSA-N 1 0 399.498 4.166 1 0 GIAFRO CCc1nn(-c2ccccc2)c2cc(N3CCN(c4cc[nH+]cc4)CC3)ccc12 ZINC000072179082 136167506 /nfs/dbraw/zinc/16/75/06/136167506.db2.gz XLKKASACQYNDAV-UHFFFAOYSA-N 1 0 383.499 4.310 1 0 GIAFRO Clc1cccc(N2CC[NH+](CCCCNc3ccccn3)CC2)c1Cl ZINC000058582822 581095155 /nfs/dbraw/zinc/09/51/55/581095155.db2.gz HGJYUXFMUSKRHL-UHFFFAOYSA-N 1 0 379.335 4.403 1 0 GIAFRO CCOc1cc2c(cc1O)CC[n+]1cc3cc(OCC)c(OCC)cc3cc1-2 ZINC000059587887 291136859 /nfs/dbraw/zinc/13/68/59/291136859.db2.gz WXPUYAGZQRNSQF-UHFFFAOYSA-O 1 0 380.464 4.252 1 0 biogenic,in-vitro GIAFRO COc1c(O)ccc(CCC(=O)C[C@H]2C[C@H](C)CCO2)c1-c1ccc(C[NH3+])cc1 ZINC000085597469 291137322 /nfs/dbraw/zinc/13/73/22/291137322.db2.gz HLCZCZIBZRBAOS-IIBYNOLFSA-N 1 0 397.515 4.233 1 0 biogenic,in-vitro GIAFRO O=C(c1ccco1)N(c1cccnc1)C1CC[NH+](CCc2ccccc2)CC1 ZINC000000596859 206290132 /nfs/dbraw/zinc/29/01/32/206290132.db2.gz GLLIECZDUOJGOH-UHFFFAOYSA-N 1 0 375.472 4.029 1 0 GIAFRO C[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)[C@H](CSCC(=O)N2CCCCC2)C1 ZINC000013677476 206988436 /nfs/dbraw/zinc/98/84/36/206988436.db2.gz VXDYZTDYUKVXNJ-HKUYNNGSSA-N 1 0 380.985 4.121 1 0 GIAFRO COc1ccc(CC[NH2+]C[C@@]2(C)CCc3c(C)c(O)c(C)c(C)c3O2)cc1OC ZINC000013651333 206986674 /nfs/dbraw/zinc/98/66/74/206986674.db2.gz FWMGIECEDIUFSN-XMMPIXPASA-N 1 0 399.531 4.251 1 0 GIAFRO FC(F)(F)c1cc(Nc2nccc(-c3ccncc3)n2)ccc1-n1ccnc1 ZINC000026655828 207318402 /nfs/dbraw/zinc/31/84/02/207318402.db2.gz AFKWNRCLQDGIPI-UHFFFAOYSA-N 1 0 382.349 4.487 1 0 GIAFRO COc1cc(C[C@@H]2[NH2+]CCc3cc(Cl)c(Cl)cc32)cc(OC)c1OC ZINC000026400289 207312597 /nfs/dbraw/zinc/31/25/97/207312597.db2.gz QZBUIYILWKWSEV-INIZCTEOSA-N 1 0 382.287 4.449 1 0 GIAFRO C[NH+](C)C[C@H]1c2ccccc2CCN1C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000026579192 207316172 /nfs/dbraw/zinc/31/61/72/207316172.db2.gz XOVBJTUJGIYBMN-IBGZPJMESA-N 1 0 377.315 4.224 1 0 GIAFRO Oc1ccc2c3c1O[C@H]1c4[nH]c5ccccc5c4C[C@H]4[C@H](C2)[N@@H+](CC2CC2)CC[C@@]314 ZINC000026579314 207316345 /nfs/dbraw/zinc/31/63/45/207316345.db2.gz IYMLCJZYVKMKSH-KBCVXPAYSA-N 1 0 398.506 4.458 1 0 GIAFRO CC[C@@H]1[C@@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@@H+]3CC2CCC2)[C@@H](O5)C(=O)C1(C)C ZINC000027746556 207330629 /nfs/dbraw/zinc/33/06/29/207330629.db2.gz HGCNZOPXONAAQN-GMCONJOTSA-N 1 0 395.543 4.073 1 0 GIAFRO [NH3+][C@@H]1Cc2c3cc(O)ccc3n3c2[C@@H]2[C@H]1CCC[C@]2(Cc1ccccc1)CC3=O ZINC000027896366 207331234 /nfs/dbraw/zinc/33/12/34/207331234.db2.gz RQKAPJVLVSKZKF-BYTLBFQTSA-N 1 0 386.495 4.387 1 0 GIAFRO COc1ccc(CC(=O)N[C@@H](CC[NH+](C)C)c2ccc3ccccc3c2)cc1 ZINC000028654029 207347170 /nfs/dbraw/zinc/34/71/70/207347170.db2.gz SYDWSPRQZNMSQS-QHCPKHFHSA-N 1 0 376.500 4.200 1 0 GIAFRO C[C@@H](O)C[NH+]1CCC(c2cc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)CC1 ZINC000028527829 207343147 /nfs/dbraw/zinc/34/31/47/207343147.db2.gz BNZXWZGNVGNTIB-MRXNPFEDSA-N 1 0 379.479 4.443 1 0 GIAFRO CC(=O)NC1(c2ccc(Cl)cc2)CC[NH+](Cc2c[nH]c3ccccc23)CC1 ZINC000028878402 207350228 /nfs/dbraw/zinc/35/02/28/207350228.db2.gz IPQCNTXEUDGNJY-UHFFFAOYSA-N 1 0 381.907 4.449 1 0 GIAFRO COC(=O)[C@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(-c3ccc(C(C)=O)cc3)cc1)[N@@H+]2C ZINC000029477593 207362333 /nfs/dbraw/zinc/36/23/33/207362333.db2.gz QOGDDOWLBRAWFT-WBADGQHESA-N 1 0 377.484 4.296 1 0 GIAFRO C[NH+]1CCN(C2=Nc3ccc(Br)cc3CC=C2c2ccccc2)CC1 ZINC000040640110 207601488 /nfs/dbraw/zinc/60/14/88/207601488.db2.gz BBGRAXIFNBPHIN-UHFFFAOYSA-N 1 0 396.332 4.366 1 0 GIAFRO CS(=O)(=O)c1ccc(C(SCC[NH3+])(c2ccccc2)c2ccccc2)cc1 ZINC000084632009 208093794 /nfs/dbraw/zinc/09/37/94/208093794.db2.gz SHAMGINNMCXAKS-UHFFFAOYSA-N 1 0 397.565 4.074 1 0 GIAFRO Cc1nn2c(nc(C(F)(F)F)cc2NCC[NH+](C)C)c1-c1ccc(C)cc1 ZINC000095562100 208231604 /nfs/dbraw/zinc/23/16/04/208231604.db2.gz HDSFBVTZOWFRCV-UHFFFAOYSA-N 1 0 377.414 4.005 1 0 GIAFRO CCCC[C@H](C)[C@@H]1C[C@]23C=C[C@]1(OC)[C@@H]1Oc4c5c(ccc4O)C[C@H]2[NH2+]CC[C@]513 ZINC000095554285 208231840 /nfs/dbraw/zinc/23/18/40/208231840.db2.gz YMMSTFUUPZBVDO-WKUDJTRWSA-N 1 0 395.543 4.097 1 0 GIAFRO CC[C@H](C)C(=O)Oc1ccc([C@@H](O)C[NH2+]C(C)(C)C)cc1OC(=O)[C@@H](C)CC ZINC000149639882 208488137 /nfs/dbraw/zinc/48/81/37/208488137.db2.gz HQLFPHIXYWCPLH-ZOBUZTSGSA-N 1 0 393.524 4.011 1 0 GIAFRO C[NH+]1CCN(c2nc(-c3ccncc3)nc3sc4c(c32)CCCCCC4)CC1 ZINC000096903265 136187632 /nfs/dbraw/zinc/18/76/32/136187632.db2.gz PBYZLFRAJAMZBA-UHFFFAOYSA-N 1 0 393.560 4.164 1 0 GIAFRO CC1(C)Cc2cc(Cl)ccc2C(N[C@@H](Cc2ccccc2)c2nnco2)=[NH+]1 ZINC000095603290 222359182 /nfs/dbraw/zinc/35/91/82/222359182.db2.gz BWOIXOCKMIWTRJ-SFHVURJKSA-N 1 0 380.879 4.378 1 0 GIAFRO CCOC(=O)C1CC[NH+](CCC(=O)c2ccc(OCc3ccccc3)cc2)CC1 ZINC000013741928 581095257 /nfs/dbraw/zinc/09/52/57/581095257.db2.gz GSXUGPBBKGBXEF-UHFFFAOYSA-N 1 0 395.499 4.114 1 0 GIAFRO CC[NH+](CC)Cc1ccc(C=Cc2cc(-c3cc4c(nc[nH]c4=O)[nH]3)ccn2)cc1 ZINC000060129784 581095764 /nfs/dbraw/zinc/09/57/64/581095764.db2.gz KQJAABRPYRXXCA-MDZDMXLPSA-N 1 0 399.498 4.325 1 0 GIAFRO CC[N@@H+]1CC[C@](O)(c2ccc(Cl)cc2)[C@@H](C(=O)c2ccc(Cl)cc2)C1 ZINC000001633174 206387119 /nfs/dbraw/zinc/38/71/19/206387119.db2.gz LFQIXZHWOHBULT-QUCCMNQESA-N 1 0 378.299 4.406 1 0 GIAFRO CC[N@@H+]1CCc2cc(OC)cc(Br)c2[C@H]1Cc1ccccc1O ZINC000013805167 207000546 /nfs/dbraw/zinc/00/05/46/207000546.db2.gz TYEIZCYTFJEVNL-QGZVFWFLSA-N 1 0 376.294 4.325 1 0 GIAFRO [NH3+]CCCN(c1ccc(=O)n(-c2ccccc2Cl)n1)c1ccccc1Cl ZINC000014961544 207034297 /nfs/dbraw/zinc/03/42/97/207034297.db2.gz APBVMOUFGHLMMC-UHFFFAOYSA-N 1 0 389.286 4.026 1 0 GIAFRO CCc1c(C)[nH]c2c1C(=O)[C@H](C[NH+]1CCC(C(=O)c3ccc(F)cc3)CC1)CC2 ZINC000027108934 207322829 /nfs/dbraw/zinc/32/28/29/207322829.db2.gz GWVOHCYMSGOUCP-SFHVURJKSA-N 1 0 396.506 4.365 1 0 GIAFRO O[C@@H](c1cc(C(F)(F)F)nc2c1cccc2C(F)(F)F)[C@H]1CCC[NH2+]C1 ZINC000026288422 207312073 /nfs/dbraw/zinc/31/20/73/207312073.db2.gz FIFJMFXFFGFNHW-BJOHPYRUSA-N 1 0 378.316 4.305 1 0 GIAFRO Cc1cccc(N2CNC(=O)C23CC[NH+]([C@@H]2Cc4cccc5cccc2c45)CC3)c1 ZINC000026404033 207313429 /nfs/dbraw/zinc/31/34/29/207313429.db2.gz OYPFPMBBUXREEU-HSZRJFAPSA-N 1 0 397.522 4.174 1 0 GIAFRO c1ccc2c(c1)cccc2CCO[C@@H]1CCCC[C@H]1[N@@H+]1CCC2(C1)OCCO2 ZINC000028653762 207346744 /nfs/dbraw/zinc/34/67/44/207346744.db2.gz AGODJIYXHHMETP-DHIUTWEWSA-N 1 0 381.516 4.159 1 0 GIAFRO C[N@@H+]1CCC[C@@H]1Cc1cn(S(=O)(=O)c2ccccc2)c2ccc(Cl)cc12 ZINC000028121735 207335508 /nfs/dbraw/zinc/33/55/08/207335508.db2.gz UKKAXWAHUHWUQF-QGZVFWFLSA-N 1 0 388.920 4.168 1 0 GIAFRO CCCCOCCOc1c(OC)cc(N[C@@H](C)CCC[NH3+])c2nccc(C)c21 ZINC000028221427 207336572 /nfs/dbraw/zinc/33/65/72/207336572.db2.gz YHIUDDWUDADZJX-KRWDZBQOSA-N 1 0 389.540 4.287 1 0 GIAFRO C[NH+]1CCC(N2CNc3ccc(NC(=O)c4ccc(F)cc4Cl)cc32)CC1 ZINC000028393306 207341021 /nfs/dbraw/zinc/34/10/21/207341021.db2.gz HORYMJPSJIHJTK-UHFFFAOYSA-N 1 0 388.874 4.015 1 0 GIAFRO O=Cc1ccc(-c2ccc(C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)cc2)cc1 ZINC000028389763 207341068 /nfs/dbraw/zinc/34/10/68/207341068.db2.gz BHDBAXKIQHUACJ-DEOSSOPVSA-N 1 0 384.479 4.170 1 0 GIAFRO O=c1[nH]c(C2=C[C@H]([N@@H+]3CC=C(c4ccc(F)cc4)CC3)CC2)nc2ccccc12 ZINC000028954697 207351664 /nfs/dbraw/zinc/35/16/64/207351664.db2.gz QXUCMOLLZKKAIW-HXUWFJFHSA-N 1 0 387.458 4.397 1 0 GIAFRO [NH3+][C@@H]1CN(c2nccc(-c3ccsc3)n2)C[C@@H]1c1ccc(Cl)cc1Cl ZINC000028899529 207352184 /nfs/dbraw/zinc/35/21/84/207352184.db2.gz ISIAZPQCRKPGLU-GDBMZVCRSA-N 1 0 391.327 4.443 1 0 GIAFRO C[C@@H]1CC[C@@H](C)[NH+]1Cc1ccc2c(c1)-c1nc(N)nc(-c3ccccc3)c1C2=O ZINC000043204865 207630897 /nfs/dbraw/zinc/63/08/97/207630897.db2.gz GQNKLNZBZDEAMD-HUUCEWRRSA-N 1 0 384.483 4.310 1 0 GIAFRO Cn1c2ccc(S(=O)(=O)c3ccccc3Cl)cc2c2c1C[C@H]1CC[C@@H]2[NH2+]1 ZINC000073198009 208034556 /nfs/dbraw/zinc/03/45/56/208034556.db2.gz DCRNVIQIHXGGBH-WBMJQRKESA-N 1 0 386.904 4.014 1 0 GIAFRO CCOC(=O)C[C@H]1Cc2sccc2C2(CC[NH+](Cc3ccccc3)CC2)O1 ZINC000084757465 208098835 /nfs/dbraw/zinc/09/88/35/208098835.db2.gz BVOZTBCOMSOLRD-GOSISDBHSA-N 1 0 385.529 4.134 1 0 GIAFRO O=c1cc(-c2cccc3[nH]ccc32)c2ccccc2n1C[C@H]1C[NH+]2CCC1CC2 ZINC000101668889 208395565 /nfs/dbraw/zinc/39/55/65/208395565.db2.gz IOTQYEJCFAERLM-GOSISDBHSA-N 1 0 383.495 4.492 1 0 GIAFRO C[NH+]1CCN(c2nc(-c3ccccn3)nc3sc4c(c32)CCCCCC4)CC1 ZINC000096903266 136187601 /nfs/dbraw/zinc/18/76/01/136187601.db2.gz STOHJMQABBUFES-UHFFFAOYSA-N 1 0 393.560 4.164 1 0 GIAFRO [NH3+]C[C@H]1CN(c2ccc(C(F)(F)F)cc2)C(=O)C[C@@H]1c1cc(F)ccc1F ZINC000169312403 136197157 /nfs/dbraw/zinc/19/71/57/136197157.db2.gz OTDBHGLRLRKILV-NHYWBVRUSA-N 1 0 384.348 4.079 1 0 GIAFRO [NH3+][C@H]1CN(c2ccnc(-c3ccsc3)n2)C[C@@H]1c1ccc(Cl)cc1Cl ZINC000014958714 210134209 /nfs/dbraw/zinc/13/42/09/210134209.db2.gz PJWKDMOHPZSOHK-ZBFHGGJFSA-N 1 0 391.327 4.443 1 0 GIAFRO CC1(C)c2cc(CC[NH+]3CCN(c4cccc5ccccc54)CC3)ccc2NC1=O ZINC000013822234 210094112 /nfs/dbraw/zinc/09/41/12/210094112.db2.gz YYWPITZZELMSNP-UHFFFAOYSA-N 1 0 399.538 4.434 1 0 GIAFRO Clc1ccc2nc(N3CC[NH+](Cc4ccccc4)CC3)c3cccn3c2c1 ZINC000013762480 210090757 /nfs/dbraw/zinc/09/07/57/210090757.db2.gz YMQVTFAERCACRG-UHFFFAOYSA-N 1 0 376.891 4.463 1 0 GIAFRO CCCCN(CC)c1cc(C)[nH+]c2c1NC(=O)CN2c1ccc(OC)cc1C ZINC000013584812 210070242 /nfs/dbraw/zinc/07/02/42/210070242.db2.gz LYSNALHFMZZUFA-UHFFFAOYSA-N 1 0 382.508 4.424 1 0 GIAFRO CCCCOc1cccc2c1[C@]13CC[N@H+](CC4CC4)[C@H](C2)[C@]1(OC)CCC(=O)C3 ZINC000013580321 210069547 /nfs/dbraw/zinc/06/95/47/210069547.db2.gz ONTSMVMHZIYPME-QLBJFCOMSA-N 1 0 397.559 4.282 1 0 GIAFRO O=C(Cc1ccccc1)NC1CC[NH+](Cc2ccccc2C(F)(F)F)CC1 ZINC000013470618 210063716 /nfs/dbraw/zinc/06/37/16/210063716.db2.gz UQFICAINGRVRPU-UHFFFAOYSA-N 1 0 376.422 4.029 1 0 GIAFRO O[C@@H]1c2ccc(F)cc2C[C@H]1[NH+]1CCC(c2cc(F)cc3c2OCCC3)CC1 ZINC000013471805 210063003 /nfs/dbraw/zinc/06/30/03/210063003.db2.gz IIGYZZJHNCEURP-FGZHOGPDSA-N 1 0 385.454 4.128 1 0 GIAFRO C[C@@]12CCC[C@@](O)(C1)[C@@H]1C[C@@]3(CCC[C@H]3C[NH2+]C3CCCCC3)[C@@H]1[C@H](O)C2 ZINC000085547581 291138601 /nfs/dbraw/zinc/13/86/01/291138601.db2.gz WFTSAWYFMSRLIM-HWAKQELZSA-N 1 0 375.597 4.407 1 0 biogenic,in-vitro GIAFRO O=C(OCCC[18F])[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1cccc(/C=C\Br)c1)[NH2+]2 ZINC000149577371 211500732 /nfs/dbraw/zinc/50/07/32/211500732.db2.gz VKZWZSZGPDLBNV-QQYXIMEVSA-N 1 0 395.303 4.179 1 0 GIAFRO On1cc(C2CC[NH2+]CC2)c(-c2cn(Cc3ccccc3)c(-c3ccccc3)n2)n1 ZINC000096910962 211350240 /nfs/dbraw/zinc/35/02/40/211350240.db2.gz WKMUEHICTZESCZ-UHFFFAOYSA-N 1 0 399.498 4.166 1 0 GIAFRO O=C1N=C2C(=Cc3ccc(Cl)cc3)C[NH2+]CC2[C@@H](c2ccc(Cl)cc2)N1 ZINC000096270590 211328780 /nfs/dbraw/zinc/32/87/80/211328780.db2.gz KKSPYLPVRMHOQR-MOVXZBDNSA-N 1 0 386.282 4.288 1 0 GIAFRO O=C1N=C2C(=Cc3ccc(Cl)cc3)C[NH2+]CC2[C@H](c2ccc(Cl)cc2)N1 ZINC000096270591 211328147 /nfs/dbraw/zinc/32/81/47/211328147.db2.gz KKSPYLPVRMHOQR-MXHVWWQHSA-N 1 0 386.282 4.288 1 0 GIAFRO Cn1cnc(-c2ccc3c(c2)c(C2CC[NH+](C)CC2)cn3-c2ccc(F)cc2)n1 ZINC000095583045 211280112 /nfs/dbraw/zinc/28/01/12/211280112.db2.gz QHNXJRSEHMJHRM-UHFFFAOYSA-N 1 0 389.478 4.374 1 0 GIAFRO O=C(N[C@@H](c1ccc(Cl)cc1)C1CC[NH2+]CC1)c1ccc2cnccc2c1 ZINC000072180022 211081355 /nfs/dbraw/zinc/08/13/55/211081355.db2.gz JKMRXGNFZRTSJG-NRFANRHFSA-N 1 0 379.891 4.359 1 0 GIAFRO [NH3+]Cc1occc1CN(Cc1nc2ccccc2[nH]1)[C@@H]1CCCc2cccnc21 ZINC000066264056 211002616 /nfs/dbraw/zinc/00/26/16/211002616.db2.gz GIRXCLXKZAXSDM-HXUWFJFHSA-N 1 0 387.487 4.089 1 0 GIAFRO [NH3+][C@@H]1CN(c2cc(-c3ccsc3)ncn2)C[C@@H]1c1ccc(Cl)cc1Cl ZINC000028899538 210535873 /nfs/dbraw/zinc/53/58/73/210535873.db2.gz XNMANXSJGMEZSD-GDBMZVCRSA-N 1 0 391.327 4.443 1 0 GIAFRO CC(C)N(CCCC[NH3+])C(=O)c1c(Cc2ccc(O)cc2)[nH]c2ccccc21 ZINC000028825885 210534915 /nfs/dbraw/zinc/53/49/15/210534915.db2.gz KXVAWUJBOPKCRZ-UHFFFAOYSA-N 1 0 379.504 4.054 1 0 GIAFRO Cc1ccc2c(cccc2N2CC[NH+](CCc3cccc(-n4cccn4)c3)CC2)n1 ZINC000066252315 136164429 /nfs/dbraw/zinc/16/44/29/136164429.db2.gz SIMNKURLSFAWDZ-UHFFFAOYSA-N 1 0 397.526 4.094 1 0 GIAFRO Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)cn2C1CC[NH2+]CC1 ZINC000008582010 581098459 /nfs/dbraw/zinc/09/84/59/581098459.db2.gz HDNBYWUROCXFTK-UHFFFAOYSA-N 1 0 385.471 4.397 1 0 GIAFRO COc1ccc([C@@H]2C=CC[N@H+](CC(C)C)CC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000018128133 210214820 /nfs/dbraw/zinc/21/48/20/210214820.db2.gz FZDZRMOMSMXZRC-QHCPKHFHSA-N 1 0 396.506 4.432 3 0 GIAFRO COc1ccc([C@@H]2C=CC[N@H+](CC3CC3)CC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000018119293 210214875 /nfs/dbraw/zinc/21/48/75/210214875.db2.gz YFMFCAMAWSFOKK-QHCPKHFHSA-N 1 0 394.490 4.186 3 0 GIAFRO COc1ccccc1-c1nc(N)c(C[NH3+])c(-c2ccc(Cl)cc2Cl)n1 ZINC000014948347 210131949 /nfs/dbraw/zinc/13/19/49/210131949.db2.gz BIYMREOFZJCVAE-UHFFFAOYSA-N 1 0 375.259 4.167 1 0 GIAFRO CC(=O)N(c1ccc(Br)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000013817811 210091984 /nfs/dbraw/zinc/09/19/84/210091984.db2.gz SQVDABXKZMOOSK-UHFFFAOYSA-N 1 0 387.321 4.467 1 0 GIAFRO O=C(O[C@H]1C[NH+]2CCC1CC2)N1CCc2ccccc2[C@H]1Cc1ccccc1 ZINC000013674436 210078016 /nfs/dbraw/zinc/07/80/16/210078016.db2.gz QVJDPQPQRZODAN-PKTZIBPZSA-N 1 0 376.500 4.059 1 0 GIAFRO C[N@@H+]1CC[C@H](c2ccc(Cl)cc2)[C@H](CSCC(=O)N2CCCCC2)C1 ZINC000013677522 210077323 /nfs/dbraw/zinc/07/73/23/210077323.db2.gz VXDYZTDYUKVXNJ-PKOBYXMFSA-N 1 0 380.985 4.121 1 0 GIAFRO O=c1[nH]c(CCC[N@H+]2CC=C(c3ccccc3)CC2)nc2c(Cl)cccc12 ZINC000013581550 210068809 /nfs/dbraw/zinc/06/88/09/210068809.db2.gz RTHFDNGPDMXTQU-UHFFFAOYSA-N 1 0 379.891 4.298 1 0 GIAFRO C[N@@H+]1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@@H]2Cc1cc(-c2ccccc2)cnc1[C@@H]3O5 ZINC000013559699 210066699 /nfs/dbraw/zinc/06/66/99/210066699.db2.gz GRNLHIJZMLLROK-RXJAJXMTSA-N 1 0 396.490 4.258 1 0 GIAFRO [NH3+][C@H]1CC[C@@](c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000100420035 211385656 /nfs/dbraw/zinc/38/56/56/211385656.db2.gz PPTRQEYYBDSZBD-PPUGGXLSSA-N 1 0 385.863 4.189 1 0 GIAFRO Cc1cccnc1C[NH+]1CCC2(CCN(c3ccc(OC(C)C)cc3)C2=O)CC1 ZINC000096286140 211332024 /nfs/dbraw/zinc/33/20/24/211332024.db2.gz VLNZDYWRAHVWHB-UHFFFAOYSA-N 1 0 393.531 4.196 1 0 GIAFRO Cn1c2ccc(S(=O)(=O)c3cccc(Cl)c3)cc2c2c1C[C@H]1CC[C@@H]2[NH2+]1 ZINC000072316665 211090393 /nfs/dbraw/zinc/09/03/93/211090393.db2.gz DCGVXRIATHGRTP-DYVFJYSZSA-N 1 0 386.904 4.014 1 0 GIAFRO O=C(N[C@@H](c1ccc(Cl)c(Cl)c1)C1C[NH2+]C1)c1ccc2cnccc2c1 ZINC000072178908 211081350 /nfs/dbraw/zinc/08/13/50/211081350.db2.gz TWAIYMKBHKNSRO-IBGZPJMESA-N 1 0 386.282 4.232 1 0 GIAFRO CN1C(=O)[C@@H](C[NH+]2CCCCC2)C[C@H]1c1cnc(-c2ccccc2Cl)s1 ZINC000035932079 210699077 /nfs/dbraw/zinc/69/90/77/210699077.db2.gz BYRXTRIVTYAFPL-PBHICJAKSA-N 1 0 389.952 4.469 1 0 GIAFRO COc1ccccc1C(=O)Nc1ccnn1C1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000011933497 221137326 /nfs/dbraw/zinc/13/73/26/221137326.db2.gz KZDWVNUTRYYBGK-GOSISDBHSA-N 1 0 394.519 4.137 3 0 GIAFRO NC(=O)c1ccc2c(c1)CCCN2c1ccc(C[NH2+]C2Cc3ccccc3C2)cc1 ZINC000066058793 136164291 /nfs/dbraw/zinc/16/42/91/136164291.db2.gz WAMNYXSYMFPZCW-UHFFFAOYSA-N 1 0 397.522 4.127 1 0 GIAFRO c1cc2c(cccc2-c2ccc3c(n[nH]c3-c3ccc(N4CC[NH2+]CC4)cc3)n2)[nH]1 ZINC000073129637 136171427 /nfs/dbraw/zinc/17/14/27/136171427.db2.gz LVBGEVIMGXRIPY-UHFFFAOYSA-N 1 0 394.482 4.183 1 0 GIAFRO COc1ccccc1N1CC[NH+]([C@@H](c2ccccc2)[C@@H](O)c2ccccc2)CC1 ZINC000169334369 537069469 /nfs/dbraw/zinc/06/94/69/537069469.db2.gz RYBKCSDAQTWVRQ-DQEYMECFSA-N 1 0 388.511 4.292 1 0 GIAFRO C/C(=C1\CC(=O)N(c2ccc(C(C)(C)C)cc2)C1=O)c1cccc(C(N)=[NH2+])c1 ZINC000012354982 581093905 /nfs/dbraw/zinc/09/39/05/581093905.db2.gz ZGTXQBGGQAQPFQ-RGEXLXHISA-N 1 0 375.472 4.005 1 0 GIAFRO CC(C)c1occc1S(=O)(=O)c1ccc(OCCC[NH2+]C(C)(C)C)cc1 ZINC000013827207 210093544 /nfs/dbraw/zinc/09/35/44/210093544.db2.gz HNDRRVMJIJNNNR-UHFFFAOYSA-N 1 0 379.522 4.393 1 0 GIAFRO COc1cc2[nH+]cc(CO)c(Nc3cccc(Br)c3)c2cc1OC ZINC000013812991 210092857 /nfs/dbraw/zinc/09/28/57/210092857.db2.gz NMNOCAWQEQWSTF-UHFFFAOYSA-N 1 0 389.249 4.250 1 0 GIAFRO c1ccc2c(c1)CCCC=C2CC[NH+]1CCN(c2cccc3c2OCCO3)CC1 ZINC000013743678 210088745 /nfs/dbraw/zinc/08/87/45/210088745.db2.gz GXSXVVWXSRXEPP-UHFFFAOYSA-N 1 0 390.527 4.390 1 0 GIAFRO COc1cc(O)c([C@@H](CC[NH+]2CCCC2)c2ccc(N(C)C)cc2)c(OC)c1 ZINC000013661649 210076459 /nfs/dbraw/zinc/07/64/59/210076459.db2.gz CBKINESZAJBQJQ-FQEVSTJZSA-N 1 0 384.520 4.093 3 0 GIAFRO CC(C)[NH+](C[C@H](O)COc1ccc(O)cc1C(=O)CCc1ccccc1)C(C)C ZINC000013529373 210064794 /nfs/dbraw/zinc/06/47/94/210064794.db2.gz JSNDCQGRLFHLCA-NRFANRHFSA-N 1 0 399.531 4.066 1 0 GIAFRO O=C(NCC[C@@H]1C[NH+]=C(c2ccccc2)c2ccccc2N1)c1cccs1 ZINC000013525928 210065080 /nfs/dbraw/zinc/06/50/80/210065080.db2.gz VAIUHFYOMQHXGV-QGZVFWFLSA-N 1 0 375.497 4.200 1 0 GIAFRO C[N@H+]1[C@@H]2CC[C@H]1CC(=CC(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1)C2 ZINC000013470040 210062761 /nfs/dbraw/zinc/06/27/61/210062761.db2.gz NNRPWFPWLGYDNQ-OYRHEFFESA-N 1 0 382.454 4.353 1 0 GIAFRO CCOC(=O)C[C@@H]1Cc2ccccc2C2(CC[NH+](Cc3ccccc3)CC2)O1 ZINC000013491895 210062457 /nfs/dbraw/zinc/06/24/57/210062457.db2.gz BFYFCBBJFMGJDA-NRFANRHFSA-N 1 0 379.500 4.072 1 0 GIAFRO C=C1[NH2+]C(=C)C(C(=O)OCC)C(c2cccc(-n3ccnc3)c2)C1C(=O)OCC ZINC000000597414 209250248 /nfs/dbraw/zinc/25/02/48/209250248.db2.gz SCKCGIGTXSIKIU-QOJBNDRUSA-N 1 0 395.459 4.074 1 0 GIAFRO C=C1[NH2+]C(=C)C(C(=O)OCC)C(c2cccc(-n3ccnc3)c2)C1C(=O)OCC ZINC000100035906 211382857 /nfs/dbraw/zinc/38/28/57/211382857.db2.gz SCKCGIGTXSIKIU-ASBZNUFUSA-N 1 0 395.459 4.074 1 0 GIAFRO COc1cccc(-c2ccc([C@@H]3[C@@H]4CN(Cc5cccc(F)c5)C[C@H]3[NH2+]4)cc2)c1 ZINC000100107025 211381505 /nfs/dbraw/zinc/38/15/05/211381505.db2.gz DXIQKAGUCHZAAR-LNWKWYTESA-N 1 0 388.486 4.441 1 0 GIAFRO CC(C)n1ncnc1-c1nc2c(s1)CCOc1cc([C@H]3CCC[NH2+]3)ccc1-2 ZINC000096269664 211328299 /nfs/dbraw/zinc/32/82/99/211328299.db2.gz SSALYFTWJFAWDV-OAHLLOKOSA-N 1 0 381.505 4.009 1 0 GIAFRO CCOC(=O)c1ccc2c(c1)c1ccccc1n2CCC[N@H+]1C[C@@H](C)N[C@@H](C)C1 ZINC000073168499 211125555 /nfs/dbraw/zinc/12/55/55/211125555.db2.gz OLMQTOGVUOQEDF-HDICACEKSA-N 1 0 393.531 4.044 1 0 GIAFRO Cn1c2ccc(S(=O)(=O)c3ccccc3Cl)cc2c2c1C[C@@H]1CC[C@H]2[NH2+]1 ZINC000073198010 211125698 /nfs/dbraw/zinc/12/56/98/211125698.db2.gz DCRNVIQIHXGGBH-BLLLJJGKSA-N 1 0 386.904 4.014 1 0 GIAFRO Cn1c2ccc(S(=O)(=O)c3cccc(Cl)c3)cc2c2c1C[C@@H]1CC[C@H]2[NH2+]1 ZINC000072316666 211089678 /nfs/dbraw/zinc/08/96/78/211089678.db2.gz DCGVXRIATHGRTP-SUMWQHHRSA-N 1 0 386.904 4.014 1 0 GIAFRO CCCC[N@@H+]1CCc2cc(OC)c(OC)c3c2[C@H]1Cc1cc2c(cc1-3)OCO2 ZINC000072118897 211069517 /nfs/dbraw/zinc/06/95/17/211069517.db2.gz KYGNMEFUIYHKAE-QGZVFWFLSA-N 1 0 381.472 4.355 1 0 GIAFRO C[NH+]1CCN(C2=Nc3ccccc3CC=C2c2ccc(Br)cc2)CC1 ZINC000040466887 210788448 /nfs/dbraw/zinc/78/84/48/210788448.db2.gz UTFFTJKWWNTQDH-UHFFFAOYSA-N 1 0 396.332 4.366 1 0 GIAFRO Cc1ccc(N2CNC(=O)C23CC[NH+]([C@@H]2Cc4cccc5cccc2c45)CC3)cc1 ZINC000026399285 210497139 /nfs/dbraw/zinc/49/71/39/210497139.db2.gz HXAMTTDIZAWFKT-HSZRJFAPSA-N 1 0 397.522 4.174 1 0 GIAFRO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(-c4ccccn4)cc3)cc2)CC1 ZINC000096273164 136186012 /nfs/dbraw/zinc/18/60/12/136186012.db2.gz ZSTGWKVANQXSPG-UHFFFAOYSA-N 1 0 386.499 4.143 1 0 GIAFRO O=S(=O)(c1ccc(Cl)cc1)n1cc(C2=CC[NH2+]CC2)c2cc(F)ccc21 ZINC000028129662 221667613 /nfs/dbraw/zinc/66/76/13/221667613.db2.gz NEMWOCRYCNXLKU-UHFFFAOYSA-N 1 0 390.867 4.048 1 0 GIAFRO COc1ccccc1N1CC[NH+]([C@@H](c2ccccc2)[C@H](O)c2ccccc2)CC1 ZINC000169334374 537069369 /nfs/dbraw/zinc/06/93/69/537069369.db2.gz RYBKCSDAQTWVRQ-LOSJGSFVSA-N 1 0 388.511 4.292 1 0 GIAFRO Cc1cccc(Cl)c1Nc1nc2c(cccc2N2CCOCC2)n2c[nH+]cc12 ZINC000026570359 581092841 /nfs/dbraw/zinc/09/28/41/581092841.db2.gz OXGBMPASCCYPGM-UHFFFAOYSA-N 1 0 393.878 4.425 1 0 GIAFRO Clc1ccc(-c2[nH]nc(N3CC[N@@H+]4CCC[C@H]4C3)c2-c2ccncc2)cc1 ZINC000014970891 210135383 /nfs/dbraw/zinc/13/53/83/210135383.db2.gz AKMUGCMCOYELTD-SFHVURJKSA-N 1 0 379.895 4.077 1 0 GIAFRO c1cn(-c2ccc3c(c2)[nH]nc3-c2cc3cc(C[NH+]4CCCCC4)ccc3[nH]2)nn1 ZINC000014949257 210132034 /nfs/dbraw/zinc/13/20/34/210132034.db2.gz AIDWTYRIDDCANO-UHFFFAOYSA-N 1 0 397.486 4.278 1 0 GIAFRO Cc1cc(-c2c(-c3ccc(F)cc3)ncn2CCC[NH+]2CCOCC2)cc(C)n1 ZINC000013759012 210087979 /nfs/dbraw/zinc/08/79/79/210087979.db2.gz RPGNTCCOEVQWIP-UHFFFAOYSA-N 1 0 394.494 4.090 1 0 GIAFRO COc1ccc(CC[NH2+]C[C@]2(C)CCc3c(C)c(O)c(C)c(C)c3O2)cc1OC ZINC000013651334 210075960 /nfs/dbraw/zinc/07/59/60/210075960.db2.gz FWMGIECEDIUFSN-DEOSSOPVSA-N 1 0 399.531 4.251 1 0 GIAFRO CC[C@H](C)[C@H]1C[NH+]=C(N)N1CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000013662155 210075995 /nfs/dbraw/zinc/07/59/95/210075995.db2.gz JPJRQHSTSXMSNH-IINYFYTJSA-N 1 0 381.364 4.312 3 0 GIAFRO COc1ccc2c(c1)C[C@@H](C[NH+]1CCC(C(=O)c3ccc(F)cc3)CC1)CC2=O ZINC000013589202 210071480 /nfs/dbraw/zinc/07/14/80/210071480.db2.gz FCXJOLOVMMCCLB-MRXNPFEDSA-N 1 0 395.474 4.174 1 0 GIAFRO O=C(NCC[C@H]1C[NH+]=C(c2ccccc2)c2ccccc2N1)c1cccs1 ZINC000013525932 210064832 /nfs/dbraw/zinc/06/48/32/210064832.db2.gz VAIUHFYOMQHXGV-KRWDZBQOSA-N 1 0 375.497 4.200 1 0 GIAFRO Ic1ccc(O[C@@H](c2ccccc2)C2CC[NH2+]CC2)cc1 ZINC000013530875 210064589 /nfs/dbraw/zinc/06/45/89/210064589.db2.gz SYSNRBOWLLUVAY-SFHVURJKSA-N 1 0 393.268 4.411 1 0 GIAFRO CC(C)[NH+](C[C@@H](O)COc1ccccc1[C@H](O)CCc1ccccc1)C(C)C ZINC000013529062 210064225 /nfs/dbraw/zinc/06/42/25/210064225.db2.gz DNWOJSUBWJDTES-FYYLOGMGSA-N 1 0 385.548 4.211 1 0 GIAFRO O=C1Nc2cccc3c2[C@]1(CCCC[NH+]1CCN(c2ccccc2)CC1)CCC3 ZINC000013473674 210062722 /nfs/dbraw/zinc/06/27/22/210062722.db2.gz OSNLZQMWBCDMGV-VWLOTQADSA-N 1 0 389.543 4.205 1 0 GIAFRO CC(C)CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[C@H]([C@H](C)c3ccc(C=O)cc3)N3C[C@]23O)C1 ZINC000085547876 291135539 /nfs/dbraw/zinc/13/55/39/291135539.db2.gz RKXQBFQVQBLOGW-RQXSHZHRSA-N 1 0 398.591 4.190 1 0 biogenic,in-vitro GIAFRO O=C1Cc2cc3onc(CCC4CC[NH+](Cc5ccccc5)CC4)c3cc2N1 ZINC000000580312 209250901 /nfs/dbraw/zinc/25/09/01/209250901.db2.gz GDDBSWQWOFNCSG-UHFFFAOYSA-N 1 0 375.472 4.167 1 0 GIAFRO CN1c2ccccc2C(c2ccccc2)=[NH+]C[C@@H]1CCNC(=O)c1cccs1 ZINC000000593691 209250062 /nfs/dbraw/zinc/25/00/62/209250062.db2.gz PYCHFYLMMMZMSJ-SFHVURJKSA-N 1 0 389.524 4.224 1 0 GIAFRO O=c1cc(-c2ccccc2Cl)oc2c(CN3CC[NH2+]CC3)cc(Cl)cc12 ZINC000103206216 211422813 /nfs/dbraw/zinc/42/28/13/211422813.db2.gz LYXARNREHQMEDA-UHFFFAOYSA-N 1 0 389.282 4.172 1 0 GIAFRO O=c1nc2c(c3[nH]c(-c4ccccc4F)cn31)C[N@H+](CC1CCCCC1)CC2 ZINC000100928844 211394615 /nfs/dbraw/zinc/39/46/15/211394615.db2.gz MNLXGBVUKOEYDJ-UHFFFAOYSA-N 1 0 380.467 4.179 1 0 GIAFRO CC(=O)SCCC(=O)NCCCCNc1c2ccccc2[nH+]c2c1CCCC2 ZINC000084727291 211174073 /nfs/dbraw/zinc/17/40/73/211174073.db2.gz ODNHORRQJLFLLT-UHFFFAOYSA-N 1 0 399.560 4.092 1 0 GIAFRO CC1CCN(C(=O)c2ccc3c(c2)c2c(n3C)CC[N@H+](C3CCCC3)C2)CC1 ZINC000073197843 211125624 /nfs/dbraw/zinc/12/56/24/211125624.db2.gz AMHQJYVBDKPZSA-UHFFFAOYSA-N 1 0 379.548 4.351 1 0 GIAFRO COc1cc(-c2nc(C[N@@H+]3CC[C@@H]4CCCC[C@@H]4C3)co2)cc(OC)c1OC ZINC000072181562 211081575 /nfs/dbraw/zinc/08/15/75/211081575.db2.gz UACPQLTZPMDTMX-JKSUJKDBSA-N 1 0 386.492 4.380 1 0 GIAFRO CCCC[N@@H+]1CCc2cc(OC)c(OC)c3c2[C@@H]1Cc1cc2c(cc1-3)OCO2 ZINC000072118896 211069016 /nfs/dbraw/zinc/06/90/16/211069016.db2.gz KYGNMEFUIYHKAE-KRWDZBQOSA-N 1 0 381.472 4.355 1 0 GIAFRO [NH3+][C@@H](Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000071318619 211045805 /nfs/dbraw/zinc/04/58/05/211045805.db2.gz GAQCDUGVDCYPBQ-IBGZPJMESA-N 1 0 378.859 4.080 1 0 GIAFRO COc1cc2c(cc1OC)S[C@H](C(=O)CCc1cc[n+](CC3CCC3)cc1)C2 ZINC000028456842 210527010 /nfs/dbraw/zinc/52/70/10/210527010.db2.gz XHRVEAIUOVPSMY-QHCPKHFHSA-N 1 0 398.548 4.010 1 0 GIAFRO CC[C@H](c1ccn2c(c1)nc(-c1ccc(F)cc1)c2-c1ccnc(N)n1)[NH+](C)C ZINC000040973467 221937266 /nfs/dbraw/zinc/93/72/66/221937266.db2.gz PKWNHRGUHZKXHZ-GOSISDBHSA-N 1 0 390.466 4.192 1 0 GIAFRO Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(c1)onc2C1CC[NH2+]CC1 ZINC000003938228 581092853 /nfs/dbraw/zinc/09/28/53/581092853.db2.gz UEWLDVUSFNQXKA-UHFFFAOYSA-N 1 0 375.472 4.162 1 0 GIAFRO [NH3+][C@H]1CN(c2nccc(-c3ccccc3)n2)C[C@@H]1c1ccc(Cl)cc1Cl ZINC000014958706 210133918 /nfs/dbraw/zinc/13/39/18/210133918.db2.gz ANEZVMLVQSLOFS-AEFFLSMTSA-N 1 0 385.298 4.382 1 0 GIAFRO CC[C@@H](C)[C@H]1C[NH+]=C(N)N1CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000013662153 210076164 /nfs/dbraw/zinc/07/61/64/210076164.db2.gz JPJRQHSTSXMSNH-QMTHXVAHSA-N 1 0 381.364 4.312 3 0 GIAFRO Oc1ccc2c3c1O[C@H]1c4[nH]c5ccccc5c4C[C@@H]4[C@@H](C2)[N@@H+](CC2CC2)CC[C@]314 ZINC000013555466 210066558 /nfs/dbraw/zinc/06/65/58/210066558.db2.gz IYMLCJZYVKMKSH-LZQWRSJTSA-N 1 0 398.506 4.458 1 0 GIAFRO CC1CC[NH+](CC[C@H]2CCCN2S(=O)(=O)c2cccc3ccccc32)CC1 ZINC000013531258 210066027 /nfs/dbraw/zinc/06/60/27/210066027.db2.gz VCFMMDVFGUQTHR-HXUWFJFHSA-N 1 0 386.561 4.115 1 0 GIAFRO COc1cccc([C@@]23CCC[C@@H](C2)[N@H+](C)C[C@@H]3OC(=O)c2ccccc2)c1OC ZINC000001657966 209334691 /nfs/dbraw/zinc/33/46/91/209334691.db2.gz BEGZOARTFIXUBE-NSXLHWASSA-N 1 0 395.499 4.055 1 0 GIAFRO CC1(C)CC(n2cnc(-c3ccc(F)cc3)c2-c2ccnc(N)n2)CC(C)(C)[NH2+]1 ZINC000001488955 209330524 /nfs/dbraw/zinc/33/05/24/209330524.db2.gz QQJUCFIPZAVTEU-UHFFFAOYSA-N 1 0 394.498 4.210 1 0 GIAFRO CCn1c2ccccc2n([C@@H]2CC[N@H+](CC3CCCCCCC3)C[C@@H]2CO)c1=O ZINC000096306272 209239334 /nfs/dbraw/zinc/23/93/34/209239334.db2.gz MBGVUMXBUGIIBQ-NHCUHLMSSA-N 1 0 399.579 4.039 1 0 GIAFRO C[C@@]1(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)CCC2(CC2)C(N)=[NH+]1 ZINC000096929122 211352902 /nfs/dbraw/zinc/35/29/02/211352902.db2.gz RAZJMBZQZOFYHI-IBGZPJMESA-N 1 0 386.858 4.273 1 0 GIAFRO Cc1ccc(F)cc1C(=O)Nc1ccc(N2CC[C@@H]([N@H+]3CCC[C@@H]3C)C2)cc1 ZINC000096929241 211352509 /nfs/dbraw/zinc/35/25/09/211352509.db2.gz VRGKQMUSWKTAOP-LAUBAEHRSA-N 1 0 381.495 4.449 1 0 GIAFRO Cc1ccccc1-c1ccc([C@H]2[C@H](CO)N3CCCC[N@H+](CC4CC4)C[C@@H]23)cc1 ZINC000095876973 211282300 /nfs/dbraw/zinc/28/23/00/211282300.db2.gz VXYWKBKVONATQO-KKUQBAQOSA-N 1 0 390.571 4.297 1 0 GIAFRO Cc1cc2c(c(=O)o1)C=C1CC[C@H]([C@@H](C)C[NH2+]Cc3ccc(O)cc3)C[C@@H]1O2 ZINC000095553451 211276902 /nfs/dbraw/zinc/27/69/02/211276902.db2.gz FJWUSMYDQXICMB-LFRPXUGBSA-N 1 0 381.472 4.024 1 0 GIAFRO O=S(=O)(c1ccc2c(c1)O[C@H]1C[NH2+]CC[C@@H]21)c1ccccc1-c1ccccc1 ZINC000073197838 211125501 /nfs/dbraw/zinc/12/55/01/211125501.db2.gz INBPJOAKMDWORO-UNMCSNQZSA-N 1 0 391.492 4.024 1 0 GIAFRO Cc1n[nH]c2ccc(-c3nnc(NC[C@@H]([NH3+])Cc4cccc(Cl)c4)s3)cc12 ZINC000049033594 581091384 /nfs/dbraw/zinc/09/13/84/581091384.db2.gz HHNFRVFYHNQUPY-HNNXBMFYSA-N 1 0 398.923 4.025 1 0 GIAFRO CC(=O)C1=NN(c2cc(F)ccc2F)C[C@]1(CCC[NH+](C)C)c1ccccc1 ZINC000028953459 581095875 /nfs/dbraw/zinc/09/58/75/581095875.db2.gz HBHHQROCMYJFKL-JOCHJYFZSA-N 1 0 385.458 4.010 1 0 GIAFRO CC(C)n1nc(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)c2ccccc21 ZINC000013779607 210090940 /nfs/dbraw/zinc/09/09/40/210090940.db2.gz APRJLRLJBAXHOO-UHFFFAOYSA-N 1 0 390.531 4.054 1 0 GIAFRO CC[N@@H+]1CC[C@]23Cc4[nH]c5ccccc5c4C[C@H]2[C@H]1Cc1ccc(OC)c(O)c13 ZINC000013797328 210091231 /nfs/dbraw/zinc/09/12/31/210091231.db2.gz FMNRIXJRUJNSBN-HCYUJWNOSA-N 1 0 388.511 4.185 1 0 GIAFRO Cc1ccc(C(=O)N2c3ccccc3[C@H]([NH2+]Cc3ccccc3)[C@@H](O)[C@@H]2C)cc1 ZINC000013652389 210076518 /nfs/dbraw/zinc/07/65/18/210076518.db2.gz YVRQVVQGVPOWEI-NWVWQQAFSA-N 1 0 386.495 4.236 1 0 GIAFRO C[NH+]1CCC(c2coc3ccc(NC(=O)c4c(F)cc(F)cc4F)nc32)CC1 ZINC000013588432 210071016 /nfs/dbraw/zinc/07/10/16/210071016.db2.gz GXBIYXIMLSXCCJ-UHFFFAOYSA-N 1 0 389.377 4.307 1 0 GIAFRO O=c1[nH]c(CCC[N@H+]2CC=C(c3ccccc3)CC2)nc2cc(Cl)ccc21 ZINC000013581547 210068330 /nfs/dbraw/zinc/06/83/30/210068330.db2.gz LDRFPEHHPVCPGU-UHFFFAOYSA-N 1 0 379.891 4.298 1 0 GIAFRO Ic1cccc(O[C@@H](c2ccccc2)C2CC[NH2+]CC2)c1 ZINC000013530837 210065484 /nfs/dbraw/zinc/06/54/84/210065484.db2.gz PKHVXHWHEHXEQU-SFHVURJKSA-N 1 0 393.268 4.411 1 0 GIAFRO C[NH+](C)Cc1ccccc1Sc1ccc(I)cc1N ZINC000013472752 210063283 /nfs/dbraw/zinc/06/32/83/210063283.db2.gz KPKLDBBNSFWOFA-UHFFFAOYSA-N 1 0 384.286 4.086 1 0 GIAFRO C[NH2+][C@@H]1CCc2ccc(-c3cc(=O)c4cc(-c5cnco5)c(OC)cc4[nH]3)cc21 ZINC000013487620 210062644 /nfs/dbraw/zinc/06/26/44/210062644.db2.gz RDIPHNSKCWONAH-GOSISDBHSA-N 1 0 387.439 4.478 1 0 GIAFRO O=C1c2ccccc2CCCN1CC[NH+]1CCC(n2ccc3ccccc32)CC1 ZINC000013488311 210062434 /nfs/dbraw/zinc/06/24/34/210062434.db2.gz IVYZQDZPOPPIIJ-UHFFFAOYSA-N 1 0 387.527 4.367 1 0 GIAFRO COc1ccc(-n2[nH]c3c(c2=O)[n+](Cc2ccccc2)cc2ccccc32)cc1 ZINC000013448365 210061989 /nfs/dbraw/zinc/06/19/89/210061989.db2.gz OVCJEGPNQDWGOL-UHFFFAOYSA-O 1 0 382.443 4.229 1 0 GIAFRO Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3cc[nH+]cc3)nc21 ZINC000000601820 209249925 /nfs/dbraw/zinc/24/99/25/209249925.db2.gz YOKSFKATMBKCHB-UHFFFAOYSA-N 1 0 398.253 4.441 1 0 GIAFRO C=C1[NH2+]C(=C)C(C(=O)OCC)C(c2ccc(-n3ccnc3)cc2)C1C(=O)OCC ZINC000100035722 211382684 /nfs/dbraw/zinc/38/26/84/211382684.db2.gz CRNIOQZXORLTLC-QOJBNDRUSA-N 1 0 395.459 4.074 1 0 GIAFRO [NH3+]CC1(CC(=O)Nc2nc3ccc(OC(F)(F)F)cc3s2)CCCCC1 ZINC000084730785 211174695 /nfs/dbraw/zinc/17/46/95/211174695.db2.gz UGCNDQUHXHHYLN-UHFFFAOYSA-N 1 0 387.427 4.433 1 0 GIAFRO C[NH2+]Cc1cc(-c2ccccc2)n(S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC000084709436 211174428 /nfs/dbraw/zinc/17/44/28/211174428.db2.gz IIRINPJFCZIRKA-UHFFFAOYSA-N 1 0 394.418 4.130 1 0 GIAFRO C[NH+](C)[C@@H]1CCN(c2cc(Nc3cc(Cl)ccn3)nc(-c3ccccc3)n2)C1 ZINC000084619252 211170745 /nfs/dbraw/zinc/17/07/45/211170745.db2.gz OEMKIVSYIQBSIJ-QGZVFWFLSA-N 1 0 394.910 4.076 1 0 GIAFRO COc1ccc2cc3[n+](cc2c1NCC(C)C)CCc1cc2c(cc1-3)OCO2 ZINC000073166034 211125577 /nfs/dbraw/zinc/12/55/77/211125577.db2.gz LOFORVTYXWSUNI-UHFFFAOYSA-O 1 0 377.464 4.156 1 0 GIAFRO O=C(N[C@@H](c1ccc(Cl)c(F)c1)C1CC[NH2+]CC1)c1ccc2cnccc2c1 ZINC000072177254 211081621 /nfs/dbraw/zinc/08/16/21/211081621.db2.gz MUHSEKFDAVMYHO-OAQYLSRUSA-N 1 0 397.881 4.498 1 0 GIAFRO C[N@@H+]1CCC[C@@H]1Cn1nc(Cc2ccc(C(C)(C)C)cc2)c2ccccc2c1=O ZINC000071318080 211045748 /nfs/dbraw/zinc/04/57/48/211045748.db2.gz DXZJJDOMGLPHDI-HXUWFJFHSA-N 1 0 389.543 4.379 1 0 GIAFRO O=C1c2ccccc2N(CCCNc2cc[nH+]c3cc(C(F)(F)F)ccc23)C1=O ZINC000064527836 210940212 /nfs/dbraw/zinc/94/02/12/210940212.db2.gz IUZZKMZKLOLVAR-UHFFFAOYSA-N 1 0 399.372 4.285 1 0 GIAFRO CC(=O)c1cccc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccccc3)CC[NH2+]2)c1 ZINC000033987516 210655807 /nfs/dbraw/zinc/65/58/07/210655807.db2.gz CVHOPXZORYBSMH-UNMCSNQZSA-N 1 0 393.531 4.402 1 0 GIAFRO CC(=O)NCC1(c2ccc(Cl)cc2)CC[NH+](Cc2c[nH]c3ccccc23)CC1 ZINC000028878437 210536868 /nfs/dbraw/zinc/53/68/68/210536868.db2.gz CMFMZBLAQQULNF-UHFFFAOYSA-N 1 0 395.934 4.491 1 0 GIAFRO Fc1ccc([C@@H]2[NH2+]CCO[C@@]23COC[C@H](c2ccccc2C(F)(F)F)C3)cc1 ZINC000026501239 210498649 /nfs/dbraw/zinc/49/86/49/210498649.db2.gz HYHOBIXFGWNRJI-XPGWFJOJSA-N 1 0 395.396 4.448 1 0 GIAFRO CCOc1cccc(C2([NH+]3CCN(c4ccccc4N)CC3)[C@@H]3CC(C)C[C@@H]32)c1 ZINC000096272384 136185997 /nfs/dbraw/zinc/18/59/97/136185997.db2.gz QJXIPVWSPUFINC-RZSAXGJXSA-N 1 0 391.559 4.361 1 0 GIAFRO CC[C@@H](Oc1ccccc1)C(=O)N(C[C@H]1CCC[NH2+]1)c1cccc(SC)c1 ZINC000040421886 221923602 /nfs/dbraw/zinc/92/36/02/221923602.db2.gz QHERONJMPQIWPG-DYESRHJHSA-N 1 0 384.545 4.351 1 0 GIAFRO Cc1cccnc1-c1cnc2nc(N3CCC([NH+]4CCCCC4)CC3)oc2c1 ZINC000073296479 222270011 /nfs/dbraw/zinc/27/00/11/222270011.db2.gz VBNSACCZQPDRAM-UHFFFAOYSA-N 1 0 377.492 4.048 1 0 GIAFRO Clc1ccc(C2(c3ccc(-c4ncnc5[nH]cnc54)cc3)CC[NH2+]CC2)cc1 ZINC000014961053 210134091 /nfs/dbraw/zinc/13/40/91/210134091.db2.gz HPWBHQIUIBFTQC-UHFFFAOYSA-N 1 0 389.890 4.343 1 0 in-vivo GIAFRO COc1cccc2c(C(=O)N3C[C@@H](C)[N@@H+](C)[C@@H](C)C3)cn(CC3CCCCC3)c21 ZINC000013975397 210097984 /nfs/dbraw/zinc/09/79/84/210097984.db2.gz DMYGECJTVMCGEP-HDICACEKSA-N 1 0 397.563 4.395 1 0 GIAFRO Clc1ccc(N2CC[NH+](Cc3cnn4ccc5ccccc5c34)CC2)cc1 ZINC000013862505 210096583 /nfs/dbraw/zinc/09/65/83/210096583.db2.gz DUEAFIKCLDPEGV-UHFFFAOYSA-N 1 0 376.891 4.463 1 0 GIAFRO COc1ccc(C[NH2+]C[C@@]2(C)CCc3c(C)c(O)c(C)c(C)c3O2)cc1OC ZINC000013651335 210076051 /nfs/dbraw/zinc/07/60/51/210076051.db2.gz LPZZOYUHFGKRBK-HSZRJFAPSA-N 1 0 385.504 4.208 1 0 GIAFRO CC(C)[NH+](C[C@@H](O)COc1ccccc1[C@@H](O)CCc1ccccc1)C(C)C ZINC000013529055 210065514 /nfs/dbraw/zinc/06/55/14/210065514.db2.gz DNWOJSUBWJDTES-GGAORHGYSA-N 1 0 385.548 4.211 1 0 GIAFRO O=c1c(-c2cc(F)ccc2F)cccn1[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000013436686 210060690 /nfs/dbraw/zinc/06/06/90/210060690.db2.gz XFMLKAFLDRDBOZ-JOCHJYFZSA-N 1 0 380.438 4.479 1 0 GIAFRO C/C(=C/CC[NH+]1CCC2(CC1)C(=O)NCN2c1ccccc1)c1ccc(F)cc1 ZINC000000538370 209250145 /nfs/dbraw/zinc/25/01/45/209250145.db2.gz YBPJJOQQWQASHM-SWNXQHNESA-N 1 0 393.506 4.048 1 0 in-man GIAFRO C[NH+](C)CCCN1c2ccc(F)cc2/C(=C(/c2ccc[nH]2)c2ccccc2)C1=O ZINC000103190292 211421288 /nfs/dbraw/zinc/42/12/88/211421288.db2.gz RJPPDFYTICWOMR-FCQUAONHSA-N 1 0 389.474 4.411 1 0 GIAFRO Cc1ccc(F)cc1C(=O)Nc1ccc(N2C[C@@H]3C[C@@H]4CCC[N@@H+]4[C@@H]3C2)cc1C ZINC000096922472 211350293 /nfs/dbraw/zinc/35/02/93/211350293.db2.gz OZIJFYRIQYIVKS-KPDCDPCYSA-N 1 0 393.506 4.368 1 0 GIAFRO NC(=O)c1ccn2c(c1)nc(-c1ccc(C3([NH3+])CCC3)cc1)c2-c1ccccc1 ZINC000084709011 211174671 /nfs/dbraw/zinc/17/46/71/211174671.db2.gz JBTAEEKPONTXSL-UHFFFAOYSA-N 1 0 382.467 4.105 1 0 GIAFRO CC(=O)NCc1ccc(C(SCC[NH3+])(c2ccccc2)c2ccccc2)cc1 ZINC000084619788 211170555 /nfs/dbraw/zinc/17/05/55/211170555.db2.gz WNPNMZJTXZHSHL-UHFFFAOYSA-N 1 0 390.552 4.307 1 0 GIAFRO COc1ccc(C(SC[C@@H]([NH3+])CO)(c2ccccc2)c2ccccc2)cc1 ZINC000072113400 211069755 /nfs/dbraw/zinc/06/97/55/211069755.db2.gz WKYHDWRETJHQFE-NRFANRHFSA-N 1 0 379.525 4.040 1 0 GIAFRO Oc1cccc(-c2c(-c3ccncc3)nn3c2nccc3C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000045316995 210822007 /nfs/dbraw/zinc/82/20/07/210822007.db2.gz XDBBGTIPWPBPQD-YQQQUEKLSA-N 1 0 397.482 4.162 1 0 GIAFRO CCN(CC)C(=O)c1cc(C2=CC3(CC[NH2+]CC3)Oc3ccccc32)cs1 ZINC000043012106 210804881 /nfs/dbraw/zinc/80/48/81/210804881.db2.gz ZIDVNUPMZWXECL-UHFFFAOYSA-N 1 0 382.529 4.176 1 0 GIAFRO CC(=O)N1N=C(c2cc(F)ccc2F)C[C@@]1(CCC[NH+](C)C)c1ccccc1 ZINC000028827200 210534045 /nfs/dbraw/zinc/53/40/45/210534045.db2.gz SARDOHYMRJFBKL-QFIPXVFZSA-N 1 0 385.458 4.158 1 0 GIAFRO Cc1cc(Br)ccc1C(=O)N(C)[C@H]1CCCC[C@@]12CCC[N@@H+]2C ZINC000028253541 221672988 /nfs/dbraw/zinc/67/29/88/221672988.db2.gz FDLBGWVLLWZVNF-PKOBYXMFSA-N 1 0 379.342 4.237 1 0 GIAFRO CC(C)NC(=[NH2+])c1ccc(-c2cc3cc(C(=[NH2+])NC(C)C)cc([O-])c3o2)cc1 ZINC000040420404 221922961 /nfs/dbraw/zinc/92/29/61/221922961.db2.gz AMHFFXGLHXLFPT-UHFFFAOYSA-N 1 0 378.476 4.452 1 0 GIAFRO NC(=[NH2+])c1ccc2[nH]c(-c3cc(Cl)cc(-c4cccc(N)c4)c3O)nc2c1 ZINC000026379727 581101029 /nfs/dbraw/zinc/10/10/29/581101029.db2.gz WLDWWFXJFODOTC-UHFFFAOYSA-N 1 0 377.835 4.122 1 0 GIAFRO CCN(CC)C(=O)c1ccc(C(c2ccccc2OC)=C2CC[NH2+]CC2)cc1 ZINC000013814356 210092890 /nfs/dbraw/zinc/09/28/90/210092890.db2.gz MVXHVHQGOPGRBP-UHFFFAOYSA-N 1 0 378.516 4.363 1 0 GIAFRO CCN(CC)C(=O)c1ccc(C(c2ccc(OC)cc2)=C2CC[NH2+]CC2)cc1 ZINC000013814353 210091847 /nfs/dbraw/zinc/09/18/47/210091847.db2.gz LOXZGCRYBAKNDQ-UHFFFAOYSA-N 1 0 378.516 4.363 1 0 GIAFRO O=C(Cc1ccc(Cl)c(Cl)c1)N1CCc2occc2[C@@H]1C[NH+]1CCCC1 ZINC000013737719 210085664 /nfs/dbraw/zinc/08/56/64/210085664.db2.gz NZBGPQIBCIBEQA-SFHVURJKSA-N 1 0 393.314 4.351 1 0 GIAFRO C[NH+](C)CCn1ccc2c1cccc2NS(=O)(=O)c1ccc2ccccc2c1 ZINC000013611668 210072937 /nfs/dbraw/zinc/07/29/37/210072937.db2.gz YBKHHHGMJZHICL-UHFFFAOYSA-N 1 0 393.512 4.157 1 0 GIAFRO COc1c(C(=O)N[C@@H]2C[NH+]3CCC2CC3)cc(Cl)cc1C1CCCCC1 ZINC000013451280 210061768 /nfs/dbraw/zinc/06/17/68/210061768.db2.gz QICRBBPRWKJAQA-LJQANCHMSA-N 1 0 376.928 4.220 1 0 GIAFRO C[NH2+]CCCn1c2ccccc2c2c1cc(-c1ccsc1)c1c2C(=O)NC1=O ZINC000001543917 209332189 /nfs/dbraw/zinc/33/21/89/209332189.db2.gz WTOWBVAIDHKDOZ-UHFFFAOYSA-N 1 0 389.480 4.016 1 0 GIAFRO CCCCOc1c(OC)ccc2cc3[n+](cc21)CCc1cc2c(cc1-3)OCO2 ZINC000095595891 211280144 /nfs/dbraw/zinc/28/01/44/211280144.db2.gz FTSHHMRHCYPCEP-UHFFFAOYSA-N 1 0 378.448 4.267 1 0 GIAFRO O=C(N[C@H]1CC[C@H]2C[N@@H+](Cc3cccc(C(F)(F)F)c3)C[C@H]21)C1CCCC1 ZINC000084668441 211172620 /nfs/dbraw/zinc/17/26/20/211172620.db2.gz BHDAQBGVRSBNDU-UHOSZYNNSA-N 1 0 380.454 4.222 1 0 GIAFRO C[C@@H]1CCC[N@@H+]1CCc1ccc(-c2ccc(=O)n(-c3ccc(F)cc3)n2)cc1 ZINC000072316410 211090490 /nfs/dbraw/zinc/09/04/90/211090490.db2.gz KTXVIHVCQVKSMA-QGZVFWFLSA-N 1 0 377.463 4.065 1 0 GIAFRO Cc1cc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)c2ccc(F)cc2[nH+]1 ZINC000072138411 211073814 /nfs/dbraw/zinc/07/38/14/211073814.db2.gz PMGLGZDZXSNWIM-UHFFFAOYSA-N 1 0 383.854 4.298 1 0 GIAFRO CC(C)C[N@H+](C)Cc1ccc(-c2ccccc2S(=O)(=O)N2CCCC2)cc1 ZINC000072114372 211070513 /nfs/dbraw/zinc/07/05/13/211070513.db2.gz HWXVHNVQBIRMDV-UHFFFAOYSA-N 1 0 386.561 4.226 1 0 GIAFRO CC(C)CC[NH+]1CCC(Oc2ccc3[nH]c(=O)c4c(c3c2)CCSC4)CC1 ZINC000049069975 210859607 /nfs/dbraw/zinc/85/96/07/210859607.db2.gz RIOGGQLIXYALOI-UHFFFAOYSA-N 1 0 386.561 4.207 1 0 GIAFRO CC(C)[C@]1(C(=O)N2CCC(c3ccccc3)CC2)CC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000035943113 210700136 /nfs/dbraw/zinc/70/01/36/210700136.db2.gz QPEPWXAREJQKIR-NOZRDPDXSA-N 1 0 398.591 4.356 1 0 GIAFRO C[NH+]1CCN(c2ccc(Nc3ccnc4ccc(Br)cc43)cc2)CC1 ZINC000058638751 136155530 /nfs/dbraw/zinc/15/55/30/136155530.db2.gz CGCYZGLZJSUFMP-UHFFFAOYSA-N 1 0 397.320 4.493 1 0 GIAFRO Clc1cccc(-c2cnc3nc(N4CCC([NH+]5CCCCC5)CC4)oc3c2)n1 ZINC000073294404 222269586 /nfs/dbraw/zinc/26/95/86/222269586.db2.gz SQSFRQJPEYSNDE-UHFFFAOYSA-N 1 0 397.910 4.393 1 0 GIAFRO OCC[NH+]1CCN(Cc2ccccc2Sc2ccc3ccccc3c2)CC1 ZINC000084732488 230955193 /nfs/dbraw/zinc/95/51/93/230955193.db2.gz SMPNFCXJQDIFFK-UHFFFAOYSA-N 1 0 378.541 4.101 1 0 GIAFRO CCCN(CCC)c1cc(C)nc2c(-c3c(C)cc(N(C)C)[nH+]c3C)cnn21 ZINC000013583116 221275589 /nfs/dbraw/zinc/27/55/89/221275589.db2.gz YUSMUHCLTFNPGE-UHFFFAOYSA-N 1 0 380.540 4.409 1 0 GIAFRO CN(C)c1ccc(NC(=O)NCCC[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000013443470 221267599 /nfs/dbraw/zinc/26/75/99/221267599.db2.gz WXIWAAYRLIHEQS-UHFFFAOYSA-N 1 0 394.563 4.219 1 0 GIAFRO N=C1NC(=[NH2+])N[C@@H](c2ccc(Oc3ccccc3)cc2)N1c1ccc(Cl)cc1 ZINC000013559308 221272775 /nfs/dbraw/zinc/27/27/75/221272775.db2.gz SHTBKDRNGQHNDH-LJQANCHMSA-N 1 0 391.862 4.281 1 0 GIAFRO CCN(CC)C(=O)c1ccc([C@@H](c2cccc(OC)c2)C2CC[NH2+]CC2)cc1 ZINC000013803490 221289440 /nfs/dbraw/zinc/28/94/40/221289440.db2.gz WVTALGQYIOJJCG-HSZRJFAPSA-N 1 0 380.532 4.309 1 0 GIAFRO CCC[NH+](CCC)[C@@H]1CCc2ccc3[nH]cc(C(=O)C(=O)N(CC)CC)c3c2C1 ZINC000013741714 221287316 /nfs/dbraw/zinc/28/73/16/221287316.db2.gz REIFSICUZLPXAD-GOSISDBHSA-N 1 0 397.563 4.198 1 0 GIAFRO C[N@H+](C[C@@H]1CCCCN1C(=O)Cc1ccc2c(c1)CCCC2=O)C1CCCC1 ZINC000013738805 221287447 /nfs/dbraw/zinc/28/74/47/221287447.db2.gz JKBDFLKCEUJIHY-NRFANRHFSA-N 1 0 382.548 4.004 1 0 GIAFRO C[C@H]([NH3+])C(=O)N1CCCC[C@@H]1P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000013907517 221292892 /nfs/dbraw/zinc/29/28/92/221292892.db2.gz ZWZNNGSIKNFQSW-LPHOPBHVSA-N 1 0 388.404 4.023 1 0 GIAFRO COc1ccc2cnc(Nc3ccc(N4CC[C@@H]([NH3+])C4)cc3)nc2c1C(C)C ZINC000014945382 221318859 /nfs/dbraw/zinc/31/88/59/221318859.db2.gz AEAUWMPSZUYYHD-MRXNPFEDSA-N 1 0 377.492 4.043 1 0 GIAFRO COc1ccc2cnc(Nc3ccc(N4CC[NH2+]CC4)c(F)c3)nc2c1C(C)C ZINC000014945391 221318941 /nfs/dbraw/zinc/31/89/41/221318941.db2.gz YTAJPEIDLGHFLU-UHFFFAOYSA-N 1 0 395.482 4.054 1 0 GIAFRO COc1ccccc1-c1cn2c(n1)nc(C)c(C[NH3+])c2-c1cccc(Cl)c1 ZINC000035900754 221834746 /nfs/dbraw/zinc/83/47/46/221834746.db2.gz ZMMBJQQNUYVVPU-UHFFFAOYSA-N 1 0 378.863 4.492 1 0 GIAFRO Cc1ccc(C=C2C[N@H+](C)CC3C2=NC(=S)N[C@@H]3c2ccc(C)cc2)cc1 ZINC000049683630 222000363 /nfs/dbraw/zinc/00/03/63/222000363.db2.gz SDOOTLZSUVDCHE-PRWBYUBPSA-N 1 0 375.541 4.105 1 0 GIAFRO Cn1cc(-c2ccc3c(c2)[C@@H]([NH+]2CCN(C)CC2)Cc2ccccc2S3)cn1 ZINC000064540600 222071966 /nfs/dbraw/zinc/07/19/66/222071966.db2.gz MKRIRFBTLSNVCR-NRFANRHFSA-N 1 0 390.556 4.083 1 0 GIAFRO O=C1N(Cc2ccc(Cl)cc2)CCC12CC[NH+](Cc1ccc(F)cc1)CC2 ZINC000064513028 222072182 /nfs/dbraw/zinc/07/21/82/222072182.db2.gz CXTMJQWHPSVYLS-UHFFFAOYSA-N 1 0 386.898 4.494 1 0 GIAFRO [NH3+]CCCCN(Cc1nc2ccccc2[nH]1)[C@H](c1ccccc1)c1ccccn1 ZINC000066076845 222136475 /nfs/dbraw/zinc/13/64/75/222136475.db2.gz XIZQCMFNLKHXPC-XMMPIXPASA-N 1 0 385.515 4.288 1 0 GIAFRO C[NH+]1CCC(n2cc(-c3ccc4c(c3)Cc3c[nH]nc3-4)c(-c3ccncc3)n2)CC1 ZINC000071332543 222181874 /nfs/dbraw/zinc/18/18/74/222181874.db2.gz BXUHJRIRASLBOI-UHFFFAOYSA-N 1 0 396.498 4.173 1 0 GIAFRO Cc1ccccc1C=C1C[N@H+](C)CC2C1=NC(=S)N[C@H]2c1ccccc1C ZINC000071333860 222183472 /nfs/dbraw/zinc/18/34/72/222183472.db2.gz VCKGPSLFLGLOAS-JMOSNPTESA-N 1 0 375.541 4.105 1 0 GIAFRO Cc1ccccc1C=C1C[N@H+](C)CC2C1=NC(=S)N[C@@H]2c1ccccc1C ZINC000071333857 222183677 /nfs/dbraw/zinc/18/36/77/222183677.db2.gz VCKGPSLFLGLOAS-YGYUYSJASA-N 1 0 375.541 4.105 1 0 GIAFRO COc1cc(-c2nc(C[N@@H+]3CC[C@H]4CCCC[C@@H]4C3)co2)cc(OC)c1OC ZINC000072182331 222216251 /nfs/dbraw/zinc/21/62/51/222216251.db2.gz UACPQLTZPMDTMX-HZPDHXFCSA-N 1 0 386.492 4.380 1 0 GIAFRO CCCn1c2nc(C)nc(NCC(C)(C)C[NH+](C)C)c2nc1-c1ccc(F)cc1 ZINC000007991779 221022925 /nfs/dbraw/zinc/02/29/25/221022925.db2.gz KQEKISUVJCPMKH-UHFFFAOYSA-N 1 0 398.530 4.351 1 0 GIAFRO CN(C)c1ccc(-c2cc3ncccc3c(NCc3cccc(C[NH3+])c3)n2)cc1 ZINC000013489192 221270394 /nfs/dbraw/zinc/27/03/94/221270394.db2.gz PNVYQIRWJHGHDD-UHFFFAOYSA-N 1 0 383.499 4.434 1 0 GIAFRO CC(C)[NH+](C[C@@H](O)COc1ccccc1C(=O)CCc1ccccc1)C(C)C ZINC000013528998 221272259 /nfs/dbraw/zinc/27/22/59/221272259.db2.gz YHCMGBVTONMCJM-OAQYLSRUSA-N 1 0 383.532 4.361 1 0 GIAFRO N=C1NC(=[NH2+])N[C@H](c2ccc(Oc3ccccc3)cc2)N1c1cccc(Cl)c1 ZINC000013559311 221272994 /nfs/dbraw/zinc/27/29/94/221272994.db2.gz AEUZJUMNQCESKW-IBGZPJMESA-N 1 0 391.862 4.281 1 0 GIAFRO COc1ccc([C@@H](CC[NH+]2CCCCC2)c2c(O)cc(OC)cc2OC)cc1 ZINC000013661518 221279347 /nfs/dbraw/zinc/27/93/47/221279347.db2.gz GGQWKKHLNJYCQA-HXUWFJFHSA-N 1 0 385.504 4.426 3 0 GIAFRO COc1cc(O)c([C@@H](CC[NH+]2CCCCC2)c2ccc3c(c2)OCO3)c(OC)c1 ZINC000013661545 221279660 /nfs/dbraw/zinc/27/96/60/221279660.db2.gz HSBWMLCASGEDSE-SFHVURJKSA-N 1 0 399.487 4.146 3 0 GIAFRO Oc1ccc2c3c1O[C@H]1Cc4c5ccccc5[nH]c4[C@H]4[C@@H](C2)[N@@H+](CC2CC2)CC[C@]314 ZINC000013737353 221286829 /nfs/dbraw/zinc/28/68/29/221286829.db2.gz HQLZRENSDIGHBJ-YDOBTQPPSA-N 1 0 398.506 4.253 1 0 GIAFRO CCCCCCOc1c(OC)cc(C(=O)OCCCC[NH+](C)C)cc1OC ZINC000013741646 221287476 /nfs/dbraw/zinc/28/74/76/221287476.db2.gz OZBASAFJHGEYEN-UHFFFAOYSA-N 1 0 381.513 4.162 1 0 GIAFRO O=C(Nc1ccc(N2CC[NH2+]CC2)cc1)c1ccc(-c2ccc(Cl)s2)o1 ZINC000084619457 136175056 /nfs/dbraw/zinc/17/50/56/136175056.db2.gz RMSJFISUQPTNAQ-UHFFFAOYSA-N 1 0 387.892 4.323 1 0 GIAFRO O=C1Nc2ccccc2[C@H]1CCCC[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000095541575 136181993 /nfs/dbraw/zinc/18/19/93/136181993.db2.gz JAOXKCOCADFHNG-HXUWFJFHSA-N 1 0 383.923 4.368 1 0 GIAFRO Brc1ccc2ccn(CCN3CC[NH+](C4CCCCC4)CC3)c2c1 ZINC000022939981 221577172 /nfs/dbraw/zinc/57/71/72/221577172.db2.gz CJHRONHFCWOANW-UHFFFAOYSA-N 1 0 390.369 4.354 1 0 GIAFRO O=C(CSc1ccccc1)NCCC[NH+]1CCC2(CCc3ccccc32)CC1 ZINC000028569265 221679472 /nfs/dbraw/zinc/67/94/72/221679472.db2.gz VBYVCECUBYUNQR-UHFFFAOYSA-N 1 0 394.584 4.265 1 0 GIAFRO CC(C)CN1C[C@@H](C[NH2+]CCc2c[nH]c3ccc(F)cc23)Oc2ccccc21 ZINC000028571168 221681177 /nfs/dbraw/zinc/68/11/77/221681177.db2.gz SBHYFFVEUPXWKL-LJQANCHMSA-N 1 0 381.495 4.363 1 0 GIAFRO C[NH2+][C@H]1C[C@H]2c3[nH]c4ccc(-c5cccc(C)c5)cc4c3CCN2C[C@H]1[C@H](C)O ZINC000061924223 222064561 /nfs/dbraw/zinc/06/45/61/222064561.db2.gz MVXUIZXASRSUPU-DFQATESRSA-N 1 0 389.543 4.031 3 0 GIAFRO Cc1ccc([C@H]2C[C@H](n3cc(C4CC4)nn3)[C@@H](O)C[N@@H+]2CC2CCCCC2)cc1 ZINC000061923847 222064649 /nfs/dbraw/zinc/06/46/49/222064649.db2.gz XPINCFKWHIFHMC-SGNDLWITSA-N 1 0 394.563 4.393 3 0 GIAFRO COc1cc(Cl)cc(-c2nnc(N3CCC([NH+]4CCCCC4)CC3)s2)c1 ZINC000066251249 222138648 /nfs/dbraw/zinc/13/86/48/222138648.db2.gz AJIVZQVIMWGUQU-UHFFFAOYSA-N 1 0 392.956 4.322 1 0 GIAFRO O=C1N=C2C(=Cc3ccccc3Cl)C[NH2+]CC2[C@H](c2ccccc2Cl)N1 ZINC000096270603 222407664 /nfs/dbraw/zinc/40/76/64/222407664.db2.gz XMOQGWZLFBHATR-CWIMXHLESA-N 1 0 386.282 4.288 1 0 GIAFRO COc1ccccc1N1CC[NH+](CCCCNc2ccc3ccccc3n2)CC1 ZINC000029135576 581096183 /nfs/dbraw/zinc/09/61/83/581096183.db2.gz SVLOMAHKFFJJIC-UHFFFAOYSA-N 1 0 390.531 4.258 1 0 GIAFRO C[C@@H]1C(=O)c2ccc(O)cc2O[C@@H]1c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000012353836 221183542 /nfs/dbraw/zinc/18/35/42/221183542.db2.gz LSKIAVDUXFFGTG-MWTRTKDXSA-N 1 0 381.472 4.209 1 0 GIAFRO C[C@H]1CCC[C@H](Oc2cccc(-c3nc4cc(F)c(C(N)=[NH2+])cc4[nH]3)c2O)C1 ZINC000013444387 221268421 /nfs/dbraw/zinc/26/84/21/221268421.db2.gz AJFFZXMHLLIFML-RYUDHWBXSA-N 1 0 382.439 4.316 1 0 GIAFRO CC(C)n1cnc2c1nc(NC1CCC([NH3+])CC1)nc2Nc1cccc(Cl)c1 ZINC000013538322 221271918 /nfs/dbraw/zinc/27/19/18/221271918.db2.gz AUZUZIZPNYPPHU-UHFFFAOYSA-N 1 0 399.930 4.486 1 0 GIAFRO COc1cccc2c1CC[C@@H]1[C@@H]2CCC[N@@H+]1C/C=C/I ZINC000013781528 221289746 /nfs/dbraw/zinc/28/97/46/221289746.db2.gz ZLFDVCPLJJNNHI-IZSSFWRRSA-N 1 0 383.273 4.138 1 0 GIAFRO COc1cc2c(cc1OC)C(=O)[C@@H](CC1CC[NH+](CCc3ccccc3)CC1)C2 ZINC000013744639 221286539 /nfs/dbraw/zinc/28/65/39/221286539.db2.gz UANSVLTVARSCFF-NRFANRHFSA-N 1 0 393.527 4.404 1 0 GIAFRO CCC[NH+](CCC)[C@H]1CCc2ccc3[nH]cc(C(=O)C(=O)N(CC)CC)c3c2C1 ZINC000013741715 221287510 /nfs/dbraw/zinc/28/75/10/221287510.db2.gz REIFSICUZLPXAD-SFHVURJKSA-N 1 0 397.563 4.198 1 0 GIAFRO O=C(Nc1ccc(N2CC[NH2+]CC2)cc1)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000073224553 136171430 /nfs/dbraw/zinc/17/14/30/136171430.db2.gz CAIGVNVLJGDZSF-UHFFFAOYSA-N 1 0 381.863 4.262 1 0 GIAFRO O=C(Nc1ccc(N2CC[NH2+]CC2)cc1)c1ccc(-c2cccc(Cl)c2)o1 ZINC000084619537 136174947 /nfs/dbraw/zinc/17/49/47/136174947.db2.gz PPDZWHVZYSPBOB-UHFFFAOYSA-N 1 0 381.863 4.262 1 0 GIAFRO COC(=O)[C@@H]1[C@@H]2CC[C@H](C[C@@H]1c1ccc(Br)cc1)[N@@H+]2C/C=C/CF ZINC000062224495 222065661 /nfs/dbraw/zinc/06/56/61/222065661.db2.gz FXIKVFNIIRHKBX-BYQGVBOCSA-N 1 0 396.300 4.084 1 0 GIAFRO CC[N@H+]1CC(=Cc2ccc(C)cc2)C2=NC(=S)N[C@H](c3ccc(C)cc3)C2C1 ZINC000064448651 222071139 /nfs/dbraw/zinc/07/11/39/222071139.db2.gz SQIIYCCGOMTDRN-WVWKGNOCSA-N 1 0 389.568 4.495 1 0 GIAFRO CCn1c2cc[nH+]cc2c2cc(NS(=O)(=O)c3ccc(OC)cc3)ccc21 ZINC000064559355 222073984 /nfs/dbraw/zinc/07/39/84/222073984.db2.gz ODYNJAIJHKZQNC-UHFFFAOYSA-N 1 0 381.457 4.019 1 0 GIAFRO CCOC(=O)c1c2c(sc1NC(=O)CC[NH+]1CCC(C)CC1)CC[C@H](C)C2 ZINC000066075144 222136659 /nfs/dbraw/zinc/13/66/59/222136659.db2.gz BGIOLBVXZZCDHF-HNNXBMFYSA-N 1 0 392.565 4.110 1 0 GIAFRO [NH3+][C@H](Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000071318620 222180566 /nfs/dbraw/zinc/18/05/66/222180566.db2.gz GAQCDUGVDCYPBQ-LJQANCHMSA-N 1 0 378.859 4.080 1 0 GIAFRO Cn1c2ccc(S(=O)(=O)c3ccc(Cl)cc3)cc2c2c1C[C@@H]1CC[C@H]2[NH2+]1 ZINC000082152427 222309982 /nfs/dbraw/zinc/30/99/82/222309982.db2.gz VOFKAUFBGMAVBB-SUMWQHHRSA-N 1 0 386.904 4.014 1 0 GIAFRO CN(C)C(=O)c1cccc(C(SCC[NH3+])(c2ccccc2)c2ccccc2)c1 ZINC000084616535 222318468 /nfs/dbraw/zinc/31/84/68/222318468.db2.gz DBXKNLONIACQRU-UHFFFAOYSA-N 1 0 390.552 4.372 1 0 GIAFRO CC(=O)NCc1cccc(C(SCC[NH3+])(c2ccccc2)c2ccccc2)c1 ZINC000084633980 222318637 /nfs/dbraw/zinc/31/86/37/222318637.db2.gz KQXAFPLLZDPRMT-UHFFFAOYSA-N 1 0 390.552 4.307 1 0 GIAFRO CC(C)[C@@H](C(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)c1ccccc1 ZINC000084670372 222319529 /nfs/dbraw/zinc/31/95/29/222319529.db2.gz HEVYJRZHYSRHDM-UEQSERJNSA-N 1 0 376.544 4.453 1 0 GIAFRO CC(=O)C1=NN(c2cc(F)ccc2F)C[C@@]1(CCC[NH+](C)C)c1ccccc1 ZINC000028953458 581095858 /nfs/dbraw/zinc/09/58/58/581095858.db2.gz HBHHQROCMYJFKL-QFIPXVFZSA-N 1 0 385.458 4.010 1 0 GIAFRO Cc1nc2c(nc(-c3ccccc3)n2CC[NH+](C)C)c(NC2CCCCC2)n1 ZINC000007991812 221022200 /nfs/dbraw/zinc/02/22/00/221022200.db2.gz WMPIAXAWMFVOCI-UHFFFAOYSA-N 1 0 378.524 4.108 1 0 GIAFRO CCOC(=O)C[C@H]1Cc2ccccc2C2(CC[NH+](Cc3ccccc3)CC2)O1 ZINC000013491896 221270082 /nfs/dbraw/zinc/27/00/82/221270082.db2.gz BFYFCBBJFMGJDA-OAQYLSRUSA-N 1 0 379.500 4.072 1 0 GIAFRO Clc1ncc(OC[C@@H]2CCC[NH2+]2)cc1/C=C/c1ccnc(Br)c1 ZINC000013560815 221273172 /nfs/dbraw/zinc/27/31/72/221273172.db2.gz XEVRRKNLTNXKTK-XGACYXMMSA-N 1 0 394.700 4.194 1 0 GIAFRO COc1cc(O)c([C@@H](CC[NH+]2CCCCC2)c2ccc(N(C)C)cc2)c(OC)c1 ZINC000013661551 221279656 /nfs/dbraw/zinc/27/96/56/221279656.db2.gz DWSRMWUPMULWMS-NRFANRHFSA-N 1 0 398.547 4.483 3 0 GIAFRO Oc1ccc(C[NH+]2CCN(c3nc(-c4ccccc4)nc4ccccc43)CC2)cc1 ZINC000095596874 136182526 /nfs/dbraw/zinc/18/25/26/136182526.db2.gz DSYKHIALGWNWSP-UHFFFAOYSA-N 1 0 396.494 4.325 1 0 GIAFRO FC(F)(F)c1ccc2c(n1)c(-c1ccsc1)cnc2N1CCC[NH2+]CC1 ZINC000024904215 221620301 /nfs/dbraw/zinc/62/03/01/221620301.db2.gz PYELNGXKMXIKQP-UHFFFAOYSA-N 1 0 378.423 4.177 1 0 GIAFRO COc1ccc([C@@H]2CC3([NH+](C)C)C[C@@H](O)C2[C@@H](c2ccc(OC)cc2)C3)cc1 ZINC000040812438 221932093 /nfs/dbraw/zinc/93/20/93/221932093.db2.gz ZKWMIFWZIBHEBK-PAZWHPHWSA-N 1 0 381.516 4.046 1 0 GIAFRO CCCc1c2ccc(OC)c(OC)c2c[n+]2c1-c1cc3c(cc1CC2)OCO3 ZINC000040864972 221932762 /nfs/dbraw/zinc/93/27/62/221932762.db2.gz YRDIGQKWUDDJIH-UHFFFAOYSA-N 1 0 378.448 4.049 1 0 GIAFRO CC(C)CC[NH2+][C@H]1C[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]32)C[C@@H]1O ZINC000040956039 221935839 /nfs/dbraw/zinc/93/58/39/221935839.db2.gz ZHFUUZIBVUPXHJ-WIKDVRPQSA-N 1 0 377.613 4.365 1 0 GIAFRO CN(CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C(=O)CCC[NH3+] ZINC000045498769 221965280 /nfs/dbraw/zinc/96/52/80/221965280.db2.gz LTAYAFLYWNDJLO-IBGZPJMESA-N 1 0 394.437 4.413 1 0 GIAFRO CC[NH2+]Cc1cncc(-c2cnc3c(c2)[C@@H](c2nc4cc(F)ccc4[nH]2)N=N3)c1 ZINC000049567215 222000405 /nfs/dbraw/zinc/00/04/05/222000405.db2.gz KRKHEOQTCZTRNA-IBGZPJMESA-N 1 0 387.422 4.455 1 0 GIAFRO CC(C)(C)[C@H](CO)[NH2+]Cc1coc2cccc(OCC3CCCCC3)c2c1=O ZINC000053314092 222009475 /nfs/dbraw/zinc/00/94/75/222009475.db2.gz OEQMESOVIVPDBC-FQEVSTJZSA-N 1 0 387.520 4.249 1 0 GIAFRO Cc1cc(/C=C2\C(=O)Nc3ncccc32)c2ccccc(OCCC[NH+](C)C)c1-2 ZINC000064539240 222072333 /nfs/dbraw/zinc/07/23/33/222072333.db2.gz BOGKUOUVWUICFV-HKWRFOASSA-N 1 0 387.483 4.318 1 0 GIAFRO Fc1cnc(N2CCC([NH2+][C@@H](c3ccc(Cl)cc3)c3cccnc3)CC2)nc1 ZINC000072103018 222206168 /nfs/dbraw/zinc/20/61/68/222206168.db2.gz WSRCMDLYWFLWNE-FQEVSTJZSA-N 1 0 397.885 4.012 1 0 GIAFRO CC(C)N(C)S(=O)(=O)c1ccccc1-c1ccc(C[NH2+]C2CCCC2)cc1 ZINC000072115044 222207639 /nfs/dbraw/zinc/20/76/39/222207639.db2.gz JONWOTUZASTVKJ-UHFFFAOYSA-N 1 0 386.561 4.415 1 0 GIAFRO Cc1nc(C)c(-c2ccc3cc(CC[N@H+]4CCC[C@@H]4C)ccc3n2)cc1C(N)=O ZINC000072177171 222216450 /nfs/dbraw/zinc/21/64/50/222216450.db2.gz CPBHHACTFPYERR-HNNXBMFYSA-N 1 0 388.515 4.039 1 0 GIAFRO Cc1cccc(-c2cnc3nc(N4CCC([NH+]5CCCCC5)CC4)oc3c2)n1 ZINC000073296477 222269888 /nfs/dbraw/zinc/26/98/88/222269888.db2.gz DDROFLAZEAEXMN-UHFFFAOYSA-N 1 0 377.492 4.048 1 0 GIAFRO O=C(CCCC[NH+]1CCCCC1)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000084740163 222322130 /nfs/dbraw/zinc/32/21/30/222322130.db2.gz JWKYJUPITPBTSR-UHFFFAOYSA-N 1 0 378.929 4.453 1 0 GIAFRO COc1ccccc1N1CC[NH+]([C@H](c2ccccc2)[C@@H](O)c2ccccc2)CC1 ZINC000169334370 537069813 /nfs/dbraw/zinc/06/98/13/537069813.db2.gz RYBKCSDAQTWVRQ-RPBOFIJWSA-N 1 0 388.511 4.292 1 0 GIAFRO CC1(C)[C@@H]2CC[C@]13CC[N@H+](CCN1CCN(c4cccc(Cl)c4)C1=O)[C@@H]3C2 ZINC000043074896 581092162 /nfs/dbraw/zinc/09/21/62/581092162.db2.gz BLMDJHOZZKURJN-ZWDAVXSWSA-N 1 0 387.955 4.483 1 0 GIAFRO O=C1Cc2c(ccc3c(CCC4CC[NH+](Cc5ccccc5)CC4)noc32)N1 ZINC000000580309 212164915 /nfs/dbraw/zinc/16/49/15/212164915.db2.gz OICRNZHKHYSUOP-UHFFFAOYSA-N 1 0 375.472 4.167 1 0 GIAFRO CCCCN(CCCC)C(=O)c1c(C)c(N2CC[NH+](C)CC2)nc2ccccc21 ZINC000013644280 221278146 /nfs/dbraw/zinc/27/81/46/221278146.db2.gz VYZHAKMQCIOUER-UHFFFAOYSA-N 1 0 396.579 4.337 1 0 GIAFRO O=c1ccc(-c2ccc3c(c2)ncn3-c2ccccc2)cn1CC[NH+]1CCCCC1 ZINC000013536082 221271616 /nfs/dbraw/zinc/27/16/16/221271616.db2.gz STVCOQYKEITJLP-UHFFFAOYSA-N 1 0 398.510 4.340 1 0 GIAFRO Ic1ccc(O[C@H](c2ccccc2)C2CC[NH2+]CC2)cc1 ZINC000013530872 221271722 /nfs/dbraw/zinc/27/17/22/221271722.db2.gz SYSNRBOWLLUVAY-GOSISDBHSA-N 1 0 393.268 4.411 1 0 GIAFRO N=C1NC(=[NH2+])N[C@H](c2cccc(Oc3ccccc3)c2)N1c1cccc(Cl)c1 ZINC000013559315 221273557 /nfs/dbraw/zinc/27/35/57/221273557.db2.gz HEARZUMQNUJZRL-IBGZPJMESA-N 1 0 391.862 4.281 1 0 GIAFRO CCc1cccc(N(C)C(=[NH2+])Nc2ccccc2I)c1 ZINC000013776045 221287920 /nfs/dbraw/zinc/28/79/20/221287920.db2.gz FPFYWKBRPHDBRR-UHFFFAOYSA-N 1 0 379.245 4.337 1 0 GIAFRO CCCC[C@@H]1C[NH+]=C(N)N1CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000013662130 221279777 /nfs/dbraw/zinc/27/97/77/221279777.db2.gz OJDAJFVUJSNUHG-CQSZACIVSA-N 1 0 381.364 4.456 3 0 GIAFRO c1ccc2c(c1)CCCC[C@@H]2CC[NH+]1CCN(c2cccc3c2OCCO3)CC1 ZINC000013743673 221286809 /nfs/dbraw/zinc/28/68/09/221286809.db2.gz GMDUZTVEAQHOPH-OAQYLSRUSA-N 1 0 392.543 4.480 1 0 GIAFRO Cc1ccc(C(=O)N2c3ccccc3[C@H]([NH2+]Cc3ccccc3)[C@@H](O)[C@H]2C)cc1 ZINC000096941843 136188023 /nfs/dbraw/zinc/18/80/23/136188023.db2.gz YVRQVVQGVPOWEI-DKLXNKCPSA-N 1 0 386.495 4.236 1 0 GIAFRO Cc1nc2ccccc2c(=O)n1-c1ccc(O[C@H]2CC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000045484532 221962537 /nfs/dbraw/zinc/96/25/37/221962537.db2.gz RWNXKETUEWVUIP-FPOVZHCZSA-N 1 0 389.499 4.090 1 0 GIAFRO C[C@@H]1CCC[N@@H+]1[C@@H]1CCN(c2ccc(NC(=O)C3CC3)c(C(F)(F)F)c2)C1 ZINC000059261980 222055780 /nfs/dbraw/zinc/05/57/80/222055780.db2.gz QUVLTPSEQSBWKS-CZUORRHYSA-N 1 0 381.442 4.117 1 0 GIAFRO COc1ccc([C@@H]([NH3+])c2csc(Nc3ccc(C(F)(F)F)cn3)n2)cc1 ZINC000061905435 222063132 /nfs/dbraw/zinc/06/31/32/222063132.db2.gz YLPZZILEOZCWSD-OAHLLOKOSA-N 1 0 380.395 4.357 3 0 GIAFRO Cn1ccc(-c2ccc3c(c2)[C@@H]([NH+]2CCN(C)CC2)Cc2ccccc2S3)n1 ZINC000064548986 222074124 /nfs/dbraw/zinc/07/41/24/222074124.db2.gz WASDQAJQWQDOQW-NRFANRHFSA-N 1 0 390.556 4.083 1 0 GIAFRO c1cc2cnccc2c(-c2nnc(N3CCC([NH+]4CCCCC4)CC3)s2)c1 ZINC000084670288 222320246 /nfs/dbraw/zinc/32/02/46/222320246.db2.gz ZQKNCXGFXAJLKM-UHFFFAOYSA-N 1 0 379.533 4.208 1 0 GIAFRO Cc1cc2c(c(=O)o1)C=C1CC[C@H]([C@H](C)C[NH2+]Cc3ccc(C=O)cc3)C[C@@H]1O2 ZINC000095553386 222354314 /nfs/dbraw/zinc/35/43/14/222354314.db2.gz ZGUNEAKYTZXYFR-MPHOGZCYSA-N 1 0 393.483 4.131 1 0 GIAFRO COc1ccc2cc3[n+](cc2c1OCC=C(C)C)CCc1cc2c(cc1-3)OCO2 ZINC000095593690 222357835 /nfs/dbraw/zinc/35/78/35/222357835.db2.gz JEGPVVBWEXZSAE-UHFFFAOYSA-N 1 0 390.459 4.433 1 0 GIAFRO COc1ccccc1N1CC[NH+]([C@H](c2ccccc2)[C@H](O)c2ccccc2)CC1 ZINC000169334378 537070435 /nfs/dbraw/zinc/07/04/35/537070435.db2.gz RYBKCSDAQTWVRQ-JWQCQUIFSA-N 1 0 388.511 4.292 1 0 GIAFRO C[C@@]12C[C@@H](CC(C)(C)C1)[N@H+](CCN1CCN(c3cccc(Cl)c3)C1=O)C2 ZINC000043021135 581092185 /nfs/dbraw/zinc/09/21/85/581092185.db2.gz OLKRKRWLKISLQU-WIYYLYMNSA-N 1 0 375.944 4.483 1 0 GIAFRO C[C@H]1CCCC[C@@H]1Oc1cccc(-c2nc3cc(F)c(C(N)=[NH2+])cc3[nH]2)c1O ZINC000005890661 581093990 /nfs/dbraw/zinc/09/39/90/581093990.db2.gz CMCDWLMEDRBWIR-GTNSWQLSSA-N 1 0 382.439 4.316 1 0 in-vivo GIAFRO OCC1(Cc2cccc(F)c2)CC[NH+](Cc2ccc3cccc(F)c3n2)CC1 ZINC000012193083 221165708 /nfs/dbraw/zinc/16/57/08/221165708.db2.gz FRDXRGJQBAOXSQ-UHFFFAOYSA-N 1 0 382.454 4.330 3 0 GIAFRO CC(C)[N@H+](C)Cc1c(C(=O)N2CCc3ccccc3C2)nc2ccc(Cl)cn21 ZINC000013636830 221278720 /nfs/dbraw/zinc/27/87/20/221278720.db2.gz BOIGZDBTJZUZMU-UHFFFAOYSA-N 1 0 396.922 4.026 3 0 GIAFRO O=c1nc2c(c3[nH]c(-c4cccc(Cl)c4)cn31)C[N@H+](Cc1ccccc1)CC2 ZINC000013492015 221270773 /nfs/dbraw/zinc/27/07/73/221270773.db2.gz OXVOSBJLVAHMNE-UHFFFAOYSA-N 1 0 390.874 4.314 1 0 GIAFRO N=C1NC(=[NH2+])N[C@@H](c2cccc(Oc3ccccc3)c2)N1c1cccc(Cl)c1 ZINC000013559314 221272605 /nfs/dbraw/zinc/27/26/05/221272605.db2.gz HEARZUMQNUJZRL-LJQANCHMSA-N 1 0 391.862 4.281 1 0 GIAFRO CCN(CC)C(=O)c1ccc([C@H](c2cccc(OC)c2)C2CC[NH2+]CC2)cc1 ZINC000013803488 221289113 /nfs/dbraw/zinc/28/91/13/221289113.db2.gz WVTALGQYIOJJCG-QHCPKHFHSA-N 1 0 380.532 4.309 1 0 GIAFRO COc1cc(O)c([C@H](CC[NH+]2CCCC2)c2ccc(N(C)C)cc2)c(OC)c1 ZINC000013661652 221279477 /nfs/dbraw/zinc/27/94/77/221279477.db2.gz CBKINESZAJBQJQ-HXUWFJFHSA-N 1 0 384.520 4.093 3 0 GIAFRO c1ccc2c(c1)CCC[C@@H]2CC[NH+]1CCN(c2cccc3c2OCCO3)CC1 ZINC000013743672 221287461 /nfs/dbraw/zinc/28/74/61/221287461.db2.gz ZAXUTUNLFKXRSQ-HXUWFJFHSA-N 1 0 378.516 4.090 1 0 GIAFRO CCN(CC)C(=O)c1ccc(C2=CC3(CC[NH2+]CC3)Oc3ccccc32)cc1 ZINC000013981423 221294705 /nfs/dbraw/zinc/29/47/05/221294705.db2.gz WZZXJQIDLWOBDU-UHFFFAOYSA-N 1 0 376.500 4.115 1 0 GIAFRO COc1cccc(-c2nc(N)c(C[NH3+])c(-c3ccc(Cl)cc3Cl)n2)c1 ZINC000014948350 221318681 /nfs/dbraw/zinc/31/86/81/221318681.db2.gz UAOJUAJKBKUTQI-UHFFFAOYSA-N 1 0 375.259 4.167 1 0 GIAFRO COc1ccc(-c2nc(N)c(C[NH3+])c(-c3ccc(Cl)cc3Cl)n2)cc1 ZINC000014948353 221318879 /nfs/dbraw/zinc/31/88/79/221318879.db2.gz VGVRISWNDRORTB-UHFFFAOYSA-N 1 0 375.259 4.167 1 0 GIAFRO Nc1nc(-c2ccc(F)c(F)c2)nc(-c2ccc(Cl)cc2Cl)c1C[NH3+] ZINC000014948367 221319480 /nfs/dbraw/zinc/31/94/80/221319480.db2.gz RSTRFELFAGTRRB-UHFFFAOYSA-N 1 0 381.213 4.437 1 0 GIAFRO COc1ccc(C[C@H]([NH3+])c2csc(NC(=O)Nc3ccc(F)cc3)n2)cc1 ZINC000061905661 222062472 /nfs/dbraw/zinc/06/24/72/222062472.db2.gz XZNKERNEDMSVIC-INIZCTEOSA-N 1 0 386.452 4.177 3 0 GIAFRO CCCNC(=O)[C@]1(C)CC[N@H+](Cc2ccc3ccccc3c2Br)C1 ZINC000061906407 222063165 /nfs/dbraw/zinc/06/31/65/222063165.db2.gz DQEFDKRUUUSBDX-HXUWFJFHSA-N 1 0 389.337 4.341 3 0 GIAFRO CCNC(=O)[C@]1(C)CCC[N@H+](Cc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000061927009 222064686 /nfs/dbraw/zinc/06/46/86/222064686.db2.gz OKIDEFYTMZZKGO-LJQANCHMSA-N 1 0 377.941 4.202 3 0 GIAFRO COC(=O)C1=CCC[N@@H+]([C@@H]2CC[C@@]3(C2)Cc2ccccc2Cc2ccccc23)C1 ZINC000064454117 222070208 /nfs/dbraw/zinc/07/02/08/222070208.db2.gz FAXDKDSDNWXAIS-BVAGGSTKSA-N 1 0 387.523 4.429 1 0 GIAFRO COc1ccc2c(c1OC)[C@]13CC[N@H+](C)[C@H](C2)[C@@H]1Cc1c([nH]c2ccccc21)C3 ZINC000064491954 222072589 /nfs/dbraw/zinc/07/25/89/222072589.db2.gz STFJONZLAZXMSA-HCYUJWNOSA-N 1 0 388.511 4.098 1 0 GIAFRO O=C(N[C@H](c1ccc(Cl)c(Cl)c1)C1C[NH2+]C1)c1ccc2cnccc2c1 ZINC000072179488 222216047 /nfs/dbraw/zinc/21/60/47/222216047.db2.gz TWAIYMKBHKNSRO-LJQANCHMSA-N 1 0 386.282 4.232 1 0 GIAFRO Cc1cc2c(c(=O)o1)C=C1CC[C@H]([C@H](C)C[NH2+]Cc3ccc(O)cc3)C[C@@H]1O2 ZINC000095553452 222354332 /nfs/dbraw/zinc/35/43/32/222354332.db2.gz FJWUSMYDQXICMB-FNXXIHLHSA-N 1 0 381.472 4.024 1 0 GIAFRO C[C@H]([C@@H](c1ccc(Nc2nc3ccccc3s2)cc1)n1cncn1)[NH+](C)C ZINC000095563064 222356665 /nfs/dbraw/zinc/35/66/65/222356665.db2.gz PJNAJZSNGGHTRM-KUHUBIRLSA-N 1 0 378.505 4.171 1 0 GIAFRO Cc1ccc(-c2nc3cc4c5c(cccc5C(=O)N(CC[NH+](C)C)C4=O)c3o2)cc1 ZINC000095590037 222357956 /nfs/dbraw/zinc/35/79/56/222357956.db2.gz KLAUQHLHRHOMLI-UHFFFAOYSA-N 1 0 399.450 4.114 1 0 GIAFRO O=C(NC1CCC1)C1CC[NH+]([C@@H](c2ccccc2)c2cc(F)cc(F)c2)CC1 ZINC000096901806 222429305 /nfs/dbraw/zinc/42/93/05/222429305.db2.gz MTKJEGCDFABAFP-QFIPXVFZSA-N 1 0 384.470 4.435 1 0 GIAFRO CC(C)C1=NCCc2ccc(NC(=O)c3ccc4cc(C(N)=[NH2+])ccc4c3)cc21 ZINC000005962501 581093962 /nfs/dbraw/zinc/09/39/62/581093962.db2.gz XRHANBWAKSYPEN-UHFFFAOYSA-N 1 0 384.483 4.377 1 0 in-vivo GIAFRO CSc1sc(C(N)=[NH2+])cc1-c1nc(-c2ccc3c(c2)OCO3)cs1 ZINC000028772049 581096722 /nfs/dbraw/zinc/09/67/22/581096722.db2.gz ONJMNFUCIIFBMG-UHFFFAOYSA-N 1 0 375.500 4.273 1 0 GIAFRO Cc1cc(C(=O)Nc2ccc(-c3ccccc3)cc2)n(-c2cccc(C(N)=[NH2+])c2)n1 ZINC000012355119 221183523 /nfs/dbraw/zinc/18/35/23/221183523.db2.gz YCAWZJDLZVOETK-UHFFFAOYSA-N 1 0 395.466 4.384 1 0 GIAFRO CCC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(/C=C/I)cc1)[NH2+]2 ZINC000013439771 221268033 /nfs/dbraw/zinc/26/80/33/221268033.db2.gz ZSIIPJGEQMLBAQ-RUJCAILXSA-N 1 0 395.284 4.296 1 0 GIAFRO O=C(NCC[C@H]1C[NH+]=C(c2ccccc2)c2ccccc2N1)c1ccccc1F ZINC000013525944 221271176 /nfs/dbraw/zinc/27/11/76/221271176.db2.gz BPDSAOLEAPWKQE-SFHVURJKSA-N 1 0 387.458 4.277 1 0 GIAFRO C[C@@H](c1ccc(-c2ccccc2C(F)(F)F)cc1)[C@H]([NH3+])C(=O)N1CC[C@H](F)C1 ZINC000014948189 221319495 /nfs/dbraw/zinc/31/94/95/221319495.db2.gz MPKSBNSYHKMKRP-AXHNFQJDSA-N 1 0 394.412 4.374 1 0 GIAFRO C[C@@H](c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@H]([NH3+])C(=O)N1CC[C@H](F)C1 ZINC000014948212 221319582 /nfs/dbraw/zinc/31/95/82/221319582.db2.gz GLXIREWNAUAUFX-AGRHKRQWSA-N 1 0 394.412 4.374 1 0 GIAFRO [NH3+][C@H]1CN(c2nccc(-c3ccsc3)n2)C[C@@H]1c1ccc(Cl)cc1Cl ZINC000014958710 221320451 /nfs/dbraw/zinc/32/04/51/221320451.db2.gz ISIAZPQCRKPGLU-ZBFHGGJFSA-N 1 0 391.327 4.443 1 0 GIAFRO C=C1[NH2+]C(=C)C(C(=O)OCC)C(/C=C/c2ccccc2OC)C1C(=O)OCC ZINC000017529806 221383974 /nfs/dbraw/zinc/38/39/74/221383974.db2.gz YSSLOFDFZBTULG-BEBNQHKBSA-N 1 0 385.460 4.442 1 0 GIAFRO O=C(Nc1ccc(N2CC[NH2+]CC2)cc1)c1ccc(-c2ccccc2Cl)o1 ZINC000084587306 136175063 /nfs/dbraw/zinc/17/50/63/136175063.db2.gz OAWGNEGVOIDOJR-UHFFFAOYSA-N 1 0 381.863 4.262 1 0 GIAFRO O=C1NCN(c2ccccc2)C12CC[NH+]([C@H]1CCCC[C@@H]1c1ccccc1)CC2 ZINC000034826302 221806980 /nfs/dbraw/zinc/80/69/80/221806980.db2.gz XMWPUEPUQVYCIC-PKTZIBPZSA-N 1 0 389.543 4.141 1 0 GIAFRO COc1ccc(Br)cc1CCc1c(Cl)cccc1C1=[NH+]CCN1 ZINC000036126646 221844974 /nfs/dbraw/zinc/84/49/74/221844974.db2.gz UPKKORHDOYVZHW-UHFFFAOYSA-N 1 0 393.712 4.246 1 0 GIAFRO CC(=O)N[C@@H](C[C@@H](C)[NH+]1CCC(n2c(C)nnc2C(C)C)CC1)c1ccccc1 ZINC000040897997 221933006 /nfs/dbraw/zinc/93/30/06/221933006.db2.gz YNOPQUVBQVNCRE-VGSWGCGISA-N 1 0 397.567 4.003 1 0 GIAFRO C[C@@H]1CCC[N@@H+]1[C@@H]1CCN(c2ccc(NC(=O)NCc3cccs3)cc2)C1 ZINC000043204917 221949024 /nfs/dbraw/zinc/94/90/24/221949024.db2.gz MWATVQYCLGPJBC-VQIMIIECSA-N 1 0 384.549 4.133 1 0 GIAFRO CO[C@@H]1Cc2c(cnn2-c2ccccc2)C2(CC[NH+](CC3CCCCC3)CC2)O1 ZINC000072116461 222206766 /nfs/dbraw/zinc/20/67/66/222206766.db2.gz VXFHKYALKRURJZ-QHCPKHFHSA-N 1 0 395.547 4.289 1 0 GIAFRO O=C(N[C@H](c1ccc(Cl)cc1)C1CC[NH2+]CC1)c1ccc2cnccc2c1 ZINC000072180023 222217067 /nfs/dbraw/zinc/21/70/67/222217067.db2.gz JKMRXGNFZRTSJG-OAQYLSRUSA-N 1 0 379.891 4.359 1 0 GIAFRO CCCNS(=O)(=O)c1ccc(-c2ccc(CC[N@@H+]3CCC[C@H]3C)cc2)cc1 ZINC000072180475 222217201 /nfs/dbraw/zinc/21/72/01/222217201.db2.gz NYNGLJDGJBCTFR-GOSISDBHSA-N 1 0 386.561 4.069 1 0 GIAFRO O=C(N[C@H](c1ccc(Cl)c(F)c1)C1CC[NH2+]CC1)c1ccc2cnccc2c1 ZINC000072177255 222217463 /nfs/dbraw/zinc/21/74/63/222217463.db2.gz MUHSEKFDAVMYHO-NRFANRHFSA-N 1 0 397.881 4.498 1 0 GIAFRO COc1ccc(C[NH2+]C[C@@H](C)[C@H]2CCC3=Cc4c(cc(C)oc4=O)O[C@H]3C2)cc1 ZINC000095554112 222355473 /nfs/dbraw/zinc/35/54/73/222355473.db2.gz ZWILVXIZHVDAFA-QRFQSNJMSA-N 1 0 395.499 4.327 1 0 GIAFRO Cc1cc(N2CC[C@@H]([N@H+]3CCC[C@@H]3C)C2)ccc1NC(=O)c1ccccc1F ZINC000096271313 222407726 /nfs/dbraw/zinc/40/77/26/222407726.db2.gz PWLRRJAFPMHNQH-PKOBYXMFSA-N 1 0 381.495 4.449 1 0 GIAFRO COc1ccc(Br)cc1CSc1ccccc1C1=[NH+]CCCN1 ZINC000000590622 212164042 /nfs/dbraw/zinc/16/40/42/212164042.db2.gz QMSDCVRXVFCLRL-UHFFFAOYSA-N 1 0 391.334 4.490 1 0 GIAFRO O=c1c(-c2cc(F)ccc2F)cccn1[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000013436682 221268266 /nfs/dbraw/zinc/26/82/66/221268266.db2.gz XFMLKAFLDRDBOZ-QFIPXVFZSA-N 1 0 380.438 4.479 1 0 GIAFRO COc1ccc(-c2cc3nc(C(F)(F)F)ccc3c(NCCC[NH3+])n2)cc1 ZINC000013489151 221270145 /nfs/dbraw/zinc/27/01/45/221270145.db2.gz KOFODTPSIXYGCY-UHFFFAOYSA-N 1 0 376.382 4.085 1 0 GIAFRO O=C1c2ccccc2CCCN1CC[NH+]1CCC(Oc2ccc(Cl)cc2)CC1 ZINC000013488306 221270737 /nfs/dbraw/zinc/27/07/37/221270737.db2.gz ZEPGFLMTNATXHY-UHFFFAOYSA-N 1 0 398.934 4.272 1 0 GIAFRO COc1cccc2c1CCC[C@H]2C[N@H+](C)CCc1ccc2nc(N)sc2c1 ZINC000013761444 221287913 /nfs/dbraw/zinc/28/79/13/221287913.db2.gz YOETVRIXTIQSDF-INIZCTEOSA-N 1 0 381.545 4.482 1 0 GIAFRO COC(=O)C[C@H]1[C@H]2C[C@@H](Cc3ccccc3)[C@@H](C[C@@H]1Cc1ccccc1)[N@@H+]2C ZINC000013776443 221288156 /nfs/dbraw/zinc/28/81/56/221288156.db2.gz XXQUTIIQIQULCG-ODTAKUCXSA-N 1 0 377.528 4.360 1 0 GIAFRO COc1ccc([C@@H]2C=CC[N@H+](CC(C)C)CC(=O)N2Cc2cccc(F)c2)cc1 ZINC000018069049 221387132 /nfs/dbraw/zinc/38/71/32/221387132.db2.gz IRRUMAHLWIUQQB-QHCPKHFHSA-N 1 0 396.506 4.432 3 0 GIAFRO Cc1nc2ccccc2c(=O)n1-c1ccc(OCCC[NH+]2[C@H](C)CC[C@H]2C)cc1 ZINC000035907418 221835547 /nfs/dbraw/zinc/83/55/47/221835547.db2.gz SJGNWKLQQZVTKR-QZTJIDSGSA-N 1 0 391.515 4.336 1 0 GIAFRO NC[C@H](Cc1ccccc1)[NH2+]CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000061948888 222064509 /nfs/dbraw/zinc/06/45/09/222064509.db2.gz LXMZGCTUXUTLEC-KRWDZBQOSA-N 1 0 390.371 4.426 3 0 GIAFRO COC(=O)C1=CCC[N@@H+]([C@H]2CC[C@@]3(C2)Cc2ccccc2Cc2ccccc23)C1 ZINC000064454118 222070742 /nfs/dbraw/zinc/07/07/42/222070742.db2.gz FAXDKDSDNWXAIS-OZXSUGGESA-N 1 0 387.523 4.429 1 0 GIAFRO C[NH+](C)CC(C)(C)Oc1ccc(-n2ccc(OCc3ccccc3)cc2=O)cc1 ZINC000066260200 222139073 /nfs/dbraw/zinc/13/90/73/222139073.db2.gz ZPONMQAJTFIAHB-UHFFFAOYSA-N 1 0 392.499 4.136 1 0 GIAFRO CS(=O)(=O)c1cccc(C(SCC[NH3+])(c2ccccc2)c2ccccc2)c1 ZINC000084619780 222318038 /nfs/dbraw/zinc/31/80/38/222318038.db2.gz PURIDABLPFRTDZ-UHFFFAOYSA-N 1 0 397.565 4.074 1 0 GIAFRO Cc1nc2cc(-c3nnc(N4CCC([NH+]5CCCCC5)CC4)s3)ccc2o1 ZINC000084671240 222319423 /nfs/dbraw/zinc/31/94/23/222319423.db2.gz UWKLENCDKKIQFX-UHFFFAOYSA-N 1 0 383.521 4.109 1 0 GIAFRO