smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c(Cl)cccc1NC(=O)CSc1n(-c2ccccc2)c(=O)c2ccccc2[n+]1CC(=O)Nc1cccc(Cl)c1C ZINC000097971293 1069691840 /nfs/dbraw/zinc/69/18/40/1069691840.db2.gz IROOKFYBSVJJSF-UHFFFAOYSA-O 1 0 618.566 6.571 40 0 KKABRO Cc1cccc(C[NH+]2CCC(C(=O)Nc3ccc(S(=O)(=O)Nc4cccc(Cl)c4Cl)cc3)CC2)c1 ZINC000408710429 1069735098 /nfs/dbraw/zinc/73/50/98/1069735098.db2.gz ZREXNYLMRJOWMU-UHFFFAOYSA-N 1 0 532.493 5.953 40 0 KKABRO Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)c2ccc(C[NH+]3CCN(c4ccccc4)CC3)cc2)cc1 ZINC000408922050 1070229551 /nfs/dbraw/zinc/22/95/51/1070229551.db2.gz DRSHQTAODNQMTF-UHFFFAOYSA-N 1 0 554.716 5.679 40 0 KKABRO CC1(C)OC[C@H](CC[N@@H+]2CCCC[C@H]2C(=O)N2CCC(c3cccc(Nc4ncc(Cl)s4)n3)CC2)O1 ZINC000585263304 1070986939 /nfs/dbraw/zinc/98/69/39/1070986939.db2.gz BDXCJJOXVIEZNU-FPOVZHCZSA-N 1 0 534.126 5.037 40 0 KKABRO CC1(C)OC[C@@H](CC[N@@H+]2CCCC[C@H]2C(=O)N2CCC(c3cccc(Nc4ncc(Cl)s4)n3)CC2)O1 ZINC000585263303 1070987009 /nfs/dbraw/zinc/98/70/09/1070987009.db2.gz BDXCJJOXVIEZNU-CTNGQTDRSA-N 1 0 534.126 5.037 40 0 KKABRO CCc1nccn1CCCOc1ccc(C[NH+]2CCC(COc3ccc(Cl)c(Cl)c3)(OC)CC2)cc1OC ZINC000585272146 1071017700 /nfs/dbraw/zinc/01/77/00/1071017700.db2.gz PZYAHVUQWVZWDT-UHFFFAOYSA-N 1 0 562.538 6.290 40 0 KKABRO COC1(COc2cccc(Cl)c2)CC[NH+](Cc2cccc(OCCCN3CCCCCC3=O)c2)CC1 ZINC000585270577 1071019068 /nfs/dbraw/zinc/01/90/68/1071019068.db2.gz FZQUUNKTDDAVDM-UHFFFAOYSA-N 1 0 515.094 5.572 40 0 KKABRO CC(C)(C)OC(=O)N1[C@@H](c2ccc(F)cc2)C[C@]2(C)[C@H]1CCC[C@H]([NH2+]Cc1ccc(OCCCN3CCCC3=O)cc1)[C@H]2O ZINC000585271428 1071024148 /nfs/dbraw/zinc/02/41/48/1071024148.db2.gz ZGIHPFCGIOAREF-ZCJFDFRWSA-N 1 0 609.783 5.977 40 0 KKABRO CCc1nccn1CCCOc1cc(C[N@@H+]2CCC[C@@](O)(COc3ccc(Cl)c(Cl)c3)CC2)ccc1OC ZINC000585272231 1071024360 /nfs/dbraw/zinc/02/43/60/1071024360.db2.gz RHZXRLRQLZRIOD-LJAQVGFWSA-N 1 0 562.538 6.026 40 0 KKABRO CCc1nccn1CCCOc1ccc(C[NH+]2CCC(O)(COc3ccc(Cl)c(Cl)c3)CC2)cc1OC ZINC000585271872 1071026150 /nfs/dbraw/zinc/02/61/50/1071026150.db2.gz PIZMHILGFRPOLI-UHFFFAOYSA-N 1 0 548.511 5.636 40 0 KKABRO CCc1nccn1CCOc1ccc(C[N@@H+]2CCC[C@](O)(COc3ccc(Cl)c(Cl)c3)CC2)cc1OC ZINC000585271159 1071025519 /nfs/dbraw/zinc/02/55/19/1071025519.db2.gz KNHYDTPRJAPRCT-MUUNZHRXSA-N 1 0 548.511 5.636 40 0 KKABRO COC1(COc2ccc(Cl)c(Cl)c2)CC[NH+](Cc2ccc(OCCn3ccc(C)n3)cc2)CC1 ZINC000585272340 1071029329 /nfs/dbraw/zinc/02/93/29/1071029329.db2.gz HRRJDKIBNHWXJD-UHFFFAOYSA-N 1 0 504.458 5.637 40 0 KKABRO Cc1cnn(CCCOc2ccc(C[N@@H+]3CCC[C@@](O)(COc4ccc(Cl)c(Cl)c4)CC3)cc2)c1 ZINC000585274756 1071030546 /nfs/dbraw/zinc/03/05/46/1071030546.db2.gz ZAZLOGDTMMMRGJ-MHZLTWQESA-N 1 0 518.485 5.763 40 0 KKABRO COc1cc(C[N@@H+]2CCC[C@@](O)(COc3ccc(Cl)c(Cl)c3)CC2)ccc1OCCCn1cccn1 ZINC000585274813 1071030645 /nfs/dbraw/zinc/03/06/45/1071030645.db2.gz OLXAAYWQONGBBQ-MHZLTWQESA-N 1 0 534.484 5.464 40 0 KKABRO COC1(COc2ccc(Cl)c(Cl)c2)CC[NH+](Cc2ccc(OCCCn3cc(C)cn3)cc2)CC1 ZINC000585274798 1071030720 /nfs/dbraw/zinc/03/07/20/1071030720.db2.gz ZTPAVIHRWXMYSG-UHFFFAOYSA-N 1 0 518.485 6.027 40 0 KKABRO COc1ccc(C[N@@H+]2CCC[C@@](O)(COc3ccc(C)cc3C)CC2)cc1OCCCn1ccnc1C ZINC000585272829 1071027756 /nfs/dbraw/zinc/02/77/56/1071027756.db2.gz XJBAADVXTQZVBM-PMERELPUSA-N 1 0 507.675 5.082 40 0 KKABRO Cc1cnn(CCCOc2cccc(C[N@@H+]3CCC[C@@](O)(COc4ccc(Cl)c(Cl)c4)CC3)c2)c1 ZINC000585272822 1071027982 /nfs/dbraw/zinc/02/79/82/1071027982.db2.gz OVARECKYGUHMEX-MHZLTWQESA-N 1 0 518.485 5.763 40 0 KKABRO COc1ccc(C[NH+]2CCC(COc3cccc(Cl)c3)(OC)CC2)cc1OCCCn1cccn1 ZINC000585274300 1071031076 /nfs/dbraw/zinc/03/10/76/1071031076.db2.gz IKTMYSPODXAQIE-UHFFFAOYSA-N 1 0 500.039 5.074 40 0 KKABRO COC1(COc2ccc(C)cc2C)CC[NH+](Cc2cccc(OCCCN3CCCCCC3=O)c2)CC1 ZINC000585272673 1071028463 /nfs/dbraw/zinc/02/84/63/1071028463.db2.gz VIVHTRAGSFTCFT-UHFFFAOYSA-N 1 0 508.703 5.535 40 0 KKABRO Cn1c2ccccc2n(CCOc2ccc(C[N@@H+]3CCC[C@](O)(COc4ccc(Cl)c(Cl)c4)CC3)cc2)c1=O ZINC000585274337 1071031626 /nfs/dbraw/zinc/03/16/26/1071031626.db2.gz VWZTYOMNNKUCOF-SSEXGKCCSA-N 1 0 570.517 5.522 40 0 KKABRO COc1cc(C[N@@H+]2CCC[C@@](O)(COc3cc(C)ccc3Cl)C2)ccc1OCCCn1cc(C)cn1 ZINC000585275018 1071032240 /nfs/dbraw/zinc/03/22/40/1071032240.db2.gz TYZGEBAPPNAHHN-NDEPHWFRSA-N 1 0 514.066 5.037 40 0 KKABRO Cc1cnn(CCOc2ccc(C[N@@H+]3CCC[C@@](O)(COc4ccc(Cl)c(Cl)c4)CC3)cc2)c1 ZINC000585273693 1071033701 /nfs/dbraw/zinc/03/37/01/1071033701.db2.gz QJDDTAAYKIQQOE-SANMLTNESA-N 1 0 504.458 5.373 40 0 KKABRO CO[C@]1(COc2ccccc2F)CCC[N@H+](Cc2ccc(OCCCn3cc(C)ccc3=O)cc2)CC1 ZINC000585280300 1071036511 /nfs/dbraw/zinc/03/65/11/1071036511.db2.gz MGZBKPKQRSXYLY-SSEXGKCCSA-N 1 0 508.634 5.215 40 0 KKABRO COc1ccc(C[NH+]2CCC(O)(COc3cc(C)c(Cl)c(C)c3)CC2)cc1OCCCn1cc(C)cn1 ZINC000585275118 1071035000 /nfs/dbraw/zinc/03/50/00/1071035000.db2.gz XHGVBBYTHKZYEX-UHFFFAOYSA-N 1 0 528.093 5.345 40 0 KKABRO Cc1ccc(=O)n(CCCOc2ccc(C[N@@H+]3CCC[C@@](O)(COc4ccc(Cl)c(Cl)c4)CC3)cc2)c1 ZINC000585280546 1071035910 /nfs/dbraw/zinc/03/59/10/1071035910.db2.gz PLDZDMXCBVEKJG-LJAQVGFWSA-N 1 0 545.507 5.729 40 0 KKABRO Cc1cc(OC[C@@]2(O)CCC[N@@H+](Cc3ccc(OCCn4ccnc4C(C)C)cc3)C2)cc(C)c1Cl ZINC000585279656 1071037802 /nfs/dbraw/zinc/03/78/02/1071037802.db2.gz FKNNRVHCKKDXHG-GDLZYMKVSA-N 1 0 512.094 5.762 40 0 KKABRO Cc1cc(OC[C@@]2(O)CCC[N@H+](Cc3ccc(OCCn4cc(Cl)cn4)cc3)C2)cc(C)c1Cl ZINC000585279690 1071038436 /nfs/dbraw/zinc/03/84/36/1071038436.db2.gz FTKRWNVTHAOKLV-AREMUKBSSA-N 1 0 504.458 5.292 40 0 KKABRO CCCOc1ccc(C[NH+]2CCC(Nc3ncnc4sc5c(c43)CC(C)(C)OC5)CC2)cc1Cn1ccnc1 ZINC000585293560 1071042444 /nfs/dbraw/zinc/04/24/44/1071042444.db2.gz ZTPSEZSWGXUEEN-UHFFFAOYSA-N 1 0 546.741 5.653 40 0 KKABRO Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C[NH+]4CCN(c5ccccc5)CC4)cc3)cc2)c1 ZINC000408926119 1071075637 /nfs/dbraw/zinc/07/56/37/1071075637.db2.gz OXAATTDHHOJFIM-UHFFFAOYSA-N 1 0 554.716 5.679 40 0 KKABRO O=C(Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)c1ccc(C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000408925065 1071078885 /nfs/dbraw/zinc/07/88/85/1071078885.db2.gz IIQMFNVUQSWNID-UHFFFAOYSA-N 1 0 544.652 5.201 40 0 KKABRO Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)c2ccc(CN3CC[NH+](Cc4ccccc4)CC3)cc2)cc1 ZINC000408922459 1071090665 /nfs/dbraw/zinc/09/06/65/1071090665.db2.gz FHQLYTADLMPTJZ-UHFFFAOYSA-N 1 0 568.743 5.674 40 0 KKABRO CC(=O)Oc1ccc2c(c(C)c(-c3ccc(O)cc3)n2Cc2ccccc2)c1OCC[NH+]1CCCCCC1 ZINC000585656292 1071126630 /nfs/dbraw/zinc/12/66/30/1071126630.db2.gz FKHUXEZISIVKGN-UHFFFAOYSA-N 1 0 512.650 6.551 40 0 KKABRO COc1cc(C[NH+]2CCC(COc3ccc(Cl)c(Cl)c3)(OC)CC2)ccc1OCCCn1ccnc1C ZINC000585272816 1071146639 /nfs/dbraw/zinc/14/66/39/1071146639.db2.gz XDXKHAKFRTXQHZ-UHFFFAOYSA-N 1 0 548.511 6.036 40 0 KKABRO Cc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccc(OC(C)C)cc3)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000102370300 1071307264 /nfs/dbraw/zinc/30/72/64/1071307264.db2.gz YUSWANZJNLVLKL-YUIGLEDNSA-N 1 0 568.673 6.764 40 0 KKABRO O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000408710406 1071507435 /nfs/dbraw/zinc/50/74/35/1071507435.db2.gz MSCPIUFLYZULJQ-UHFFFAOYSA-N 1 0 552.911 6.298 40 0 KKABRO Cc1cccc(C[NH+]2CCC(C(=O)Nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3)CC2)c1 ZINC000408710423 1071507732 /nfs/dbraw/zinc/50/77/32/1071507732.db2.gz XZYPFPJSZIJPLV-UHFFFAOYSA-N 1 0 531.600 5.665 40 0 KKABRO O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000408710421 1071507758 /nfs/dbraw/zinc/50/77/58/1071507758.db2.gz WLNKNHFAECKMSM-UHFFFAOYSA-N 1 0 536.456 5.784 40 0 KKABRO O=C(Nc1ccccc1)[C@H](NCCC[NH2+][C@@H](C(=O)Nc1ccccc1)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000408733963 1071569490 /nfs/dbraw/zinc/56/94/90/1071569490.db2.gz AABDTEGYOLXJCQ-FQLXRVMXSA-N 1 0 561.513 6.623 40 0 KKABRO CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CC[NH2+]CC(O)COc3ccc(O)cc3)cc2)cc1 ZINC001560406179 1073194972 /nfs/dbraw/zinc/19/49/72/1073194972.db2.gz LWELZQXZVBFKHY-UHFFFAOYSA-N 1 0 583.731 5.010 40 0 KKABRO CCOC(=O)c1ccc(N2CC[NH+](CC)CC2)c(NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)c1 ZINC000020968664 1073199056 /nfs/dbraw/zinc/19/90/56/1073199056.db2.gz ACOLVJAWAJNSAC-UHFFFAOYSA-N 1 0 516.425 5.824 40 0 KKABRO CC[C@H](c1nnnn1CCc1ccccc1)N(Cc1ccc(OC)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374333 551653489 /nfs/dbraw/zinc/65/34/89/551653489.db2.gz QATORHTVTRIMTM-GDLZYMKVSA-N 1 0 522.653 5.228 40 0 KKABRO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)N(Cc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000001375278 551656614 /nfs/dbraw/zinc/65/66/14/551656614.db2.gz KKOFBQROFRHZSW-LJAQVGFWSA-N 1 0 522.653 5.342 40 0 KKABRO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)N(Cc1cccs1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000001375490 551657331 /nfs/dbraw/zinc/65/73/31/551657331.db2.gz IFSFVSQZIGYMAI-VWLOTQADSA-N 1 0 516.646 5.534 40 0 KKABRO COc1cc2ccnc([C@@]3(OC(=O)c4ccccc4)CC[N@@H+]4CCc5cc(OC)c(OC)cc5[C@@H]4C3)c2cc1OC ZINC000001562494 551684326 /nfs/dbraw/zinc/68/43/26/551684326.db2.gz BFWMMRHBHRTHRY-OOOSNSGVSA-N 1 0 554.643 5.715 40 0 KKABRO C[NH+](C)Cc1c(Br)c(-c2ccc(Br)cc2)oc1-c1ccc(Br)cc1 ZINC000001595068 551685502 /nfs/dbraw/zinc/68/55/02/551685502.db2.gz PAIPDVKEHYGTRN-UHFFFAOYSA-N 1 0 514.055 6.963 40 0 KKABRO O=C(CCC[N@H+]1CC=C(c2ccccc2)CC1)c1ccc(N2CCC(O)(c3ccc(Cl)cc3)CC2)cc1 ZINC000001688504 551689361 /nfs/dbraw/zinc/68/93/61/551689361.db2.gz FGQVUHMRVCTDDD-UHFFFAOYSA-N 1 0 515.097 6.580 40 0 KKABRO CC1(C)[C@@H]2CC[C@@]1(C)C[N@H+](C[C@H](O)Cn1c3ccc(Br)cc3c3cc(Br)ccc31)C2 ZINC000002311929 552090963 /nfs/dbraw/zinc/09/09/63/552090963.db2.gz UDLROHGIZGZBJH-GSQWSPMESA-N 1 0 534.336 6.439 40 0 KKABRO COc1nc2ccc(Br)cc2cc1[C@@H](c1ccccc1)[C@](O)(CC[NH+](C)C)c1cccc2ccccc21 ZINC000003938136 552423043 /nfs/dbraw/zinc/42/30/43/552423043.db2.gz QUIJNHUBAXPXFS-BHYZAODMSA-N 1 0 555.516 7.131 40 0 KKABRO COc1ccc([C@H]2C[C@@H](OC(=O)CCc3ccc(OCc4ccccc4)cc3)C[C@H]3CCCC[N@@H+]32)cc1OCc1ccccc1 ZINC000004268343 552455004 /nfs/dbraw/zinc/45/50/04/552455004.db2.gz IHLCKJQSLDCITQ-RXVLXXFNSA-N 1 0 605.775 8.087 40 0 KKABRO COc1ccc([C@H]2C[C@H](OC(=O)CCc3ccc(OCc4ccccc4)cc3)C[C@H]3CCCC[N@@H+]32)cc1OCc1ccccc1 ZINC000004268330 552455084 /nfs/dbraw/zinc/45/50/84/552455084.db2.gz IHLCKJQSLDCITQ-ICMREOOQSA-N 1 0 605.775 8.087 40 0 KKABRO CCOC(=O)Nc1cc(N[C@H](C)CCC[NH+](CC)CC)c2ncc(-c3cc(OC)c(OC)c(OC)c3)nc2n1 ZINC000005049589 552492653 /nfs/dbraw/zinc/49/26/53/552492653.db2.gz OPEKYIAVQSJPFY-GOSISDBHSA-N 1 0 540.665 5.208 40 0 KKABRO CCOC(=O)Nc1cc(N[C@@H](C)CCC[NH+](CC)CC)c2ncc(-c3ccc(Cl)c(Cl)c3)nc2n1 ZINC000005049592 552492975 /nfs/dbraw/zinc/49/29/75/552492975.db2.gz GGHRGENORAJQQA-INIZCTEOSA-N 1 0 519.477 6.489 40 0 KKABRO CC[N@@H+]1CC[C@](O)(c2ccc(Oc3ccc(F)cc3)cc2)[C@H](C(=O)c2ccc(Oc3ccc(F)cc3)cc2)C1 ZINC000005823024 552510335 /nfs/dbraw/zinc/51/03/35/552510335.db2.gz GMXBLSPFZOFZHR-CDZUIXILSA-N 1 0 529.583 6.962 40 0 KKABRO CC(C)(C)NC(=O)[C@@H](c1ccc(F)cc1)N(C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000006074475 552523203 /nfs/dbraw/zinc/52/32/03/552523203.db2.gz YRUOXWWQKXPUHS-SSEXGKCCSA-N 1 0 618.157 5.282 40 0 KKABRO CC1(C)[C@@H]2CC[C@@]1(C)C[N@H+](C[C@H](O)Cn1c3ccccc3c3cc(I)ccc31)C2 ZINC000006077231 552528476 /nfs/dbraw/zinc/52/84/76/552528476.db2.gz ONISKAOMGDOZDW-MIAKESKMSA-N 1 0 502.440 5.518 40 0 KKABRO CC[NH+](CC)CCCN(C(=O)c1ccc(-c2ccccc2)[nH]1)[C@H](C(=O)NC1CCCCC1)c1ccc(O)cc1 ZINC000006511212 552597104 /nfs/dbraw/zinc/59/71/04/552597104.db2.gz NSXDVCKTCUADKE-PMERELPUSA-N 1 0 530.713 5.752 40 0 KKABRO CC[NH+](CC)CCN(C(=O)c1ccc(-c2ccccc2)[nH]1)[C@H](C(=O)NC1CCCCC1)c1ccc(F)cc1 ZINC000006511795 552597213 /nfs/dbraw/zinc/59/72/13/552597213.db2.gz VAFIKIUGWBKCFQ-LJAQVGFWSA-N 1 0 518.677 5.795 40 0 KKABRO CC[NH+](CC)CCCN(C(=O)c1cc(OC)c(OC)c(OC)c1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000006511275 552597229 /nfs/dbraw/zinc/59/72/29/552597229.db2.gz HXYYDXVBIMXZCR-UHFFFAOYSA-N 1 0 518.079 5.868 40 0 KKABRO Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(S(=O)(=O)Nc4cccc5ccccc54)cc3)CC2)cc1 ZINC000009063148 553205288 /nfs/dbraw/zinc/20/52/88/553205288.db2.gz GDIGQAPASMSCLM-UHFFFAOYSA-N 1 0 513.663 5.800 40 0 KKABRO Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000009063613 553205500 /nfs/dbraw/zinc/20/55/00/553205500.db2.gz JGCQYVLLIJNVOZ-UHFFFAOYSA-N 1 0 516.038 5.439 40 0 KKABRO CC[NH+]1CCN(c2ccc(NC(=O)/C=C/c3cc(Br)cc(Br)c3OC)cc2)CC1 ZINC000009886742 553314359 /nfs/dbraw/zinc/31/43/59/553314359.db2.gz SLJWCRYOVDCPLF-RUDMXATFSA-N 1 0 523.269 5.014 40 0 KKABRO Clc1ccc(CO[C@@H](C[n+]2ccn(CCc3ccccc3)c2)c2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000011726779 553340962 /nfs/dbraw/zinc/34/09/62/553340962.db2.gz SOHMGPGPUDLRGF-SANMLTNESA-N 1 0 521.295 7.590 40 0 in-man KKABRO CCc1cc([C@@H](c2ccc(F)cc2)[NH+]2CCC(Cc3ccccc3)CC2)c(NC(=O)c2ccccc2)s1 ZINC000012290231 553356774 /nfs/dbraw/zinc/35/67/74/553356774.db2.gz YZKJFDSIHXVWBS-SSEXGKCCSA-N 1 0 512.694 7.746 40 0 KKABRO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1cc2ccc(C)c(C)c2[nH]c1=O)C1CCCCC1 ZINC000013065114 553444619 /nfs/dbraw/zinc/44/46/19/553444619.db2.gz MORWGSUGVDIAMI-AREMUKBSSA-N 1 0 502.638 5.605 40 0 KKABRO CCOc1ccc2[nH]c(=O)c(CN(Cc3ccc(C)cc3)[C@@H](CC)c3nnnn3Cc3ccccc3)cc2c1 ZINC000013494855 553460578 /nfs/dbraw/zinc/46/05/78/553460578.db2.gz WHKMHEFYJJRTLZ-LJAQVGFWSA-N 1 0 522.653 5.424 40 0 KKABRO CCOc1ccc2[nH]c(=O)c(CN(Cc3ccc(C)cc3)[C@H](CC)c3nnnn3C(C)(C)CC)cc2c1 ZINC000013494845 553460625 /nfs/dbraw/zinc/46/06/25/553460625.db2.gz BLLYJLPRLBGNJE-AREMUKBSSA-N 1 0 502.663 5.520 40 0 KKABRO CCOc1ccc2[nH]c(=O)c(CN(Cc3ccc(C)cc3)[C@H](CC)c3nnnn3C3CCCC3)cc2c1 ZINC000013494849 553460673 /nfs/dbraw/zinc/46/06/73/553460673.db2.gz AOOYNZAEIWMBIH-HHHXNRCGSA-N 1 0 500.647 5.490 40 0 KKABRO CCC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1cc2ccc(OC)cc2[nH]c1=O)C1CCCCC1 ZINC000013499377 553465261 /nfs/dbraw/zinc/46/52/61/553465261.db2.gz IHTIEPYSALKOPJ-MUUNZHRXSA-N 1 0 530.673 5.256 40 0 KKABRO CCC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C1CCCCC1 ZINC000013499353 553465353 /nfs/dbraw/zinc/46/53/53/553465353.db2.gz YLYDICXIXJBHEB-HHHXNRCGSA-N 1 0 518.637 5.387 40 0 KKABRO O=C(NCCC[NH+]1CCCCCC1)c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1 ZINC000013671303 553482135 /nfs/dbraw/zinc/48/21/35/553482135.db2.gz HKMNPFJNMQOUAW-UHFFFAOYSA-N 1 0 505.684 5.078 40 0 KKABRO COc1ccc(-c2sc3cc(OC)ccc3c2C(=O)c2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000013834282 553493058 /nfs/dbraw/zinc/49/30/58/553493058.db2.gz MSRYQTKAUSVEDP-UHFFFAOYSA-N 1 0 501.648 6.681 40 0 in-vitro KKABRO CCc1c2c(nc3ccc(OC(=O)N4CCC([NH+]5CCCCC5)CC4)cc31)-c1cc3c(c(=O)n1C2)C(=O)O[C@@H]3CC ZINC000014262466 553506701 /nfs/dbraw/zinc/50/67/01/553506701.db2.gz MPKLBQKGQFVIOG-HHHXNRCGSA-N 1 0 556.663 5.058 40 0 in-vitro KKABRO Cc1sc(NC(=O)c2ccccc2)c([C@H](c2ccc(F)cc2)[NH+]2CCC(Cc3ccccc3)CC2)c1C ZINC000015441091 553533292 /nfs/dbraw/zinc/53/32/92/553533292.db2.gz XCEPNJIBHPDJMO-PMERELPUSA-N 1 0 512.694 7.800 40 0 KKABRO Cc1ccc(S[C@]2(C[NH+]3CCCC3)COc3c(Br)cc(Br)cc3C2=O)cc1 ZINC000016310837 553559711 /nfs/dbraw/zinc/55/97/11/553559711.db2.gz NBZVUOHCYVEGDE-OAQYLSRUSA-N 1 0 511.279 5.722 40 0 KKABRO COc1cc(C[NH2+][C@H](C)C23CC4CC(CC(C4)C2)C3)cc(Br)c1OCc1ccccc1Cl ZINC000016576129 553568492 /nfs/dbraw/zinc/56/84/92/553568492.db2.gz QNMHSGHYIOJDKR-IHAPDJFTSA-N 1 0 518.923 7.385 40 0 KKABRO C[C@@H]1CC[C@@H]2[N@H+](C1)C[C@H]1[C@@H]3C[C@H]4[C@H](CC(=O)[C@H]5C[C@@H](OC(=O)c6ccco6)CC[C@]45C)[C@@H]3CC[C@H]1[C@]2(C)O ZINC000070664523 553594404 /nfs/dbraw/zinc/59/44/04/553594404.db2.gz QDRWJGGEHHAYQU-RZVUVFSFSA-N 1 0 523.714 5.344 40 0 KKABRO C[C@@H]1[C@@H]2C[C@H]3[C@@](C2)([C@@H]1O)[C@@H](OC(=O)c1ccccc1)C[C@@H]1[C@@]2(C)CCC[C@@]31C=[N+](CCOC(=O)c1ccccc1)C2 ZINC000070669946 553599440 /nfs/dbraw/zinc/59/94/40/553599440.db2.gz ZGJNBFONRAJFJM-JVPSQRDGSA-N 1 0 556.723 5.386 40 0 KKABRO C[C@@H]1[C@@H]2C[C@@H]3[C@@](C2)([C@@H]1O)[C@@H](OC(=O)c1ccccc1)C[C@H]1[C@@]2(C)CCC[C@@]31C=[N+](CCOC(=O)c1ccccc1)C2 ZINC000070669945 553599514 /nfs/dbraw/zinc/59/95/14/553599514.db2.gz ZGJNBFONRAJFJM-NLBCYVHOSA-N 1 0 556.723 5.386 40 0 KKABRO CNC(=O)CCc1cc(-c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)n(-c2ccc(N3CC[NH2+]CC3)cc2)n1 ZINC000072120050 553640597 /nfs/dbraw/zinc/64/05/97/553640597.db2.gz GHBUPSVATJKTRR-UHFFFAOYSA-N 1 0 533.598 5.313 40 0 in-vitro KKABRO COC(=O)c1ccc2[nH]c(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH2+]Cc4ccc(NC(C)=O)cc4)C=C3C)nc2c1 ZINC000072321011 553647918 /nfs/dbraw/zinc/64/79/18/553647918.db2.gz CLIRUQJKIRBBEX-GNKBHMEESA-N 1 0 502.659 5.495 40 0 biogenic,in-vitro KKABRO COc1ccc2c(c1)N[C@]1(CCC[N@H+](CCCC(c3ccc(F)cc3)c3ccc(F)cc3)C1)c1cccn1-2 ZINC000072336307 553650949 /nfs/dbraw/zinc/65/09/49/553650949.db2.gz BYQTZZHMAJNZDB-YTTGMZPUSA-N 1 0 513.632 7.093 40 0 KKABRO Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C[N@H+]4CCC[C@H](C)C4)cc3)cc2)cc1Cl ZINC000020494793 553667339 /nfs/dbraw/zinc/66/73/39/553667339.db2.gz GUOCFUDFWJFYGV-IBGZPJMESA-N 1 0 512.075 5.933 40 0 KKABRO C=CC(=O)Nc1cccc(CN2c3nc(NCCCC[NH+](CC)CC)ncc3CN(c3c(Cl)c(OC)cc(OC)c3Cl)C2=O)c1 ZINC000095564544 553704651 /nfs/dbraw/zinc/70/46/51/553704651.db2.gz DNVFTXQYIYFQBW-UHFFFAOYSA-N 1 0 656.615 6.606 40 0 in-vitro KKABRO COc1cc(C[NH2+]CCCSc2nnnn2-c2ccccc2)ccc1OCc1c(F)cccc1Cl ZINC000022109091 553726533 /nfs/dbraw/zinc/72/65/33/553726533.db2.gz CPXZUASGZIGBHQ-UHFFFAOYSA-N 1 0 514.026 5.314 40 0 KKABRO O=C(NCCCN1CC[NH+](CCCNC(=O)Nc2ccc(-c3ccccc3)cc2)CC1)Nc1ccc(-c2ccccc2)cc1 ZINC000022584815 553747517 /nfs/dbraw/zinc/74/75/17/553747517.db2.gz ZOBRWSUVLTVTEM-UHFFFAOYSA-N 1 0 590.772 6.362 40 0 KKABRO O=C(NC(=S)Nc1ccc(C[NH+]2CCCCC2)cc1)c1cc(I)ccc1Cl ZINC000022838406 553757830 /nfs/dbraw/zinc/75/78/30/553757830.db2.gz IPFASLRODLLESG-UHFFFAOYSA-N 1 0 513.832 5.057 40 0 KKABRO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)cc2c1 ZINC000022866397 553763736 /nfs/dbraw/zinc/76/37/36/553763736.db2.gz BKYCKZIKDZGWLE-XIFFEERXSA-N 1 0 573.745 5.689 40 0 KKABRO O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000023227834 553771594 /nfs/dbraw/zinc/77/15/94/553771594.db2.gz DKDIOYNUXYYLMJ-UHFFFAOYSA-N 1 0 518.466 6.032 40 0 KKABRO O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000025767424 553813529 /nfs/dbraw/zinc/81/35/29/553813529.db2.gz GZZYCIBUWAGZDQ-UHFFFAOYSA-N 1 0 504.439 5.642 40 0 KKABRO COc1cc(C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)ccc1OCc1ccccc1 ZINC000032125064 553866086 /nfs/dbraw/zinc/86/60/86/553866086.db2.gz OQNMGEGLMQRYFJ-UHFFFAOYSA-N 1 0 507.634 5.849 40 0 KKABRO CCCCCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=S)N2CCC[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000098005917 554059631 /nfs/dbraw/zinc/05/96/31/554059631.db2.gz DCMPETSAAQYUAS-MUUNZHRXSA-N 1 0 661.791 5.583 40 0 KKABRO Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)NCCC[NH+]2CCCCC2)cc1)S(=O)(=O)c1ccccc1 ZINC000100078987 554205758 /nfs/dbraw/zinc/20/57/58/554205758.db2.gz NZBYGLJUFQBXLN-UHFFFAOYSA-N 1 0 540.129 5.650 40 0 KKABRO CCCCCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCC[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000100153418 554232212 /nfs/dbraw/zinc/23/22/12/554232212.db2.gz OXYGITQLHROVFI-MUUNZHRXSA-N 1 0 628.239 5.217 40 0 KKABRO COc1cc2c(cc1Br)n(Cc1ccccc1)c(CSc1ccccc1)c2C(=O)OCC[NH+](C)C ZINC000100234232 554257974 /nfs/dbraw/zinc/25/79/74/554257974.db2.gz LBLDUCQACFDLMS-UHFFFAOYSA-N 1 0 553.522 6.471 40 0 KKABRO Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)C3CC[NH+](Cc4ccccc4Cl)CC3)cc2)c(C)c1 ZINC000039755858 554280392 /nfs/dbraw/zinc/28/03/92/554280392.db2.gz VQXJRMLFBTZNGB-UHFFFAOYSA-N 1 0 512.075 5.608 40 0 KKABRO O=C(Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000039763891 554280670 /nfs/dbraw/zinc/28/06/70/554280670.db2.gz UQGRLUYBXYDIPZ-UHFFFAOYSA-N 1 0 502.011 5.131 40 0 KKABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c2ccc(C(C)C)cc2)cc1 ZINC000044873638 554306515 /nfs/dbraw/zinc/30/65/15/554306515.db2.gz CEQBECFCDAFXML-UHFFFAOYSA-N 1 0 533.738 5.616 40 0 KKABRO Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCc3ccc(C[NH+]4CCCCC4)cc3)c(Cl)c2)cc1 ZINC000044875248 554307171 /nfs/dbraw/zinc/30/71/71/554307171.db2.gz MBMWYWCZEMZRAB-UHFFFAOYSA-N 1 0 512.075 5.365 40 0 KKABRO Cc1ccc(N(C(=O)C[N@H+](CCO)C2CCCCC2)[C@@H]2C[C@H](C)N(C(=O)c3ccco3)c3ccc(C)cc32)cc1 ZINC000101994092 554864628 /nfs/dbraw/zinc/86/46/28/554864628.db2.gz YJXLQFWGGIPOKB-SETSBSEESA-N 1 0 543.708 6.037 40 0 KKABRO Clc1ccc(COc2ccc3ccccc3c2C[NH2+]CCCSc2nnnn2-c2ccccc2)c(Cl)c1 ZINC000102558793 554966260 /nfs/dbraw/zinc/96/62/60/554966260.db2.gz DCIMIDNHIVHXQQ-UHFFFAOYSA-N 1 0 550.515 6.973 40 0 KKABRO CCOc1cc(C[NH2+]CCCSc2nnnn2-c2ccccc2)cc(Br)c1OCc1ccccc1F ZINC000102558682 554966300 /nfs/dbraw/zinc/96/63/00/554966300.db2.gz OJYXNVPQFUOKBC-UHFFFAOYSA-N 1 0 572.504 5.814 40 0 KKABRO CCOc1cc(C[NH2+]CCCSc2nnnn2-c2ccccc2)cc(Br)c1OCc1ccccc1Cl ZINC000102558715 554966307 /nfs/dbraw/zinc/96/63/07/554966307.db2.gz CVLPMKREXOIWLE-UHFFFAOYSA-N 1 0 588.959 6.328 40 0 KKABRO Clc1ccc(COc2ccc(Br)cc2C[NH2+]CCSc2nnnn2-c2ccccc2)cc1 ZINC000102559362 554966920 /nfs/dbraw/zinc/96/69/20/554966920.db2.gz DKYXVGBMYVCLDX-UHFFFAOYSA-N 1 0 530.879 5.539 40 0 KKABRO CCOc1cc(C[NH2+]CCc2ccc(OC)c(OC)c2)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000102569655 554970320 /nfs/dbraw/zinc/97/03/20/554970320.db2.gz SFFMMDPTWOPKEH-UHFFFAOYSA-N 1 0 569.323 7.083 40 0 KKABRO CCc1ccc2c(c1)[C@@]1(C(=O)N2)[N@@H+]2CCC[C@@H]2[C@H](C(=O)c2ccc3ccccc3c2)[C@@]12c1ccccc1NC2=O ZINC000102775617 555062748 /nfs/dbraw/zinc/06/27/48/555062748.db2.gz DEXFPUZLJYSAEO-DFRCUKIOSA-N 1 0 527.624 5.417 40 0 KKABRO COc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccc(CC(C)C)cc3)[C@]3(c4ccccc4NC3=O)[C@H]3c4ccccc4C=CN23)cc1 ZINC000103535893 555435602 /nfs/dbraw/zinc/43/56/02/555435602.db2.gz ZNGZJSUDQYPYSO-FBMCJCTKSA-N 1 0 582.700 6.875 40 0 KKABRO C=CC(=O)Nc1cc(Nc2ncc(Cl)c(-c3c[nH]c4ccccc43)n2)c(OC)cc1N(C)CC[NH+](C)C ZINC000147068258 562839135 /nfs/dbraw/zinc/83/91/35/562839135.db2.gz SUPQPCQJBYPRPC-UHFFFAOYSA-N 1 0 520.037 5.153 40 0 KKABRO CCOC(=O)[C@@](C)(N)Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1 ZINC000150342511 562843164 /nfs/dbraw/zinc/84/31/64/562843164.db2.gz LWZCMKGGFONJPB-SFHVURJKSA-N 1 0 818.953 5.426 40 0 in-man KKABRO CCCOc1ccc(C(O)=C2[C@@H](C(=O)c3ccccn3)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000103288139 571361624 /nfs/dbraw/zinc/36/16/24/571361624.db2.gz NZTUBLJDNCPHMP-ACZXLBTNSA-N 1 0 555.634 5.852 40 0 KKABRO COc1cccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc(OC(C)C)cc3)[C@@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN23)c1 ZINC000103527975 571361744 /nfs/dbraw/zinc/36/17/44/571361744.db2.gz DEEGGLHMMXTTDS-JWXXLELASA-N 1 0 584.672 6.464 40 0 KKABRO CC(=O)O[C@@H]1CC[C@@]2(C)[C@H]3CC=C4[C@H]5CC(C)(C)CC[C@]5(C(=O)NCC[NH+](C)C)CC[C@]4(C)[C@]3(C)CC[C@@H]2C1(C)C ZINC000104269964 571378201 /nfs/dbraw/zinc/37/82/01/571378201.db2.gz XMEBYGAEVAMHEQ-SGWVKILESA-N 1 0 568.887 7.398 40 0 KKABRO O=C(Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000108509418 571425914 /nfs/dbraw/zinc/42/59/14/571425914.db2.gz AFKCGRPFIXTHNZ-UHFFFAOYSA-N 1 0 552.911 6.298 40 0 KKABRO O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000108517087 571426051 /nfs/dbraw/zinc/42/60/51/571426051.db2.gz YZQWGRMFPXQVMF-UHFFFAOYSA-N 1 0 546.462 5.240 40 0 KKABRO O=C(Nc1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000108552842 571426158 /nfs/dbraw/zinc/42/61/58/571426158.db2.gz UELWMTKHDUYZIB-UHFFFAOYSA-N 1 0 534.081 6.145 40 0 KKABRO O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000108578041 571426272 /nfs/dbraw/zinc/42/62/72/571426272.db2.gz KMRPNBICBKPSEG-UHFFFAOYSA-N 1 0 562.917 5.754 40 0 KKABRO O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000108582174 571426295 /nfs/dbraw/zinc/42/62/95/571426295.db2.gz OYFNDRKDRMHGPT-UHFFFAOYSA-N 1 0 536.456 5.784 40 0 KKABRO CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CC[NH+]5CCCCC5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118922030 571446620 /nfs/dbraw/zinc/44/66/20/571446620.db2.gz UVVRCAOQNORAME-SPDPUCMQSA-N 1 0 525.862 8.816 40 0 KKABRO CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(=O)CC[NH+]5CCCCC5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118922032 571446664 /nfs/dbraw/zinc/44/66/64/571446664.db2.gz UVVRCAOQNORAME-AZNRHKSASA-N 1 0 525.862 8.816 40 0 KKABRO CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H]([NH+]4CCCCC4)C=C4C[C@@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118926383 571447171 /nfs/dbraw/zinc/44/71/71/571447171.db2.gz XSWCEFIPJIPPPW-XZJZVSHESA-N 1 0 573.906 9.718 40 0 KKABRO C[C@H]1[C@H]2CC[C@H](C)C[N@@H+]2[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(COC(=O)c3ccccc3)[C@@H]12 ZINC000118936291 571447938 /nfs/dbraw/zinc/44/79/38/571447938.db2.gz YAMLGKVIAKRQOH-WUTWXKHWSA-N 1 0 517.754 6.492 40 0 KKABRO O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000139849290 571453979 /nfs/dbraw/zinc/45/39/79/571453979.db2.gz SZJAYRLYBCLASP-UHFFFAOYSA-N 1 0 566.045 5.466 40 0 KKABRO COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000139854806 571454092 /nfs/dbraw/zinc/45/40/92/571454092.db2.gz YJHZNEULRRUHCI-UHFFFAOYSA-N 1 0 569.727 5.617 40 0 KKABRO C[NH+](C)CC[C@@](O)(c1cccc2ccccc21)[C@@H](c1ccccc1)c1cnc2ccc(Br)cc2c1 ZINC000144782716 571456532 /nfs/dbraw/zinc/45/65/32/571456532.db2.gz CAZMLEZKNNXBTD-IOWSJCHKSA-N 1 0 525.490 7.122 40 0 KKABRO C=CC(=O)N1CCC[C@H]1Cn1c2ccc(C[NH2+][C@@H](C)C(C)(C)C)cc2nc1NC(=O)c1ccc(C(F)F)s1 ZINC000146034549 571456597 /nfs/dbraw/zinc/45/65/97/571456597.db2.gz NXTKFBGDLDPFLB-HKUYNNGSSA-N 1 0 543.684 5.989 40 0 KKABRO Cc1ccc(S(=O)(=O)NC(=[NH2+])NCCC[C@H](NC(=O)OCc2ccccc2)C(=O)N[C@@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)cc1 ZINC000150361950 571463918 /nfs/dbraw/zinc/46/39/18/571463918.db2.gz NHCVBIVFFSAZGG-MFTACFFFSA-N 1 0 733.976 5.681 40 0 KKABRO CC(C)(C)C[C@@H]1[N@@H+]2[C@H](C(=O)O[C@@H](c3ccccc3)[C@H]2c2ccccc2)[C@@H](c2cccc(Cl)c2F)[C@@]12C(=O)Nc1cc(Cl)ccc12 ZINC000150365396 571464576 /nfs/dbraw/zinc/46/45/76/571464576.db2.gz RPMFQFBFADLWIT-URKIQJCYSA-N 1 0 643.586 8.635 40 0 KKABRO Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3ccc(N4CCN(Cc5ccccc5Cl)CC4)c(Cl)c3)o2)cc1Cl ZINC000150392531 571474489 /nfs/dbraw/zinc/47/44/89/571474489.db2.gz OQWSARGMSDVKMJ-JLHYYAGUSA-N 1 0 640.036 8.064 40 0 KKABRO O=P(Oc1ccccc1)(Oc1ccccc1)O[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1OP(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000150392345 571474493 /nfs/dbraw/zinc/47/44/93/571474493.db2.gz YCKNZRXIKHVAIL-VSJLXWSYSA-N 1 0 657.596 8.805 40 0 KKABRO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c(C)n1CCC[NH+]1CCOCC1 ZINC000224263999 571509471 /nfs/dbraw/zinc/50/94/71/571509471.db2.gz BMYRMQXRUKIWLP-WUFINQPMSA-N 1 0 503.716 5.016 40 0 KKABRO COc1ccc(Cc2nccc3c2cc(OC)c(OC)c3Cc2c3ccnc(Cc4ccc(OC)c(OC)c4)c3cc(OC)c2OC)cc1OC ZINC000150477741 571511208 /nfs/dbraw/zinc/51/12/08/571511208.db2.gz FPSUGWIUWOHMNI-UHFFFAOYSA-N 1 0 690.793 7.624 40 0 KKABRO O[C@@H](Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21)C[N@H+](C[C@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21)C[C@H]1CCCO1 ZINC000150502435 571518932 /nfs/dbraw/zinc/51/89/32/571518932.db2.gz WSQAWOBAVBJCPO-KWXIBIRDSA-N 1 0 685.479 8.419 40 0 KKABRO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1CCC[NH+]1CCOCC1 ZINC000224461021 571551234 /nfs/dbraw/zinc/55/12/34/571551234.db2.gz AWTVKXLJCPQKHF-IZZNHLLZSA-N 1 0 510.107 5.053 40 0 KKABRO Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCc3ccc(C[NH+]4CCCC4)cc3)Oc3ccc(C(C)(C)C)cc32)cc1 ZINC000224505964 571562666 /nfs/dbraw/zinc/56/26/66/571562666.db2.gz FOAXOZISCUNUOU-PMERELPUSA-N 1 0 561.748 5.161 40 0 KKABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c2ccc(Cl)c(Cl)c2)cc1 ZINC000224523701 571566113 /nfs/dbraw/zinc/56/61/13/571566113.db2.gz XMIPQUMINOMRIV-UHFFFAOYSA-N 1 0 560.547 5.799 40 0 KKABRO CN1c2ccccc2C(C)(C)C1=CC=C1C=C(C=CC2=[N+](CCCCCC(=O)NCCN3C(=O)C=CC3=O)c3ccccc3C2(C)C)CCC1 ZINC000205998282 571572286 /nfs/dbraw/zinc/57/22/86/571572286.db2.gz XJPNHQHOCKYENG-UHFFFAOYSA-O 1 0 671.906 7.569 40 0 KKABRO O=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224594434 571582600 /nfs/dbraw/zinc/58/26/00/571582600.db2.gz YXMDRBDYTCAHGP-UHFFFAOYSA-N 1 0 532.493 5.101 40 0 KKABRO O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224595165 571582814 /nfs/dbraw/zinc/58/28/14/571582814.db2.gz HVGGEUNVPOHEHA-UHFFFAOYSA-N 1 0 566.045 5.466 40 0 KKABRO CC1CC[NH+](Cc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4cccc(Cl)c4Cl)cc3)cc2)CC1 ZINC000216004674 571591555 /nfs/dbraw/zinc/59/15/55/571591555.db2.gz DSFCOQACQHZLFP-UHFFFAOYSA-N 1 0 532.493 6.278 40 0 KKABRO CC(C)(C)C[C@@H]1[N@@H+]2[C@H](C(=O)O[C@H](c3ccccc3)[C@@H]2c2ccccc2)[C@@H](c2cccc(Cl)c2F)[C@@]12C(=O)Nc1cc(Cl)ccc12 ZINC000216381788 571595392 /nfs/dbraw/zinc/59/53/92/571595392.db2.gz RPMFQFBFADLWIT-YHOUDVHDSA-N 1 0 643.586 8.635 40 0 KKABRO Cc1ccccc1Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cc[nH+]cc2)cc1 ZINC000224662205 571598196 /nfs/dbraw/zinc/59/81/96/571598196.db2.gz ZHACZWCHHVRFPQ-WDYNHAJCSA-N 1 0 503.631 6.545 40 0 KKABRO Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3cccc(C[NH+]4CCCCC4)c3)ccc2C)c(C)c1 ZINC000224663739 571598701 /nfs/dbraw/zinc/59/87/01/571598701.db2.gz RXDUJJWNXJJOBU-UHFFFAOYSA-N 1 0 505.684 5.329 40 0 KKABRO CS(=O)(=O)N(Cc1ccc(C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)cc1)c1cccc(Cl)c1Cl ZINC000224667918 571599150 /nfs/dbraw/zinc/59/91/50/571599150.db2.gz GKPQTUVNJRNGMK-UHFFFAOYSA-N 1 0 560.547 5.876 40 0 KKABRO Cc1ccc(S[C@@]2(C[N@H+]3CCC[C@@H](C)C3)COc3c(Br)cc(Br)cc3C2=O)cc1 ZINC000221892012 571604616 /nfs/dbraw/zinc/60/46/16/571604616.db2.gz SAZHBSVEMUSHAZ-MWTRTKDXSA-N 1 0 539.333 6.358 40 0 KKABRO Cc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cccn3-c3cc[nH+]cc3)cc2)cc1 ZINC000224696368 571606126 /nfs/dbraw/zinc/60/61/26/571606126.db2.gz BCJSZWBKEVXEIQ-VMPREFPWSA-N 1 0 503.631 6.545 40 0 KKABRO O=C(NCc1ccccc1C[NH+]1CCCC1)c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000224778533 571616231 /nfs/dbraw/zinc/61/62/31/571616231.db2.gz QACWOTQCUHPXIU-GDLZYMKVSA-N 1 0 520.098 5.640 40 0 KKABRO O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000224818428 571620029 /nfs/dbraw/zinc/62/00/29/571620029.db2.gz WXXNACYHTCSCGU-UHFFFAOYSA-N 1 0 546.520 5.491 40 0 KKABRO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1CCC[NH+]1CCOCC1 ZINC000224925564 571630597 /nfs/dbraw/zinc/63/05/97/571630597.db2.gz AESZIJNOEBTGKJ-SVBPBHIXSA-N 1 0 568.585 5.470 40 0 KKABRO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1CCC[NH+]1CCOCC1 ZINC000224983779 571636200 /nfs/dbraw/zinc/63/62/00/571636200.db2.gz RYIRKDOXPRUKNJ-ROJLCIKYSA-N 1 0 607.268 6.289 40 0 KKABRO COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cc[nH+]cc2)ccc1NC(=O)C(C)(C)C ZINC000225094918 571646726 /nfs/dbraw/zinc/64/67/26/571646726.db2.gz YJCBZDQWIABVMP-FTJBHMTQSA-N 1 0 526.666 5.438 40 0 KKABRO COc1cc(C[NH+]2CCC(NC(=S)Nc3ccc(Nc4ccccc4)cc3)CC2)cc(OC)c1OC ZINC000225228091 571660207 /nfs/dbraw/zinc/66/02/07/571660207.db2.gz BWUDJUMGUJTNGC-UHFFFAOYSA-N 1 0 506.672 5.407 40 0 KKABRO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1CCC[NH+]1CCOCC1 ZINC000225702766 572033513 /nfs/dbraw/zinc/03/35/13/572033513.db2.gz GGJIDMPMCRDIQV-CZNDPXEESA-N 1 0 596.801 5.377 40 0 KKABRO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1CCC[NH+]1CCOCC1 ZINC000225702796 572033648 /nfs/dbraw/zinc/03/36/48/572033648.db2.gz GGJIDMPMCRDIQV-SAIUNTKASA-N 1 0 596.801 5.377 40 0 KKABRO O=C(Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(Cl)cc1)CC2)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000225904294 572080604 /nfs/dbraw/zinc/08/06/04/572080604.db2.gz NTBQUBANRCJGGL-OAQYLSRUSA-N 1 0 544.504 5.596 40 0 KKABRO COc1ccc([C@@H]2C[C@H](OC(=O)CCc3ccc(OCc4ccccc4)cc3)C[C@@H]3CCCC[N@@H+]32)cc1OCc1ccccc1 ZINC000226326038 572135769 /nfs/dbraw/zinc/13/57/69/572135769.db2.gz IHLCKJQSLDCITQ-GSGZQRTFSA-N 1 0 605.775 8.087 40 0 KKABRO C[NH+](C)CCCNc1nc(-c2cccc(OC(F)(F)F)c2)cc(=NNc2ccc(Cl)cc2Cl)[nH]1 ZINC000328966286 572146696 /nfs/dbraw/zinc/14/66/96/572146696.db2.gz CKYGNKDWCAHPNI-UHFFFAOYSA-N 1 0 515.367 6.152 40 0 KKABRO C[NH+](C)CCCNc1nc(Nc2ccc(Cl)cc2Cl)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329041327 572150130 /nfs/dbraw/zinc/15/01/30/572150130.db2.gz SIEYNTIGKIPWBX-UHFFFAOYSA-N 1 0 500.352 5.300 40 0 KKABRO COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=S)NC(=O)C=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)c1 ZINC000408575455 572260524 /nfs/dbraw/zinc/26/05/24/572260524.db2.gz VAYXXMVSDRJGFV-UXBLZVDNSA-N 1 0 573.502 5.318 40 0 KKABRO O[C@H](COc1cccc2ncccc21)CN1CCN([C@@H]2c3ccccc3[C@H]3[C@@H](c4ccccc42)C3(F)F)CC1 ZINC000253633624 572301900 /nfs/dbraw/zinc/30/19/00/572301900.db2.gz IHOVFYSQUDPMCN-MTJHCIAXSA-N 1 0 527.615 5.211 40 0 KKABRO O[C@@H](COc1cccc2ncccc21)CN1CCN([C@@H]2c3ccccc3[C@H]3[C@@H](c4ccccc42)C3(F)F)CC1 ZINC000253633622 572301905 /nfs/dbraw/zinc/30/19/05/572301905.db2.gz IHOVFYSQUDPMCN-CPESPADLSA-N 1 0 527.615 5.211 40 0 in-vitro KKABRO CC(C)(C)n1ccc([C@H]2C[C@@H](C(=O)NC34CC5(C)CC(C)(CC(C)(C5)C3)C4)[NH2+][C@H]2c2ccc(C(F)(F)F)cc2)n1 ZINC000257211679 572307338 /nfs/dbraw/zinc/30/73/38/572307338.db2.gz BZXCAMCGPOITLS-ZNLZWRSPSA-N 1 0 556.717 7.099 40 0 KKABRO CC(C)(C)OC(=O)n1cc(-c2ccc(C[NH+]3CCCCC3)cc2)c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 ZINC000257213816 572307678 /nfs/dbraw/zinc/30/76/78/572307678.db2.gz CJEMJVVTONDDLQ-DEOSSOPVSA-N 1 0 524.706 6.434 40 0 KKABRO Cc1cc(C[NH+]2CCC(COc3ccccc3)(CC(=O)N(C)Cc3ccccc3)CC2)c(C)n1Cc1ccccc1 ZINC000257225489 572308814 /nfs/dbraw/zinc/30/88/14/572308814.db2.gz FGLACYJBNZRWQE-UHFFFAOYSA-N 1 0 549.759 6.863 40 0 KKABRO CN(Cc1ccccc1)C(=O)CC1(COc2ccccc2)CC[NH+](Cc2cnn(Cc3ccccc3)c2)CC1 ZINC000257240436 572310229 /nfs/dbraw/zinc/31/02/29/572310229.db2.gz HTMPFKVMGORSCV-UHFFFAOYSA-N 1 0 522.693 5.641 40 0 KKABRO CC(C)(C)c1csc(NC(=O)[C@@H]2C[C@H](c3ccn(C(C)(C)C)n3)[C@H](c3cccc(C(F)(F)F)c3)[NH2+]2)n1 ZINC000257258835 572311929 /nfs/dbraw/zinc/31/19/29/572311929.db2.gz KVSVFDNLPSEHKJ-LMNJBCLMSA-N 1 0 519.637 6.236 40 0 KKABRO CCCn1c(C)cc(C[NH+]2CCC(COc3ccccc3)(CC(=O)N(C)Cc3ccccc3)CC2)c1C ZINC000257262993 572312288 /nfs/dbraw/zinc/31/22/88/572312288.db2.gz LNXFYLLYUCISMN-UHFFFAOYSA-N 1 0 501.715 6.225 40 0 KKABRO C[C@H]1CC[C@H]2[C@H](O1)c1cc(OCc3ccccc3)c(C[N@H+](CCCn3ccnc3)Cc3cccc(F)c3)cc1OC2(C)C ZINC000257332282 572319011 /nfs/dbraw/zinc/31/90/11/572319011.db2.gz XWNYIKZLQQHYKH-GFPVVPEVSA-N 1 0 583.748 7.721 40 0 KKABRO O[C@@H](Cn1c2ccc(Br)cc2c2cc(Br)ccc21)CN1CC[NH+](C[C@@H](O)Cn2c3ccccc3c3ccccc32)CC1 ZINC000067997816 1069681374 /nfs/dbraw/zinc/68/13/74/1069681374.db2.gz NYNOXQKYMUGVGH-CLJLJLNGSA-N 1 0 690.480 6.467 40 0 KKABRO COc1ccc(-c2cc([C@H]3C[N@@H+]4CC[C@H]3C[C@@H]4CN(Cc3ccco3)Cc3ccco3)nc(C)n2)cc1OC ZINC000067870593 1069681489 /nfs/dbraw/zinc/68/14/89/1069681489.db2.gz DMDNOGJDJCXPRQ-LLGBQNBKSA-N 1 0 528.653 5.535 40 0 biogenic,in-vitro KKABRO Cc1cccc(C)c1C(OC[C@H](O)CNCC[NH2+]C[C@@H](O)COC(c1c(C)cccc1C)c1c(C)cccc1C)c1c(C)cccc1C ZINC000100455350 1069697497 /nfs/dbraw/zinc/69/74/97/1069697497.db2.gz WBLGWFJIQSAYKO-LQFQNGICSA-N 1 0 652.920 6.967 40 0 KKABRO Cn1cc(C[NH+](Cc2cn(C)c3ccccc23)C[C@H]2Cn3c(-c4ccc(F)cc4)cnc3CO2)c2ccccc21 ZINC000107284054 1069716300 /nfs/dbraw/zinc/71/63/00/1069716300.db2.gz CTDJYWVYTKBYDB-MHZLTWQESA-N 1 0 533.651 6.274 40 0 biogenic,in-vitro KKABRO O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000408924523 1070243089 /nfs/dbraw/zinc/24/30/89/1070243089.db2.gz OYMDRQBUERQPQX-UHFFFAOYSA-N 1 0 540.689 5.058 40 0 KKABRO Cc1ccccc1CCc1nc(N2CCC[C@H]2c2ccc(Cl)cc2)ncc1C(=O)N1CCC([N@H+](C)C2CCCCC2)CC1 ZINC000585266696 1071001892 /nfs/dbraw/zinc/00/18/92/1071001892.db2.gz LMHGYDXHGCOBBD-UMSFTDKQSA-N 1 0 600.251 7.434 40 0 KKABRO OCC[N@@H+](Cc1ccc(OCc2ccccn2)cc1)C[C@@H](O)CN1c2ccccc2Sc2ccccc21 ZINC000585269872 1071016600 /nfs/dbraw/zinc/01/66/00/1071016600.db2.gz OBIOXKDJIUZQEJ-RUZDIDTESA-N 1 0 513.663 5.119 40 0 KKABRO Cc1noc(C)c1COc1ccc(C[N@H+](CCO)C[C@@H](O)CN2c3ccccc3Sc3ccccc32)cc1 ZINC000585270505 1071019625 /nfs/dbraw/zinc/01/96/25/1071019625.db2.gz XYCWYSJRQNXEHV-XMMPIXPASA-N 1 0 531.678 5.329 40 0 KKABRO CCc1nccn1CCCOc1cccc(C[N@@H+]2CCC[C@](O)(COc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000585270484 1071019847 /nfs/dbraw/zinc/01/98/47/1071019847.db2.gz DTSLGRKFIYSZHD-MUUNZHRXSA-N 1 0 532.512 6.017 40 0 KKABRO O=C1CCCN1CCCOc1cccc(C[N@H+]2CCC[C@@](O)(COc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000585270087 1071021611 /nfs/dbraw/zinc/02/16/11/1071021611.db2.gz BRXYRWDKHVLMGR-MHZLTWQESA-N 1 0 521.485 5.181 40 0 KKABRO COc1cc(C[N@@H+]2CCC[C@](O)(COc3ccc(C)cc3C)CC2)ccc1OCCCn1ccnc1C ZINC000585271857 1071026288 /nfs/dbraw/zinc/02/62/88/1071026288.db2.gz PBRULVYONHIYKA-SSEXGKCCSA-N 1 0 507.675 5.082 40 0 KKABRO CCc1nccn1CCCOc1cc(C[N@@H+]2CCC[C@@](COc3ccc(C)cc3)(OC)CC2)ccc1OC ZINC000585271785 1071022991 /nfs/dbraw/zinc/02/29/91/1071022991.db2.gz OFLPUXDPJPUOOZ-WJOKGBTCSA-N 1 0 521.702 5.682 40 0 KKABRO COc1cc(C[N@@H+]2CCC[C@](O)(COc3cc(C)c(Cl)c(C)c3)C2)ccc1OCCCn1ccnc1 ZINC000585271768 1071023068 /nfs/dbraw/zinc/02/30/68/1071023068.db2.gz NXSJBROOJWWLOK-MUUNZHRXSA-N 1 0 514.066 5.037 40 0 KKABRO Cc1ccc(Cl)c(OCC2(O)CC[NH+](Cc3cccc(OCCCN4CCCCCC4=O)c3)CC2)c1 ZINC000585271890 1071025991 /nfs/dbraw/zinc/02/59/91/1071025991.db2.gz PUGKUSKIBYRUSH-UHFFFAOYSA-N 1 0 515.094 5.226 40 0 KKABRO COc1cc(C[N@@H+]2CCC[C@@](O)(COc3ccc(C)cc3C)CC2)ccc1OCCCn1ccnc1C ZINC000585271856 1071026027 /nfs/dbraw/zinc/02/60/27/1071026027.db2.gz PBRULVYONHIYKA-PMERELPUSA-N 1 0 507.675 5.082 40 0 KKABRO Cc1cnn(CCCOc2cccc(C[NH+]3CCC(O)(COc4ccc(Cl)c(Cl)c4)CC3)c2)c1 ZINC000585272410 1071029164 /nfs/dbraw/zinc/02/91/64/1071029164.db2.gz SWDQXGDNDLWOLW-UHFFFAOYSA-N 1 0 504.458 5.373 40 0 KKABRO CCc1nccn1CCCOc1ccc(C[N@@H+]2CCC[C@](O)(COc3ccc(C)cc3)CC2)cc1OC ZINC000585272352 1071029556 /nfs/dbraw/zinc/02/95/56/1071029556.db2.gz SJBQFPVEMJKWPJ-SSEXGKCCSA-N 1 0 507.675 5.028 40 0 KKABRO Cc1cc(C)n(CCOc2cccc(C[N@@H+]3CCC[C@@](O)(COc4ccc(Cl)c(Cl)c4)CC3)c2)n1 ZINC000585273074 1071029917 /nfs/dbraw/zinc/02/99/17/1071029917.db2.gz QQHOAAHNHJLSEE-MHZLTWQESA-N 1 0 518.485 5.682 40 0 KKABRO Cc1cnn(CCCOc2cccc(C[N@@H+]3CCC[C@](O)(COc4ccc(Cl)c(Cl)c4)CC3)c2)c1 ZINC000585272821 1071027781 /nfs/dbraw/zinc/02/77/81/1071027781.db2.gz OVARECKYGUHMEX-HHHXNRCGSA-N 1 0 518.485 5.763 40 0 KKABRO CCc1nccn1CCOc1ccc(C[N@@H+]2CCC[C@@](COc3ccccc3F)(OC)CC2)cc1OC ZINC000585272641 1071028469 /nfs/dbraw/zinc/02/84/69/1071028469.db2.gz VBSRJXRAYPAHIU-GDLZYMKVSA-N 1 0 511.638 5.122 40 0 KKABRO Cc1cc(OC[C@]2(O)CCC[N@H+](Cc3cccc(OCCCN4CCCCCC4=O)c3)C2)cc(C)c1Cl ZINC000585274122 1071031841 /nfs/dbraw/zinc/03/18/41/1071031841.db2.gz WGNYNLVGWXQZAG-PMERELPUSA-N 1 0 529.121 5.534 40 0 KKABRO CO[C@]1(COc2ccc(C)cc2)CCC[N@H+](Cc2ccc(OCCn3c4ccccc4n(C)c3=O)cc2)CC1 ZINC000585272047 1071032221 /nfs/dbraw/zinc/03/22/21/1071032221.db2.gz FFWALEICWLVFKY-JGCGQSQUSA-N 1 0 529.681 5.178 40 0 KKABRO COc1ccc(C[N@@H+]2CCC[C@@](O)(COc3ccc(C)cc3C)CC2)cc1OCCCn1cc(C)cn1 ZINC000585273829 1071033001 /nfs/dbraw/zinc/03/30/01/1071033001.db2.gz FEPSJTPIUYUSPV-PMERELPUSA-N 1 0 507.675 5.082 40 0 KKABRO CCOc1cc(C[NH2+][C@H]2CCC[C@H]3N(C(=O)OC(C)(C)C)[C@@H](c4ccc(F)cc4)C[C@@]3(C)[C@@H]2O)ccc1OCCN1CCOCC1 ZINC000585273798 1071033112 /nfs/dbraw/zinc/03/31/12/1071033112.db2.gz RUTDPJRTJHHEFV-GDFPXTFASA-N 1 0 641.825 5.695 40 0 KKABRO COc1ccc(C[N@@H+]2CCC[C@](O)(COc3cc(C)c(Cl)c(C)c3)C2)cc1OCCCN1CCCCCC1=O ZINC000585280272 1071036416 /nfs/dbraw/zinc/03/64/16/1071036416.db2.gz LJWNXLHCWHVICG-WJOKGBTCSA-N 1 0 559.147 5.543 40 0 KKABRO CCc1nccn1CCCOc1cc(C[N@@H+]2CCC[C@@](O)(COc3cc(C)ccc3Cl)C2)ccc1OC ZINC000585273333 1071033520 /nfs/dbraw/zinc/03/35/20/1071033520.db2.gz ZVYLWDSSPZMNEV-LJAQVGFWSA-N 1 0 528.093 5.291 40 0 KKABRO Cc1ccc(=O)n(CCCOc2ccc(C[NH+]3CCC(O)(COc4ccc(Cl)c(Cl)c4)CC3)cc2)c1 ZINC000585278891 1071034334 /nfs/dbraw/zinc/03/43/34/1071034334.db2.gz AVVGLWPILSOFDN-UHFFFAOYSA-N 1 0 531.480 5.339 40 0 KKABRO COc1cc(C[NH+]2CCC(COc3ccc(Cl)c(Cl)c3)(OC)CC2)ccc1OCCCN1CCCCCC1=O ZINC000585280586 1071035769 /nfs/dbraw/zinc/03/57/69/1071035769.db2.gz QAYOAURRXUBCOB-UHFFFAOYSA-N 1 0 579.565 6.234 40 0 KKABRO OC1(COc2ccc(Cl)c(Cl)c2)CC[NH+](Cc2ccc(OCCn3cc(Cl)cn3)cc2)CC1 ZINC000585280735 1071035894 /nfs/dbraw/zinc/03/58/94/1071035894.db2.gz RYALHBGHDHLPHA-UHFFFAOYSA-N 1 0 510.849 5.328 40 0 KKABRO Cc1cnn(CCCOc2ccc(C[NH+]3CCC(Nc4ncnc5sc6c(c54)CC(C)(C)OC6)CC3)cc2)c1 ZINC000585293248 1071042818 /nfs/dbraw/zinc/04/28/18/1071042818.db2.gz SQXJNTAIUDHLJA-UHFFFAOYSA-N 1 0 546.741 5.593 40 0 KKABRO CCCc1nc2sc(C)c(C)c2c(NC2CC[NH+](Cc3ccc(OC(C)C)c(Cn4cccn4)c3)CC2)n1 ZINC000585295454 1071044404 /nfs/dbraw/zinc/04/44/04/1071044404.db2.gz ZQIFXQJECDRDLW-UHFFFAOYSA-N 1 0 532.758 6.369 40 0 KKABRO O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1)c1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000408921702 1071093959 /nfs/dbraw/zinc/09/39/59/1071093959.db2.gz VLZVLVVRXIWVJT-UHFFFAOYSA-N 1 0 619.585 5.820 40 0 KKABRO C[C@]1(N(CC[NH2+]C(c2ccccc2)c2ccccc2)C(c2ccccc2)c2ccccc2)CCS(=O)(=O)C1 ZINC000575421762 1071138518 /nfs/dbraw/zinc/13/85/18/1071138518.db2.gz RIVHCPAXLCLBCR-XIFFEERXSA-N 1 0 524.730 6.034 40 0 KKABRO C=C1[NH+]=C(SCC(=O)Nc2cccc(Cl)c2C)N[C@@H](c2cccc(Br)c2)C1C(=O)OCC ZINC000408985224 1071501785 /nfs/dbraw/zinc/50/17/85/1071501785.db2.gz AHVORUIEXGJADD-NRFANRHFSA-N 1 0 536.879 5.620 40 0 KKABRO Cc1ccccc1C[NH+]1CCC(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3Cl)cc2)CC1 ZINC000408710416 1071507646 /nfs/dbraw/zinc/50/76/46/1071507646.db2.gz RXNNTQQZVPNONW-UHFFFAOYSA-N 1 0 532.493 5.953 40 0 KKABRO C=C1[NH+]=C(SCC(=O)Nc2c(C)cccc2C)N[C@H](c2cccc(Br)c2)C1C(=O)OCC ZINC000408990878 1071584576 /nfs/dbraw/zinc/58/45/76/1071584576.db2.gz ORNOXQWFTUMWJE-JOCHJYFZSA-N 1 0 516.461 5.275 40 0 KKABRO C=C1[NH+]=C(SCc2cc(OC)ccc2OC)N[C@@H](c2cccc(Br)c2)C1C(=O)OCC ZINC000408988168 1071607206 /nfs/dbraw/zinc/60/72/06/1071607206.db2.gz HIMDKUWOINIUEJ-NRFANRHFSA-N 1 0 505.434 5.237 40 0 KKABRO CCCCCC[N@@H+]1CC[C@H]2CC(=O)N(CCc3ccc(OC)cc3)C[C@H](O)C(C)(C)COCCC[C@H]2C1 ZINC001534612822 1073172117 /nfs/dbraw/zinc/17/21/17/1073172117.db2.gz LJSMAAUXDBBRNO-YCVJPRETSA-N 1 0 516.767 5.172 40 0 KKABRO Cc1nnc(C(C)C)n1[C@H]1C[C@@H]2CC[C@H]([C@@H]1F)[N@@H+]2CC[C@@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 ZINC001542979607 1073173799 /nfs/dbraw/zinc/17/37/99/1073173799.db2.gz HMRMOIPZWJGLDG-ZLILOBPGSA-N 1 0 531.667 5.899 40 0 KKABRO COc1cc([C@H](CC(=O)NC[C@H](c2cc(OC)c(OC)c(OC)c2)[NH+](C)C)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc(OC)c1OC ZINC001547139115 1073184106 /nfs/dbraw/zinc/18/41/06/1073184106.db2.gz JWJFXGGPASITAC-LGXAAPQCSA-N 1 0 792.923 6.572 40 0 KKABRO COc1cc([C@@H](CC(=O)N[C@@H]2C[NH+]3CCC2CC3)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc(OC)c1OC ZINC001547139664 1073188668 /nfs/dbraw/zinc/18/86/68/1073188668.db2.gz XJJJDTIAPZNBTC-XDAJTCOGSA-N 1 0 664.796 5.338 40 0 KKABRO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)N(Cc1ccc(C)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374258 551653495 /nfs/dbraw/zinc/65/34/95/551653495.db2.gz JGESJIQTISMPCX-GDLZYMKVSA-N 1 0 522.653 5.342 40 0 KKABRO CC[C@@H](c1nnnn1CCc1ccccc1)N(Cc1ccc(OC)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374332 551653531 /nfs/dbraw/zinc/65/35/31/551653531.db2.gz QATORHTVTRIMTM-LJAQVGFWSA-N 1 0 522.653 5.228 40 0 KKABRO CC[C@@H](c1nnnn1CCc1ccccc1)N(Cc1ccc(C)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374500 551654031 /nfs/dbraw/zinc/65/40/31/551654031.db2.gz NYXRFHJTZQUERQ-LJAQVGFWSA-N 1 0 522.653 5.228 40 0 KKABRO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)N(Cc1ccc(F)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374511 551654034 /nfs/dbraw/zinc/65/40/34/551654034.db2.gz UIMBPAVFLYJKMA-MHZLTWQESA-N 1 0 530.579 5.003 40 0 KKABRO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)N(Cc1cccs1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000001375293 551656500 /nfs/dbraw/zinc/65/65/00/551656500.db2.gz LGOIBCOWUHKNGM-MHZLTWQESA-N 1 0 528.682 5.403 40 0 KKABRO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)N(Cc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000001375440 551656998 /nfs/dbraw/zinc/65/69/98/551656998.db2.gz RWLVVOXVIQFUFD-NDEPHWFRSA-N 1 0 522.653 5.342 40 0 KKABRO COc1ccc(CC2=[N+](C)CCc3cc(OCc4ccccc4)c(OC)cc32)cc1OCc1ccccc1 ZINC000001559575 551684253 /nfs/dbraw/zinc/68/42/53/551684253.db2.gz XAMUTLGMRDQHGF-UHFFFAOYSA-N 1 0 508.638 6.092 40 0 KKABRO Cc1cc(=O)oc2cc(NC(=O)[C@@H](CCCC[NH3+])NC(=O)[C@H](CC3CCCCC3)NC(=O)OCC3c4ccccc4-c4ccccc43)ccc12 ZINC000003973857 552424244 /nfs/dbraw/zinc/42/42/44/552424244.db2.gz IKNOZZKXIDSTRN-GPOMZPHUSA-N 1 0 678.830 6.531 40 0 KKABRO CN1c2ccc(Cl)cc2C(C)(C)/C1=C/C=C1CCCC(/C=C\C2=[N+](C)c3ccc(Cl)cc3C2(C)C)=C1Cl ZINC000004235332 552451496 /nfs/dbraw/zinc/45/14/96/552451496.db2.gz ACIYMTSOUNNNHA-UHFFFAOYSA-N 1 0 552.997 9.470 40 0 KKABRO CCCC[NH+](CCCC)CC[C@H](O)c1cc(-c2ccc(C(F)(F)F)cc2)nc(-c2ccc(C(F)(F)F)cc2)c1 ZINC000005390169 552500553 /nfs/dbraw/zinc/50/05/53/552500553.db2.gz UUYJAPDCVNIBPT-NDEPHWFRSA-N 1 0 552.603 8.779 40 0 KKABRO CC(C)CC[NH+](CCC(C)C)C[C@H](O)c1cc(-c2ccc(C(F)(F)F)cc2)nc(-c2ccc(C(F)(F)F)cc2)c1 ZINC000005390176 552500599 /nfs/dbraw/zinc/50/05/99/552500599.db2.gz KAHLMJHIWBNMTH-LJAQVGFWSA-N 1 0 566.630 8.881 40 0 KKABRO CC[NH+](CC)CCCN(C(=O)c1ccc(C(C)(C)C)cc1)c1nc(-c2cc(OC)ccc2OC)cs1 ZINC000006511261 552597254 /nfs/dbraw/zinc/59/72/54/552597254.db2.gz GEYHXAQXICTHEZ-UHFFFAOYSA-N 1 0 509.716 6.504 40 0 KKABRO CCCC[NH+](CCCC)C[C@@H](O)c1cc(-c2c(Cl)cccc2Cl)nc2c(Cl)cc(Cl)cc12 ZINC000008628695 553104745 /nfs/dbraw/zinc/10/47/45/553104745.db2.gz ANHMYECALZBCMQ-HSZRJFAPSA-N 1 0 514.324 8.451 40 0 KKABRO CCCC[NH+](CCCC)C[C@@H](N=O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2c(Cl)cc(Cl)cc12 ZINC000008659534 553108942 /nfs/dbraw/zinc/10/89/42/553108942.db2.gz QSGRNWBDMLJFAR-XMMPIXPASA-N 1 0 527.323 9.225 40 0 KKABRO O=C(Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000009062822 553205224 /nfs/dbraw/zinc/20/52/24/553205224.db2.gz HNYDSLWLXCKTHO-UHFFFAOYSA-N 1 0 518.466 5.645 40 0 KKABRO O=C(Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000009063239 553205253 /nfs/dbraw/zinc/20/52/53/553205253.db2.gz GFSXIEIFECHKLR-UHFFFAOYSA-N 1 0 502.011 5.131 40 0 KKABRO Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(C)c(Cl)c4)cc3)CC2)cc1 ZINC000009063154 553205262 /nfs/dbraw/zinc/20/52/62/553205262.db2.gz FSSDNPMJDPBOPH-UHFFFAOYSA-N 1 0 512.075 5.608 40 0 KKABRO O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000009063615 553205506 /nfs/dbraw/zinc/20/55/06/553205506.db2.gz RDYYIKQHDAZSOA-UHFFFAOYSA-N 1 0 502.011 5.131 40 0 KKABRO Cc1cc(OC[C@H](O)C[NH+]2CCC(CN3C(=O)c4cccc5cccc(c54)C3=O)CC2)ccc1C(C)C ZINC000012170465 553353214 /nfs/dbraw/zinc/35/32/14/553353214.db2.gz BHCJBRXBFJAPRF-XMMPIXPASA-N 1 0 500.639 5.020 40 0 KKABRO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1cc2ccc(C)c(C)c2[nH]c1=O)C1CCCCC1 ZINC000013065080 553444371 /nfs/dbraw/zinc/44/43/71/553444371.db2.gz YZAUBFJXFUWSIZ-HHHXNRCGSA-N 1 0 514.674 5.474 40 0 KKABRO CC[C@H](c1nnnn1CCc1ccccc1)N(Cc1ccc(F)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495049 553461052 /nfs/dbraw/zinc/46/10/52/553461052.db2.gz FRAJKYRRMSMZJK-MUUNZHRXSA-N 1 0 524.644 5.667 40 0 KKABRO CCOc1ccc2[nH]c(=O)c(CN(Cc3ccc(OC)cc3)[C@@H](CC)c3nnnn3C3CCCC3)cc2c1 ZINC000013495191 553461568 /nfs/dbraw/zinc/46/15/68/553461568.db2.gz XMXPYYPEALHERM-MHZLTWQESA-N 1 0 516.646 5.191 40 0 KKABRO CC(C)(C)c1ccc(-c2cc(C[C@H]3C[NH2+]CC[C@H]3CC(=O)N3CCN(Cc4ccccc4)CC3)no2)cc1 ZINC000015673711 553534075 /nfs/dbraw/zinc/53/40/75/553534075.db2.gz FNOFJYWKMXUJAD-SVBPBHIXSA-N 1 0 514.714 5.142 40 0 biogenic,in-vitro KKABRO COc1cc(C[NH2+]CCc2ccc(F)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000016195602 553556478 /nfs/dbraw/zinc/55/64/78/553556478.db2.gz ATWLWTFSGHZJGW-UHFFFAOYSA-N 1 0 513.234 6.815 40 0 KKABRO CCOc1cc(C[NH2+]Cc2ccc(F)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000016688553 553573070 /nfs/dbraw/zinc/57/30/70/553573070.db2.gz SUDKKWUTYQDIEA-UHFFFAOYSA-N 1 0 513.234 7.163 40 0 KKABRO CCOc1cc(C[NH2+]C2CCCCCC2)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000016688537 553573131 /nfs/dbraw/zinc/57/31/31/553573131.db2.gz LTUDUBOJXPILSR-UHFFFAOYSA-N 1 0 501.292 7.546 40 0 KKABRO CCOc1ccc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2C[C@H]2C[C@H]3c4cc(OC)c(OC)cc4CC[N@@H+]3C[C@H]2CC)cc1 ZINC000070670140 553600356 /nfs/dbraw/zinc/60/03/56/553600356.db2.gz KQLDASGMVSYSES-LPIFXMFSSA-N 1 0 628.810 6.895 40 0 KKABRO O=C(Nc1ccc(I)cc1)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000020241910 553626735 /nfs/dbraw/zinc/62/67/35/553626735.db2.gz QCPPUPMUQHCTFH-UHFFFAOYSA-N 1 0 510.419 5.998 40 0 KKABRO CCOC(=O)[C@@]12C[N@H+](C34CC5CC(CC(C5)C3)C4)C[C@@](C(=O)OCC)(C1=O)[C@@H](c1ccccc1)O[C@H]2c1ccccc1 ZINC000073280798 553652482 /nfs/dbraw/zinc/65/24/82/553652482.db2.gz JKJUPHVYTNXPOR-LHCJVKEASA-N 1 0 571.714 5.452 40 0 KKABRO CN(C)C(=O)C(CC[NH+]1CCC(O)(c2ccc(-c3ccc(Cl)cc3)cc2)CC1)(c1ccccc1)c1ccccc1 ZINC000077286473 553658383 /nfs/dbraw/zinc/65/83/83/553658383.db2.gz AYFNODUPEBZSRR-UHFFFAOYSA-N 1 0 553.146 6.755 40 0 in-vitro KKABRO Clc1ccc([C@H](C[n+]2ccn(Cc3ccc(Sc4ccccc4)cc3)c2)OCc2ccc(Sc3ccccc3)cc2)c(Cl)c1 ZINC000077312439 553663581 /nfs/dbraw/zinc/66/35/81/553663581.db2.gz BFGYAWZOHZAKSY-QNGWXLTQSA-N 1 0 654.708 10.391 40 0 in-vitro KKABRO CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C[NH+]4CCC(C)CC4)cc3)cc2)cc1 ZINC000020037869 553667936 /nfs/dbraw/zinc/66/79/36/553667936.db2.gz NYJSEQGQRPZZCF-UHFFFAOYSA-N 1 0 507.656 5.370 40 0 KKABRO COc1cc(OCc2ccccc2)ccc1OCC[NH2+]C[C@H](O)COc1cccc2[nH]c3ccccc3c21 ZINC000022051174 553723519 /nfs/dbraw/zinc/72/35/19/553723519.db2.gz WFGLUJVTGHMGCX-QHCPKHFHSA-N 1 0 512.606 5.317 40 0 in-vitro KKABRO COc1cc(C[NH2+][C@@H](C)C23CC4CC(CC(C4)C2)C3)cc(Br)c1OCc1ccc(F)cc1 ZINC000022073631 553725437 /nfs/dbraw/zinc/72/54/37/553725437.db2.gz YLLCZIUWISKQCH-SNWHFVAUSA-N 1 0 502.468 6.870 40 0 KKABRO COc1cc(C[NH2+][C@@H](C)C23CC4CC(CC(C4)C2)C3)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000022073683 553725477 /nfs/dbraw/zinc/72/54/77/553725477.db2.gz MWTMRDSWVWIYLG-ZCZKMIILSA-N 1 0 508.917 7.929 40 0 KKABRO CCOc1cc(C[NH2+]C2C3CC4CC(C3)CC2C4)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000022073804 553725710 /nfs/dbraw/zinc/72/57/10/553725710.db2.gz MCXYGSVXDDYWTL-UHFFFAOYSA-N 1 0 504.896 6.995 40 0 KKABRO CCOc1cc(C[NH2+]C(C)(C)CC(C)(C)C)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000022076270 553725787 /nfs/dbraw/zinc/72/57/87/553725787.db2.gz ZXCFHLIFMOYISZ-UHFFFAOYSA-N 1 0 517.335 8.038 40 0 KKABRO Clc1ccc(COc2ccccc2C[NH2+]CCCSc2nnnn2-c2ccccc2)c(Cl)c1 ZINC000022108755 553726101 /nfs/dbraw/zinc/72/61/01/553726101.db2.gz QITHEGFHPHHSBD-UHFFFAOYSA-N 1 0 500.455 5.820 40 0 KKABRO Clc1ccc(OCc2ccccc2Cl)c(C[NH2+]CCCSc2nnnn2-c2ccccc2)c1 ZINC000022108985 553726538 /nfs/dbraw/zinc/72/65/38/553726538.db2.gz YDZODGUIQGQUDC-UHFFFAOYSA-N 1 0 500.455 5.820 40 0 KKABRO FC(F)(F)c1ccc2c(c1)N(CCCN1CC[NH+](CCC3OCCCO3)CC1)c1ccccc1S2 ZINC000022463271 553742724 /nfs/dbraw/zinc/74/27/24/553742724.db2.gz GXCXYCOOYDMQOK-UHFFFAOYSA-N 1 0 507.622 5.469 40 0 in-man KKABRO COc1ccc(C(=O)[C@@H]([C@H](c2ccccc2)[N@@H+]2CCc3ccccc3C2)N2CCc3ccccc3C2)cc1 ZINC000022593920 553747925 /nfs/dbraw/zinc/74/79/25/553747925.db2.gz JKRLPKPFJZYJAE-JHOUSYSJSA-N 1 0 502.658 6.104 40 0 KKABRO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1ccc(-c2ccc(Br)cc2)o1 ZINC000022840638 553758620 /nfs/dbraw/zinc/75/86/20/553758620.db2.gz KXMRIQNQFIULRI-UHFFFAOYSA-N 1 0 516.439 6.284 40 0 KKABRO NC(=O)[C@@H]1C[N@H+](CCCCC(c2ccc(F)cc2)c2ccc(F)cc2)CCN1CC(=O)Nc1c(Cl)cc(N)cc1Cl ZINC000022851754 553760704 /nfs/dbraw/zinc/76/07/04/553760704.db2.gz IWMYIWLIESDFRZ-MHZLTWQESA-N 1 0 604.529 5.266 40 0 in-man KKABRO COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)cc2c1 ZINC000022869310 553764459 /nfs/dbraw/zinc/76/44/59/553764459.db2.gz OSGMYRCSWFOIEI-MGBGTMOVSA-N 1 0 589.744 5.525 40 0 KKABRO Cc1cc2cc([C@@H](c3nnnn3Cc3ccccc3)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c(=O)[nH]c2cc1C ZINC000022870202 553765241 /nfs/dbraw/zinc/76/52/41/553765241.db2.gz PRXITXGOVKKXHV-DHUJRADRSA-N 1 0 595.751 5.676 40 0 KKABRO Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)cc2c1 ZINC000022871687 553765519 /nfs/dbraw/zinc/76/55/19/553765519.db2.gz WVAHWUPOFBSAIR-XIFFEERXSA-N 1 0 573.745 5.825 40 0 KKABRO Cc1ccc2cc([C@H](c3nnnn3Cc3ccccc3)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c(=O)[nH]c2c1C ZINC000022872787 553766161 /nfs/dbraw/zinc/76/61/61/553766161.db2.gz AATVUTSIEGVYPD-PGUFJCEWSA-N 1 0 595.751 5.676 40 0 KKABRO CCOC(=O)c1c(NC(=O)CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)sc2c1CCCC2 ZINC000023253820 553771572 /nfs/dbraw/zinc/77/15/72/553771572.db2.gz POLMALVQJHLPQX-UHFFFAOYSA-N 1 0 517.695 5.149 40 0 KKABRO COC(=O)C1(C(=O)OC)[C@@H](c2ccccc2)[C@H](C(=O)c2ccc(Cl)cc2Cl)[N@@H+]2C=Cc3ccccc3[C@@H]21 ZINC000097956264 553837400 /nfs/dbraw/zinc/83/74/00/553837400.db2.gz XZLDJIMNFYMIEX-BFLUCZKCSA-N 1 0 536.411 5.702 40 0 KKABRO Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccccc1C[C@@H]1c2ccccc2CC[N@H+]1C ZINC000028129063 553837892 /nfs/dbraw/zinc/83/78/92/553837892.db2.gz JDWTZBFJMIQXFA-XMMPIXPASA-N 1 0 506.433 6.981 40 0 KKABRO COc1cc2c3c(c1O)-c1cc(OC)c(Oc4c(C[C@@H]5c6cc(OC)c(OC)cc6CC[N@H+]5C)ccc(OC)c4OC)cc1C[C@@H]3CN(C)C2 ZINC000033354441 553929756 /nfs/dbraw/zinc/92/97/56/553929756.db2.gz GBCVQFRXHFMNCA-VAVYLYDRSA-N 1 0 682.814 6.760 40 0 KKABRO Cc1[nH]c(/C=C2/C(=O)Nc3ccc(S(=O)(=O)Cc4c(Cl)cccc4Cl)cc32)c(C)c1C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000033359844 553957346 /nfs/dbraw/zinc/95/73/46/553957346.db2.gz OYONTEXKYJZFHA-KCOUNZPASA-N 1 0 641.621 6.105 40 0 in-vitro KKABRO CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(C)C4=C[C@H](OC(=O)CC[NH+]5CCCCC5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000035363829 554044774 /nfs/dbraw/zinc/04/47/74/554044774.db2.gz CYIQITBIFVVIGC-DWRLGOQSSA-N 1 0 525.730 5.794 40 0 KKABRO Cc1c2cc3c(cc2oc(=O)c1CC(=O)N1CCCC2=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]21)OC(C)(C)CC3 ZINC000036558940 554225606 /nfs/dbraw/zinc/22/56/06/554225606.db2.gz NFHDIZRXBNYWEX-RCLWPAGBSA-N 1 0 516.682 5.169 40 0 KKABRO O=C(/C=C/c1ccccc1)OC[C@H](OC(=O)/C=C/c1ccccc1)[C@H](Cc1ccccc1)[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000100238411 554259460 /nfs/dbraw/zinc/25/94/60/554259460.db2.gz XMSYUWFGEHVZLP-MIGFINTJSA-N 1 0 621.777 8.182 40 0 KKABRO CC[NH+]1CCN(Cc2ccc(NC(=O)c3ccc(C)c(NC(=O)c4cncc(-c5cccs5)c4)c3)cc2C(F)(F)F)CC1 ZINC000042966573 554297082 /nfs/dbraw/zinc/29/70/82/554297082.db2.gz HYWXBDQAYLPMIX-UHFFFAOYSA-N 1 0 607.702 6.779 40 0 KKABRO Cc1nn(-c2ccccc2)c2sc(C(=O)N(CCC[NH+](C)C)c3nc(CC(=O)Nc4ccc(Cl)cc4)cs3)cc12 ZINC000100314752 554302447 /nfs/dbraw/zinc/30/24/47/554302447.db2.gz YQTLYYVZILYHGV-UHFFFAOYSA-N 1 0 593.178 6.285 40 0 KKABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c2ccc(Cl)cc2)cc1 ZINC000044873653 554306701 /nfs/dbraw/zinc/30/67/01/554306701.db2.gz RAEINTXKTAOIHU-UHFFFAOYSA-N 1 0 526.102 5.146 40 0 KKABRO Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3ccc(C[NH+]4CCCCC4)cc3)ccc2C)cc1C ZINC000044874268 554307020 /nfs/dbraw/zinc/30/70/20/554307020.db2.gz WIGQKGNEKUBRRK-UHFFFAOYSA-N 1 0 505.684 5.329 40 0 KKABRO CCOc1ccc2[nH]c(=O)c(CN(CCc3cccc(C)c3)[C@H](CC)c3nnnn3Cc3ccccc3)cc2c1 ZINC000100377162 554360250 /nfs/dbraw/zinc/36/02/50/554360250.db2.gz LXRLRUJFNDMCJF-SSEXGKCCSA-N 1 0 536.680 5.466 40 0 KKABRO CC[C@H](c1nnnn1C1CCCCC1)N(CCc1ccc(OC)c(OC)c1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000100377308 554360257 /nfs/dbraw/zinc/36/02/57/554360257.db2.gz NVULXOVURCQQSK-HHHXNRCGSA-N 1 0 544.700 5.541 40 0 KKABRO CC[C@@H](c1nnnn1C1CCCCC1)N(CCc1ccc(OC)c(OC)c1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000100377302 554360265 /nfs/dbraw/zinc/36/02/65/554360265.db2.gz NVULXOVURCQQSK-MHZLTWQESA-N 1 0 544.700 5.541 40 0 KKABRO Cc1ncc(C(=O)N(C)C)c([C@H]2CC[C@H](C[NH+](CCOc3ccccc3)CCOc3ccccc3)CC2)n1 ZINC000100492668 554402989 /nfs/dbraw/zinc/40/29/89/554402989.db2.gz DCNYDGLLDWVGKB-WMPKNSHKSA-N 1 0 516.686 5.221 40 0 KKABRO CC(C)c1ccc(C[NH+]2CCc3nc4cc([C@@H]5CCC[N@@H+](Cc6ccc(C(C)C)cc6)C5)[n-]n4c(=O)c3C2)cc1 ZINC000100493051 554403541 /nfs/dbraw/zinc/40/35/41/554403541.db2.gz OQXAFGFVOOAPSX-GDLZYMKVSA-N 1 0 537.752 6.620 40 0 KKABRO O=C(Nc1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000059883421 554460285 /nfs/dbraw/zinc/46/02/85/554460285.db2.gz NCOPWEBPCDALDG-UHFFFAOYSA-N 1 0 547.680 6.451 40 0 KKABRO Cc1sc(NC(=O)c2ccco2)c([C@@H](c2ccc(OC(F)F)cc2)[NH+]2CCC(Cc3ccccc3)CC2)c1C ZINC000100931008 554527230 /nfs/dbraw/zinc/52/72/30/554527230.db2.gz COODANBIGUCZRQ-MUUNZHRXSA-N 1 0 550.671 7.856 40 0 KKABRO Cc1c(Br)cc2c(c1Br)OC[C@@](C[NH+]1CCCC1)(Sc1ccc(Cl)cc1)C2=O ZINC000100959189 554541835 /nfs/dbraw/zinc/54/18/35/554541835.db2.gz AASWSEZXDHTOEA-OAQYLSRUSA-N 1 0 545.724 6.375 40 0 KKABRO Cc1cccc(-n2cc(-c3ccccc3)c3c2ncnc3N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000100994375 554550590 /nfs/dbraw/zinc/55/05/90/554550590.db2.gz YVNQOVOYVTUUHK-UHFFFAOYSA-N 1 0 535.695 7.308 40 0 KKABRO C=C[C@]1(C)C[C@@H](OC(=O)CS[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)[C@]2(C)[C@@H]3C(=O)CC[C@]3(CC[C@H]2C)[C@@H](C)[C@@H]1O ZINC000101773934 554837673 /nfs/dbraw/zinc/83/76/73/554837673.db2.gz STZYTFJPGGDRJD-NDNUOLERSA-N 1 0 517.776 5.251 40 0 KKABRO CCOc1cc(C[NH2+]CCSc2nnnn2-c2ccccc2)cc(Br)c1OCc1ccc(F)cc1 ZINC000102559329 554966516 /nfs/dbraw/zinc/96/65/16/554966516.db2.gz CWACYXLHPQLXMA-UHFFFAOYSA-N 1 0 558.477 5.424 40 0 KKABRO CCOc1cc(C[NH2+]CCSc2nnnn2-c2ccccc2)cc(Br)c1OCc1ccccc1 ZINC000102559366 554966923 /nfs/dbraw/zinc/96/69/23/554966923.db2.gz ARIJNVYYRWTNSN-UHFFFAOYSA-N 1 0 540.487 5.284 40 0 KKABRO CC[NH+](CC)CCN(S(=O)(=O)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000103418451 555398360 /nfs/dbraw/zinc/39/83/60/555398360.db2.gz WPCUSWJTOVTLFC-UHFFFAOYSA-N 1 0 534.314 5.022 40 0 KKABRO COc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccccc3)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000103513369 555422737 /nfs/dbraw/zinc/42/27/37/555422737.db2.gz XHJJEFWCVZUQMD-GGVMLGSCSA-N 1 0 526.592 5.677 40 0 KKABRO COc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccccc3Cl)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN23)cc1 ZINC000103536455 555435850 /nfs/dbraw/zinc/43/58/50/555435850.db2.gz HQINTFJHPQGABW-GCZHVTBPSA-N 1 0 561.037 6.330 40 0 KKABRO CCOc1cc(C[NH2+][C@H](C)C23CC4CC(CC(C4)C2)C3)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000103588612 555452103 /nfs/dbraw/zinc/45/21/03/555452103.db2.gz JMXWRTUCIXIZIO-LREROPASSA-N 1 0 567.395 8.428 40 0 KKABRO COc1cc(C[NH2+][C@@H](C)C23CC4CC(CC(C4)C2)C3)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000103588473 555452113 /nfs/dbraw/zinc/45/21/13/555452113.db2.gz NRBSDDZOMVPAIJ-ZCZKMIILSA-N 1 0 553.368 8.038 40 0 KKABRO CC(C)c1ccc(NC(=O)OC[C@H]2C[C@@H]3CC[N@@H+]2C[C@@H]3c2cc(C3CCCC3)nc(-c3ccncc3)n2)cc1 ZINC000008623400 560209927 /nfs/dbraw/zinc/20/99/27/560209927.db2.gz WNJFKHPSQUWUDO-ITHJLQSDSA-N 1 0 525.697 6.746 40 0 biogenic,in-vitro KKABRO CC[C@@]12C=CCN3CCc4c5ccccc5n(c4[C@@H]31)C(COC(=O)c1cc(OC)c(OC)c(OC)c1)=C2 ZINC000072266239 562732990 /nfs/dbraw/zinc/73/29/90/562732990.db2.gz YBXKKOCGWBHEBM-DGPALRBDSA-N 1 0 500.595 5.244 40 0 in-man KKABRO CCCOc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc(Cl)cc3Cl)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000103288041 571361414 /nfs/dbraw/zinc/36/14/14/571361414.db2.gz QYTFWAQAXDFUST-XKEBTDTJSA-N 1 0 623.536 7.764 40 0 KKABRO O=C(NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1sc2cc(Cl)ccc2c1Cl ZINC000105318485 571400946 /nfs/dbraw/zinc/40/09/46/571400946.db2.gz WINIMRMNZBIVGJ-UHFFFAOYSA-N 1 0 555.556 6.657 40 0 KKABRO COc1cc(C[NH2+]CCCSc2nnnn2C)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000105346861 571403458 /nfs/dbraw/zinc/40/34/58/571403458.db2.gz ZFJMMRMCSOOCLK-UHFFFAOYSA-N 1 0 547.306 5.139 40 0 KKABRO CC[NH+](CC)CCC[C@@H](C)Nc1nc(/C=C/c2ccc(Br)c(Br)c2)nc2c(Cl)cccc12 ZINC000108081085 571422252 /nfs/dbraw/zinc/42/22/52/571422252.db2.gz VDGQWJGAXMBRNO-ABDJAZHISA-N 1 0 580.796 7.901 40 0 KKABRO Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(S(=O)(=O)Nc4cc(Cl)cc(Cl)c4)cc3)CC2)cc1 ZINC000108510666 571425941 /nfs/dbraw/zinc/42/59/41/571425941.db2.gz XSQNSSPTEKTBGH-UHFFFAOYSA-N 1 0 532.493 5.953 40 0 KKABRO CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H]([NH+]4CCCCC4)C=C4C[C@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000123241006 571448375 /nfs/dbraw/zinc/44/83/75/571448375.db2.gz XSWCEFIPJIPPPW-CZMQSFDCSA-N 1 0 573.906 9.718 40 0 KKABRO CS(=O)(=O)N(Cc1ccc(C(=O)NCc2ccccc2-n2ccnc2)cc1)c1cccc(Cl)c1Cl ZINC000139720073 571453753 /nfs/dbraw/zinc/45/37/53/571453753.db2.gz DKQHWUMDLPDNDK-UHFFFAOYSA-N 1 0 529.449 5.075 40 0 KKABRO O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000139877437 571454175 /nfs/dbraw/zinc/45/41/75/571454175.db2.gz NNIGKIIRNGCTMT-UHFFFAOYSA-N 1 0 546.520 5.491 40 0 KKABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c2ccc(C)c(Cl)c2)cc1 ZINC000139873035 571454206 /nfs/dbraw/zinc/45/42/06/571454206.db2.gz KAKRCUOWJYMDNH-UHFFFAOYSA-N 1 0 540.129 5.454 40 0 KKABRO COCCCc1sc(-c2ccccc2)nc1C(=O)Nc1ccccc1-c1nc2cc(C[NH+]3CCCC3)cnc2s1 ZINC000142166191 571456094 /nfs/dbraw/zinc/45/60/94/571456094.db2.gz MRRXPMZNBRXCPZ-UHFFFAOYSA-N 1 0 569.756 6.909 40 0 KKABRO COc1ccc(N(C(=O)Nc2c(C)cccc2C)c2cc(Nc3ccc(N4CC[NH+](C)CC4)cc3)ncn2)c(OC)c1 ZINC000147474927 571456750 /nfs/dbraw/zinc/45/67/50/571456750.db2.gz UYUHRKLITDJEHB-UHFFFAOYSA-N 1 0 567.694 5.976 40 0 in-vitro KKABRO CCOC(=O)[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)[C@@H]([NH3+])CSC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000150383497 571467832 /nfs/dbraw/zinc/46/78/32/571467832.db2.gz XWNRMXHHRSBHSW-COCZKOEFSA-N 1 0 737.003 8.812 40 0 KKABRO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1CCC[NH+]1CCOCC1 ZINC000224460947 571551202 /nfs/dbraw/zinc/55/12/02/571551202.db2.gz AWTVKXLJCPQKHF-CLJLJLNGSA-N 1 0 510.107 5.053 40 0 KKABRO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1CCC[NH+]1CCOCC1 ZINC000224460997 571551226 /nfs/dbraw/zinc/55/12/26/571551226.db2.gz AWTVKXLJCPQKHF-FTJBHMTQSA-N 1 0 510.107 5.053 40 0 KKABRO O=c1sc2cc(S(=O)(=O)NCc3ccc(C[NH+]4CCCCC4)cc3)ccc2n1Cc1ccccc1Cl ZINC000224540668 571570119 /nfs/dbraw/zinc/57/01/19/571570119.db2.gz LZRKVUJZRPXDRV-UHFFFAOYSA-N 1 0 542.126 5.229 40 0 KKABRO O=C(CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224595457 571582795 /nfs/dbraw/zinc/58/27/95/571582795.db2.gz NHDCAYTXTAVRQP-UHFFFAOYSA-N 1 0 532.493 5.101 40 0 KKABRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1ccc([C@@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000224613968 571586865 /nfs/dbraw/zinc/58/68/65/571586865.db2.gz MCEQFJYEROPOAK-LJAQVGFWSA-N 1 0 520.098 5.640 40 0 KKABRO O=C(CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224650203 571595129 /nfs/dbraw/zinc/59/51/29/571595129.db2.gz DMBOVNPKMSTZFT-UHFFFAOYSA-N 1 0 546.520 5.491 40 0 KKABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2cccc(C[NH+]3CCCCC3)c2)c2cc(C)cc(C)c2)cc1 ZINC000224650847 571595322 /nfs/dbraw/zinc/59/53/22/571595322.db2.gz LLHVKTZVGNGIJZ-UHFFFAOYSA-N 1 0 519.711 5.109 40 0 KKABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2cccc(C[NH+]3CCCCC3)c2)c2ccccc2Cl)cc1 ZINC000224651126 571595478 /nfs/dbraw/zinc/59/54/78/571595478.db2.gz AHSGSPGVRRIPJB-UHFFFAOYSA-N 1 0 526.102 5.146 40 0 KKABRO Cc1ccccc1Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cc[nH+]cc2)cc1 ZINC000224662249 571598102 /nfs/dbraw/zinc/59/81/02/571598102.db2.gz ZHACZWCHHVRFPQ-URLMMPGGSA-N 1 0 503.631 6.545 40 0 KKABRO CN(c1ccc(C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224662033 571598106 /nfs/dbraw/zinc/59/81/06/571598106.db2.gz RQNZDAKPUSPKAF-UHFFFAOYSA-N 1 0 512.075 5.081 40 0 KKABRO CS(=O)(=O)N(Cc1c(Cl)cccc1Cl)c1ccc(C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000224667702 571599142 /nfs/dbraw/zinc/59/91/42/571599142.db2.gz YVWBXHPWZPQFES-UHFFFAOYSA-N 1 0 560.547 5.876 40 0 KKABRO O=C(NCc1cccc(C[NH+]2CCCCC2)c1)c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000224670075 571599525 /nfs/dbraw/zinc/59/95/25/571599525.db2.gz CETYRIDEYHOADU-SSEXGKCCSA-N 1 0 534.125 6.030 40 0 KKABRO COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cc[nH+]cc2)cc1Cl ZINC000224043366 571600817 /nfs/dbraw/zinc/60/08/17/571600817.db2.gz REDLYJAMORHECM-JWQCQUIFSA-N 1 0 506.031 5.123 40 0 KKABRO Cc1ccc(S[C@]2(C[N@H+]3CCC[C@@H](C)C3)COc3c(Br)cc(Br)cc3C2=O)cc1 ZINC000221892081 571604460 /nfs/dbraw/zinc/60/44/60/571604460.db2.gz SAZHBSVEMUSHAZ-WAIKUNEKSA-N 1 0 539.333 6.358 40 0 KKABRO O=C(CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)NCc1ccccc1C[NH+]1CCCC1 ZINC000224761925 571614710 /nfs/dbraw/zinc/61/47/10/571614710.db2.gz SABKIORTBOPXGR-UHFFFAOYSA-N 1 0 566.045 5.466 40 0 KKABRO O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)NCc1ccccc1C[NH+]1CCCC1 ZINC000224761793 571614750 /nfs/dbraw/zinc/61/47/50/571614750.db2.gz PHJKXYOCBQKNAK-UHFFFAOYSA-N 1 0 532.493 5.101 40 0 KKABRO CS(=O)(=O)N(Cc1c(Cl)cccc1Cl)c1ccc(C(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000224776812 571616056 /nfs/dbraw/zinc/61/60/56/571616056.db2.gz YUNAFRLVVAUJKR-UHFFFAOYSA-N 1 0 546.520 5.485 40 0 KKABRO CC(C)c1ccc(N(CC(=O)NCc2ccccc2C[NH+]2CCCCC2)S(=O)(=O)c2ccccc2)cc1 ZINC000224808856 571619081 /nfs/dbraw/zinc/61/90/81/571619081.db2.gz DRBHYFSTCCYWNR-UHFFFAOYSA-N 1 0 519.711 5.308 40 0 KKABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2C[NH+]2CCCCC2)c2cc(Cl)ccc2C)cc1 ZINC000224812889 571619503 /nfs/dbraw/zinc/61/95/03/571619503.db2.gz YOFHWRHDHAHSGF-UHFFFAOYSA-N 1 0 540.129 5.454 40 0 KKABRO CCOc1ccc(N(CC(=O)NCc2ccccc2C[NH+]2CCCCC2)S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000224817691 571619954 /nfs/dbraw/zinc/61/99/54/571619954.db2.gz VINUPSDYGXWQLE-UHFFFAOYSA-N 1 0 600.579 5.345 40 0 KKABRO Cc1ccc(N(Cc2ccc(C(=O)NCc3ccccc3C[NH+]3CCCCC3)cc2)S(C)(=O)=O)cc1C ZINC000224818496 571619984 /nfs/dbraw/zinc/61/99/84/571619984.db2.gz RQQRRCQFXNYXKP-UHFFFAOYSA-N 1 0 519.711 5.186 40 0 KKABRO CCOc1ccccc1N(CC(=O)NCc1ccccc1C[NH+]1CCCCC1)S(=O)(=O)c1ccc(SC)cc1 ZINC000224821504 571620256 /nfs/dbraw/zinc/62/02/56/571620256.db2.gz DQZOKLGRAJSDDE-UHFFFAOYSA-N 1 0 567.777 5.305 40 0 KKABRO CS(=O)(=O)N(Cc1ccc(C(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1)c1cccc(Cl)c1 ZINC000224825812 571620763 /nfs/dbraw/zinc/62/07/63/571620763.db2.gz HXOUEQWTPXUEKL-UHFFFAOYSA-N 1 0 526.102 5.222 40 0 KKABRO O=C(CN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccccc1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000224833196 571621560 /nfs/dbraw/zinc/62/15/60/571621560.db2.gz HAKGOPWWQHJRHI-UHFFFAOYSA-N 1 0 569.727 5.977 40 0 KKABRO Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCc3ccccc3C[NH+]3CCCCC3)Oc3ccc(C(C)(C)C)cc32)cc1 ZINC000224838835 571622156 /nfs/dbraw/zinc/62/21/56/571622156.db2.gz SBHDZRUICTVGID-HKBQPEDESA-N 1 0 575.775 5.551 40 0 KKABRO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1CCC[NH+]1CCOCC1 ZINC000224925476 571630626 /nfs/dbraw/zinc/63/06/26/571630626.db2.gz AESZIJNOEBTGKJ-SXOMAYOGSA-N 1 0 568.585 5.470 40 0 KKABRO COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(CCC[NH+]3CCOCC3)c2C)ccc1NC(=O)C(C)(C)C ZINC000225098575 571647019 /nfs/dbraw/zinc/64/70/19/571647019.db2.gz GDSIZFRUGILODP-XZWHSSHBSA-N 1 0 604.821 5.393 40 0 KKABRO COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(CCC[NH+]3CCOCC3)c2C)ccc1NC(=O)C(C)(C)C ZINC000225098542 571647024 /nfs/dbraw/zinc/64/70/24/571647024.db2.gz GDSIZFRUGILODP-IHLOFXLRSA-N 1 0 604.821 5.393 40 0 KKABRO CC(C)C(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cc[nH+]cc2)cc1Cl ZINC000225123881 571649691 /nfs/dbraw/zinc/64/96/91/571649691.db2.gz VMVVDIOBPUUHGC-JWQCQUIFSA-N 1 0 517.058 5.692 40 0 KKABRO COc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCc3cccc(C[NH+]4CCCCC4)c3)Oc3ccc(C(C)(C)C)cc32)cc1 ZINC000260899691 571819785 /nfs/dbraw/zinc/81/97/85/571819785.db2.gz PMFXWSXARIMWOG-WJOKGBTCSA-N 1 0 591.774 5.251 40 0 KKABRO C[C@H]1C[C@H](C)C[NH+](CCOc2ccc(NC(=O)C3(c4ccc(Cl)cc4Cl)CCOCC3)cc2)C1 ZINC000225582320 571941631 /nfs/dbraw/zinc/94/16/31/571941631.db2.gz VWLCVABILZIPNV-PMACEKPBSA-N 1 0 505.486 6.037 40 0 KKABRO O=C(CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cc[nH+]cc1)Nc1cccc2ccccc21 ZINC000225700338 572031576 /nfs/dbraw/zinc/03/15/76/572031576.db2.gz VTHPMDOVGLXBEO-WDYNHAJCSA-N 1 0 518.646 5.422 40 0 KKABRO Cc1cc(OC(F)(F)F)ccc1Nc1cc(-c2cccc(OC(F)(F)F)c2)nc(NCCC[NH+](C)C)n1 ZINC000328998545 572147919 /nfs/dbraw/zinc/14/79/19/572147919.db2.gz JSNMTSAKVURGHG-UHFFFAOYSA-N 1 0 529.485 6.356 40 0 KKABRO Cc1ccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NCCC[NH+](C)C)n2)cc1C(F)(F)F ZINC000328984119 572148114 /nfs/dbraw/zinc/14/81/14/572148114.db2.gz HLLKLXWHDWSAFW-UHFFFAOYSA-N 1 0 513.486 5.320 40 0 KKABRO C[NH+](C)CCNc1nc(Nc2c(Cl)cccc2C(F)(F)F)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329066974 572151321 /nfs/dbraw/zinc/15/13/21/572151321.db2.gz YFIZQYCZFOMEGV-UHFFFAOYSA-N 1 0 519.877 5.275 40 0 KKABRO C[NH+](C)CCNc1nc(Nc2ccc(C(F)(F)F)cc2Br)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329061833 572151485 /nfs/dbraw/zinc/15/14/85/572151485.db2.gz WUTSCDYZLSIUNG-UHFFFAOYSA-N 1 0 564.328 5.384 40 0 KKABRO Cc1cc(Br)ccc1Nc1cc(-c2cccc(OC(F)(F)F)c2)nc(NCC[NH+](C)C)n1 ZINC000329070370 572152003 /nfs/dbraw/zinc/15/20/03/572152003.db2.gz ZGTJJBADJYVYDO-UHFFFAOYSA-N 1 0 510.358 5.830 40 0 KKABRO O=C(C(c1ccccc1)c1ccccc1)N1CCCC[C@H]2C[N@H+](Cc3ccc(N4CCCC4=O)cc3)C[C@H]21 ZINC000257201228 572306374 /nfs/dbraw/zinc/30/63/74/572306374.db2.gz AGULWNCZOLKOCY-MFMCTBQISA-N 1 0 507.678 5.458 40 0 KKABRO CCCc1ccc(C[N@@H+]2CCC[C@@](COc3ccc(Cl)c(C)c3)(CC(=O)N(C)Cc3ccccc3)C2)o1 ZINC000257202381 572306596 /nfs/dbraw/zinc/30/65/96/572306596.db2.gz ALMUFXNRPJCRIW-WJOKGBTCSA-N 1 0 523.117 6.904 40 0 KKABRO CC(C)(C)n1ccc([C@@H]2C[C@@H](C(=O)NC34CC5(C)CC(C)(CC(C)(C5)C3)C4)[NH2+][C@H]2c2ccc(C(F)(F)F)cc2)n1 ZINC000257211678 572307388 /nfs/dbraw/zinc/30/73/88/572307388.db2.gz BZXCAMCGPOITLS-MSXWYTQKSA-N 1 0 556.717 7.099 40 0 KKABRO CC(C)(C)n1ccc([C@@H]2C[C@@H](C(=O)Nc3cccc(C(F)(F)F)c3)[NH2+][C@H]2c2ccc(C(F)(F)F)cc2)n1 ZINC000257215137 572307737 /nfs/dbraw/zinc/30/77/37/572307737.db2.gz COWIMGXKSQAGFV-BVSLBCMMSA-N 1 0 524.509 6.501 40 0 KKABRO CN(CC12CC3CC(CC(C3)C1)C2)C(=O)[C@@H]1C[C@@H](c2ccn(C(C)(C)C)n2)[C@H](c2ccc(C(F)(F)F)cc2)[NH2+]1 ZINC000257234988 572309753 /nfs/dbraw/zinc/30/97/53/572309753.db2.gz GVWSINYUXFOCGR-IVNZUDBASA-N 1 0 542.690 6.519 40 0 KKABRO C[C@H]1CC[C@H]2[C@H](O1)c1cc(OCc3ccccc3)c(CNc3cccc(OCC[NH+](C)C)c3)cc1OC2(C)C ZINC000257264101 572312293 /nfs/dbraw/zinc/31/22/93/572312293.db2.gz LSYATIQRRUIXQM-MWYIXNDJSA-N 1 0 530.709 6.845 40 0 KKABRO CN1CC[NH+](Cc2ccc(-c3cn(C(=O)OC(C)(C)C)nc3[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)cc2)CC1 ZINC000257274963 572313410 /nfs/dbraw/zinc/31/34/10/572313410.db2.gz NNKNZUCLWGKTJA-XMMPIXPASA-N 1 0 539.721 5.195 40 0 KKABRO CC(C)(C)n1ccc([C@H]2C[C@@H](C(=O)Nc3ccc(OC(F)F)cc3)[NH2+][C@H]2c2cccc(C(F)(F)F)c2)n1 ZINC000257282403 572314120 /nfs/dbraw/zinc/31/41/20/572314120.db2.gz OTPSHFLKUFBHQV-HJNYFJLDSA-N 1 0 522.518 6.084 40 0 KKABRO CC(C)(C)n1ccc([C@@H]2C[C@@H](C(=O)Nc3ccc(OC(F)(F)F)cc3)[NH2+][C@H]2c2cccc(C(F)(F)F)c2)n1 ZINC000257286118 572314526 /nfs/dbraw/zinc/31/45/26/572314526.db2.gz PKJHEFQXCATXHB-BVSLBCMMSA-N 1 0 540.508 6.381 40 0 KKABRO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@H+](CCc2c[nH]c3ccccc23)Cc2cccc(C(F)(F)F)c2)C1 ZINC000257298570 572315580 /nfs/dbraw/zinc/31/55/80/572315580.db2.gz RMHYJNGANCBYFL-VSGBNLITSA-N 1 0 537.582 5.613 40 0 KKABRO CC(C)(C)n1ccc([C@H]2C[C@@H](C(=O)NC34CC5CC(CC(C5)C3)C4)[NH2+][C@H]2c2cccc(C(F)(F)F)c2)n1 ZINC000257305144 572316353 /nfs/dbraw/zinc/31/63/53/572316353.db2.gz SOQJSKLFWLATCB-HCBLDIDUSA-N 1 0 514.636 5.929 40 0 KKABRO CN(Cc1ccccc1)C(=O)C[C@]1(COc2cccc(Cl)c2)CCCN(C(=O)C[N@H+](C)C2CCCC2)C1 ZINC000257309103 572316725 /nfs/dbraw/zinc/31/67/25/572316725.db2.gz TZNNAIIEWQHZTM-SSEXGKCCSA-N 1 0 526.121 5.251 40 0 KKABRO CC1CC[NH+](CC(=O)N2CCC(COc3cccc(Cl)c3)(CC(=O)N3CCc4ccccc4C3)CC2)CC1 ZINC000257329776 572318760 /nfs/dbraw/zinc/31/87/60/572318760.db2.gz XLMQSCCCGXGIDB-UHFFFAOYSA-N 1 0 538.132 5.035 40 0 KKABRO CC(C)Cc1ccc([C@H](C)C(=O)N2CCCC[C@H]3C[N@H+](Cc4ccc(N5CCCC5=O)cc4)C[C@H]32)cc1 ZINC000257334960 572319279 /nfs/dbraw/zinc/31/92/79/572319279.db2.gz YIACRBQVSTZHQO-QGUTYXHZSA-N 1 0 501.715 5.629 40 0 KKABRO Cc1cnn(C)c1C[N@H+]1CCC[C@@](COc2ccc(Cl)c(C)c2)(CC(=O)N(C)Cc2ccccc2)C1 ZINC000257334597 572319311 /nfs/dbraw/zinc/31/93/11/572319311.db2.gz YGQAUGUOOZJWPM-GDLZYMKVSA-N 1 0 509.094 5.400 40 0 KKABRO Cc1cc(OC[C@]2(CC(=O)N(C)Cc3ccccc3)CCC[N@@H+](Cc3cccn3C(C)C)C2)ccc1Cl ZINC000257334438 572319343 /nfs/dbraw/zinc/31/93/43/572319343.db2.gz YFWGMKXIDXZIHX-HKBQPEDESA-N 1 0 522.133 6.741 40 0 KKABRO CCCCn1cc(C[N@@H+]2CCC[C@](COc3ccc(Cl)c(C)c3)(CC(=O)N(C)Cc3ccccc3)C2)c(C)n1 ZINC000257343502 572320234 /nfs/dbraw/zinc/32/02/34/572320234.db2.gz ZTGZRJVRXQNHDG-YTTGMZPUSA-N 1 0 551.175 6.663 40 0 KKABRO COc1ccc2cc1Oc1ccc(cc1)C[C@H]1[NH2+]CCc3cc(OC)c(cc31)Oc1c(OC)c(OC)c(OC)c3c1[C@@H](C2)[N@H+](C)CC3 ZINC000257453118 572322476 /nfs/dbraw/zinc/32/24/76/572322476.db2.gz JFOOZQIJNIJCOW-FQLXRVMXSA-N 1 0 638.761 6.829 40 0 KKABRO CCOC(=O)C1CCN(C(=O)CCC(=O)Nc2ccc(N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)cc2)CC1 ZINC000107656843 1069716042 /nfs/dbraw/zinc/71/60/42/1069716042.db2.gz BTJACEYVDAYATG-UHFFFAOYSA-N 1 0 582.745 5.119 40 0 KKABRO Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1 ZINC000408710413 1069734878 /nfs/dbraw/zinc/73/48/78/1069734878.db2.gz QECFUQJOAXFTAL-UHFFFAOYSA-N 1 0 532.493 5.953 40 0 KKABRO COc1ccc(C[N@@H+]2CCC[C@@](O)(COc3ccc(Cl)c(Cl)c3)CC2)cc1OCCn1cccn1 ZINC000585270668 1071018483 /nfs/dbraw/zinc/01/84/83/1071018483.db2.gz HWUVWHCMZKOYTH-SANMLTNESA-N 1 0 520.457 5.074 40 0 KKABRO CCc1nccn1CCCOc1ccc(C[N@@H+]2CCC[C@](O)(COc3cc(C)c(Cl)c(C)c3)C2)cc1OC ZINC000585270206 1071021440 /nfs/dbraw/zinc/02/14/40/1071021440.db2.gz CVXPFORPOPYFMU-SSEXGKCCSA-N 1 0 542.120 5.599 40 0 KKABRO CCc1nccn1CCCOc1ccc(C[NH+]2CCC(COc3ccc(C)cc3C)(OC)CC2)cc1OC ZINC000585271883 1071025937 /nfs/dbraw/zinc/02/59/37/1071025937.db2.gz PQTAHJTURJNXKF-UHFFFAOYSA-N 1 0 521.702 5.600 40 0 KKABRO Cc1nccn1CCCOc1ccc(C[N@@H+]2CCC[C@@](O)(COc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000585271816 1071023410 /nfs/dbraw/zinc/02/34/10/1071023410.db2.gz CWFGNSTWTGKUJI-MHZLTWQESA-N 1 0 518.485 5.763 40 0 KKABRO COc1ccc(C[NH+]2CCC(COc3ccc(Cl)c(Cl)c3)(OC)CC2)cc1OCCn1cc(C)cn1 ZINC000585271170 1071025021 /nfs/dbraw/zinc/02/50/21/1071025021.db2.gz KVAWEGVLINZZBZ-UHFFFAOYSA-N 1 0 534.484 5.646 40 0 KKABRO COc1cc(C[NH+]2CCC(COc3cccc(Cl)c3)(OC)CC2)ccc1OCCCn1ccnc1 ZINC000585271149 1071025452 /nfs/dbraw/zinc/02/54/52/1071025452.db2.gz KIEGLBCMUSWSRB-UHFFFAOYSA-N 1 0 500.039 5.074 40 0 KKABRO CCc1nccn1CCCOc1cc(C[NH+]2CCC(O)(COc3ccc(Cl)c(Cl)c3)CC2)ccc1OC ZINC000585272764 1071026781 /nfs/dbraw/zinc/02/67/81/1071026781.db2.gz WNANNCLNSMCSBJ-UHFFFAOYSA-N 1 0 548.511 5.636 40 0 KKABRO Cc1cc(OC[C@]2(O)CCC[N@@H+](Cc3ccc(OCCn4c5ccccc5n(C)c4=O)cc3)C2)cc(C)c1Cl ZINC000585272759 1071026895 /nfs/dbraw/zinc/02/68/95/1071026895.db2.gz JLRIQUKEOJPNTE-HKBQPEDESA-N 1 0 550.099 5.095 40 0 KKABRO CCc1nccn1CCCOc1ccc(C[N@@H+]2CCC[C@@](O)(COc3ccc(C)cc3C)CC2)cc1OC ZINC000585272791 1071026950 /nfs/dbraw/zinc/02/69/50/1071026950.db2.gz WWYFGIUIMJFEOT-HKBQPEDESA-N 1 0 521.702 5.336 40 0 KKABRO Cc1cnn(CCOc2cccc(C[N@@H+]3CCC[C@](O)(COc4ccc(Cl)c(Cl)c4)CC3)c2)c1 ZINC000585271897 1071027038 /nfs/dbraw/zinc/02/70/38/1071027038.db2.gz PWFCALHCEOVWJD-AREMUKBSSA-N 1 0 504.458 5.373 40 0 KKABRO Cc1ccc(Cl)c(OC[C@]2(O)CCC[N@H+](Cc3cccc(OCCCN4CCCCCC4=O)c3)C2)c1 ZINC000585272638 1071027713 /nfs/dbraw/zinc/02/77/13/1071027713.db2.gz UYPJQISTRKJASP-LJAQVGFWSA-N 1 0 515.094 5.226 40 0 KKABRO Cc1ccc(Cl)c(OC[C@]2(O)CCC[N@@H+](Cc3ccc(OCCn4c5ccccc5n(C)c4=O)cc3)CC2)c1 ZINC000585274194 1071031118 /nfs/dbraw/zinc/03/11/18/1071031118.db2.gz UADSAUWGVIZPOO-HKBQPEDESA-N 1 0 550.099 5.177 40 0 KKABRO COc1cc(C[NH+]2CCC(O)(COc3cc(C)ccc3Cl)CC2)ccc1OCCCn1cc(C)cn1 ZINC000585274986 1071032327 /nfs/dbraw/zinc/03/23/27/1071032327.db2.gz SPBBPKOGGVLMEY-UHFFFAOYSA-N 1 0 514.066 5.037 40 0 KKABRO CC(C)(C)OC(=O)N1[C@@H](c2ccc(F)cc2)C[C@]2(C)[C@H]1CCC[C@H]([NH2+]Cc1cccc(CN3CCOCC3)c1)[C@H]2O ZINC000585273683 1071033048 /nfs/dbraw/zinc/03/30/48/1071033048.db2.gz RLSSDOTZMWFPSN-CIJFAYEASA-N 1 0 567.746 5.418 40 0 KKABRO CCc1nccn1CCCOc1cc(C[N@@H+]2CCC[C@](O)(COc3cc(C)ccc3Cl)C2)ccc1OC ZINC000585273332 1071033833 /nfs/dbraw/zinc/03/38/33/1071033833.db2.gz ZVYLWDSSPZMNEV-GDLZYMKVSA-N 1 0 528.093 5.291 40 0 KKABRO COc1cc(C[N@@H+]2CCC[C@@](O)(COc3cc(C)c(Cl)c(C)c3)C2)ccc1OCCCN1CCCCCC1=O ZINC000585278809 1071034438 /nfs/dbraw/zinc/03/44/38/1071034438.db2.gz AFDVZMZKJLVYAL-HKBQPEDESA-N 1 0 559.147 5.543 40 0 KKABRO O=C1CCCCN1CCCOc1ccc(C[N@H+]2CCC[C@@](O)(COc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000585278979 1071034987 /nfs/dbraw/zinc/03/49/87/1071034987.db2.gz BHUIFKQSAZCJQZ-NDEPHWFRSA-N 1 0 535.512 5.571 40 0 KKABRO COC1(COc2ccc(C)cc2C)CC[NH+](Cc2ccc(OCCCn3cc(C)ccc3=O)cc2)CC1 ZINC000585279001 1071035229 /nfs/dbraw/zinc/03/52/29/1071035229.db2.gz BNTAFXOFILIWGY-UHFFFAOYSA-N 1 0 504.671 5.303 40 0 KKABRO COc1cc(C[NH+]2CCC(O)(COc3cc(C)ccc3Cl)CC2)ccc1OCCCN1CCCCCC1=O ZINC000585280734 1071035645 /nfs/dbraw/zinc/03/56/45/1071035645.db2.gz RXOTULJEDWCAFA-UHFFFAOYSA-N 1 0 545.120 5.234 40 0 KKABRO COc1cc(C[N@@H+]2CCC[C@@](O)(COc3ccc(C)cc3C)CC2)ccc1OCCCN1CCCCCC1=O ZINC000585280993 1071037149 /nfs/dbraw/zinc/03/71/49/1071037149.db2.gz UXRKXLWINQEDMT-YTTGMZPUSA-N 1 0 538.729 5.280 40 0 KKABRO COc1cc(C[N@@H+]2CCC[C@@](O)(COc3cc(C)ccc3Cl)C2)ccc1OCCCN1CCCCCC1=O ZINC000585279484 1071038494 /nfs/dbraw/zinc/03/84/94/1071038494.db2.gz CXRGXQHAFMEZJZ-PMERELPUSA-N 1 0 545.120 5.234 40 0 KKABRO Cc1nccn1CCCOc1ccc(C[NH+]2CCC(Nc3ncnc4sc5c(c43)CC(C)(C)OC5)CC2)cc1 ZINC000585291776 1071040894 /nfs/dbraw/zinc/04/08/94/1071040894.db2.gz CNRBQASZXIMYCQ-UHFFFAOYSA-N 1 0 546.741 5.593 40 0 KKABRO COc1ccc(C[NH+]2CCC(Nc3ncnc4sc5c(c43)CC(C)(C)OC5)CC2)cc1Cc1c(C)n[nH]c1C ZINC000585291760 1071040957 /nfs/dbraw/zinc/04/09/57/1071040957.db2.gz CGJRJCLBTHCJLI-UHFFFAOYSA-N 1 0 546.741 5.558 40 0 KKABRO Cc1cnn(CCCOc2cccc(C[NH+]3CCC(Nc4ncnc5sc6c(c54)CC(C)(C)OC6)CC3)c2)c1 ZINC000585292954 1071046522 /nfs/dbraw/zinc/04/65/22/1071046522.db2.gz QFENGNCTDPPWFP-UHFFFAOYSA-N 1 0 546.741 5.593 40 0 KKABRO Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C[N@@H+]4CCc5ccccc5C4)cc3)cc2)c1 ZINC000408921673 1071093203 /nfs/dbraw/zinc/09/32/03/1071093203.db2.gz UJOSMRLMYIMYHI-UHFFFAOYSA-N 1 0 511.647 5.606 40 0 KKABRO O=C(NCCSCc1ccc(Cl)cc1Cl)c1ccc(C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000408920867 1071099150 /nfs/dbraw/zinc/09/91/50/1071099150.db2.gz QEHAXVHCWJURND-UHFFFAOYSA-N 1 0 514.522 5.979 40 0 KKABRO Cc1cc(CSc2ccccc2)ccc1NC(=O)c1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000408920639 1071100041 /nfs/dbraw/zinc/10/00/41/1071100041.db2.gz LEGKZDJLBPKWQP-UHFFFAOYSA-N 1 0 521.730 6.857 40 0 KKABRO O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000408920257 1071106686 /nfs/dbraw/zinc/10/66/86/1071106686.db2.gz DJLGDGHXRKVXBN-UHFFFAOYSA-N 1 0 642.143 7.867 40 0 KKABRO C=C1[NH+]=C(SCC(=O)Nc2ccccc2C(C)C)N[C@H](c2cccc(Br)c2)C1C(=O)OCC ZINC000409335273 1072341214 /nfs/dbraw/zinc/34/12/14/1072341214.db2.gz KSUBQEDCWPOPQB-HSZRJFAPSA-N 1 0 530.488 5.782 40 0 KKABRO CCC(CC)c1cc([C@H]2C[N@@H+]3CC[C@H]2C[C@@H]3COC(=O)Nc2ccc(C(C)(C)C)cc2)nc(-c2ccncc2)n1 ZINC000067870934 1072900274 /nfs/dbraw/zinc/90/02/74/1072900274.db2.gz BEOQITRUWSBWHT-VCTRFXNDSA-N 1 0 541.740 7.166 40 0 biogenic,in-vitro KKABRO COc1cc([C@@H](CC(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc(OC)c1OC ZINC001547138696 1073180274 /nfs/dbraw/zinc/18/02/74/1073180274.db2.gz FLIXEDROTPFXSO-FBMJBXBXSA-N 1 0 706.877 6.508 40 0 KKABRO COc1cc([C@@H](CC(=O)NC2CC[NH+]([C@@H]3CCc4ccccc4NC3=O)CC2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc(OC)c1OC ZINC001547138724 1073180288 /nfs/dbraw/zinc/18/02/88/1073180288.db2.gz QRVJNYZJFLFBLQ-NKPPDARJSA-N 1 0 797.946 6.662 40 0 KKABRO COc1ccc([C@@H](CNC(=O)C[C@@H](c2cc(OC)c(OC)c(OC)c2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)[NH+](C)C)cc1 ZINC001547139271 1073185509 /nfs/dbraw/zinc/18/55/09/1073185509.db2.gz UQDHAXVIYNZCGX-FWGANANOSA-N 1 0 732.871 6.555 40 0 KKABRO COc1cc([C@@H](CC(=O)N[C@H]2C[NH+]3CCC2CC3)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc(OC)c1OC ZINC001547139665 1073188622 /nfs/dbraw/zinc/18/86/22/1073188622.db2.gz XJJJDTIAPZNBTC-ZGOJTZKKSA-N 1 0 664.796 5.338 40 0 KKABRO COc1nc2ccc(Br)cc2cc1C(c1ccccc1)[C@@](O)(CC[NH+](C)C)c1cccc2ccccc21 ZINC001560405147 1073194409 /nfs/dbraw/zinc/19/44/09/1073194409.db2.gz BPQDEJFKQRLMIA-JGCGQSQUSA-N 1 0 554.508 6.969 40 0 KKABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c2cc(Cl)ccc2Cl)cc1 ZINC000224504635 193950896 /nfs/dbraw/zinc/95/08/96/193950896.db2.gz WTBHUETWRLGJCA-UHFFFAOYSA-N 1 0 546.520 5.409 40 0 KKABRO CC[C@@H](c1nnnn1C(C)(C)C)N(CCc1ccc(OC)c(OC)c1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000001375563 551657338 /nfs/dbraw/zinc/65/73/38/551657338.db2.gz LLQRBLVIBOMISQ-DEOSSOPVSA-N 1 0 532.689 5.100 40 0 KKABRO CC[C@H](c1nnnn1Cc1ccc(F)cc1)N(Cc1ccc2c(c1)OCO2)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000001375483 551657381 /nfs/dbraw/zinc/65/73/81/551657381.db2.gz CFUKTELDAKTGPP-AREMUKBSSA-N 1 0 554.626 5.201 40 0 KKABRO Cc1ccc2c(c1)C(C)(C)/C(=C/C=C1CCCC(/C=C\C3=[N+](C)c4ccc(C)cc4C3(C)C)=C1Cl)N2C ZINC000003845433 552420313 /nfs/dbraw/zinc/42/03/13/552420313.db2.gz VMWKZUZZTXBFSC-UHFFFAOYSA-N 1 0 512.161 8.780 40 0 KKABRO CC(C)(C)OC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]([NH3+])CSC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000005119224 552494013 /nfs/dbraw/zinc/49/40/13/552494013.db2.gz OXDYVXYZOPLSHL-ACHIHNKUSA-N 1 0 623.819 5.224 40 0 KKABRO CC[N@@H+]1CC[C@@](O)(c2ccc(Oc3ccc(F)cc3)cc2)[C@H](C(=O)c2ccc(Oc3ccc(F)cc3)cc2)C1 ZINC000005823025 552510270 /nfs/dbraw/zinc/51/02/70/552510270.db2.gz GMXBLSPFZOFZHR-XDFJSJKPSA-N 1 0 529.583 6.962 40 0 KKABRO CC[NH+](CC)CCCN(C(=O)c1cc(OC)c(OC)c(OC)c1)c1nc(-c2ccc(F)cc2)cs1 ZINC000006511285 552597237 /nfs/dbraw/zinc/59/72/37/552597237.db2.gz QTLDVQLOVQRQTE-UHFFFAOYSA-N 1 0 501.624 5.354 40 0 KKABRO Cc1cccc(C[NH+]2CCC(C(=O)Nc3ccc(S(=O)(=O)Nc4cccc5ccccc54)cc3)CC2)c1 ZINC000009063050 553205259 /nfs/dbraw/zinc/20/52/59/553205259.db2.gz GUYWVJXXXUVXCR-UHFFFAOYSA-N 1 0 513.663 5.800 40 0 KKABRO O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000009063614 553205488 /nfs/dbraw/zinc/20/54/88/553205488.db2.gz ZXHPPJSSVBUXLX-UHFFFAOYSA-N 1 0 502.011 5.131 40 0 KKABRO Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)C3CC[NH+](Cc4ccc(Cl)cc4)CC3)cc2)c(C)c1 ZINC000009063423 553205574 /nfs/dbraw/zinc/20/55/74/553205574.db2.gz CWVNAMSGRSEDIM-UHFFFAOYSA-N 1 0 512.075 5.608 40 0 KKABRO O=C(NC1CCCC1)[C@@H](c1ccc(F)cc1)N(C(=O)c1ccc(C[NH+]2CCCCC2)o1)c1ccccc1 ZINC000012702584 553414011 /nfs/dbraw/zinc/41/40/11/553414011.db2.gz MIUNXJMAPYFSCR-MUUNZHRXSA-N 1 0 503.618 5.852 40 0 KKABRO CCOc1ccc2[nH]c(=O)c(CN(Cc3ccc(OC)cc3)[C@H](CC)c3nnnn3C(C)(C)CC)cc2c1 ZINC000013495189 553461628 /nfs/dbraw/zinc/46/16/28/553461628.db2.gz SSLRNGZZTIOITD-AREMUKBSSA-N 1 0 518.662 5.221 40 0 KKABRO CCOc1ccc2[nH]c(=O)c(CN(Cc3ccc(OC)cc3)[C@H](CC)c3nnnn3C3CCCC3)cc2c1 ZINC000013495193 553461640 /nfs/dbraw/zinc/46/16/40/553461640.db2.gz XMXPYYPEALHERM-HHHXNRCGSA-N 1 0 516.646 5.191 40 0 KKABRO CCOc1ccc2[nH]c(=O)c(C[N@H+]([C@@H](c3nnnn3Cc3ccco3)C(C)C)C3CCCCC3)cc2c1 ZINC000013500679 553466042 /nfs/dbraw/zinc/46/60/42/553466042.db2.gz XFSIUPPXOWEMRY-AREMUKBSSA-N 1 0 504.635 5.087 40 0 KKABRO O=C(CC12CC3CC(CC(C3)C1)C2)NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000014277191 553510112 /nfs/dbraw/zinc/51/01/12/553510112.db2.gz QCADNLYQICWCPG-UHFFFAOYSA-N 1 0 502.728 5.428 40 0 KKABRO CC[NH+](CC)CCOC(=O)c1c2cc(OC)c(Br)cc2n(C)c1CSc1ccccc1 ZINC000014943899 553521730 /nfs/dbraw/zinc/52/17/30/553521730.db2.gz ZTHYRLIGYAOFFE-UHFFFAOYSA-N 1 0 505.478 5.740 40 0 KKABRO C(=C/c1sc(N2CCCCC2)nc1N1CCCCC1)\C=C1/SC(=[N+]2CCCCC2)N=C1N1CCCCC1 ZINC000016382748 553561690 /nfs/dbraw/zinc/56/16/90/553561690.db2.gz RKNGAHPOWAGZRY-UHFFFAOYSA-N 1 0 539.839 6.204 40 0 KKABRO COc1cc(C[NH2+][C@H](C)C23CC4CC(CC(C4)C2)C3)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000016576122 553568437 /nfs/dbraw/zinc/56/84/37/553568437.db2.gz TWPKCBDWYTVZFG-KMOWTAILSA-N 1 0 518.923 7.385 40 0 KKABRO C[N+]1=C(/C=C/c2c3ccccc3c3c(-c4ccccc4)cc(-c4ccccc4)oc2-3)C(C)(C)c2ccccc21 ZINC000016605561 553568800 /nfs/dbraw/zinc/56/88/00/553568800.db2.gz OZPZPONYXGWSIP-GHVJWSGMSA-N 1 0 504.653 9.591 40 0 KKABRO COc1cc(C[NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000016605807 553568812 /nfs/dbraw/zinc/56/88/12/553568812.db2.gz NMYSQKUADGOKLT-GVGIJBBXSA-N 1 0 508.917 8.073 40 0 KKABRO CCOc1cc(C[NH2+][C@H](C)C23CC4CC(CC(C4)C2)C3)cc(Br)c1OCc1ccccc1F ZINC000016688708 553573248 /nfs/dbraw/zinc/57/32/48/553573248.db2.gz PQUWWNSYFBJORO-DKODJIDWSA-N 1 0 516.495 7.260 40 0 KKABRO c1c(-c2ccccc2)c2c(ncnc2N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)n1-c1ccccc1 ZINC000016768288 553581259 /nfs/dbraw/zinc/58/12/59/553581259.db2.gz GWMDMIUWILBCKK-UHFFFAOYSA-N 1 0 521.668 6.999 40 0 KKABRO C[C@H]1CCC=C2C[C@H]3OC(=O)[C@H](C[NH+]4CCN([C@H](c5ccccc5)c5ccc(Cl)cc5)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000070681039 553604867 /nfs/dbraw/zinc/60/48/67/553604867.db2.gz FGXQERORDNVKRX-IUNVXHGWSA-N 1 0 535.128 5.332 40 0 KKABRO CC[NH+](CC)C[C@@]1(Sc2ccc(C)cc2)COc2c(Br)cc(Br)cc2C1=O ZINC000019596476 553615026 /nfs/dbraw/zinc/61/50/26/553615026.db2.gz OXMXXJGBGHIMSU-OAQYLSRUSA-N 1 0 513.295 5.968 40 0 KKABRO Cc1ccc2nc(-c3ccc(NC(=O)c4ccc(C[NH+]5CCN(c6ccccc6)CC5)cc4)cc3)sc2c1 ZINC000020242106 553627042 /nfs/dbraw/zinc/62/70/42/553627042.db2.gz KUFZXTRESFMYEL-UHFFFAOYSA-N 1 0 518.686 6.846 40 0 KKABRO Cc1nnc(C(C)C)n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@H](NC(=O)C1CCC(F)(Cl)CC1)c1ccccc1 ZINC000077285723 553658184 /nfs/dbraw/zinc/65/81/84/553658184.db2.gz NMLZEJRCFABHBR-XAGKTSFCSA-N 1 0 530.132 6.220 40 0 in-vitro KKABRO Clc1ccc([C@@H](C[n+]2ccn(Cc3ccc(Sc4ccccc4)cc3)c2)OCc2ccc(Sc3ccccc3)cc2)c(Cl)c1 ZINC000077312443 553663570 /nfs/dbraw/zinc/66/35/70/553663570.db2.gz BFGYAWZOHZAKSY-DIPNUNPCSA-N 1 0 654.708 10.391 40 0 in-vitro KKABRO c1ccc2c(c1)Sc1ccccc1N2CCCN1CC[NH+](CCCN2c3ccccc3Sc3ccccc32)CC1 ZINC000077312334 553663589 /nfs/dbraw/zinc/66/35/89/553663589.db2.gz ULTVUUYETVQZDZ-UHFFFAOYSA-N 1 0 564.824 7.990 40 0 in-vitro KKABRO CCCC[NH+](CCCC)CCCOc1ccc(C(=O)c2c(-c3ccccc3)c(Br)c3ccccn32)cc1Cl ZINC000084758639 553678277 /nfs/dbraw/zinc/67/82/77/553678277.db2.gz FXUPBFVDIVRFCX-UHFFFAOYSA-N 1 0 596.009 8.924 40 0 in-man KKABRO CC[C@H]1C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C ZINC000095547999 553703578 /nfs/dbraw/zinc/70/35/78/553703578.db2.gz DUEWLUKXNJMYIL-LACMMBDSSA-N 1 0 766.980 7.800 40 0 KKABRO COc1cc(C[NH2+]CCCN2CCOCC2)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000022074034 553725865 /nfs/dbraw/zinc/72/58/65/553725865.db2.gz LWMYFHVLKUVQIE-UHFFFAOYSA-N 1 0 518.279 5.155 40 0 KKABRO COc1cccc(C[NH2+]CCSc2nnnn2-c2ccccc2)c1OCc1ccc(Cl)cc1Cl ZINC000022107803 553726167 /nfs/dbraw/zinc/72/61/67/553726167.db2.gz LJXLDKWVAUSXJO-UHFFFAOYSA-N 1 0 516.454 5.439 40 0 KKABRO CC(=O)N1CCC2(CC1)C[C@H](CC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1)c1ccccc1O2 ZINC000096268124 553731783 /nfs/dbraw/zinc/73/17/83/553731783.db2.gz ILYOJHRZPLKJGZ-VWLOTQADSA-N 1 0 503.687 5.727 40 0 KKABRO COc1c(Br)cc(Br)cc1/C=C/C(=O)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC000022832397 553755714 /nfs/dbraw/zinc/75/57/14/553755714.db2.gz SKNWRXNPGYMVPK-JXMROGBWSA-N 1 0 508.254 5.858 40 0 KKABRO Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)cc2c1 ZINC000022869587 553764720 /nfs/dbraw/zinc/76/47/20/553764720.db2.gz DLPQBRGYCBKZND-XIFFEERXSA-N 1 0 573.745 5.743 40 0 KKABRO Cc1ccc2cc([C@@H](c3nnnn3C3CCCC3)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c(=O)[nH]c2c1 ZINC000022871787 553765544 /nfs/dbraw/zinc/76/55/44/553765544.db2.gz AKKYQLPUOITYDP-YTTGMZPUSA-N 1 0 559.718 5.435 40 0 KKABRO Cc1cccc2cc([C@@H](c3nnnn3C3CCCC3)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c(=O)[nH]c12 ZINC000022872818 553766198 /nfs/dbraw/zinc/76/61/98/553766198.db2.gz HYVWHPZBJZMUCH-YTTGMZPUSA-N 1 0 559.718 5.435 40 0 KKABRO Cc1cccc2cc([C@@H](c3nnnn3C(C)(C)C)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c(=O)[nH]c12 ZINC000022872812 553766227 /nfs/dbraw/zinc/76/62/27/553766227.db2.gz SZQGHMVFCBBDDF-PMERELPUSA-N 1 0 547.707 5.075 40 0 KKABRO O=C(Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000023227831 553771630 /nfs/dbraw/zinc/77/16/30/553771630.db2.gz SCGNMAGZLAIUML-UHFFFAOYSA-N 1 0 518.466 6.032 40 0 KKABRO CC[C@@H](c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1)N(CCC[NH+](C)C)C(=O)c1ccc(Br)cc1 ZINC000001910574 561680241 /nfs/dbraw/zinc/68/02/41/561680241.db2.gz PZVLDHUUSWUATQ-MHZLTWQESA-N 1 0 595.969 6.406 40 0 KKABRO O=C(Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000025767402 553813524 /nfs/dbraw/zinc/81/35/24/553813524.db2.gz HYFSEWRPIQBBNQ-UHFFFAOYSA-N 1 0 504.439 5.642 40 0 KKABRO O[C@@H](Cn1c2ccc(Br)cc2c2cc(Br)ccc21)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000027440014 553825629 /nfs/dbraw/zinc/82/56/29/553825629.db2.gz DQZDNDPDJPCEBB-OAQYLSRUSA-N 1 0 561.293 5.642 40 0 KKABRO Cc1nnc(C(C)C)n1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 ZINC000100086434 554209073 /nfs/dbraw/zinc/20/90/73/554209073.db2.gz GSNHKUDZZFZSJB-XDZVQPMWSA-N 1 0 513.677 5.951 40 0 in-man KKABRO O=C1[C@H]2[C@@H](Cc3ccccc3)[NH2+][C@@]3(c4ccccc4N(Cc4ccccc4)C3=O)[C@@H]2C(=O)N1c1cccc(Cl)c1 ZINC000100151500 554231827 /nfs/dbraw/zinc/23/18/27/554231827.db2.gz OUNJCHWZWVJYTM-ATIRDNPNSA-N 1 0 548.042 5.102 40 0 KKABRO O=C(NC1CCCCC1)[C@@H](c1ccc(F)cc1)N(C(=O)c1ccc(CN2CCOCC2)o1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000100275507 554271893 /nfs/dbraw/zinc/27/18/93/554271893.db2.gz HTYHQEAPOKJKGR-UUWRZZSWSA-N 1 0 616.778 5.548 40 0 KKABRO CN1c2ccc3ccccc3c2C(C)(C)/C1=C/C=C\C=C/C=C/C1=[N+](C)c2ccc3ccccc3c2C1(C)C ZINC000038611831 554275170 /nfs/dbraw/zinc/27/51/70/554275170.db2.gz PARNPWGHDNMVOG-UHFFFAOYSA-N 1 0 509.717 8.979 40 0 KKABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4cccc5ccccc54)cc3)cc2)C1 ZINC000038754978 554276356 /nfs/dbraw/zinc/27/63/56/554276356.db2.gz VYZAEODIDVYFKT-JOCHJYFZSA-N 1 0 513.663 6.125 40 0 KKABRO O=C(Nc1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000039742498 554279959 /nfs/dbraw/zinc/27/99/59/554279959.db2.gz PZIOYHAHDNWNAY-UHFFFAOYSA-N 1 0 517.626 5.630 40 0 KKABRO O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000039762792 554280521 /nfs/dbraw/zinc/28/05/21/554280521.db2.gz NGMRTKLCSVWFBC-UHFFFAOYSA-N 1 0 518.466 5.645 40 0 KKABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c2cc(C)ccc2C)cc1 ZINC000044873617 554306517 /nfs/dbraw/zinc/30/65/17/554306517.db2.gz HBQRIXJVXTXBLA-UHFFFAOYSA-N 1 0 519.711 5.109 40 0 KKABRO CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000044873981 554306762 /nfs/dbraw/zinc/30/67/62/554306762.db2.gz STZSWQFNWLVOHP-UHFFFAOYSA-N 1 0 526.102 5.222 40 0 KKABRO Cc1nn(-c2ccccc2)c2sc(C(=O)N(CCC[NH+](C)C)c3nc(-c4ccc(Cl)cc4)cs3)cc12 ZINC000100327005 554310374 /nfs/dbraw/zinc/31/03/74/554310374.db2.gz MUMVFIYRJUVISO-UHFFFAOYSA-N 1 0 536.126 6.771 40 0 KKABRO O=C(Cn1nnc(-c2cccs2)n1)N([C@H](C(=O)NC1CCCCC1)c1ccc(F)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000100329762 554311841 /nfs/dbraw/zinc/31/18/41/554311841.db2.gz GKGPXMBYPRVVCL-HKBQPEDESA-N 1 0 615.779 5.224 40 0 KKABRO CC[C@H](c1nnnn1C1CCCCC1)N(CCc1ccc(OC)c(OC)c1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000100377236 554360273 /nfs/dbraw/zinc/36/02/73/554360273.db2.gz NHWKDRVYLCXHOF-AREMUKBSSA-N 1 0 544.700 5.541 40 0 KKABRO O=C(Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000059887094 554467989 /nfs/dbraw/zinc/46/79/89/554467989.db2.gz ZPASPYJULQQZEP-UHFFFAOYSA-N 1 0 565.617 6.317 40 0 KKABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3)cc2)C1 ZINC000060028874 554496625 /nfs/dbraw/zinc/49/66/25/554496625.db2.gz KMGWTTBMTRRZGJ-IBGZPJMESA-N 1 0 531.600 5.990 40 0 KKABRO COc1ccc(CN(Cc2ccc(OC)cc2)C[C@H]2C[C@@H]3CC[N@@H+]2C[C@@H]3c2cc(C3CCCCC3)nn2C)cc1 ZINC000067870596 554533810 /nfs/dbraw/zinc/53/38/10/554533810.db2.gz BKQDULDOBDHHIH-LBRLCBGXSA-N 1 0 542.768 6.365 40 0 biogenic,in-vitro KKABRO Cc1ccc(S[C@]2(C[NH+]3CCCC3)COc3c(Br)c(C)c(Br)cc3C2=O)cc1 ZINC000100959148 554541966 /nfs/dbraw/zinc/54/19/66/554541966.db2.gz OLASTMRCJFYUPZ-JOCHJYFZSA-N 1 0 525.306 6.030 40 0 KKABRO Cc1ccc2c(c1C)NC(=O)[C@]21[N@@H+]2CCC[C@@H]2[C@@H](C(=O)c2ccc(Br)cc2)[C@@]12C(=O)Nc1ccccc12 ZINC000101064456 554571753 /nfs/dbraw/zinc/57/17/53/554571753.db2.gz DSFLXWSYLKLABO-LZEUDMGESA-N 1 0 556.460 5.081 40 0 KKABRO CC(C)OC(=O)[C@@H]1O[P@@](=O)(OC(c2ccccc2)(c2ccccc2)C23CC[NH+](CC2)CC3)O[C@@H]1C(=O)OC(C)C ZINC000102347385 554913419 /nfs/dbraw/zinc/91/34/19/554913419.db2.gz AFXPHJANXRXQPI-ZTRDQFKBSA-N 1 0 571.607 5.228 40 0 KKABRO COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1C[NH+]1CCC(C)CC1 ZINC000102512204 554946745 /nfs/dbraw/zinc/94/67/45/554946745.db2.gz WMPQAORGZVONAJ-AWCRTANDSA-N 1 0 590.518 5.741 40 0 KKABRO Clc1ccc(COc2ccc(Cl)cc2C[NH2+]CCCSc2nnnn2-c2ccccc2)c(Cl)c1 ZINC000102558610 554965805 /nfs/dbraw/zinc/96/58/05/554965805.db2.gz HXMKATBSSPMJFV-UHFFFAOYSA-N 1 0 534.900 6.474 40 0 KKABRO COc1cc(C[NH2+]CCCSc2nnnn2-c2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000102558482 554965868 /nfs/dbraw/zinc/96/58/68/554965868.db2.gz KJTVFXOQMOLCTM-UHFFFAOYSA-N 1 0 530.481 5.829 40 0 KKABRO CCOc1cc(C[NH2+]CCCSc2nnnn2-c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000102558727 554966188 /nfs/dbraw/zinc/96/61/88/554966188.db2.gz AZMUTFNTKYGAHG-UHFFFAOYSA-N 1 0 588.959 6.328 40 0 KKABRO CCOc1cc(C[NH2+]CCCSc2nnnn2-c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000102558703 554966196 /nfs/dbraw/zinc/96/61/96/554966196.db2.gz BLCQKORNPCXTGK-UHFFFAOYSA-N 1 0 623.404 6.981 40 0 KKABRO Clc1ccc(COc2ccc3ccccc3c2C[NH2+]CCSc2nnnn2-c2ccccc2)c(Cl)c1 ZINC000102559393 554966846 /nfs/dbraw/zinc/96/68/46/554966846.db2.gz XIGQLLOOHBEXKV-UHFFFAOYSA-N 1 0 536.488 6.583 40 0 KKABRO CCOc1cc(C[NH2+]CCc2ccc(OC)c(OC)c2)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000102569673 554970256 /nfs/dbraw/zinc/97/02/56/554970256.db2.gz IGWOZOWTPMJBQS-UHFFFAOYSA-N 1 0 534.878 6.430 40 0 KKABRO COc1ccc(CC[NH2+]Cc2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)cc1OC ZINC000102569658 554970258 /nfs/dbraw/zinc/97/02/58/554970258.db2.gz VLHCXNVDXMDGKX-UHFFFAOYSA-N 1 0 525.270 6.684 40 0 KKABRO CCOc1cc(C[NH2+]CCCN2CCOCC2)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000102572203 554971070 /nfs/dbraw/zinc/97/10/70/554971070.db2.gz UJFKLVBYSBDSRB-UHFFFAOYSA-N 1 0 532.306 5.546 40 0 KKABRO Cc1ccc2c(c1C)NC(=O)[C@]21[N@@H+]2CCC[C@H]2[C@H](C(=O)c2ccc3ccccc3c2)[C@]12c1ccccc1NC2=O ZINC000102769212 555056725 /nfs/dbraw/zinc/05/67/25/555056725.db2.gz YOTKJXYNGWBHAW-BLXACNBASA-N 1 0 527.624 5.471 40 0 KKABRO O=C(c1ccc(Cl)cc1Cl)[C@H]1[C@@]2(C(=O)Nc3ccccc32)[C@H]2CCCN2[C@@]12C(=O)Nc1ccccc12 ZINC000102811964 555075093 /nfs/dbraw/zinc/07/50/93/555075093.db2.gz LKLZRYIWPSGWBV-SSVAKIOMSA-N 1 0 518.400 5.008 40 0 KKABRO CCc1cccc2c1NC(=O)[C@]21[N@@H+]2CCC[C@@H]2[C@@H](C(=O)c2ccc(Br)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000103518448 555423990 /nfs/dbraw/zinc/42/39/90/555423990.db2.gz PJAKLDZWFIABNU-XSHKJCDBSA-N 1 0 556.460 5.026 40 0 KKABRO CCOc1cc(C[NH2+][C@@H](C)C23CC4CC(CC(C4)C2)C3)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000103588607 555452100 /nfs/dbraw/zinc/45/21/00/555452100.db2.gz JMXWRTUCIXIZIO-BBXRDKHSSA-N 1 0 567.395 8.428 40 0 KKABRO Cc1nc(-c2ccccc2Br)cc([C@H]2C[N@@H+]3CC[C@H]2C[C@@H]3CNC(=O)NC2CCCCC2)n1 ZINC000008623169 560209891 /nfs/dbraw/zinc/20/98/91/560209891.db2.gz MEQZUMBZMWEECP-DWLFOUALSA-N 1 0 512.496 5.024 40 0 biogenic,in-vitro KKABRO [NH3+]CCCOc1cc2ccccc2cc1C(=O)NCCOc1cc2ccccc2cc1C(=O)Nc1ccc(Cl)cc1O ZINC000205657166 562875605 /nfs/dbraw/zinc/87/56/05/562875605.db2.gz AZHZVCGYOUJGQE-UHFFFAOYSA-N 1 0 584.072 6.141 40 0 KKABRO CCCOc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc(OC)c(OC)c3)N3C=Cc4ccccc4[C@@H]3[C@@]23c2ccccc2NC3=O)cc1 ZINC000103287978 571361454 /nfs/dbraw/zinc/36/14/54/571361454.db2.gz FRFQVSQWJGZNEN-OSZGUBSQSA-N 1 0 614.698 6.474 40 0 KKABRO CCCOc1ccc(C(O)=C2[C@H](C(=O)c3ccccn3)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000103288134 571361498 /nfs/dbraw/zinc/36/14/98/571361498.db2.gz NZTUBLJDNCPHMP-GYEXEWKGSA-N 1 0 555.634 5.852 40 0 KKABRO CCCOc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc(F)cc3)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000103288016 571361638 /nfs/dbraw/zinc/36/16/38/571361638.db2.gz INUYKDTWZDTVGN-XKEBTDTJSA-N 1 0 572.636 6.596 40 0 KKABRO CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC=C4[C@H]5CC(C)(C)CC[C@]5(C(=O)NCC[NH+](C)C)CC[C@]4(C)[C@]3(C)CC[C@@H]2C1(C)C ZINC000104269982 571378161 /nfs/dbraw/zinc/37/81/61/571378161.db2.gz XMEBYGAEVAMHEQ-ZHJONCRBSA-N 1 0 568.887 7.398 40 0 KKABRO COc1cc(C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000105252290 571392454 /nfs/dbraw/zinc/39/24/54/571392454.db2.gz FCFGCPAAJQCVGA-UHFFFAOYSA-N 1 0 529.873 5.214 40 0 KKABRO Cc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c2cccc(C)c2)cc1 ZINC000107377450 571420048 /nfs/dbraw/zinc/42/00/48/571420048.db2.gz AVLROLPEWUAGFS-UHFFFAOYSA-N 1 0 553.728 5.433 40 0 KKABRO Cc1cccc(C[NH+]2CCC(C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4Cl)cc3)CC2)c1 ZINC000108521492 571426046 /nfs/dbraw/zinc/42/60/46/571426046.db2.gz BKAHMJOYVIDBNB-UHFFFAOYSA-N 1 0 532.493 5.953 40 0 KKABRO O=C(Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000108580004 571426290 /nfs/dbraw/zinc/42/62/90/571426290.db2.gz AMAVFNVDQNYUSQ-UHFFFAOYSA-N 1 0 535.563 5.496 40 0 KKABRO O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000108570903 571426307 /nfs/dbraw/zinc/42/63/07/571426307.db2.gz SUJYQPYRAXMTSC-UHFFFAOYSA-N 1 0 562.917 5.754 40 0 KKABRO O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000108558783 571426366 /nfs/dbraw/zinc/42/63/66/571426366.db2.gz JHFWNZJXHVWQOV-UHFFFAOYSA-N 1 0 552.911 6.298 40 0 KKABRO Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000108567607 571426370 /nfs/dbraw/zinc/42/63/70/571426370.db2.gz ZGHNNVSQJURTOL-UHFFFAOYSA-N 1 0 532.493 5.953 40 0 KKABRO CC(=O)O[C@H]1CC[C@@]2(C)C(=C[C@@H]([NH2+]C3CCCCC3)[C@H]3[C@@H]4CC[C@H]([C@@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1 ZINC000118933525 571447756 /nfs/dbraw/zinc/44/77/56/571447756.db2.gz FTLRMZFOMOKYGR-ANPUVQDYSA-N 1 0 525.862 8.860 40 0 KKABRO CC(=O)O[C@H]1CC[C@@]2(C)C(=C[C@@H]([NH+]3CCCCC3)[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1 ZINC000118934373 571447800 /nfs/dbraw/zinc/44/78/00/571447800.db2.gz LDLFMTWFFWGZLY-RWXNDBJKSA-N 1 0 511.835 8.424 40 0 KKABRO O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000139849705 571453950 /nfs/dbraw/zinc/45/39/50/571453950.db2.gz MBUFUUQSDVBSDS-UHFFFAOYSA-N 1 0 532.493 5.101 40 0 KKABRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1 ZINC000139854518 571454079 /nfs/dbraw/zinc/45/40/79/571454079.db2.gz DRPQDIJQLBLGPO-UHFFFAOYSA-N 1 0 539.701 5.608 40 0 KKABRO CC(C)(C)C[C@H]1[N@@H+]2[C@H](C(=O)O[C@@H](c3ccccc3)[C@H]2c2ccccc2)[C@@H](c2cccc(Cl)c2F)[C@@]12C(=O)Nc1cc(Cl)ccc12 ZINC000150365391 571464570 /nfs/dbraw/zinc/46/45/70/571464570.db2.gz RPMFQFBFADLWIT-JLYAFGFASA-N 1 0 643.586 8.635 40 0 KKABRO CCOC(=O)CC[C@@H](NC(=O)[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)OCC ZINC000150382594 571467258 /nfs/dbraw/zinc/46/72/58/571467258.db2.gz HXQMEXBMQABZTD-GSFSDPDBSA-N 1 0 791.026 9.053 40 0 KKABRO CCOC(=O)[C@@H](C)NC(=O)[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000150382635 571467346 /nfs/dbraw/zinc/46/73/46/571467346.db2.gz QMRLLTMNQJHCEC-KKMSLZIYSA-N 1 0 704.936 8.730 40 0 KKABRO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)c(C)n1CCC[NH+]1CCOCC1 ZINC000224296641 571515992 /nfs/dbraw/zinc/51/59/92/571515992.db2.gz DADSHOUYLIDRKA-VSGBNLITSA-N 1 0 503.716 5.016 40 0 KKABRO CC(C)(C)C[C@@H]1[N@@H+]2[C@H](C(=O)O[C@H](c3ccccc3)[C@@H]2c2ccccc2)[C@@H](c2cccc(Cl)c2F)[C@]12C(=O)Nc1cc(Cl)ccc12 ZINC000166189499 571552629 /nfs/dbraw/zinc/55/26/29/571552629.db2.gz RPMFQFBFADLWIT-PQSXSVIASA-N 1 0 643.586 8.635 40 0 KKABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2cccc(C[NH+]3CCCC3)c2)c2ccc(C)c(Cl)c2)cc1 ZINC000224597959 571583401 /nfs/dbraw/zinc/58/34/01/571583401.db2.gz SWFZPXVTJFFCMC-UHFFFAOYSA-N 1 0 526.102 5.064 40 0 KKABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2cccc(C[NH+]3CCCC3)c2)c2ccc(Cl)c(Cl)c2)cc1 ZINC000224620233 571588466 /nfs/dbraw/zinc/58/84/66/571588466.db2.gz ANHDIOKEDLFPGC-UHFFFAOYSA-N 1 0 546.520 5.409 40 0 KKABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4Cl)cc3)cc2)C1 ZINC000216268795 571594059 /nfs/dbraw/zinc/59/40/59/571594059.db2.gz YRIKKQLTRBYQLQ-SFHVURJKSA-N 1 0 532.493 6.278 40 0 KKABRO CC(C)c1ccc(N(CC(=O)NCc2cccc(C[NH+]3CCCCC3)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000224648445 571594637 /nfs/dbraw/zinc/59/46/37/571594637.db2.gz QPNHDVAKXSBDQK-UHFFFAOYSA-N 1 0 519.711 5.308 40 0 KKABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2cccc(C[NH+]3CCCCC3)c2)c2cc(C)ccc2C)cc1 ZINC000224650789 571595306 /nfs/dbraw/zinc/59/53/06/571595306.db2.gz JVYWTWNJAQGTLS-UHFFFAOYSA-N 1 0 519.711 5.109 40 0 KKABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2cccc(C[NH+]3CCCCC3)c2)c2ccc(C)c(C)c2)cc1 ZINC000224650917 571595460 /nfs/dbraw/zinc/59/54/60/571595460.db2.gz MWHHDQAVITVMOV-UHFFFAOYSA-N 1 0 519.711 5.109 40 0 KKABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2cccc(C[NH+]3CCCCC3)c2)c2cccc(C(F)(F)F)c2)cc1 ZINC000224651775 571595571 /nfs/dbraw/zinc/59/55/71/571595571.db2.gz AGOSDEFIASDYDV-UHFFFAOYSA-N 1 0 559.654 5.511 40 0 KKABRO CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000224657331 571597000 /nfs/dbraw/zinc/59/70/00/571597000.db2.gz COWBSOBTLWPJLD-UHFFFAOYSA-N 1 0 526.102 5.222 40 0 KKABRO CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000224657056 571597054 /nfs/dbraw/zinc/59/70/54/571597054.db2.gz AVZOOFFJWFEDNU-UHFFFAOYSA-N 1 0 526.102 5.222 40 0 KKABRO Cc1ccccc1N(CC(=O)NCc1cccc(C[NH+]2CCCCC2)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224661837 571598151 /nfs/dbraw/zinc/59/81/51/571598151.db2.gz HHQRBNVQWNVORJ-UHFFFAOYSA-N 1 0 526.102 5.146 40 0 KKABRO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1CCC[NH+]1CCOCC1 ZINC000224666681 571598917 /nfs/dbraw/zinc/59/89/17/571598917.db2.gz RHFYZCBLSMJZGE-LQJZCPKCSA-N 1 0 581.786 6.500 40 0 KKABRO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1CCC[NH+]1CCOCC1 ZINC000224666623 571598981 /nfs/dbraw/zinc/59/89/81/571598981.db2.gz RHFYZCBLSMJZGE-JHOUSYSJSA-N 1 0 581.786 6.500 40 0 KKABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2cccc(C[NH+]3CCCCC3)c2)c2cc(Cl)ccc2Cl)cc1 ZINC000224678175 571601625 /nfs/dbraw/zinc/60/16/25/571601625.db2.gz OLJYQLQXNOWXHI-UHFFFAOYSA-N 1 0 560.547 5.799 40 0 KKABRO CS(=O)(=O)N(Cc1ccc(C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)cc1)c1cc(Cl)cc(Cl)c1 ZINC000224694030 571605831 /nfs/dbraw/zinc/60/58/31/571605831.db2.gz PWKBFWVWPWUFFT-UHFFFAOYSA-N 1 0 560.547 5.876 40 0 KKABRO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1CCC[NH+]1CCOCC1 ZINC000224700843 571606660 /nfs/dbraw/zinc/60/66/60/571606660.db2.gz KHCZRUCMBAZNDE-LQJZCPKCSA-N 1 0 581.786 6.500 40 0 KKABRO COc1ccc(N(CC(=O)NCc2ccccc2C[NH+]2CCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000224813104 571619526 /nfs/dbraw/zinc/61/95/26/571619526.db2.gz UAUFZWQZGJNORM-UHFFFAOYSA-N 1 0 556.128 5.155 40 0 KKABRO Cc1ccc(N(CC(=O)NCc2ccccc2C[NH+]2CCCCC2)S(=O)(=O)c2ccc(Cl)cc2)cc1C ZINC000224819270 571620131 /nfs/dbraw/zinc/62/01/31/571620131.db2.gz RYCFRXGORATTQO-UHFFFAOYSA-N 1 0 540.129 5.454 40 0 KKABRO Cc1ccccc1N(CC(=O)NCc1ccccc1C[NH+]1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224821623 571620324 /nfs/dbraw/zinc/62/03/24/571620324.db2.gz QFQSOZUBZUECOH-UHFFFAOYSA-N 1 0 526.102 5.146 40 0 KKABRO COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(CCC[NH+]3CCOCC3)c2C)cc1Cl ZINC000224954991 571633471 /nfs/dbraw/zinc/63/34/71/571633471.db2.gz JVMREJNUAFNHOH-SXOMAYOGSA-N 1 0 540.133 5.061 40 0 KKABRO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1CCC[NH+]1CCOCC1 ZINC000225069661 571643923 /nfs/dbraw/zinc/64/39/23/571643923.db2.gz OGPPHDNATCDYMD-HEVIKAOCSA-N 1 0 624.811 5.417 40 0 KKABRO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1CCC[NH+]1CCOCC1 ZINC000225127425 571650007 /nfs/dbraw/zinc/65/00/07/571650007.db2.gz YONARXUQKWZZSB-VMPREFPWSA-N 1 0 595.213 5.647 40 0 KKABRO CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(CCC[NH+]3CCOCC3)c2C)cc1C ZINC000225154957 571652847 /nfs/dbraw/zinc/65/28/47/571652847.db2.gz QKHGDIJHLTZSRK-IHLOFXLRSA-N 1 0 560.768 5.056 40 0 KKABRO C[C@@H]1C[C@H](C)CN(c2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cccn3-c3cc[nH+]cc3)cc2Cl)C1 ZINC000260921003 571856015 /nfs/dbraw/zinc/85/60/15/571856015.db2.gz OBOBGKGKIMLHGF-XTRXHUIHSA-N 1 0 543.140 6.580 40 0 KKABRO CC1CC[NH+](CCCOc2ccc(NC(=O)C3(c4ccc(Cl)cc4Cl)CCCCC3)cc2)CC1 ZINC000225556777 571918793 /nfs/dbraw/zinc/91/87/93/571918793.db2.gz PRXACERADKEEQG-UHFFFAOYSA-N 1 0 503.514 7.335 40 0 KKABRO C[C@@H]1C[C@@H](C)C[NH+](CCOc2ccc(NC(=O)C3(c4ccc(Cl)cc4Cl)CCOCC3)cc2)C1 ZINC000225582271 571941323 /nfs/dbraw/zinc/94/13/23/571941323.db2.gz VWLCVABILZIPNV-WOJBJXKFSA-N 1 0 505.486 6.037 40 0 KKABRO CC1CC[NH+](CCCOc2ccc(NC(=O)C3(c4ccc(Cl)cc4Cl)CCOCC3)cc2)CC1 ZINC000225582564 571941578 /nfs/dbraw/zinc/94/15/78/571941578.db2.gz OEWFKOBXYNVFFD-UHFFFAOYSA-N 1 0 505.486 6.181 40 0 KKABRO COc1ccc(C(=O)N2CCc3ccc(NC(=O)[C@H]4CCC[N@H+](Cc5ccc(Cl)cc5)C4)cc32)cc1 ZINC000225904265 572080833 /nfs/dbraw/zinc/08/08/33/572080833.db2.gz QMECTLKLBLMRHF-QHCPKHFHSA-N 1 0 504.030 5.402 40 0 KKABRO C[NH+](C)CCNc1nc(Nc2ccc(Br)c(C(F)(F)F)c2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328968074 572146831 /nfs/dbraw/zinc/14/68/31/572146831.db2.gz CXJYXAHCSXMLRQ-UHFFFAOYSA-N 1 0 564.328 5.384 40 0 KKABRO C[NH+](C)CCCNc1nc(Nc2c(Cl)cccc2C(F)(F)F)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328977728 572147563 /nfs/dbraw/zinc/14/75/63/572147563.db2.gz FVEBGEPDAGRQOA-UHFFFAOYSA-N 1 0 533.904 5.665 40 0 KKABRO Cc1c(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NCCC[NH+](C)C)n2)cccc1C(F)(F)F ZINC000329036554 572150134 /nfs/dbraw/zinc/15/01/34/572150134.db2.gz RJWWIELFFATBQD-UHFFFAOYSA-N 1 0 513.486 5.320 40 0 KKABRO Cc1cc(Br)cc(C)c1Nc1cc(-c2cccc(OC(F)(F)F)c2)nc(NCCC[NH+](C)C)n1 ZINC000329072522 572151955 /nfs/dbraw/zinc/15/19/55/572151955.db2.gz ZYXZXWZWEYDGEE-UHFFFAOYSA-N 1 0 538.412 5.373 40 0 KKABRO COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)c1 ZINC000408572257 572257655 /nfs/dbraw/zinc/25/76/55/572257655.db2.gz HPVCFERUFUINFK-VMPITWQZSA-N 1 0 514.409 5.444 40 0 KKABRO COc1ccc(NC(=O)C2=C(C)N=C3N=CNN3[C@H]2c2cccc(OCc3ccc(Cl)cc3)c2)cc1 ZINC000408625971 572283638 /nfs/dbraw/zinc/28/36/38/572283638.db2.gz YWIATVPWYAXPBF-VWLOTQADSA-N 1 0 501.974 5.100 40 0 KKABRO COCCn1c(C)cc(C[NH+]2CCC(COc3ccccc3)(CC(=O)N(C)Cc3ccccc3)CC2)c1C ZINC000257208549 572307139 /nfs/dbraw/zinc/30/71/39/572307139.db2.gz BMPOYJMLPZALDI-UHFFFAOYSA-N 1 0 517.714 5.461 40 0 KKABRO Cc1cc(C[NH+]2CCC(COc3ccccc3)(CC(=O)N(C)Cc3ccccc3)CC2)c(C)n1C1CCCC1 ZINC000257210069 572307209 /nfs/dbraw/zinc/30/72/09/572307209.db2.gz BSZYBYFZZMXLIE-UHFFFAOYSA-N 1 0 527.753 6.930 40 0 KKABRO CC(C)(C)C1CCN(C(=O)[C@@H]2C[C@H](c3ccn(C(C)(C)C)n3)[C@H](c3cccc(C(F)(F)F)c3)[NH2+]2)CC1 ZINC000257250614 572310978 /nfs/dbraw/zinc/31/09/78/572310978.db2.gz JNHMPBGNVZNVHC-NHTMILBNSA-N 1 0 504.641 6.128 40 0 KKABRO Cc1cc(OC[C@]2(CC(=O)N(C)Cc3ccccc3)CCC[N@H+](CCCc3ccccc3)C2)ccc1Cl ZINC000257260483 572312024 /nfs/dbraw/zinc/31/20/24/572312024.db2.gz LDAMBIIRTUMIED-YTTGMZPUSA-N 1 0 519.129 6.791 40 0 KKABRO C[NH+](C)CCCN(Cc1ccc(F)cc1)C(=O)C[C@@H]1CC[C@@H]2[C@@H](O1)c1cc(OCc3ccccc3)ccc1OC2(C)C ZINC000257262408 572312236 /nfs/dbraw/zinc/31/22/36/572312236.db2.gz LLGSVFMFCUIITN-VJKSVHRDSA-N 1 0 574.737 6.783 40 0 KKABRO C[NH+]1CCN(Cc2cccc(-c3cn(C(=O)OC(C)(C)C)nc3[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)c2)CC1 ZINC000257269751 572312838 /nfs/dbraw/zinc/31/28/38/572312838.db2.gz MRFKRRODHLPCEV-XMMPIXPASA-N 1 0 539.721 5.195 40 0 KKABRO CC(C)(C)n1ccc([C@@H]2C[C@@H](C(=O)Nc3cccc(OC(F)(F)F)c3)[NH2+][C@H]2c2ccc(Cl)c(F)c2)n1 ZINC000257269490 572312859 /nfs/dbraw/zinc/31/28/59/572312859.db2.gz MQGAFPUDGGHSJI-HSQYWUDLSA-N 1 0 524.946 6.155 40 0 KKABRO CC(C)(C)n1ccc([C@H]2C[C@@H](C(=O)NC34CC5(C)CC(C)(CC(C)(C5)C3)C4)[NH2+][C@H]2c2ccc(Cl)c(F)c2)n1 ZINC000257277642 572313666 /nfs/dbraw/zinc/31/36/66/572313666.db2.gz NYVANURBNNZNQY-VTTZVQCKSA-N 1 0 541.155 6.873 40 0 KKABRO CN(C)Cc1ccc(C(=O)N2CC[C@@H]3[C@H](C2)[C@@H](c2ccc(F)cc2F)C[N@@H+]3Cc2ccc(Cl)cc2)o1 ZINC000257294349 572315289 /nfs/dbraw/zinc/31/52/89/572315289.db2.gz QTSGWNLFYLMVQR-DGWZTRNLSA-N 1 0 514.016 5.403 40 0 KKABRO CC1CC[NH+](CC(=O)N2CCC[C@](COc3cccc(Cl)c3)(CC(=O)N(C)Cc3ccccc3)C2)CC1 ZINC000257299728 572315750 /nfs/dbraw/zinc/31/57/50/572315750.db2.gz RRHGZPRPKIXGHK-PMERELPUSA-N 1 0 526.121 5.108 40 0 KKABRO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@H+](CCc2c[nH]c3ccccc23)Cc2cccc(Br)c2)C1 ZINC000257302887 572316230 /nfs/dbraw/zinc/31/62/30/572316230.db2.gz SEVHXDSZCRSLHM-VSGBNLITSA-N 1 0 548.481 5.357 40 0 KKABRO CC(C)(C)c1csc(NC(=O)[C@@H]2C[C@H](c3ccn(C(C)(C)C)n3)[C@H](c3ccc(C(F)(F)F)cc3)[NH2+]2)n1 ZINC000257305383 572316322 /nfs/dbraw/zinc/31/63/22/572316322.db2.gz SPTJSKPSNMQRAH-LMNJBCLMSA-N 1 0 519.637 6.236 40 0 KKABRO Cc1nn(C)c(C)c1C[N@H+]1CCC[C@@](COc2ccc(Cl)c(C)c2)(CC(=O)N(C)Cc2ccccc2)C1 ZINC000257306202 572316470 /nfs/dbraw/zinc/31/64/70/572316470.db2.gz STGYWXZLCALEDW-SSEXGKCCSA-N 1 0 523.121 5.709 40 0 KKABRO Cc1cccc(C)c1C(OC[C@H](O)CNCC[NH2+]C[C@H](O)COC(c1c(C)cccc1C)c1c(C)cccc1C)c1c(C)cccc1C ZINC000100455346 1069697513 /nfs/dbraw/zinc/69/75/13/1069697513.db2.gz WBLGWFJIQSAYKO-TYHGNQNSSA-N 1 0 652.920 6.967 40 0 KKABRO CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)cc1 ZINC000102477568 1069704719 /nfs/dbraw/zinc/70/47/19/1069704719.db2.gz MDAYGOYWHZGAQJ-UHFFFAOYSA-N 1 0 544.655 6.715 40 0 KKABRO O=C(NC1CCCCC1)N1CC[NH+](C[C@@H](O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)CC1 ZINC000105345987 1069714908 /nfs/dbraw/zinc/71/49/08/1069714908.db2.gz ZZAMVSKKJIXYKP-OAQYLSRUSA-N 1 0 592.376 5.340 40 0 KKABRO COC(=O)c1ccc(N2CC[NH+](CC3=C(c4ccc(Cl)cc4)CC(C)(C)CC3)CC2)cc1Oc1cnc2[nH]ccc2c1 ZINC000114019552 1069722594 /nfs/dbraw/zinc/72/25/94/1069722594.db2.gz WTJICTJVHMECBX-UHFFFAOYSA-N 1 0 585.148 7.581 40 0 KKABRO C=C1[NH+]=C(SCc2ccc(Br)cc2)N[C@H](c2cccc(Br)c2)C1C(=O)OCC ZINC000409337222 1070858328 /nfs/dbraw/zinc/85/83/28/1070858328.db2.gz RQZBDUCHZHRGQY-LJQANCHMSA-N 1 0 524.278 5.982 40 0 KKABRO C=C1[NH+]=C(SCc2ccc(Br)cc2)N[C@@H](c2cccc(Br)c2)C1C(=O)OCC ZINC000409337220 1070858739 /nfs/dbraw/zinc/85/87/39/1070858739.db2.gz RQZBDUCHZHRGQY-IBGZPJMESA-N 1 0 524.278 5.982 40 0 KKABRO Cc1cc(C)n(CCOc2ccc(C[NH2+][C@H]3CCC[C@H]4N(C(=O)OC(C)(C)C)[C@@H](c5ccc(F)cc5)C[C@@]4(C)[C@@H]3O)cc2)n1 ZINC000585270747 1071017757 /nfs/dbraw/zinc/01/77/57/1071017757.db2.gz QAEXRXNYUXHDQQ-VXAGWYNOSA-N 1 0 606.783 6.478 40 0 KKABRO COc1ccc(C[N@@H+]2CCC[C@](O)(COc3ccc(Cl)c(Cl)c3)CC2)cc1OCCn1ccnc1C ZINC000585270099 1071020527 /nfs/dbraw/zinc/02/05/27/1071020527.db2.gz BUTFBEFNHAGAKS-HHHXNRCGSA-N 1 0 534.484 5.382 40 0 KKABRO COCCOc1cc(C[NH2+][C@H]2CCC[C@H]3N(C(=O)OC(C)(C)C)[C@@H](c4ccc(F)cc4)C[C@@]3(C)[C@@H]2O)ccc1OC ZINC000585270307 1071019466 /nfs/dbraw/zinc/01/94/66/1071019466.db2.gz UIVMMBPHWHXOSB-FOUGBLKKSA-N 1 0 572.718 5.620 40 0 KKABRO COCC[N@@H+](Cc1ccc(OCCn2nc(C)cc2C)cc1)C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000585270044 1071022186 /nfs/dbraw/zinc/02/21/86/1071022186.db2.gz CXKANFVZCKXUJZ-HHHXNRCGSA-N 1 0 526.681 5.196 40 0 KKABRO CCc1nccn1CCOc1ccc(C[NH+]2CCC(O)(COc3ccc(Cl)c(Cl)c3)CC2)cc1OC ZINC000585271762 1071023127 /nfs/dbraw/zinc/02/31/27/1071023127.db2.gz NUICOCXLGYHMGC-UHFFFAOYSA-N 1 0 534.484 5.246 40 0 KKABRO COC1(COc2ccc(Cl)c(Cl)c2)CC[NH+](Cc2cccc(OCCCN3CCCC3=O)c2)CC1 ZINC000585271808 1071023544 /nfs/dbraw/zinc/02/35/44/1071023544.db2.gz OSBNFVJCXUGGGP-UHFFFAOYSA-N 1 0 521.485 5.445 40 0 KKABRO O[C@@]1(COc2ccc(Cl)c(Cl)c2)CCC[N@H+](Cc2ccc(OCCCn3cccn3)cc2)CC1 ZINC000585271535 1071024304 /nfs/dbraw/zinc/02/43/04/1071024304.db2.gz AKCXPMQPJAHKEZ-SANMLTNESA-N 1 0 504.458 5.455 40 0 KKABRO COc1cc(C[N@@H+]2CCC[C@@](O)(COc3ccc(Cl)c(Cl)c3)CC2)ccc1OCCn1ccnc1 ZINC000585271207 1071025236 /nfs/dbraw/zinc/02/52/36/1071025236.db2.gz LKTUCKDXFMLOOM-SANMLTNESA-N 1 0 520.457 5.074 40 0 KKABRO COc1cc(C[NH+]2CCC(COc3ccc(Cl)c(Cl)c3)(OC)CC2)ccc1OCCn1cc(C)cn1 ZINC000585271146 1071025293 /nfs/dbraw/zinc/02/52/93/1071025293.db2.gz KEGGXQUSBPOESF-UHFFFAOYSA-N 1 0 534.484 5.646 40 0 KKABRO CCc1nccn1CCCOc1cc(C[N@@H+]2CCC[C@@](COc3ccccc3F)(OC)CC2)ccc1OC ZINC000585271175 1071025490 /nfs/dbraw/zinc/02/54/90/1071025490.db2.gz KWNPKYGPWLTXKD-SSEXGKCCSA-N 1 0 525.665 5.512 40 0 KKABRO COc1ccc(C[NH+]2CCC(COc3ccc(Cl)c(Cl)c3)(OC)CC2)cc1OCCn1ccnc1C ZINC000585270207 1071020804 /nfs/dbraw/zinc/02/08/04/1071020804.db2.gz CWWJTSSOISJBJQ-UHFFFAOYSA-N 1 0 534.484 5.646 40 0 KKABRO Cc1ccc(Cl)c(OC[C@@]2(O)CCC[N@@H+](Cc3ccc(OCCn4c5ccccc5n(C)c4=O)cc3)CC2)c1 ZINC000585274199 1071031167 /nfs/dbraw/zinc/03/11/67/1071031167.db2.gz UADSAUWGVIZPOO-WJOKGBTCSA-N 1 0 550.099 5.177 40 0 KKABRO COc1cc(C[NH+]2CCC(COc3cccc(Cl)c3)(OC)CC2)ccc1OCCCn1cc(C)cn1 ZINC000585273308 1071029924 /nfs/dbraw/zinc/02/99/24/1071029924.db2.gz BTBWSZMOAWPDNV-UHFFFAOYSA-N 1 0 514.066 5.383 40 0 KKABRO Cc1cc(C)n(CCOc2cccc(C[N@@H+]3CCC[C@](O)(COc4ccc(Cl)c(Cl)c4)CC3)c2)n1 ZINC000585273068 1071029940 /nfs/dbraw/zinc/02/99/40/1071029940.db2.gz QQHOAAHNHJLSEE-HHHXNRCGSA-N 1 0 518.485 5.682 40 0 KKABRO COc1ccc(C[N@@H+]2CCC[C@@](O)(COc3cc(C)c(Cl)c(C)c3)C2)cc1OCCCn1cccn1 ZINC000585274630 1071030668 /nfs/dbraw/zinc/03/06/68/1071030668.db2.gz LPCGBZCRXOIISR-NDEPHWFRSA-N 1 0 514.066 5.037 40 0 KKABRO CCc1nccn1CCCOc1cc(C[NH+]2CCC(O)(COc3cc(C)ccc3Cl)CC2)ccc1OC ZINC000585272657 1071028547 /nfs/dbraw/zinc/02/85/47/1071028547.db2.gz VGVMUDHMKFSGMC-UHFFFAOYSA-N 1 0 528.093 5.291 40 0 KKABRO Cc1ccn(CCCOc2ccc(C[N@@H+]3CCC[C@@](O)(COc4ccc(Cl)c(Cl)c4)CC3)cc2)n1 ZINC000585274096 1071031686 /nfs/dbraw/zinc/03/16/86/1071031686.db2.gz RFMFDONXKXCOLR-MHZLTWQESA-N 1 0 518.485 5.763 40 0 KKABRO COc1cc(C[N@@H+]2CCC[C@@](O)(COc3ccc(Cl)c(Cl)c3)CC2)ccc1OCCCn1cc(C)cn1 ZINC000585274345 1071031818 /nfs/dbraw/zinc/03/18/18/1071031818.db2.gz JFSJSZDTFUBTMZ-NDEPHWFRSA-N 1 0 548.511 5.772 40 0 KKABRO CO[C@@]1(COc2ccc(C)cc2)CCC[N@H+](Cc2ccc(OCCn3c4ccccc4n(C)c3=O)cc2)CC1 ZINC000585272061 1071032197 /nfs/dbraw/zinc/03/21/97/1071032197.db2.gz FFWALEICWLVFKY-YTTGMZPUSA-N 1 0 529.681 5.178 40 0 KKABRO CO[C@@]1(COc2ccccc2F)CCC[N@H+](Cc2ccc(OCCCn3cc(C)ccc3=O)cc2)CC1 ZINC000585280296 1071036460 /nfs/dbraw/zinc/03/64/60/1071036460.db2.gz MGZBKPKQRSXYLY-PMERELPUSA-N 1 0 508.634 5.215 40 0 KKABRO Cc1nccn1CCOc1cccc(C[N@@H+]2CCC[C@](O)(COc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000585273448 1071034477 /nfs/dbraw/zinc/03/44/77/1071034477.db2.gz RKYROOTXNXFNTL-AREMUKBSSA-N 1 0 504.458 5.373 40 0 KKABRO COc1ccc(C[N@@H+]2CCC[C@](COc3ccccc3F)(OC)CC2)cc1OCCCn1cc(C)cn1 ZINC000585275096 1071035134 /nfs/dbraw/zinc/03/51/34/1071035134.db2.gz WGWOQLLKPFIHQK-LJAQVGFWSA-N 1 0 511.638 5.258 40 0 KKABRO COc1cc(C[NH+]2CCC(COc3ccc(C)cc3C)(OC)CC2)ccc1OCCCN1CCCCCC1=O ZINC000585280982 1071037040 /nfs/dbraw/zinc/03/70/40/1071037040.db2.gz USWULNYKCMSYPA-UHFFFAOYSA-N 1 0 538.729 5.544 40 0 KKABRO CCCc1nc2sc(C)c(C)c2c(NC2CC[NH+](Cc3ccc(OCCN4CCOCC4)cc3)CC2)n1 ZINC000585295399 1071044463 /nfs/dbraw/zinc/04/44/63/1071044463.db2.gz YDAWJQLTHKAMHR-UHFFFAOYSA-N 1 0 523.747 5.048 40 0 KKABRO CC1(C)Cc2c(sc3ncnc(NC4CC[NH+](Cc5ccc(OCCCn6cccn6)cc5)CC4)c23)CO1 ZINC000585292694 1071045024 /nfs/dbraw/zinc/04/50/24/1071045024.db2.gz NMGXFHOBECHUTE-UHFFFAOYSA-N 1 0 532.714 5.285 40 0 KKABRO CCCc1nc2sc(C)c(C)c2c(NC2CC[NH+](Cc3ccc(OC)c(Cn4ccnc4C)c3)CC2)n1 ZINC000585295169 1071047064 /nfs/dbraw/zinc/04/70/64/1071047064.db2.gz OEIAYWCYFFKHQS-UHFFFAOYSA-N 1 0 518.731 5.899 40 0 KKABRO CCCc1nc2sc(C)c(C)c2c(NC2CC[NH+](Cc3ccc(OC)c(Cc4c(C)n[nH]c4C)c3)CC2)n1 ZINC000585293840 1071047084 /nfs/dbraw/zinc/04/70/84/1071047084.db2.gz AVROTTWSGBWXCE-UHFFFAOYSA-N 1 0 532.758 6.276 40 0 KKABRO CC(C)[C@@H]1C[C@H](c2ccccc2Cl)CO[C@H]1c1cccc(OCC(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000585295171 1071047164 /nfs/dbraw/zinc/04/71/64/1071047164.db2.gz OGLTUNHIVSIJHS-IHZCURHOSA-N 1 0 561.166 7.861 40 0 KKABRO O=C(Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)c1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000408926798 1071070926 /nfs/dbraw/zinc/07/09/26/1071070926.db2.gz QWUHUJDXFMWTFQ-UHFFFAOYSA-N 1 0 608.686 6.076 40 0 KKABRO O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000408926804 1071071286 /nfs/dbraw/zinc/07/12/86/1071071286.db2.gz RAHOGMUNJMLIGL-UHFFFAOYSA-N 1 0 608.591 7.501 40 0 KKABRO Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(CN4CC[NH+](Cc5ccccc5)CC4)cc3)cc2)c(C)c1 ZINC000408927666 1071192278 /nfs/dbraw/zinc/19/22/78/1071192278.db2.gz YWSOIDURYVPFSE-UHFFFAOYSA-N 1 0 568.743 5.674 40 0 KKABRO Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000408710402 1071507029 /nfs/dbraw/zinc/50/70/29/1071507029.db2.gz JPMLHSORJSADLA-UHFFFAOYSA-N 1 0 532.493 5.953 40 0 KKABRO Cc1ccccc1C[NH+]1CCC(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3Cl)cc2)CC1 ZINC000408710426 1071507816 /nfs/dbraw/zinc/50/78/16/1071507816.db2.gz YXILXMBFNYUNNK-UHFFFAOYSA-N 1 0 532.493 5.953 40 0 KKABRO Cc1cccc(C[NH+]2CCC(C(=O)Nc3ccc(S(=O)(=O)Nc4cc(Cl)cc(Cl)c4)cc3)CC2)c1 ZINC000408710417 1071507890 /nfs/dbraw/zinc/50/78/90/1071507890.db2.gz SIIRFBRTFQOPLJ-UHFFFAOYSA-N 1 0 532.493 5.953 40 0 KKABRO O=C(Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000408710393 1071509553 /nfs/dbraw/zinc/50/95/53/1071509553.db2.gz CYHSZGZCVHXVEA-UHFFFAOYSA-N 1 0 535.563 5.496 40 0 KKABRO O=[N+](/C(=C\N(O)c1c(Br)cc(F)cc1Br)c1ccccc1)c1c(Br)cc(F)cc1Br ZINC000408710397 1071509730 /nfs/dbraw/zinc/50/97/30/1071509730.db2.gz NOIPVGGFGSVEKX-ZDLGFXPLSA-N 1 0 668.932 8.320 40 0 KKABRO CC1(C)COCCC[C@H]2C[N@H+](Cc3ccccc3C(F)(F)F)CC[C@H]2CC(=O)N(CC2CCC(F)(F)CC2)C[C@@H]1O ZINC001534612505 1073172078 /nfs/dbraw/zinc/17/20/78/1073172078.db2.gz HMPFWSAAWHJOOQ-DPZBCOQUSA-N 1 0 588.702 6.385 40 0 KKABRO CC1(C)COCCC[C@H]2C[N@H+](Cc3ccc4c(c3)OCCO4)CC[C@H]2CC(=O)N(CC2CCC(F)(F)CC2)C[C@@H]1O ZINC001534612636 1073172467 /nfs/dbraw/zinc/17/24/67/1073172467.db2.gz JHZOIYWSJAMWAC-ZEZDXWPOSA-N 1 0 578.741 5.138 40 0 KKABRO COc1ccc(CCN2C[C@H](O)C(C)(C)COCCC[C@H]3C[N@H+](CCCc4ccccc4)CC[C@H]3CC2=O)cc1 ZINC001534613691 1073172781 /nfs/dbraw/zinc/17/27/81/1073172781.db2.gz WIXIMPWKGUJKSU-GCRSFRQPSA-N 1 0 550.784 5.225 40 0 KKABRO COc1ccccc1C[N@@H+]1CC[C@H]2CC(=O)N(CC3CCC(F)(F)CC3)C[C@H](O)C(C)(C)COCCC[C@H]2C1 ZINC001534613507 1073173070 /nfs/dbraw/zinc/17/30/70/1073173070.db2.gz VKBMJAGFXMMXAV-VBOOUTDYSA-N 1 0 550.731 5.375 40 0 KKABRO COc1ccc([C@H](CNC(=O)C[C@H](c2cc(OC)c(OC)c(OC)c2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)[NH+](C)C)cc1 ZINC001547139272 1073185488 /nfs/dbraw/zinc/18/54/88/1073185488.db2.gz UQDHAXVIYNZCGX-FXZLDBAYSA-N 1 0 732.871 6.555 40 0 KKABRO COc1ccc([C@H](CC(=O)NCC[NH+]2CCCC2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc1 ZINC001547205998 1073190560 /nfs/dbraw/zinc/19/05/60/1073190560.db2.gz WURHYRMBUAHIOE-FIPFOOKPSA-N 1 0 592.733 5.322 40 0 KKABRO Cc1[nH]c(/C=C2/C(=O)Nc3ccc(S(=O)(=O)Cc4c(Cl)cccc4Cl)cc32)c(C)c1C(=O)N1CCCC1C[NH+]1CCCC1 ZINC001560410219 1073196209 /nfs/dbraw/zinc/19/62/09/1073196209.db2.gz OBKSCYUXPAWMRS-LFVJCYFKSA-N 1 0 640.613 6.269 40 0 KKABRO CC[C@H](c1nnnn1Cc1ccc(F)cc1)N(Cc1cccs1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374285 551653492 /nfs/dbraw/zinc/65/34/92/551653492.db2.gz GNAOTGOFMBZUQJ-RUZDIDTESA-N 1 0 502.619 5.225 40 0 KKABRO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)N(Cc1ccc(C)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374493 551654052 /nfs/dbraw/zinc/65/40/52/551654052.db2.gz NPGNPHYNOJYQEE-LJAQVGFWSA-N 1 0 538.652 5.042 40 0 KKABRO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)N(Cc1cccs1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000001375451 551656971 /nfs/dbraw/zinc/65/69/71/551656971.db2.gz OXKSTPHJCWPQKW-SANMLTNESA-N 1 0 528.682 5.403 40 0 KKABRO CC[C@H](c1nnnn1C(C)(C)CC)N(Cc1ccc2c(c1)OCO2)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000001375413 551656987 /nfs/dbraw/zinc/65/69/87/551656987.db2.gz QBMKMYQZOIHPPM-HSZRJFAPSA-N 1 0 516.646 5.159 40 0 KKABRO CCCC[NH+](CCCC)C[C@H](O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2c(Cl)cc(Cl)cc12 ZINC000001703589 551689962 /nfs/dbraw/zinc/68/99/62/551689962.db2.gz PGLJCSZNFGDTFZ-DEOSSOPVSA-N 1 0 514.324 8.451 40 0 KKABRO COc1ccc([C@@H]2C[C@H](OC(=O)CCc3ccc(OCc4ccccc4)cc3)C[C@H]3CCCC[N@@H+]32)cc1OCc1ccccc1 ZINC000004268322 552455119 /nfs/dbraw/zinc/45/51/19/552455119.db2.gz IHLCKJQSLDCITQ-VWXDNAKMSA-N 1 0 605.775 8.087 40 0 KKABRO O=C(CCCNC(=O)OCc1ccccc1)NCCCCCC[NH2+]CCCCCCNC(=O)CCCNC(=O)OCc1ccccc1 ZINC000004963444 552490507 /nfs/dbraw/zinc/49/05/07/552490507.db2.gz VAHYJDSPUCKPLQ-UHFFFAOYSA-N 1 0 653.865 5.342 40 0 KKABRO CCN1c2c(ccc3ccccc23)S/C1=C\C=C/C=C\C=C/c1sc2ccc3ccccc3c2[n+]1CC ZINC000005390119 552500574 /nfs/dbraw/zinc/50/05/74/552500574.db2.gz LRHBWLRWTFPMSF-UHFFFAOYSA-N 1 0 517.743 9.114 40 0 KKABRO CCOC(=O)c1c(=O)n(-c2ccccc2)c(=S)n(-c2ccccc2)c1SCCC[NH+]1CCCCC1 ZINC000005733623 552508092 /nfs/dbraw/zinc/50/80/92/552508092.db2.gz MZTJFHYIAUDHQK-UHFFFAOYSA-N 1 0 509.697 5.502 40 0 KKABRO CN1CN(c2ccccc2)C2(CC[NH+](CCCSc3ccccc3NC(=O)/C=C/c3ccccc3)CC2)C1=O ZINC000005741638 552508391 /nfs/dbraw/zinc/50/83/91/552508391.db2.gz QIJLCVBYLJQOPG-ISLYRVAYSA-N 1 0 540.733 5.591 40 0 KKABRO CC[NH+](CC)CCCN(C(=O)c1ccc(Br)cc1)c1nc(-c2ccc(OC)cc2)cs1 ZINC000006511300 552597289 /nfs/dbraw/zinc/59/72/89/552597289.db2.gz UEAVAZMVBUWWQR-UHFFFAOYSA-N 1 0 502.478 5.960 40 0 KKABRO CC[NH+](CC)CCN(C(=O)c1ccc(-c2ccccc2)[nH]1)[C@@H](C(=O)NC1CCCCC1)c1ccc(F)cc1 ZINC000006511828 552597522 /nfs/dbraw/zinc/59/75/22/552597522.db2.gz VAFIKIUGWBKCFQ-GDLZYMKVSA-N 1 0 518.677 5.795 40 0 KKABRO COc1ccc(-c2cc([C@H]3C[N@@H+]4CC[C@H]3C[C@@H]4COC(=O)Nc3ccc(C(C)=O)cc3)nc(C)n2)cc1 ZINC000008622831 553103415 /nfs/dbraw/zinc/10/34/15/553103415.db2.gz IGVFERQHIOCLMV-FBILRYNDSA-N 1 0 500.599 5.090 40 0 biogenic,in-vitro KKABRO CC(C)CC[NH+](CCC(C)C)C[C@@H](O)c1cc(-c2ccc(C(F)(F)F)cc2)nc(-c2ccc(C(F)(F)F)cc2)c1 ZINC000008648977 553107304 /nfs/dbraw/zinc/10/73/04/553107304.db2.gz KAHLMJHIWBNMTH-GDLZYMKVSA-N 1 0 566.630 8.881 40 0 KKABRO CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)C3CC[NH+](Cc4ccccc4Cl)CC3)cc2)cc1 ZINC000009063240 553205243 /nfs/dbraw/zinc/20/52/43/553205243.db2.gz KAUQRJJQQUVRGA-UHFFFAOYSA-N 1 0 528.074 5.390 40 0 KKABRO Cc1ccccc1C[NH+]1CCC(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc4ccccc43)cc2)CC1 ZINC000009062937 553205266 /nfs/dbraw/zinc/20/52/66/553205266.db2.gz FUKISHWSNNNKAD-UHFFFAOYSA-N 1 0 513.663 5.800 40 0 KKABRO Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NC(=O)C2CC[NH+](Cc3ccccc3F)CC2)cc1 ZINC000009063515 553205556 /nfs/dbraw/zinc/20/55/56/553205556.db2.gz NTDCQINNWSPWIX-UHFFFAOYSA-N 1 0 516.038 5.439 40 0 KKABRO COc1cc(C[N@@H+]2CCC[C@@H](C(=O)N3CCC(Cc4ccccc4)CC3)C2)ccc1OCc1ccccc1 ZINC000009933456 553317146 /nfs/dbraw/zinc/31/71/46/553317146.db2.gz BOBJCZAECZTXTK-SSEXGKCCSA-N 1 0 512.694 5.968 40 0 KKABRO CCc1cc([C@@H](c2ccc(Cl)cc2)[NH+]2CCC(Cc3ccccc3)CC2)c(NC(=O)c2ccccc2)s1 ZINC000012290309 553356769 /nfs/dbraw/zinc/35/67/69/553356769.db2.gz HQRIDSOBWNGPKD-SSEXGKCCSA-N 1 0 529.149 8.260 40 0 KKABRO O=C(NC1CCCCC1)[C@@H](c1ccc(F)cc1)N(Cc1ccccc1)C(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC000012705328 553415683 /nfs/dbraw/zinc/41/56/83/553415683.db2.gz QXULYRSLZAVJNK-SSEXGKCCSA-N 1 0 531.672 6.237 40 0 KKABRO CC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCCC1 ZINC000013064418 553444015 /nfs/dbraw/zinc/44/40/15/553444015.db2.gz OLMORLSXVWXXAQ-DEOSSOPVSA-N 1 0 506.651 5.077 40 0 KKABRO CC[C@H](c1nnnn1Cc1ccccc1)N(Cc1ccc(OC)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495113 553461329 /nfs/dbraw/zinc/46/13/29/553461329.db2.gz IIQCQHZIIDTWAG-HHHXNRCGSA-N 1 0 508.626 5.033 40 0 KKABRO Cc1cc2cc(CN(Cc3cccs3)[C@@H](c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c2cc1C ZINC000013498964 553464997 /nfs/dbraw/zinc/46/49/97/553464997.db2.gz CVLFMLFTZHNTRU-RUZDIDTESA-N 1 0 502.644 5.234 40 0 KKABRO Cc1sc(NC(=O)C[N@@H+](C)C2CCCCC2)nc1-c1ccc2c(c1)CCN2C(=O)c1ccc(F)cc1 ZINC000013565008 553472635 /nfs/dbraw/zinc/47/26/35/553472635.db2.gz CBRLSCRXAWHOCF-UHFFFAOYSA-N 1 0 506.647 5.664 40 0 KKABRO Cc1sc(NC(=O)C[N@@H+](C)C2CCCCC2)nc1-c1ccc2c(c1)CCN2C(=O)c1ccc(C)cc1 ZINC000013565004 553472750 /nfs/dbraw/zinc/47/27/50/553472750.db2.gz VGXTXRIVFDOJNS-UHFFFAOYSA-N 1 0 502.684 5.833 40 0 KKABRO CCOC(=O)C1CC[NH+]([C@@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)c2ccc(OC)cc2)CC1 ZINC000015441040 553533308 /nfs/dbraw/zinc/53/33/08/553533308.db2.gz RYBZQSSVKQIOAF-AREMUKBSSA-N 1 0 506.668 5.990 40 0 KKABRO COc1cc(C[NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)cc(Br)c1OCc1ccc(F)cc1 ZINC000016605760 553568793 /nfs/dbraw/zinc/56/87/93/553568793.db2.gz YZZKNVNMKFSBQA-WXIHSGNDSA-N 1 0 502.468 7.014 40 0 KKABRO COc1cc(C[NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000016605753 553568821 /nfs/dbraw/zinc/56/88/21/553568821.db2.gz BATKSRXSLWRDPK-WXIHSGNDSA-N 1 0 518.923 7.529 40 0 KKABRO CCOc1cc(C[NH2+][C@H](C)C23CC4CC(CC(C4)C2)C3)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000016688420 553573095 /nfs/dbraw/zinc/57/30/95/553573095.db2.gz ZCSODCDBZKJSKA-KVLZVTGASA-N 1 0 532.950 7.775 40 0 KKABRO CCOc1cc(C[NH2+]CCc2ccc(OC)c(OC)c2)cc(Br)c1OCc1ccccc1F ZINC000016688725 553573264 /nfs/dbraw/zinc/57/32/64/553573264.db2.gz UXRLPFKWLRVWSM-UHFFFAOYSA-N 1 0 518.423 5.915 40 0 KKABRO COc1c(-c2ccccc2)sc2nc(-c3ccccc3)cc(/C=C/C=C3\N(C)c4ccccc4C3(C)C)[n+]21 ZINC000016693736 553573903 /nfs/dbraw/zinc/57/39/03/553573903.db2.gz MLJYKBUVHJACBZ-UHFFFAOYSA-N 1 0 516.690 7.549 40 0 KKABRO COc1cc(C[NH2+][C@H](C)C23CC4CC(CC(C4)C2)C3)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000022073685 553725432 /nfs/dbraw/zinc/72/54/32/553725432.db2.gz MWTMRDSWVWIYLG-UYTITELCSA-N 1 0 508.917 7.929 40 0 KKABRO CCOc1cc(C[NH2+]C23CC4CC(CC(C4)C2)C3)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000022073802 553725762 /nfs/dbraw/zinc/72/57/62/553725762.db2.gz USQYKCNNXRHLPK-UHFFFAOYSA-N 1 0 504.896 7.139 40 0 KKABRO Clc1ccc(COc2ccc(C[NH2+]CCCSc3nnnn3-c3ccccc3)cc2)c(Cl)c1 ZINC000022108779 553726020 /nfs/dbraw/zinc/72/60/20/553726020.db2.gz YGALOMUEMXLRDE-UHFFFAOYSA-N 1 0 500.455 5.820 40 0 KKABRO COc1cc(C[NH2+]CCSc2nnnn2-c2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000022108063 553726041 /nfs/dbraw/zinc/72/60/41/553726041.db2.gz RTPSLUUXXMBBQZ-UHFFFAOYSA-N 1 0 516.454 5.439 40 0 KKABRO Clc1ccc(COc2ccc3ccccc3c2C[NH2+]CCCSc2nnnn2-c2ccccc2)cc1 ZINC000022108827 553726111 /nfs/dbraw/zinc/72/61/11/553726111.db2.gz IQEHNFCXFALGRQ-UHFFFAOYSA-N 1 0 516.070 6.320 40 0 KKABRO CCOc1cc(C[NH2+]CCCSc2nnnn2C)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000022109296 553726459 /nfs/dbraw/zinc/72/64/59/553726459.db2.gz HBSBRAYLDPQJNR-UHFFFAOYSA-N 1 0 516.882 5.420 40 0 KKABRO Brc1ccc(OCc2ccccc2)c(C[NH2+]CCCSc2nnnn2-c2ccccc2)c1 ZINC000022108900 553726560 /nfs/dbraw/zinc/72/65/60/553726560.db2.gz LXFSUVRJHJANDY-UHFFFAOYSA-N 1 0 510.461 5.276 40 0 KKABRO COc1cc(CCN2CC[NH+](CCCCOc3ccccc3[C@@]3(C(C)C)Sc4ccccc4N(C)C3=O)CC2)cc(OC)c1OC ZINC000022463062 553742631 /nfs/dbraw/zinc/74/26/31/553742631.db2.gz JSLZUBLGGPEVQN-DIPNUNPCSA-N 1 0 647.882 6.352 40 0 in-man KKABRO COc1cc2c3cc1Oc1c(OC)c(OC)c(OC)c4c1[C@@H](Cc1cc(O)c(OC)c(c1)Oc1ccc(cc1)C[C@@H]3[N@H+](C)CC2)N(C)CC4 ZINC000096316272 553749451 /nfs/dbraw/zinc/74/94/51/553749451.db2.gz VSPLVBAGDNRNHN-URLMMPGGSA-N 1 0 668.787 6.877 40 0 biogenic,in-vitro KKABRO Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)cc12 ZINC000022870324 553765350 /nfs/dbraw/zinc/76/53/50/553765350.db2.gz NYHMSPVYKGEDKG-XIFFEERXSA-N 1 0 573.745 5.743 40 0 KKABRO CCOc1cc(C[NH2+]CCN2CCOCC2)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000023471925 553786863 /nfs/dbraw/zinc/78/68/63/553786863.db2.gz FBJKDGYCNOBHNE-UHFFFAOYSA-N 1 0 518.279 5.155 40 0 KKABRO COc1ccc(CCNC(=O)c2ccccc2NC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)cc1OC ZINC000030758248 553857186 /nfs/dbraw/zinc/85/71/86/553857186.db2.gz RGWJUYQERUUUDF-UHFFFAOYSA-N 1 0 515.654 5.161 40 0 KKABRO CN1c2ccc3ccccc3c2C(C)(C)/C1=C\C=C1/CCC(/C=C/C2=[N+](C)c3ccc4ccccc4c3C2(C)C)=C1Cl ZINC000100074059 554203134 /nfs/dbraw/zinc/20/31/34/554203134.db2.gz ZJRZDZWVBRKJLC-UHFFFAOYSA-N 1 0 570.200 10.080 40 0 KKABRO C[C@H]1CCC=C2C[C@H]3OC(=O)[C@H](C[NH+]4CCN([C@@H](c5ccccc5)c5ccc(Cl)cc5)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000036369522 554224344 /nfs/dbraw/zinc/22/43/44/554224344.db2.gz FGXQERORDNVKRX-MBYNIDPQSA-N 1 0 535.128 5.332 40 0 KKABRO COc1ccc(OC)c(-c2csc(N(CCC[NH+](C)C)C(=O)c3cc4c(C)nn(-c5ccccc5)c4s3)n2)c1 ZINC000100271891 554270041 /nfs/dbraw/zinc/27/00/41/554270041.db2.gz NUDJNLIOZWIEQF-UHFFFAOYSA-N 1 0 561.733 6.135 40 0 KKABRO O=C([C@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000038858030 554278265 /nfs/dbraw/zinc/27/82/65/554278265.db2.gz QLIJSTZWDOAJCE-VWLOTQADSA-N 1 0 522.520 6.139 40 0 KKABRO Cc1cccc(C[NH+]2CCC(C(=O)Nc3ccc(S(=O)(=O)Nc4cccc(Cl)c4C)cc3)CC2)c1 ZINC000039767283 554280705 /nfs/dbraw/zinc/28/07/05/554280705.db2.gz OJGUFUYSVFDJOT-UHFFFAOYSA-N 1 0 512.075 5.608 40 0 KKABRO O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000039768641 554281052 /nfs/dbraw/zinc/28/10/52/554281052.db2.gz BSPICOMQIJNYKZ-UHFFFAOYSA-N 1 0 502.011 5.131 40 0 KKABRO COc1cc(C)c(Sc2cnc(NC(=O)c3ccc(C[NH2+][C@H](C)C(C)C)cc3)s2)cc1C(=O)N1CCN(C(C)=O)CC1 ZINC000100319276 554304210 /nfs/dbraw/zinc/30/42/10/554304210.db2.gz RRHONYZEMUNMJX-OAQYLSRUSA-N 1 0 609.818 5.302 40 0 KKABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c2ccc(C(C)C)cc2)cc1 ZINC000044857267 554305562 /nfs/dbraw/zinc/30/55/62/554305562.db2.gz CUSPUPBMZAZDBN-UHFFFAOYSA-N 1 0 519.711 5.226 40 0 KKABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c2ccc(C)c(C)c2)cc1 ZINC000044873627 554306503 /nfs/dbraw/zinc/30/65/03/554306503.db2.gz QGAPLBSSEBLPCX-UHFFFAOYSA-N 1 0 519.711 5.109 40 0 KKABRO Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)NCc3ccc(C[NH+]4CCCCC4)cc3)ccc2C)c1 ZINC000044874278 554307037 /nfs/dbraw/zinc/30/70/37/554307037.db2.gz KSAZVINLTXVSSW-UHFFFAOYSA-N 1 0 505.684 5.329 40 0 KKABRO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)N(CCc1ccccc1C)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000100376885 554360197 /nfs/dbraw/zinc/36/01/97/554360197.db2.gz AHWIJHQWMKKXCF-LJAQVGFWSA-N 1 0 538.671 5.823 40 0 KKABRO CC[C@H](c1nnnn1C1CCCCC1)N(Cc1ccc(F)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000057641135 554361543 /nfs/dbraw/zinc/36/15/43/554361543.db2.gz VBNGQSIRRHCUKZ-AREMUKBSSA-N 1 0 504.610 5.321 40 0 KKABRO O=C(/C=C/c1ccc(Cl)cc1Cl)NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000059331806 554391388 /nfs/dbraw/zinc/39/13/88/554391388.db2.gz VWVKRBRBFWAPSD-NTUHNPAUSA-N 1 0 525.505 5.842 40 0 KKABRO O=C(NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)C(c1ccccc1)c1ccccc1 ZINC000059331805 554391415 /nfs/dbraw/zinc/39/14/15/554391415.db2.gz PVITWDQBWHSSRN-UHFFFAOYSA-N 1 0 520.702 5.654 40 0 KKABRO Cc1ncc(C(=O)N(C)C)c([C@H]2CC[C@H](C[NH+](CCOc3ccc(F)cc3)CCOc3ccc(F)cc3)CC2)n1 ZINC000100492670 554403025 /nfs/dbraw/zinc/40/30/25/554403025.db2.gz SKDGSIGRQNMXNH-PSWAGMNNSA-N 1 0 552.666 5.499 40 0 KKABRO Cc1c(Br)cc2c(c1Br)OCC(CN1CCC[C@H](C)C1)(C[N@@H+]1CCC[C@H](C)C1)C2=O ZINC000059608887 554411685 /nfs/dbraw/zinc/41/16/85/554411685.db2.gz WDTMDVAXGLOIFW-IRXDYDNUSA-N 1 0 542.356 5.545 40 0 KKABRO Cc1cccc2c1NC(=O)[C@]21[N@@H+]2CCC[C@@H]2[C@@H](C(=O)c2ccc3ccccc3c2)[C@@]12c1ccccc1NC2=O ZINC000059796309 554430776 /nfs/dbraw/zinc/43/07/76/554430776.db2.gz HTVNOZMEKLYJJG-RJYGDKEGSA-N 1 0 513.597 5.163 40 0 KKABRO O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000059886584 554467064 /nfs/dbraw/zinc/46/70/64/554467064.db2.gz CXKHYZDBRPTJIG-UHFFFAOYSA-N 1 0 532.065 5.951 40 0 KKABRO COc1cc2c(cc1OC)CN(C(=O)C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(-c3ccc(C(C)(C)C)cc3)on1)CC2 ZINC000067878764 554534115 /nfs/dbraw/zinc/53/41/15/554534115.db2.gz BSRKUMOEJPYXLN-UPVQGACJSA-N 1 0 531.697 5.400 40 0 biogenic,in-vitro KKABRO CC1(C)[C@H](Cc2cc(COc3ccccc3)on2)C[C@@H]1[NH+](Cc1ccc(CO)o1)Cc1ccc(CO)o1 ZINC000067889704 554534923 /nfs/dbraw/zinc/53/49/23/554534923.db2.gz ZBRULLFLQWQCJL-NGOKVRLYSA-N 1 0 506.599 5.084 40 0 biogenic,in-vitro KKABRO Cc1ccc(S[C@]2(C[NH+]3CCCCC3)COc3c(Br)cc(Br)cc3C2=O)cc1 ZINC000100954819 554538891 /nfs/dbraw/zinc/53/88/91/554538891.db2.gz QYFIVAQGGQYEBW-JOCHJYFZSA-N 1 0 525.306 6.112 40 0 KKABRO Cc1c(Br)cc2c(c1Br)OC[C@@](C[N@H+]1CCC[C@H](C)C1)(Sc1ccccc1)C2=O ZINC000100972301 554544467 /nfs/dbraw/zinc/54/44/67/554544467.db2.gz OUUCQJLMIWZHLA-NPMXOYFQSA-N 1 0 539.333 6.358 40 0 KKABRO Clc1cccc(-n2cc(-c3ccccc3)c3c2ncnc3N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000100994332 554550514 /nfs/dbraw/zinc/55/05/14/554550514.db2.gz QEZGAYNIFODVDH-UHFFFAOYSA-N 1 0 556.113 7.653 40 0 KKABRO CCOc1cc(C[NH2+]CCCSc2nnnn2-c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000102558666 554966254 /nfs/dbraw/zinc/96/62/54/554966254.db2.gz NFHKMPWMZQHAIX-UHFFFAOYSA-N 1 0 544.508 6.219 40 0 KKABRO CCOc1cc(C[NH2+]CCSc2nnnn2-c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000102559310 554966449 /nfs/dbraw/zinc/96/64/49/554966449.db2.gz HCHVACCQOWGOLM-UHFFFAOYSA-N 1 0 530.481 5.829 40 0 KKABRO COc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccccc3OC)[C@@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN23)cc1OC ZINC000103532637 555432902 /nfs/dbraw/zinc/43/29/02/555432902.db2.gz OREUHWJXLLJEAM-LRXFEKEMSA-N 1 0 586.644 5.694 40 0 KKABRO CCOc1ccccc1C(=O)[C@H]1[C@H](C(=O)c2ccc(Cl)cc2Cl)N2C=Cc3ccccc3[C@@H]2[C@]12C(=O)Nc1ccccc12 ZINC000103535310 555435079 /nfs/dbraw/zinc/43/50/79/555435079.db2.gz ALXHJQCNRVTVDH-GYEXEWKGSA-N 1 0 609.509 7.374 40 0 KKABRO COc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc(CC(C)C)cc3)[C@]3(c4ccccc4NC3=O)[C@H]3c4ccccc4C=CN23)cc1 ZINC000103535888 555435613 /nfs/dbraw/zinc/43/56/13/555435613.db2.gz ZNGZJSUDQYPYSO-HDHDNLQWSA-N 1 0 582.700 6.875 40 0 KKABRO O=C(c1ccc(Cl)cc1Cl)[C@H]1[C@@H]2CCCN2[C@]2(C(=O)Nc3c2cccc3Cl)[C@@]12C(=O)Nc1ccccc12 ZINC000103536545 555435875 /nfs/dbraw/zinc/43/58/75/555435875.db2.gz KTRQPGCQCLNHPI-ZMRCCQFYSA-N 1 0 552.845 5.661 40 0 KKABRO COc1cccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc(OC)cc3OC)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN23)c1 ZINC000103537947 555436597 /nfs/dbraw/zinc/43/65/97/555436597.db2.gz GJKPHDMNCVZQEB-XMFJDCMESA-N 1 0 586.644 5.694 40 0 KKABRO COc1cc2c3cc1Oc1c(OC)c(OC)c(OC)c4c1[C@H](Cc1cc(O)c(OC)c(c1)Oc1ccc(cc1)C[C@H]3[N@H+](C)CC2)N(C)CC4 ZINC000253393407 565211577 /nfs/dbraw/zinc/21/15/77/565211577.db2.gz VSPLVBAGDNRNHN-WDYNHAJCSA-N 1 0 668.787 6.877 40 0 biogenic,in-vitro KKABRO O=C(c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000103895357 571368856 /nfs/dbraw/zinc/36/88/56/571368856.db2.gz PFPMDAVWFMCIKB-UHFFFAOYSA-N 1 0 543.755 6.689 40 0 KKABRO CN1CN(c2ccccc2)C2(CC[NH+](CCCSc3ccccc3NC(=O)/C=C\c3ccccc3)CC2)C1=O ZINC000104307735 571378820 /nfs/dbraw/zinc/37/88/20/571378820.db2.gz QIJLCVBYLJQOPG-ZCXUNETKSA-N 1 0 540.733 5.591 40 0 KKABRO O=C(NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1cc(I)ccc1Cl ZINC000104908032 571387191 /nfs/dbraw/zinc/38/71/91/571387191.db2.gz JVNOCOFYOFKWPG-UHFFFAOYSA-N 1 0 590.918 5.394 40 0 KKABRO CCOc1cc(C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)cc(Br)c1OCc1ccccc1Cl ZINC000105251926 571392316 /nfs/dbraw/zinc/39/23/16/571392316.db2.gz GSYAYGHZNCARKD-UHFFFAOYSA-N 1 0 553.906 5.060 40 0 KKABRO CCOc1cc(C[NH2+]CCc2ccccc2F)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000105251991 571392461 /nfs/dbraw/zinc/39/24/61/571392461.db2.gz KMNSUAFZDPIBEH-UHFFFAOYSA-N 1 0 527.261 7.205 40 0 KKABRO COc1c(Br)c2ccccc2cc1C(=O)NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000105318491 571400920 /nfs/dbraw/zinc/40/09/20/571400920.db2.gz HGOJOGQWPSKHRQ-UHFFFAOYSA-N 1 0 589.559 6.060 40 0 KKABRO Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4Cl)cc3)CC2)cc1 ZINC000108506434 571425984 /nfs/dbraw/zinc/42/59/84/571425984.db2.gz PFLROLZKBASILH-UHFFFAOYSA-N 1 0 532.493 5.953 40 0 KKABRO O=C(Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000108538738 571426167 /nfs/dbraw/zinc/42/61/67/571426167.db2.gz SQMZBSUFQYIOHN-UHFFFAOYSA-N 1 0 552.911 6.298 40 0 KKABRO COCC[NH2+]Cc1ccc(-c2cc3nccc(Oc4ccc(NC(=S)NC(=O)Cc5ccc(F)cc5)cc4F)c3s2)nc1 ZINC000113139653 571438586 /nfs/dbraw/zinc/43/85/86/571438586.db2.gz YRCHYHRCBXNYNU-UHFFFAOYSA-N 1 0 619.719 6.221 40 0 investigational KKABRO CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H]([NH+]4CCCCC4)C=C4C[C@@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118926380 571447126 /nfs/dbraw/zinc/44/71/26/571447126.db2.gz XSWCEFIPJIPPPW-FBZJEMJGSA-N 1 0 573.906 9.718 40 0 KKABRO O=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000139848929 571453998 /nfs/dbraw/zinc/45/39/98/571453998.db2.gz RUDHLRJLPBIRKC-UHFFFAOYSA-N 1 0 532.493 5.101 40 0 KKABRO Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1)S(=O)(=O)c1ccccc1 ZINC000139856109 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ZINC000224833465 571621540 /nfs/dbraw/zinc/62/15/40/571621540.db2.gz GBKIOKKYQYJZOH-UHFFFAOYSA-N 1 0 583.754 6.285 40 0 KKABRO O=C(COc1ccccc1)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cc[nH+]cc2)cc1 ZINC000225065747 571643589 /nfs/dbraw/zinc/64/35/89/571643589.db2.gz PWMSVRCVMRDLMA-KYJUHHDHSA-N 1 0 546.656 5.462 40 0 KKABRO O=C(COc1ccccc1)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cc[nH+]cc2)cc1 ZINC000225065840 571643611 /nfs/dbraw/zinc/64/36/11/571643611.db2.gz PWMSVRCVMRDLMA-XZWHSSHBSA-N 1 0 546.656 5.462 40 0 KKABRO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1CCC[NH+]1CCOCC1 ZINC000225341083 571700436 /nfs/dbraw/zinc/70/04/36/571700436.db2.gz XFKPMSYZLZBUHI-VMPREFPWSA-N 1 0 533.742 5.187 40 0 KKABRO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1CCC[NH+]1CCOCC1 ZINC000225367045 571731164 /nfs/dbraw/zinc/73/11/64/571731164.db2.gz LFEGCCAZKIOKPE-FIRIVFDPSA-N 1 0 559.780 5.721 40 0 KKABRO 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Cc1cc(OC[C@@]2(CC(=O)N(C)Cc3ccccc3)CCC[N@H+](Cc3ccc4[nH]ccc4c3)C2)ccc1Cl ZINC000257208667 572307132 /nfs/dbraw/zinc/30/71/32/572307132.db2.gz BNCVKIRNRMVIOQ-JGCGQSQUSA-N 1 0 530.112 6.840 40 0 KKABRO CC(C)(C)n1ccc([C@H]2C[C@@H](C(=O)NC34CC5CC(CC(C5)C3)C4)[NH2+][C@H]2c2ccc(C(F)(F)F)cc2)n1 ZINC000257216297 572307923 /nfs/dbraw/zinc/30/79/23/572307923.db2.gz CTWZGRQDNVLHOE-HCBLDIDUSA-N 1 0 514.636 5.929 40 0 KKABRO Cc1ccsc1C[N@H+]1CCC[C@@](COc2ccc(Cl)c(C)c2)(CC(=O)N(C)Cc2ccccc2)C1 ZINC000257220002 572308177 /nfs/dbraw/zinc/30/81/77/572308177.db2.gz DJDVRXODTUVXAK-GDLZYMKVSA-N 1 0 511.131 6.728 40 0 KKABRO CC(C)=CCC[C@@]1(C)Oc2c(OCC[NH+]3CCCC3)cccc2[C@H]2O[C@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3C[C@@H]21 ZINC000257218854 572308209 /nfs/dbraw/zinc/30/82/09/572308209.db2.gz DEPMXBYPJBOEBP-VNZUPGOQSA-N 1 0 554.772 6.762 40 0 KKABRO CC(C)(C)C1CCC(NC(=O)[C@@H]2C[C@@H](c3ccn(C(C)(C)C)n3)[C@H](c3cccc(C(F)(F)F)c3)[NH2+]2)CC1 ZINC000257224176 572308616 /nfs/dbraw/zinc/30/86/16/572308616.db2.gz FAPSXCQXSDFRHN-KOIUSHDPSA-N 1 0 518.668 6.565 40 0 KKABRO Cc1cc(OC[C@]2(CC(=O)N(C)Cc3ccccc3)CCC[N@H+](Cc3cn(C)c4ccccc34)C2)ccc1Cl ZINC000257246560 572310702 /nfs/dbraw/zinc/31/07/02/572310702.db2.gz IURHQEOOOWEHNV-XIFFEERXSA-N 1 0 544.139 6.850 40 0 KKABRO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@H+](CCc2c[nH]c3ccccc23)Cc2cc(Br)ccc2F)C1 ZINC000257247874 572310730 /nfs/dbraw/zinc/31/07/30/572310730.db2.gz JAYCUZNKXLZYAI-VSGBNLITSA-N 1 0 566.471 5.496 40 0 KKABRO CC(C)(C)C1CCN(C(=O)[C@@H]2C[C@@H](c3ccn(C(C)(C)C)n3)[C@H](c3cccc(C(F)(F)F)c3)[NH2+]2)CC1 ZINC000257250615 572311070 /nfs/dbraw/zinc/31/10/70/572311070.db2.gz JNHMPBGNVZNVHC-XWGVYQGASA-N 1 0 504.641 6.128 40 0 KKABRO CC(C)[NH+]1CCC(C(=O)N2CCC[C@@](COc3cccc(Cl)c3)(CC(=O)N(C)Cc3ccccc3)C2)CC1 ZINC000257257618 572311838 /nfs/dbraw/zinc/31/18/38/572311838.db2.gz KQKUNGVFFFKOQN-WJOKGBTCSA-N 1 0 540.148 5.497 40 0 KKABRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)C[C@@H]1CC[C@@H]2[C@@H](O1)c1cc(-c3ccccc3)ccc1OC2(C)C ZINC000257260739 572312127 /nfs/dbraw/zinc/31/21/27/572312127.db2.gz LEDJMOBTJYWDOB-QRFYVXOVSA-N 1 0 530.684 6.481 40 0 KKABRO CCCn1cc(C[N@@H+]2CCC[C@@](COc3ccc(Cl)c(C)c3)(CC(=O)N(C)Cc3ccccc3)C2)c2ccccc21 ZINC000257263209 572312363 /nfs/dbraw/zinc/31/23/63/572312363.db2.gz LOXDDXOPBOTVLG-PGUFJCEWSA-N 1 0 572.193 7.723 40 0 KKABRO CC(=O)N[C@]12C[N@H+](Cc3c(C)[nH]c4ccc(F)cc43)[C@H](c3ccccc3)[C@H]1CN(C(=O)OC(C)(C)C)CC2 ZINC000257264306 572312480 /nfs/dbraw/zinc/31/24/80/572312480.db2.gz LTVKEWSWOAPLEP-OGBYTVIASA-N 1 0 520.649 5.304 40 0 KKABRO Cc1cc(OC[C@]2(CC(=O)N3CCOCC3)CCC[N@H+](Cc3cccc(OC(F)(F)F)c3)C2)ccc1Cl ZINC000257268468 572312772 /nfs/dbraw/zinc/31/27/72/572312772.db2.gz MLUKBTIJVLHCRV-SANMLTNESA-N 1 0 541.010 5.457 40 0 KKABRO COC(=O)[C@@H]1C[C@@H]2[C@@H](O[C@@H]1Cc1ccc(F)cc1)c1ccc(OCC[NH2+]Cc3ccccc3)cc1OC2(C)C ZINC000257274610 572313223 /nfs/dbraw/zinc/31/32/23/572313223.db2.gz NLVRGYQJMUVFJX-KMPDWKOJSA-N 1 0 533.640 5.643 40 0 KKABRO CCCn1cc(C[N@@H+]2CCC[C@](COc3ccc(Cl)c(C)c3)(CC(=O)N(C)Cc3ccccc3)C2)cn1 ZINC000257275716 572313375 /nfs/dbraw/zinc/31/33/75/572313375.db2.gz NQPXFVMCBFWURO-PMERELPUSA-N 1 0 523.121 5.965 40 0 KKABRO COc1ccc(C[N@@H+]2CCC[C@](COc3ccc(Cl)c(C)c3)(CC(=O)N(C)Cc3ccccc3)C2)cc1CO ZINC000257285088 572314353 /nfs/dbraw/zinc/31/43/53/572314353.db2.gz PFOZVPPDPONOPB-YTTGMZPUSA-N 1 0 551.127 5.859 40 0 KKABRO COc1ccc(C[N@@H+]2CCC[C@](COc3ccc(Cl)c(C)c3)(CC(=O)N(C)Cc3ccccc3)C2)cc1O ZINC000257286021 572314440 /nfs/dbraw/zinc/31/44/40/572314440.db2.gz PJWFANJBHDJHJU-HKBQPEDESA-N 1 0 537.100 6.073 40 0 KKABRO CC(C)[NH+]1CCC(C(=O)N2CC[C@H](Oc3cccc(Cl)c3)[C@@H](CC(=O)N(C)Cc3ccccc3)C2)CC1 ZINC000257296778 572315518 /nfs/dbraw/zinc/31/55/18/572315518.db2.gz REIZCUMVGXVEDL-LSYYVWMOSA-N 1 0 526.121 5.105 40 0 KKABRO CC(C)(C)n1ccc([C@@H]2C[C@@H](C(=O)Nc3ccc(OC(F)(F)F)cc3)[NH2+][C@H]2c2ccc(Cl)cc2)n1 ZINC000257300060 572315899 /nfs/dbraw/zinc/31/58/99/572315899.db2.gz RSSPLUKFJZSIDE-BVSLBCMMSA-N 1 0 506.956 6.016 40 0 KKABRO CC(C)=CCC[C@@]1(C)Oc2c(OCCCC[NH3+])cccc2[C@H]2O[C@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3C[C@@H]21 ZINC000257300204 572315926 /nfs/dbraw/zinc/31/59/26/572315926.db2.gz RTISELUUWOXTKN-NOOVNOLFSA-N 1 0 528.734 6.405 40 0 KKABRO CC(C)(C)n1ccc([C@@H]2C[C@@H](C(=O)N3CCC4(C3)CCCCC4)[NH2+][C@H]2c2ccc(C(F)(F)F)cc2)n1 ZINC000257311733 572316971 /nfs/dbraw/zinc/31/69/71/572316971.db2.gz UKTZYHUEJNATKL-XWGVYQGASA-N 1 0 502.625 6.027 40 0 KKABRO CC(C)Oc1cccc(NC(=O)[C@@H]2C[C@H](c3ccn(C(C)(C)C)n3)[C@H](c3cccc(C(F)(F)F)c3)[NH2+]2)c1 ZINC000257313603 572317139 /nfs/dbraw/zinc/31/71/39/572317139.db2.gz UTIDDVLOUSFANG-VJTSUQJLSA-N 1 0 514.592 6.270 40 0 KKABRO CC(C)=CCOc1cc2c(cc1CN(CCC[NH+](C)C)Cc1ccc(F)cc1)OC(C)(C)[C@H]1CC[C@H](C)O[C@H]21 ZINC000257317012 572317501 /nfs/dbraw/zinc/31/75/01/572317501.db2.gz VHYYQBNJTUJRFN-OMLWRBBXSA-N 1 0 538.748 7.152 40 0 KKABRO CC(C)n1cc(C[NH+]2CCC(COc3ccccc3)(CC(=O)N(C)Cc3ccccc3)CC2)c2ccccc21 ZINC000257343252 572320241 /nfs/dbraw/zinc/32/02/41/572320241.db2.gz ZSDIHKGVCLHRKR-UHFFFAOYSA-N 1 0 523.721 6.932 40 0 KKABRO O[C@@H](Cn1c2ccc(Br)cc2c2cc(Br)ccc21)CN1CC[NH+](C[C@H](O)Cn2c3ccccc3c3ccccc32)CC1 ZINC000067997817 1069681556 /nfs/dbraw/zinc/68/15/56/1069681556.db2.gz NYNOXQKYMUGVGH-IZZNHLLZSA-N 1 0 690.480 6.467 40 0 KKABRO Cc1ccn(CCOc2ccc(C[N@@H+]3CCC[C@](O)(COc4ccc(Cl)c(Cl)c4)CC3)cc2)n1 ZINC000585271781 1069818258 /nfs/dbraw/zinc/81/82/58/1069818258.db2.gz CTRJWTWWBBBINS-AREMUKBSSA-N 1 0 504.458 5.373 40 0 KKABRO C=C1[NH+]=C(SCc2ccc(Cl)cc2Cl)N[C@@H](c2cccc(Br)c2)C1C(=O)OCC ZINC000408985778 1070346416 /nfs/dbraw/zinc/34/64/16/1070346416.db2.gz AWSZYVGVVZBQEZ-IBGZPJMESA-N 1 0 514.272 6.527 40 0 KKABRO Cc1noc(C)c1COc1ccc(C[N@H+](CCCO)C[C@H](O)Cn2c3ccccc3c3ccccc32)cc1 ZINC000585269646 1071016902 /nfs/dbraw/zinc/01/69/02/1071016902.db2.gz GBDNKSYXHHBHMQ-VWLOTQADSA-N 1 0 513.638 5.224 40 0 KKABRO CCc1nccn1CCOc1cc(C[N@@H+]2CCC[C@@](O)(COc3cc(C)c(Cl)c(C)c3)C2)ccc1OC ZINC000585272144 1071017266 /nfs/dbraw/zinc/01/72/66/1071017266.db2.gz PXDVZIXZKSPNMI-LJAQVGFWSA-N 1 0 528.093 5.209 40 0 KKABRO COc1ccc(C[N@@H+]2CCC[C@](O)(COc3ccc(Cl)c(Cl)c3)CC2)cc1OCCn1cc(C)cn1 ZINC000585270715 1071017499 /nfs/dbraw/zinc/01/74/99/1071017499.db2.gz IMLUCRSECCQJQO-HHHXNRCGSA-N 1 0 534.484 5.382 40 0 KKABRO O=C1CCCN1CCCOc1ccc(C[N@H+]2CCC[C@](O)(COc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000585270090 1071021965 /nfs/dbraw/zinc/02/19/65/1071021965.db2.gz DUDKHCFPIPZAKZ-HHHXNRCGSA-N 1 0 521.485 5.181 40 0 KKABRO CCc1nccn1CCCOc1cc(C[N@@H+]2CCC[C@](O)(COc3cc(C)c(Cl)c(C)c3)C2)ccc1OC ZINC000585270211 1071022454 /nfs/dbraw/zinc/02/24/54/1071022454.db2.gz CWWWOIJHLUMOJT-SSEXGKCCSA-N 1 0 542.120 5.599 40 0 KKABRO Cc1cc(C)n(CCCOc2cccc(C[N@@H+]3CCC[C@@](O)(COc4ccc(Cl)c(Cl)c4)CC3)c2)n1 ZINC000585271035 1071025969 /nfs/dbraw/zinc/02/59/69/1071025969.db2.gz FMUXPWSPECGEBS-NDEPHWFRSA-N 1 0 532.512 6.072 40 0 KKABRO CCc1nccn1CCCOc1cc(C[N@@H+]2CCC[C@](COc3ccccc3F)(OC)CC2)ccc1OC ZINC000585271174 1071025355 /nfs/dbraw/zinc/02/53/55/1071025355.db2.gz KWNPKYGPWLTXKD-PMERELPUSA-N 1 0 525.665 5.512 40 0 KKABRO COc1cc(C[N@@H+]2CCC[C@@](O)(COc3ccc(Cl)c(Cl)c3)CC2)ccc1OCCCn1ccnc1 ZINC000585270158 1071020857 /nfs/dbraw/zinc/02/08/57/1071020857.db2.gz CNEQJJPBQQEHMR-MHZLTWQESA-N 1 0 534.484 5.464 40 0 KKABRO COC1(COc2ccc(Cl)c(Cl)c2)CC[NH+](Cc2ccc(OCCn3cc(C)cn3)cc2)CC1 ZINC000585274606 1071031121 /nfs/dbraw/zinc/03/11/21/1071031121.db2.gz XOTBCTNYZXNHHZ-UHFFFAOYSA-N 1 0 504.458 5.637 40 0 KKABRO CCc1nccn1CCCOc1cccc(C[NH+]2CCC(COc3ccc(Cl)c(Cl)c3)(OC)CC2)c1 ZINC000585273047 1071029981 /nfs/dbraw/zinc/02/99/81/1071029981.db2.gz NAHNHGNJYNRLTB-UHFFFAOYSA-N 1 0 532.512 6.281 40 0 KKABRO COc1cc(C[NH+]2CCC(COc3cccc(Cl)c3)(OC)CC2)ccc1OCCCn1cccn1 ZINC000585274826 1071030571 /nfs/dbraw/zinc/03/05/71/1071030571.db2.gz OTSAXXQXXCCBHL-UHFFFAOYSA-N 1 0 500.039 5.074 40 0 KKABRO COc1cc(C[NH+]2CCC(COc3ccc(C)cc3C)(OC)CC2)ccc1OCCCn1ccnc1C ZINC000585272242 1071027920 /nfs/dbraw/zinc/02/79/20/1071027920.db2.gz RMRGRGMSSLWQKD-UHFFFAOYSA-N 1 0 507.675 5.346 40 0 KKABRO COc1ccc(C[N@@H+]2CCC[C@](O)(COc3ccc(Cl)c(Cl)c3)CC2)cc1OCCCn1ccnc1 ZINC000585272282 1071032277 /nfs/dbraw/zinc/03/22/77/1071032277.db2.gz RWOJSHAVGDLSOE-HHHXNRCGSA-N 1 0 534.484 5.464 40 0 KKABRO COc1ccc(C[N@@H+]2CCC[C@](O)(COc3ccc(Cl)c(Cl)c3)CC2)cc1OCCCn1cccn1 ZINC000585273800 1071033148 /nfs/dbraw/zinc/03/31/48/1071033148.db2.gz FBUUGLISFQAZBK-HHHXNRCGSA-N 1 0 534.484 5.464 40 0 KKABRO COc1ccc(C[NH+]2CCC(O)(COc3ccc(Cl)c(Cl)c3)CC2)cc1OCCCN1CCCCCC1=O ZINC000585278835 1071034589 /nfs/dbraw/zinc/03/45/89/1071034589.db2.gz AIAQLNGDFODHIG-UHFFFAOYSA-N 1 0 565.538 5.579 40 0 KKABRO Cc1cc(OC[C@]2(O)CCC[N@H+](Cc3ccc(OCCCN4CCCCC4=O)cc3)C2)cc(C)c1Cl ZINC000585279934 1071037897 /nfs/dbraw/zinc/03/78/97/1071037897.db2.gz HXNFMZFRMILHDZ-LJAQVGFWSA-N 1 0 515.094 5.144 40 0 KKABRO COc1cc(C[N@@H+]2CCC[C@@](COc3ccccc3F)(OC)CC2)ccc1OCCCN1CCCCCC1=O ZINC000585279912 1071037949 /nfs/dbraw/zinc/03/79/49/1071037949.db2.gz HGPPGHWZLJQDIB-WJOKGBTCSA-N 1 0 542.692 5.456 40 0 KKABRO COC1(COc2ccc(Cl)c(Cl)c2)CC[NH+](Cc2ccc(OCCn3cc(Cl)cn3)cc2)CC1 ZINC000585279117 1071038855 /nfs/dbraw/zinc/03/88/55/1071038855.db2.gz CXLGYTKVNIYITB-UHFFFAOYSA-N 1 0 524.876 5.982 40 0 KKABRO O=C(NCCSCc1ccc(Cl)c(Cl)c1)c1ccc(C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000408924111 1071085129 /nfs/dbraw/zinc/08/51/29/1071085129.db2.gz OAJYHKNOCQNJJE-UHFFFAOYSA-N 1 0 514.522 5.979 40 0 KKABRO Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C[NH+]4CCN(c5ccccc5)CC4)cc3)cc2)c1 ZINC000408923120 1071088205 /nfs/dbraw/zinc/08/82/05/1071088205.db2.gz AAUJGPHTHKBPLB-UHFFFAOYSA-N 1 0 540.689 5.370 40 0 KKABRO COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C[NH+]4CCC(Cc5ccccc5)CC4)cc3)cc2)cc1 ZINC000408920580 1071103702 /nfs/dbraw/zinc/10/37/02/1071103702.db2.gz JFSMTMABTPRLTI-UHFFFAOYSA-N 1 0 569.727 6.203 40 0 KKABRO CC(C)Oc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccc(Cl)cc3)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000102370220 1071306864 /nfs/dbraw/zinc/30/68/64/1071306864.db2.gz GATDCOANDSLCMG-LRXFEKEMSA-N 1 0 589.091 7.109 40 0 KKABRO O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000408711203 1071500889 /nfs/dbraw/zinc/50/08/89/1071500889.db2.gz HTMSOHSCVTTYRO-UHFFFAOYSA-N 1 0 528.472 5.488 40 0 KKABRO C=C1[NH+]=C(SCC(=O)Nc2cccc(Cl)c2C)N[C@H](c2cccc(Br)c2)C1C(=O)OCC ZINC000408985225 1071501949 /nfs/dbraw/zinc/50/19/49/1071501949.db2.gz AHVORUIEXGJADD-OAQYLSRUSA-N 1 0 536.879 5.620 40 0 KKABRO O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000408710428 1071507826 /nfs/dbraw/zinc/50/78/26/1071507826.db2.gz ZKZOISOFKAUFKR-UHFFFAOYSA-N 1 0 546.462 5.240 40 0 KKABRO Cc1cccc(C[NH+]2CCC(C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(Br)cc4)cc3)CC2)c1 ZINC000408710395 1071509463 /nfs/dbraw/zinc/50/94/63/1071509463.db2.gz DFWBWPDNXNCFTK-UHFFFAOYSA-N 1 0 542.499 5.409 40 0 KKABRO C=C1[NH+]=C(SCC(=O)Nc2cc(C)cc(C)c2)N[C@@H](c2cccc(Br)c2)C1C(=O)OCC ZINC000408991957 1071576242 /nfs/dbraw/zinc/57/62/42/1071576242.db2.gz RUFROVZARMVAOC-QFIPXVFZSA-N 1 0 516.461 5.275 40 0 KKABRO COc1cc([C@@H](CC(=O)NCc2c3c(c(OC)c4c2CC[N@H+](C)C4)OCO3)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc(OC)c1OC ZINC001547139099 1073184298 /nfs/dbraw/zinc/18/42/98/1073184298.db2.gz JOJZUXJZKFSQTL-PWUYWRBVSA-N 1 0 788.891 6.169 40 0 KKABRO COc1cc2c3c(c1)C(C[NH+]1CCCCC1)=CC(C)(C)N3C(=O)C21N(Cc2ccccc2)CCN1Cc1ccccc1 ZINC001554503145 1073193001 /nfs/dbraw/zinc/19/30/01/1073193001.db2.gz JJNCYUNTMGDIAR-UHFFFAOYSA-N 1 0 562.758 5.874 40 0 KKABRO COc1ccccc1C[NH2+][C@H]1CC(C)(C)[C@@H]2C[C@@](C)(O)CC[C@]12CCC(=O)NCCc1c[nH]c2ccccc12 ZINC000067889646 291983060 /nfs/dbraw/zinc/98/30/60/291983060.db2.gz DHDJEKVYFXFQHW-IKFSTVPESA-N 1 0 531.741 5.741 40 0 biogenic,in-vitro KKABRO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)N(Cc1ccc(C)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374494 551654037 /nfs/dbraw/zinc/65/40/37/551654037.db2.gz NPGNPHYNOJYQEE-GDLZYMKVSA-N 1 0 538.652 5.042 40 0 KKABRO CC[C@@H](c1nnnn1Cc1ccccc1)N(Cc1ccc(C)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374489 551654046 /nfs/dbraw/zinc/65/40/46/551654046.db2.gz QAAHJUWSTAISNV-NDEPHWFRSA-N 1 0 508.626 5.033 40 0 KKABRO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)N(Cc1ccc(C)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374497 551654085 /nfs/dbraw/zinc/65/40/85/551654085.db2.gz KZALWDYSJUWKFW-NDEPHWFRSA-N 1 0 526.616 5.173 40 0 KKABRO CC[C@H](c1nnnn1Cc1ccc(F)cc1)N(Cc1ccc(F)cc1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000001374948 551655620 /nfs/dbraw/zinc/65/56/20/551655620.db2.gz ARMYRWJMOJDVDP-AREMUKBSSA-N 1 0 560.605 5.012 40 0 KKABRO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)N(Cc1cccs1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000001375294 551656508 /nfs/dbraw/zinc/65/65/08/551656508.db2.gz LGOIBCOWUHKNGM-HHHXNRCGSA-N 1 0 528.682 5.403 40 0 KKABRO CC[C@@H](c1nnnn1C1CCCC1)N(Cc1ccc2c(c1)OCO2)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000001375245 551656539 /nfs/dbraw/zinc/65/65/39/551656539.db2.gz QSTCREPKXBKXQT-VWLOTQADSA-N 1 0 514.630 5.129 40 0 KKABRO C[NH+](C)CCCN(c1nc(C(Cl)(Cl)Cl)ns1)c1nc(C(Cl)(Cl)Cl)ns1 ZINC000001567988 551684547 /nfs/dbraw/zinc/68/45/47/551684547.db2.gz DLMZIQPDKSYCNA-UHFFFAOYSA-N 1 0 505.111 5.133 40 0 KKABRO CC[NH+](CC)Cc1c(Br)c(-c2ccc(Br)cc2)oc1-c1ccc(Br)cc1 ZINC000001595074 551685581 /nfs/dbraw/zinc/68/55/81/551685581.db2.gz IAFBTKHKLYBNDI-UHFFFAOYSA-N 1 0 542.109 7.743 40 0 KKABRO CCCC[NH+](CCCC)C[C@H](O)c1cc(-c2c(Cl)cccc2Cl)nc2c(Cl)cc(Cl)cc12 ZINC000001726680 551690656 /nfs/dbraw/zinc/69/06/56/551690656.db2.gz ANHMYECALZBCMQ-QHCPKHFHSA-N 1 0 514.324 8.451 40 0 KKABRO CC1(C)[C@H]2CC[C@]1(C)C[N@H+](C[C@H](O)Cn1c3ccccc3c3cc(I)ccc31)C2 ZINC000006077233 552528495 /nfs/dbraw/zinc/52/84/95/552528495.db2.gz ONISKAOMGDOZDW-FXJWSJNKSA-N 1 0 502.440 5.518 40 0 KKABRO CC[NH+](CC)CCCN(Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)C(=S)Nc1ccc(C)cc1C ZINC000006078177 552529527 /nfs/dbraw/zinc/52/95/27/552529527.db2.gz PDFROXMHAISGTL-UHFFFAOYSA-N 1 0 510.704 5.093 40 0 KKABRO CC[NH+](CC)CCCN(C(=O)c1cc2c(C)nn(-c3ccccc3)c2s1)c1nc(-c2ccc(OC)cc2)cs1 ZINC000006511298 552597251 /nfs/dbraw/zinc/59/72/51/552597251.db2.gz VJCNJHGOAQKLSV-UHFFFAOYSA-N 1 0 559.761 6.906 40 0 KKABRO CCc1cc([C@H](c2ccc(OC)cc2)[NH+]2CCC(Cc3ccccc3)CC2)c(NC(=O)c2ccccc2)s1 ZINC000012290095 553356809 /nfs/dbraw/zinc/35/68/09/553356809.db2.gz NBMMNRFKCBMDPE-HKBQPEDESA-N 1 0 524.730 7.616 40 0 KKABRO CC1(C)C[C@H]([NH2+]Cc2ccccn2)[C@@]2(CCC(=O)NCCc3c[nH]c4ccccc34)CC[C@](C)(O)C[C@@H]12 ZINC000012490873 553380452 /nfs/dbraw/zinc/38/04/52/553380452.db2.gz IRKUMWQHYRTTKH-FXZOGHEHSA-N 1 0 502.703 5.128 40 0 biogenic,in-vitro KKABRO CCC(C)(C)n1nnnc1[C@@H](C(C)C)N(Cc1ccc(C)cc1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000013498828 553464919 /nfs/dbraw/zinc/46/49/19/553464919.db2.gz UHZLRJCQWACWQP-HHHXNRCGSA-N 1 0 532.689 5.385 40 0 KKABRO CCC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1cc2ccc(OC)cc2[nH]c1=O)C1CCCCC1 ZINC000013499378 553465443 /nfs/dbraw/zinc/46/54/43/553465443.db2.gz IHTIEPYSALKOPJ-NDEPHWFRSA-N 1 0 530.673 5.256 40 0 KKABRO Cc1sc(NC(=O)C[N@@H+](C)C2CCCCC2)nc1-c1ccc2c(c1)CCN2C(=O)c1cccc(C)c1 ZINC000013565012 553472594 /nfs/dbraw/zinc/47/25/94/553472594.db2.gz WSMVCMQKCXJCOU-UHFFFAOYSA-N 1 0 502.684 5.833 40 0 KKABRO Cc1nc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)[nH]c(=O)c1Cc1cccc2ccccc21 ZINC000014162207 553505524 /nfs/dbraw/zinc/50/55/24/553505524.db2.gz PACDZONJPLMTIA-UHFFFAOYSA-N 1 0 500.646 5.734 40 0 KKABRO CC(C)COc1ccc(C(=O)NC(=S)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)cc1 ZINC000014277174 553510073 /nfs/dbraw/zinc/51/00/73/553510073.db2.gz SOTLWSCXPAECEG-UHFFFAOYSA-N 1 0 502.684 5.170 40 0 KKABRO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000014291057 553511611 /nfs/dbraw/zinc/51/16/11/553511611.db2.gz PWKIHIZMXUNDOI-UHFFFAOYSA-N 1 0 506.433 6.828 40 0 KKABRO Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2ccc(F)cc2)[NH+]2CCC(Cc3ccccc3)CC2)c1C ZINC000015441094 553533337 /nfs/dbraw/zinc/53/33/37/553533337.db2.gz XCEPNJIBHPDJMO-SSEXGKCCSA-N 1 0 512.694 7.800 40 0 KKABRO COc1ccc(CC[NH2+]Cc2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)cc1OC ZINC000016227388 553557411 /nfs/dbraw/zinc/55/74/11/553557411.db2.gz CKQOUBRYSNICPI-UHFFFAOYSA-N 1 0 520.851 6.040 40 0 KKABRO C[C@@H]([NH2+]Cc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)C12CC3CC(CC(C3)C1)C2 ZINC000016576145 553568468 /nfs/dbraw/zinc/56/84/68/553568468.db2.gz PTPNCCSNEHOIQB-KRGUIMPISA-N 1 0 523.342 8.029 40 0 KKABRO CCOc1cc(C[NH2+]Cc2ccc3c(c2)OCO3)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000016688448 553573086 /nfs/dbraw/zinc/57/30/86/553573086.db2.gz KELDLBCZPQSCRQ-UHFFFAOYSA-N 1 0 504.808 6.099 40 0 KKABRO CCOc1cc(C[NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000016688422 553573098 /nfs/dbraw/zinc/57/30/98/553573098.db2.gz DLXVKSUHZYDJCZ-ILGMFUTISA-N 1 0 532.950 7.919 40 0 KKABRO C[C@H]1CC[C@@H]2[N@H+](C1)C[C@H]1[C@@H]3C[C@H]4[C@H](CC(=O)[C@H]5C[C@@H](OC(=O)c6ccco6)CC[C@]45C)[C@@H]3CC[C@@H]1[C@]2(C)O ZINC000070664528 553594686 /nfs/dbraw/zinc/59/46/86/553594686.db2.gz QDRWJGGEHHAYQU-XRZLBCKZSA-N 1 0 523.714 5.344 40 0 KKABRO C[C@@H]1[C@@H]2C[C@@H]3[C@@](C2)([C@@H]1O)[C@@H](OC(=O)c1ccccc1)C[C@@H]1[C@@]2(C)CCC[C@@]31C=[N+](CCOC(=O)c1ccccc1)C2 ZINC000070669947 553599506 /nfs/dbraw/zinc/59/95/06/553599506.db2.gz ZGJNBFONRAJFJM-MNDZHURYSA-N 1 0 556.723 5.386 40 0 KKABRO CCOc1ccc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2C[C@H]2C[C@H]3c4cc(OC)c(OC)cc4CC[N@@H+]3C[C@@H]2CC)cc1 ZINC000070670141 553600257 /nfs/dbraw/zinc/60/02/57/553600257.db2.gz KQLDASGMVSYSES-XTTIIZODSA-N 1 0 628.810 6.895 40 0 KKABRO C[C@H]1CCC=C2C[C@H]3OC(=O)[C@@H](C[NH+]4CCN([C@H](c5ccccc5)c5ccc(Cl)cc5)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000070681042 553604931 /nfs/dbraw/zinc/60/49/31/553604931.db2.gz FGXQERORDNVKRX-TUDMUFBPSA-N 1 0 535.128 5.332 40 0 KKABRO CC[C@H]1C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)c1ccc(OCC(C)C)cc1 ZINC000079204463 553669930 /nfs/dbraw/zinc/66/99/30/553669930.db2.gz IOJSFOKYYCHIOW-ZYWCCJJSSA-N 1 0 656.864 7.531 40 0 KKABRO Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C[N@@H+]4CCc5ccccc5C4)cc3)cc2)cc1C ZINC000020060771 553672518 /nfs/dbraw/zinc/67/25/18/553672518.db2.gz RUWAKYFDMPLYSO-UHFFFAOYSA-N 1 0 525.674 5.915 40 0 KKABRO CC[NH+](CC)Cc1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000020111272 553693734 /nfs/dbraw/zinc/69/37/34/553693734.db2.gz UQCVEQZBVLSMCN-UHFFFAOYSA-N 1 0 512.503 5.016 40 0 KKABRO O[C@@H](Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21)C[NH+]1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000022036217 553723225 /nfs/dbraw/zinc/72/32/25/553723225.db2.gz BICXAQOJMBZLJO-HSZRJFAPSA-N 1 0 542.510 6.850 40 0 KKABRO S=C(NCCCN1CC[NH+](CCCNC(=S)Nc2cccc3ccccc32)CC1)Nc1cccc2ccccc21 ZINC000022031879 553723342 /nfs/dbraw/zinc/72/33/42/553723342.db2.gz JTKYZIOCYUZSNI-UHFFFAOYSA-N 1 0 570.832 5.664 40 0 KKABRO NC(=O)[C@H]1C[N@H+](CCCCC(c2ccc(F)cc2)c2ccc(F)cc2)CCN1CC(=O)Nc1c(Cl)cc(N)cc1Cl ZINC000022447482 553742242 /nfs/dbraw/zinc/74/22/42/553742242.db2.gz IWMYIWLIESDFRZ-HHHXNRCGSA-N 1 0 604.529 5.266 40 0 in-man KKABRO Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000022525009 553744456 /nfs/dbraw/zinc/74/44/56/553744456.db2.gz PHWANNWIHRGODG-LJQANCHMSA-N 1 0 512.075 5.933 40 0 KKABRO COc1ccc(C(=O)[C@H]([C@@H](c2ccccc2)[N@@H+]2CCc3ccccc3C2)N2CCc3ccccc3C2)cc1 ZINC000022593917 553747910 /nfs/dbraw/zinc/74/79/10/553747910.db2.gz JKRLPKPFJZYJAE-SAIUNTKASA-N 1 0 502.658 6.104 40 0 KKABRO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)cc2c1 ZINC000022866317 553763414 /nfs/dbraw/zinc/76/34/14/553763414.db2.gz WNZXTJYZKCQEOB-DHUJRADRSA-N 1 0 611.750 5.458 40 0 KKABRO Cc1cc2cc([C@@H](c3nnnn3C3CCCC3)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c(=O)[nH]c2cc1C ZINC000022870114 553765035 /nfs/dbraw/zinc/76/50/35/553765035.db2.gz HQFPGDOMVXALHD-XIFFEERXSA-N 1 0 573.745 5.743 40 0 KKABRO Cc1ccc2cc([C@@H](c3nnnn3Cc3ccccc3)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c(=O)[nH]c2c1C ZINC000022872741 553765867 /nfs/dbraw/zinc/76/58/67/553765867.db2.gz AATVUTSIEGVYPD-DHUJRADRSA-N 1 0 595.751 5.676 40 0 KKABRO COc1ccc(CC[C@H]2[NH2+]CCc3cc(OCc4ccccc4)c(OC)cc32)cc1OCc1ccccc1 ZINC000025694502 553812918 /nfs/dbraw/zinc/81/29/18/553812918.db2.gz MMXMEXJMIQPFGC-GDLZYMKVSA-N 1 0 509.646 6.681 40 0 KKABRO c1c(CNCC[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccccc2)c(-c2ccccc2)nn1-c1ccccc1 ZINC000027987143 553836729 /nfs/dbraw/zinc/83/67/29/553836729.db2.gz ZXDVGXKUMQXRCV-UHFFFAOYSA-N 1 0 524.672 6.271 40 0 KKABRO Clc1ccccc1-c1nn(CCCC[NH+]2CCN(c3ccccc3)CC2)c2ccc(Br)cc21 ZINC000028048311 553837407 /nfs/dbraw/zinc/83/74/07/553837407.db2.gz GRCMBNOFUBQBNT-UHFFFAOYSA-N 1 0 523.906 6.722 40 0 KKABRO Cc1[nH]c(/C=C2/C(=O)Nc3ccc(S(=O)(=O)Cc4c(Cl)cccc4Cl)cc32)c(C)c1C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000033359845 553957364 /nfs/dbraw/zinc/95/73/64/553957364.db2.gz OYONTEXKYJZFHA-DOZBRYHWSA-N 1 0 641.621 6.105 40 0 in-vitro KKABRO COc1cc2c3c(c1O)-c1cc(OC)c(Oc4c(C[C@@H]5c6cc(OC)c(OC)cc6CC[N@H+]5C)ccc(OC)c4OC)cc1C[C@H]3CN(C)C2 ZINC000098003565 554055111 /nfs/dbraw/zinc/05/51/11/554055111.db2.gz GBCVQFRXHFMNCA-ABYGYWHVSA-N 1 0 682.814 6.760 40 0 KKABRO C[N@H+](Cc1cc(Br)cc(Br)c1NC(=O)c1ccc(Cn2cc(Br)cn2)o1)C1CCCCC1 ZINC000098045865 554134154 /nfs/dbraw/zinc/13/41/54/554134154.db2.gz QLQMUJYLLDZUQE-UHFFFAOYSA-N 1 0 629.191 6.829 40 0 KKABRO OCC(CO)[NH2+][C@H]1C[C@](O)(CCc2ccccc2)[C@@H](Cc2ccccc2)[C@H](Cc2ccccc2)[C@@H]1Cc1ccccc1 ZINC000100071754 554201721 /nfs/dbraw/zinc/20/17/21/554201721.db2.gz FUJYFVMTHDIVAX-IZWQFLKYSA-N 1 0 563.782 5.642 40 0 in-vitro KKABRO O=C(NC1CCCCC1)[C@H](c1ccc(F)cc1)N(C(=O)c1ccc(CN2CCOCC2)o1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000100275501 554271905 /nfs/dbraw/zinc/27/19/05/554271905.db2.gz HTYHQEAPOKJKGR-UMSFTDKQSA-N 1 0 616.778 5.548 40 0 KKABRO O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000039767669 554280622 /nfs/dbraw/zinc/28/06/22/554280622.db2.gz FYFRNNFAEPZSSZ-UHFFFAOYSA-N 1 0 518.466 5.645 40 0 KKABRO O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000039773342 554280920 /nfs/dbraw/zinc/28/09/20/554280920.db2.gz CCBAJFGCYGCEJP-UHFFFAOYSA-N 1 0 502.011 5.131 40 0 KKABRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc([C@@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000044872147 554306286 /nfs/dbraw/zinc/30/62/86/554306286.db2.gz YUAXYVFPRFIVRZ-LJAQVGFWSA-N 1 0 520.098 5.640 40 0 KKABRO Cc1ccc(N(CC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)S(=O)(=O)c2ccccc2)cc1Cl ZINC000044873572 554306496 /nfs/dbraw/zinc/30/64/96/554306496.db2.gz XHPCKZRVSGNQNN-UHFFFAOYSA-N 1 0 526.102 5.146 40 0 KKABRO Cc1cc(Cl)ccc1N(CC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)S(=O)(=O)c1ccccc1 ZINC000044873557 554306520 /nfs/dbraw/zinc/30/65/20/554306520.db2.gz YYOWKWVJFSRQBQ-UHFFFAOYSA-N 1 0 526.102 5.146 40 0 KKABRO Cc1ccc(N(Cc2ccc(C(=O)NCc3ccc(C[NH+]4CCCCC4)cc3)cc2)S(C)(=O)=O)cc1C ZINC000044874026 554306742 /nfs/dbraw/zinc/30/67/42/554306742.db2.gz SEPXATWIQGWCOG-UHFFFAOYSA-N 1 0 519.711 5.186 40 0 KKABRO CC[C@H](c1nnnn1Cc1ccc(F)cc1)N(CCc1ccccc1C)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000100376888 554360233 /nfs/dbraw/zinc/36/02/33/554360233.db2.gz AHWIJHQWMKKXCF-GDLZYMKVSA-N 1 0 538.671 5.823 40 0 KKABRO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)N(CCc1ccccc1C)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000100376820 554360334 /nfs/dbraw/zinc/36/03/34/554360334.db2.gz UBDKFFORLKCFHQ-PMERELPUSA-N 1 0 536.680 5.384 40 0 KKABRO CC[C@@H](c1nnnn1C1CCCCC1)N(CCc1ccc(OC)c(OC)c1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000100377233 554360372 /nfs/dbraw/zinc/36/03/72/554360372.db2.gz NHWKDRVYLCXHOF-SANMLTNESA-N 1 0 544.700 5.541 40 0 KKABRO CC[C@H](c1nnnn1C1CCCCC1)N(Cc1ccc(OC)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000057641146 554361360 /nfs/dbraw/zinc/36/13/60/554361360.db2.gz HVZUUKHGUJJBIM-HHHXNRCGSA-N 1 0 516.646 5.191 40 0 KKABRO CC[C@@H](c1nnnn1C1CCCCC1)N(Cc1ccc(F)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000057641132 554361417 /nfs/dbraw/zinc/36/14/17/554361417.db2.gz VBNGQSIRRHCUKZ-SANMLTNESA-N 1 0 504.610 5.321 40 0 KKABRO CC[NH+](CC)CCCNC(=O)/C(=C\c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)NC(=O)c1ccc(C)cc1 ZINC000100455055 554395959 /nfs/dbraw/zinc/39/59/59/554395959.db2.gz QSSDICIWRIXHAN-XIEYBQDHSA-N 1 0 562.032 6.546 40 0 KKABRO COc1ccc(C[NH+](Cc2ccc(OC)c(OC)c2)C[C@H]2CC[C@H](c3nc(C)ncc3C(=O)N(C)C)CC2)cc1OC ZINC000100492667 554403017 /nfs/dbraw/zinc/40/30/17/554403017.db2.gz RFCCFBPGAMKFHZ-VJXHGUGDSA-N 1 0 576.738 5.497 40 0 KKABRO COc1ccc([C@@H]2N[C@H](c3ccc(OC)cc3)C3C(=O)C2[C@@H](c2ccc(OC)cc2)[NH2+][C@H]3c2ccc(OC)cc2)cc1 ZINC000059641099 554416946 /nfs/dbraw/zinc/41/69/46/554416946.db2.gz SJYGOTYPICEFKJ-XYWJRZMHSA-N 1 0 564.682 5.994 40 0 KKABRO CCc1ccc2c(c1)[C@@]1(C(=O)N2)[N@@H+]2CCC[C@@H]2[C@@H](C(=O)c2ccc3ccccc3c2)[C@]12c1ccccc1NC2=O ZINC000059785692 554430234 /nfs/dbraw/zinc/43/02/34/554430234.db2.gz DEXFPUZLJYSAEO-ROFWYLAISA-N 1 0 527.624 5.417 40 0 KKABRO COc1ccccc1[C@@H](c1c(C)[nH]c2ccccc21)N1CC[NH+]([C@@H](c2c(C)[nH]c3ccccc32)c2ccccc2OC)CC1 ZINC000100868763 554497517 /nfs/dbraw/zinc/49/75/17/554497517.db2.gz PMHOLWFFENZCFE-MAZIBIHTSA-N 1 0 584.764 7.780 40 0 KKABRO COc1ccccc1[C@H](c1c(C)[nH]c2ccccc21)N1CC[NH+]([C@@H](c2c(C)[nH]c3ccccc32)c2ccccc2OC)CC1 ZINC000100868766 554497556 /nfs/dbraw/zinc/49/75/56/554497556.db2.gz PMHOLWFFENZCFE-XPSQVAKYSA-N 1 0 584.764 7.780 40 0 KKABRO C[NH+](C)CC[C@@](O)(c1cccc2ccccc21)[C@H](c1ccccc1)c1cnc2ccc(Br)cc2c1 ZINC000066262007 554529907 /nfs/dbraw/zinc/52/99/07/554529907.db2.gz CAZMLEZKNNXBTD-FIRIVFDPSA-N 1 0 525.490 7.122 40 0 KKABRO COc1ccc(CN(Cc2ccc(OC)cc2)C[C@H]2C[C@@H]3CC[N@@H+]2C[C@@H]3c2cc(-c3ccc4ccccc4c3)nn2C)cc1 ZINC000067870599 554533845 /nfs/dbraw/zinc/53/38/45/554533845.db2.gz YDWFEZOLMCTWHY-ZYPDKHHRSA-N 1 0 586.780 7.138 40 0 biogenic,in-vitro KKABRO Cc1c(Br)cc2c(c1Br)OC[C@](C[NH+]1CCCC1)(Sc1ccc(Cl)cc1)C2=O ZINC000100959192 554541948 /nfs/dbraw/zinc/54/19/48/554541948.db2.gz AASWSEZXDHTOEA-NRFANRHFSA-N 1 0 545.724 6.375 40 0 KKABRO Cc1nn2c(nc(C)c(Cc3ccccc3)c2N2CC[NH+](CCOc3cccc4ccccc43)CC2)c1-c1ccccc1 ZINC000101095409 554584386 /nfs/dbraw/zinc/58/43/86/554584386.db2.gz IHPKYFLWZVKBKE-UHFFFAOYSA-N 1 0 567.737 6.958 40 0 KKABRO CCOc1cc(C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000102482168 554937363 /nfs/dbraw/zinc/93/73/63/554937363.db2.gz KVDBTUGSLIXPIF-UHFFFAOYSA-N 1 0 588.351 5.713 40 0 KKABRO COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1C[NH+]1CCC(C)CC1 ZINC000102512191 554946787 /nfs/dbraw/zinc/94/67/87/554946787.db2.gz WMPQAORGZVONAJ-ULNSLHSMSA-N 1 0 590.518 5.741 40 0 KKABRO COc1cc(C[NH2+]CCCSc2nnnn2-c2ccccc2)cc(Cl)c1OCc1ccccc1Cl ZINC000102558639 554965919 /nfs/dbraw/zinc/96/59/19/554965919.db2.gz NZHWBBNSJANBPJ-UHFFFAOYSA-N 1 0 530.481 5.829 40 0 KKABRO CCOc1cc(C[NH2+]CCCSc2nnnn2-c2ccccc2)ccc1OCc1ccc(Cl)cc1Cl ZINC000102558748 554966212 /nfs/dbraw/zinc/96/62/12/554966212.db2.gz UECHPGTXIQXNFC-UHFFFAOYSA-N 1 0 544.508 6.219 40 0 KKABRO COc1cc(C[NH2+]CCCSc2nnnn2-c2ccccc2)cc(Br)c1OCc1ccc(F)cc1 ZINC000102558678 554966337 /nfs/dbraw/zinc/96/63/37/554966337.db2.gz OSTHLXQFDBISEG-UHFFFAOYSA-N 1 0 558.477 5.424 40 0 KKABRO CCOc1cc(C[NH2+]CCSc2nnnn2-c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000102559360 554966835 /nfs/dbraw/zinc/96/68/35/554966835.db2.gz AGRITPXSQBSADX-UHFFFAOYSA-N 1 0 574.932 5.938 40 0 KKABRO CCOc1cc(C[NH2+]CCc2c[nH]c3ccccc23)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000102563424 554968851 /nfs/dbraw/zinc/96/88/51/554968851.db2.gz DEVGBEHIKUZUCR-UHFFFAOYSA-N 1 0 548.308 7.547 40 0 KKABRO CCc1cccc2c1NC(=O)[C@]21[N@@H+]2CCC[C@@H]2[C@@H](C(=O)c2ccc(Br)cc2)[C@@]12C(=O)Nc1ccccc12 ZINC000103518443 555423924 /nfs/dbraw/zinc/42/39/24/555423924.db2.gz PJAKLDZWFIABNU-LZEUDMGESA-N 1 0 556.460 5.026 40 0 KKABRO COc1cc(C[NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000103573077 555450813 /nfs/dbraw/zinc/45/08/13/555450813.db2.gz CRXWLDBIEPRQPY-GVGIJBBXSA-N 1 0 553.368 8.182 40 0 KKABRO Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)N4CCC[C@H]4C(=O)NCCCNC(=O)c4ccc(C(N)=[NH2+])cc4)c3Cl)c2n1 ZINC000053261548 562696921 /nfs/dbraw/zinc/69/69/21/562696921.db2.gz XUHBBTKJWIBQMY-MHZLTWQESA-N 1 0 711.672 5.111 40 0 investigational KKABRO Cn1nc(-c2ccc3ccccc3c2)cc1[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2CN(Cc1ccco1)Cc1ccco1 ZINC000067870601 565116682 /nfs/dbraw/zinc/11/66/82/565116682.db2.gz POYOECKUCHPQML-NSROOHRNSA-N 1 0 506.650 6.307 40 0 biogenic,in-vitro KKABRO CCCOc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc(OC)cc3OC)N3C=Cc4ccccc4[C@@H]3[C@@]23c2ccccc2NC3=O)cc1 ZINC000103288055 571361612 /nfs/dbraw/zinc/36/16/12/571361612.db2.gz BSKCIARFZJDADB-OSZGUBSQSA-N 1 0 614.698 6.474 40 0 KKABRO CCCOc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccc(OC)c(OC)c3)N3C=Cc4ccccc4[C@@H]3[C@@]23c2ccccc2NC3=O)cc1 ZINC000103287973 571361616 /nfs/dbraw/zinc/36/16/16/571361616.db2.gz FRFQVSQWJGZNEN-FBMCJCTKSA-N 1 0 614.698 6.474 40 0 KKABRO COc1cccc(C(=O)[C@H]2[C@@H](C(=O)c3cccc(OC)c3)[C@@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN23)c1 ZINC000103528685 571361708 /nfs/dbraw/zinc/36/17/08/571361708.db2.gz STOAPNMOTXHAIM-KCQQKVKYSA-N 1 0 556.618 5.686 40 0 KKABRO COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=S)NC(=O)C=Cc2ccc(-c3cc(Cl)cc(Cl)c3)o2)c1 ZINC000105222651 571392222 /nfs/dbraw/zinc/39/22/22/571392222.db2.gz YZPHXNJBMUGLIU-VMPITWQZSA-N 1 0 573.502 5.318 40 0 KKABRO Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)c1Cl ZINC000105322721 571403180 /nfs/dbraw/zinc/40/31/80/571403180.db2.gz JETBPGAQEPEHFJ-UHFFFAOYSA-N 1 0 532.899 6.603 40 0 KKABRO O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000105322715 571403200 /nfs/dbraw/zinc/40/32/00/571403200.db2.gz FRQBRNZKJUIDKT-NTCAYCPXSA-N 1 0 532.471 7.228 40 0 KKABRO Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(Br)cc4)cc3)CC2)cc1 ZINC000108564215 571426298 /nfs/dbraw/zinc/42/62/98/571426298.db2.gz NFUSNMNEUMOJIA-UHFFFAOYSA-N 1 0 542.499 5.409 40 0 KKABRO O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000108589123 571426512 /nfs/dbraw/zinc/42/65/12/571426512.db2.gz DBCNTXHDQCWFRI-UHFFFAOYSA-N 1 0 586.463 6.664 40 0 KKABRO C[NH+](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](NC(=O)N[C@@H](Cc5ccccc5)c5nccs5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000118930633 571447540 /nfs/dbraw/zinc/44/75/40/571447540.db2.gz QPOUCHIQTFZFLC-YMGSTHINSA-N 1 0 548.841 7.068 40 0 KKABRO CCCC[N@@H+]1C[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1COCc1ccccc1 ZINC000136460188 571449393 /nfs/dbraw/zinc/44/93/93/571449393.db2.gz DZPAABGOOAWABR-OQYJSAOUSA-N 1 0 579.781 7.444 40 0 KKABRO C[NH+](C)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(F)cc2Br)o1 ZINC000223245443 571449906 /nfs/dbraw/zinc/44/99/06/571449906.db2.gz HPVYUFMFFNZFTC-YADHBBJMSA-N 1 0 503.441 5.167 40 0 KKABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c2ccc(Cl)cc2C)cc1 ZINC000139872529 571454049 /nfs/dbraw/zinc/45/40/49/571454049.db2.gz VMSKFVVQJQJUDG-UHFFFAOYSA-N 1 0 540.129 5.454 40 0 KKABRO Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1)S(=O)(=O)c1ccccc1 ZINC000139877624 571454223 /nfs/dbraw/zinc/45/42/23/571454223.db2.gz AMGJNVBCKAFBSB-UHFFFAOYSA-N 1 0 602.200 6.960 40 0 KKABRO C=C(c1ccc(C(=c2[nH]c(=C(C3=[NH+]C(=C(C4=NCC(Br)=C4Br)c4ccccc4)C=C3)c3ccccc3)c(Br)c2Br)c2ccccc2)[nH]1)c1ccccc1 ZINC000150345866 571460233 /nfs/dbraw/zinc/46/02/33/571460233.db2.gz LRPZTUXKELTCJF-QTJUENDZSA-N 1 0 946.379 11.174 40 0 KKABRO Cc1oc2c(cc3c(C)c(CC(=O)N4CCCC5=C[C@H]6C[C@H](C[N@@H+]7CCCC[C@H]67)[C@@H]54)c(=O)oc3c2C)c1C ZINC000208192281 571573439 /nfs/dbraw/zinc/57/34/39/571573439.db2.gz PUKGBOVQWWGCRG-OTZAEGHNSA-N 1 0 514.666 5.737 40 0 KKABRO Cc1ccc(N(CC(=O)NCc2cccc(C[NH+]3CCCCC3)c2)S(=O)(=O)c2ccccc2)cc1Cl ZINC000224649822 571594950 /nfs/dbraw/zinc/59/49/50/571594950.db2.gz KGIXCTFTDSJCNQ-UHFFFAOYSA-N 1 0 526.102 5.146 40 0 KKABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2cccc(C[NH+]3CCCCC3)c2)c2ccc(C)cc2C)cc1 ZINC000224650721 571595279 /nfs/dbraw/zinc/59/52/79/571595279.db2.gz FZDQVMLYVHNYIP-UHFFFAOYSA-N 1 0 519.711 5.109 40 0 KKABRO COc1ccc(S(=O)(=O)N(CC(=O)NCc2cccc(C[NH+]3CCCCC3)c2)c2ccc(C)cc2)cc1Br ZINC000224656518 571596884 /nfs/dbraw/zinc/59/68/84/571596884.db2.gz GIRAHAIPKTZPSD-UHFFFAOYSA-N 1 0 600.579 5.264 40 0 KKABRO O=C(NCc1cccc(C[NH+]2CCCCC2)c1)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1 ZINC000224657123 571597056 /nfs/dbraw/zinc/59/70/56/571597056.db2.gz JVVDKGZDECGQRD-UHFFFAOYSA-N 1 0 553.728 5.998 40 0 KKABRO Cc1cc(C)cc(N(Cc2ccc(C(=O)NCc3cccc(C[NH+]4CCCCC4)c3)cc2)S(C)(=O)=O)c1 ZINC000224693955 571605824 /nfs/dbraw/zinc/60/58/24/571605824.db2.gz DQLFFRVUKQEGFB-UHFFFAOYSA-N 1 0 519.711 5.186 40 0 KKABRO COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cccn3-c3cc[nH+]cc3)cc2)cc1 ZINC000224730647 571612070 /nfs/dbraw/zinc/61/20/70/571612070.db2.gz BBQSVPHJTWOKSP-URLMMPGGSA-N 1 0 519.630 6.245 40 0 KKABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2C[NH+]2CCCC2)c2ccc(C(C)C)cc2)cc1 ZINC000224762661 571614857 /nfs/dbraw/zinc/61/48/57/571614857.db2.gz UMUUPEWUJBACEG-UHFFFAOYSA-N 1 0 519.711 5.226 40 0 KKABRO CS(=O)(=O)N(Cc1ccc(C(=O)NCc2ccccc2C[NH+]2CCCC2)cc1)c1cccc(Cl)c1Cl ZINC000224777039 571616105 /nfs/dbraw/zinc/61/61/05/571616105.db2.gz BIZOLWDFYVNZOM-UHFFFAOYSA-N 1 0 546.520 5.485 40 0 KKABRO O=C(CN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccccc1)NCc1ccccc1C[NH+]1CCCC1 ZINC000224783862 571616698 /nfs/dbraw/zinc/61/66/98/571616698.db2.gz BAUICLKCSGVRHN-UHFFFAOYSA-N 1 0 555.700 5.586 40 0 KKABRO O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000224810782 571619284 /nfs/dbraw/zinc/61/92/84/571619284.db2.gz OMJWZOUKWOTMGS-UHFFFAOYSA-N 1 0 546.520 5.491 40 0 KKABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2C[NH+]2CCCCC2)c2cccc(Cl)c2)cc1 ZINC000224811760 571619375 /nfs/dbraw/zinc/61/93/75/571619375.db2.gz IUZPBHJJCLJQQV-UHFFFAOYSA-N 1 0 526.102 5.146 40 0 KKABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2C[NH+]2CCCCC2)c2ccc(C(C)C)cc2)cc1 ZINC000224811623 571619410 /nfs/dbraw/zinc/61/94/10/571619410.db2.gz BIOFKRUNGWTYEN-UHFFFAOYSA-N 1 0 533.738 5.616 40 0 KKABRO COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000224817496 571619892 /nfs/dbraw/zinc/61/98/92/571619892.db2.gz QWCQPRMCPUMURY-UHFFFAOYSA-N 1 0 583.754 6.007 40 0 KKABRO O=C(NCc1ccccc1C[NH+]1CCCCC1)c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000224827423 571620990 /nfs/dbraw/zinc/62/09/90/571620990.db2.gz GKHAOHSKJYDFFM-SSEXGKCCSA-N 1 0 534.125 6.030 40 0 KKABRO COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(CCC[NH+]3CCOCC3)c2C)cc1Cl ZINC000224954946 571633456 /nfs/dbraw/zinc/63/34/56/571633456.db2.gz JVMREJNUAFNHOH-SVBPBHIXSA-N 1 0 540.133 5.061 40 0 KKABRO COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(CCC[NH+]3CCOCC3)c2C)ccc1NC(=O)C(C)(C)C ZINC000225098608 571647052 /nfs/dbraw/zinc/64/70/52/571647052.db2.gz GDSIZFRUGILODP-LOYHVIPDSA-N 1 0 604.821 5.393 40 0 KKABRO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1CCC[NH+]1CCOCC1 ZINC000225127386 571649988 /nfs/dbraw/zinc/64/99/88/571649988.db2.gz YONARXUQKWZZSB-URLMMPGGSA-N 1 0 595.213 5.647 40 0 KKABRO CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(CCC[NH+]3CCOCC3)c2C)cc1C ZINC000225155031 571652903 /nfs/dbraw/zinc/65/29/03/571652903.db2.gz QKHGDIJHLTZSRK-LOYHVIPDSA-N 1 0 560.768 5.056 40 0 KKABRO O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000225340003 571698758 /nfs/dbraw/zinc/69/87/58/571698758.db2.gz FMJVCGBTEGTTCR-UHFFFAOYSA-N 1 0 503.071 6.566 40 0 KKABRO C[C@@H]1CCCC[N@@H+]1CCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCOCC2)cc1 ZINC000225582640 571941581 /nfs/dbraw/zinc/94/15/81/571941581.db2.gz LXSGQAYZHACEPI-HXUWFJFHSA-N 1 0 505.486 6.324 40 0 KKABRO O=C(CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cc[nH+]cc1)Nc1cccc2ccccc21 ZINC000225700363 572031604 /nfs/dbraw/zinc/03/16/04/572031604.db2.gz VTHPMDOVGLXBEO-URLMMPGGSA-N 1 0 518.646 5.422 40 0 KKABRO Cc1ccc(Cl)cc1N1CC[NH+](C[C@H](O)COCCOc2ccc(C(C)(C)CC(C)(C)C)cc2)CC1 ZINC000226069809 572125644 /nfs/dbraw/zinc/12/56/44/572125644.db2.gz DFIGVWXGMBBKQS-SANMLTNESA-N 1 0 517.154 5.941 40 0 KKABRO C[NH+](C)CCCNc1nc(Nc2ccc(Br)c(C(F)(F)F)c2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329039723 572150172 /nfs/dbraw/zinc/15/01/72/572150172.db2.gz RZEAVWMNXMQITJ-UHFFFAOYSA-N 1 0 578.355 5.775 40 0 KKABRO C[NH+](C)CCCNc1nc(Nc2ccc(C(F)(F)F)cc2Br)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329046558 572150941 /nfs/dbraw/zinc/15/09/41/572150941.db2.gz UBXZQTQZVCOBEP-UHFFFAOYSA-N 1 0 578.355 5.775 40 0 KKABRO CC1(C)CC(OC(=O)CCCCCCCCC(=O)OC2CC(C)(C)[N+](=O)C(C)(C)C2)CC(C)(C)N1O ZINC000334160133 572153969 /nfs/dbraw/zinc/15/39/69/572153969.db2.gz KHVRHWYBAVINRZ-UHFFFAOYSA-N 1 0 511.724 6.103 40 0 KKABRO COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CCN(C/C=C/c2ccccc2)CC1)c1ccc(C)c(Cl)c1 ZINC000408622580 572282159 /nfs/dbraw/zinc/28/21/59/572282159.db2.gz PGFVIAMUTCWPBO-JXMROGBWSA-N 1 0 568.139 5.018 40 0 KKABRO COc1ccc(C[NH+](Cc2ccc(OC)c(OC)c2)C[C@H]2CC[C@H](c3nc(C)ncc3C(=O)N(C)C)CC2)cc1OC ZINC000253530811 572298524 /nfs/dbraw/zinc/29/85/24/572298524.db2.gz RFCCFBPGAMKFHZ-OJBMAJLDSA-N 1 0 576.738 5.497 40 0 KKABRO COc1c(C[N@@H+]2CCC[C@@](COc3ccc(Cl)c(C)c3)(CC(=O)N(C)Cc3ccccc3)C2)c(C)nn1C ZINC000257212436 572307500 /nfs/dbraw/zinc/30/75/00/572307500.db2.gz CDKNBDSUKBGWEO-SSEXGKCCSA-N 1 0 539.120 5.409 40 0 KKABRO Cc1cc(OC[C@@]2(CC(=O)N3CCN(C)CC3)CCC[N@@H+](Cc3cn(C(C)C)c4ccccc34)C2)ccc1Cl ZINC000257217655 572308014 /nfs/dbraw/zinc/30/80/14/572308014.db2.gz CZYUYSKOUIBWJE-JGCGQSQUSA-N 1 0 551.175 6.009 40 0 KKABRO CC[N@H+](CCCNC(=O)C1(Cc2cccc(-c3cccc(OC)c3)c2)CCOCC1)Cc1ccccc1 ZINC000257218622 572308035 /nfs/dbraw/zinc/30/80/35/572308035.db2.gz DDUXGKQYAOHTIJ-UHFFFAOYSA-N 1 0 500.683 5.730 40 0 KKABRO O=C(c1ccc(Cn2cc(Cl)cn2)o1)N1CC[C@@H]2[C@H](C1)[C@@H](c1ccc(F)cc1F)C[N@@H+]2Cc1ccccc1 ZINC000257221957 572308322 /nfs/dbraw/zinc/30/83/22/572308322.db2.gz DRHGYCZZJIIAJZ-RGSZASNESA-N 1 0 537.010 5.586 40 0 KKABRO Cc1cc(OC[C@@]2(CC(=O)N3CCN(C)CC3)CCC[N@H+](Cc3cccc(OC(F)(F)F)c3)C2)ccc1Cl ZINC000257225525 572308708 /nfs/dbraw/zinc/30/87/08/572308708.db2.gz FGOYERSIHUUNAO-HHHXNRCGSA-N 1 0 554.053 5.372 40 0 KKABRO CC(C)=CCC[C@@]1(C)Oc2c(OCC[NH+](C)C)cccc2[C@H]2O[C@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3C[C@@H]21 ZINC000257246942 572310759 /nfs/dbraw/zinc/31/07/59/572310759.db2.gz IWQXQGUYTSSTCT-NOOVNOLFSA-N 1 0 528.734 6.228 40 0 KKABRO Cc1cccnc1C[N@H+]1CCC[C@@](COc2ccc(Cl)c(C)c2)(CC(=O)N(C)Cc2ccccc2)C1 ZINC000257252755 572311300 /nfs/dbraw/zinc/31/13/00/572311300.db2.gz JWAROIKWIURMJJ-SSEXGKCCSA-N 1 0 506.090 6.062 40 0 KKABRO CCOc1cc([C@H]2C[N@H+](Cc3c[nH]nc3-c3ccc(Cl)cc3)[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]32)ccc1O ZINC000257266910 572312577 /nfs/dbraw/zinc/31/25/77/572312577.db2.gz MFDDSZSPIDUDIG-UBFVSLLYSA-N 1 0 553.103 6.059 40 0 KKABRO Cc1cc(OC[C@@]2(CC(=O)N3CCOCC3)CCC[N@H+](Cc3cccc(OC(F)(F)F)c3)C2)ccc1Cl ZINC000257268467 572312708 /nfs/dbraw/zinc/31/27/08/572312708.db2.gz MLUKBTIJVLHCRV-AREMUKBSSA-N 1 0 541.010 5.457 40 0 KKABRO CC(C)(C)n1ccc([C@H]2C[C@@H](C(=O)Nc3cccc(OC(F)(F)F)c3)[NH2+][C@H]2c2ccc(Cl)c(F)c2)n1 ZINC000257269491 572312812 /nfs/dbraw/zinc/31/28/12/572312812.db2.gz MQGAFPUDGGHSJI-WTNAPCKOSA-N 1 0 524.946 6.155 40 0 KKABRO Cc1cc(OC[C@@]2(CC(=O)N3CCOCC3)CCC[N@@H+](Cc3cn(C(C)C)c4ccccc34)C2)ccc1Cl ZINC000257273826 572313299 /nfs/dbraw/zinc/31/32/99/572313299.db2.gz NIJRVIHYAXKYOL-WJOKGBTCSA-N 1 0 538.132 6.094 40 0 KKABRO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@H+](Cc2cc3ccccc3s2)Cc2ccc(Cl)cc2)C1 ZINC000257280375 572313817 /nfs/dbraw/zinc/31/38/17/572313817.db2.gz OKPLEUKNEMLBKG-CLJLJLNGSA-N 1 0 507.055 5.939 40 0 KKABRO Cc1cc(C[N@@H+]2CCC[C@](COc3ccc(Cl)c(C)c3)(CC(=O)N3CCOCC3)C2)c(C)n1Cc1ccccc1 ZINC000257281472 572313942 /nfs/dbraw/zinc/31/39/42/572313942.db2.gz OPISFVUDEKHFEK-XIFFEERXSA-N 1 0 564.170 6.025 40 0 KKABRO Cc1cc(OC[C@@]2(CC(=O)N(C)Cc3ccccc3)CCC[N@H+](Cc3cc(F)ccc3C)C2)ccc1Cl ZINC000257282255 572314032 /nfs/dbraw/zinc/31/40/32/572314032.db2.gz OTAVQGLIZVNMFK-WJOKGBTCSA-N 1 0 523.092 6.806 40 0 KKABRO CC(C)c1nc2ccccc2n1CCCC(=O)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H]([NH+]2CCCC2)CC1 ZINC000257286849 572314592 /nfs/dbraw/zinc/31/45/92/572314592.db2.gz PNIHNBHIMMTNGU-OLWNVYNHSA-N 1 0 516.730 5.393 40 0 KKABRO Cc1cc(OC[C@@]2(CC(=O)N(C)Cc3ccccc3)CCC[N@H+](Cc3ccc4cc[nH]c4c3)C2)ccc1Cl ZINC000257297058 572315491 /nfs/dbraw/zinc/31/54/91/572315491.db2.gz RFPREIFHVITBBH-JGCGQSQUSA-N 1 0 530.112 6.840 40 0 KKABRO CC(C)Oc1cccc(NC(=O)[C@@H]2C[C@H](c3ccn(C(C)(C)C)n3)[C@H](c3ccc(C(F)(F)F)cc3)[NH2+]2)c1 ZINC000257318063 572317700 /nfs/dbraw/zinc/31/77/00/572317700.db2.gz VMIJEPMSSDCELH-VJTSUQJLSA-N 1 0 514.592 6.270 40 0 KKABRO CC(C)(C)n1ccc([C@H]2C[C@@H](C(=O)Nc3ccc(OC(F)F)cc3)[NH2+][C@H]2c2ccc(Cl)c(F)c2)n1 ZINC000257325124 572318282 /nfs/dbraw/zinc/31/82/82/572318282.db2.gz WROQLNUTAULMGJ-WTNAPCKOSA-N 1 0 506.956 5.858 40 0 KKABRO c1ccc(COC[C@@H]2[NH2+]C[C@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)cc1 ZINC000097976022 1069692746 /nfs/dbraw/zinc/69/27/46/1069692746.db2.gz HHIIDKLQTCPFQA-CUPIEXAXSA-N 1 0 523.673 5.931 40 0 KKABRO CC1(C)OCc2cc([C@@H](O)C[NH2+]CCCCCCOCCOCc3c(Cl)cccc3Cl)ccc2O1 ZINC000114856030 1069723275 /nfs/dbraw/zinc/72/32/75/1069723275.db2.gz OWOCWBVFWIFQCF-VWLOTQADSA-N 1 0 526.501 6.055 40 0 KKABRO C=C1[NH+]=C(SCc2ccc(Cl)c(Cl)c2)N[C@@H](c2cccc(Br)c2)C1C(=O)OCC ZINC000409336648 1070856988 /nfs/dbraw/zinc/85/69/88/1070856988.db2.gz OTGIZSCYYBEDKS-IBGZPJMESA-N 1 0 514.272 6.527 40 0 KKABRO CCc1nccn1CCOc1ccc(C[NH+]2CCC(O)(COc3cc(C)c(Cl)c(C)c3)CC2)cc1OC ZINC000585270504 1071020113 /nfs/dbraw/zinc/02/01/13/1071020113.db2.gz DVWQPCWOBKJFAO-UHFFFAOYSA-N 1 0 528.093 5.209 40 0 KKABRO CCc1nccn1CCCOc1ccc(C[NH+]2CCC(O)(COc3cc(C)c(Cl)c(C)c3)CC2)cc1OC ZINC000585272170 1071017429 /nfs/dbraw/zinc/01/74/29/1071017429.db2.gz QJTLSBSEYDETNZ-UHFFFAOYSA-N 1 0 542.120 5.599 40 0 KKABRO COc1cc(C[N@@H+]2CCC[C@](O)(COc3ccc(Cl)c(Cl)c3)CC2)ccc1OCCCn1ccnc1 ZINC000585270156 1071020377 /nfs/dbraw/zinc/02/03/77/1071020377.db2.gz CNEQJJPBQQEHMR-HHHXNRCGSA-N 1 0 534.484 5.464 40 0 KKABRO CCc1nccn1CCCOc1cc(C[NH+]2CCC(COc3ccc(C)cc3C)(OC)CC2)ccc1OC ZINC000585270563 1071018818 /nfs/dbraw/zinc/01/88/18/1071018818.db2.gz FTHUMDFKCBGKPL-UHFFFAOYSA-N 1 0 521.702 5.600 40 0 KKABRO O=C1CCCN1CCCOc1cccc(C[N@H+]2CCC[C@](O)(COc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000585270086 1071022550 /nfs/dbraw/zinc/02/25/50/1071022550.db2.gz BRXYRWDKHVLMGR-HHHXNRCGSA-N 1 0 521.485 5.181 40 0 KKABRO CO[C@@]1(COc2ccccc2F)CCC[N@H+](Cc2cccc(OCCCN3CCCCCC3=O)c2)CC1 ZINC000585270220 1071022711 /nfs/dbraw/zinc/02/27/11/1071022711.db2.gz APTMPDKBHSJCNJ-PMERELPUSA-N 1 0 512.666 5.447 40 0 KKABRO O[C@]1(COc2ccc(Cl)c(Cl)c2)CCC[N@H+](Cc2ccc(OCCCn3cccn3)cc2)CC1 ZINC000585271533 1071024487 /nfs/dbraw/zinc/02/44/87/1071024487.db2.gz AKCXPMQPJAHKEZ-AREMUKBSSA-N 1 0 504.458 5.455 40 0 KKABRO CCc1nccn1CCCOc1ccc(C[N@@H+]2CCC[C@@](COc3ccccc3F)(OC)CC2)cc1OC ZINC000585271105 1071026196 /nfs/dbraw/zinc/02/61/96/1071026196.db2.gz JKJSPUOOUDREGS-SSEXGKCCSA-N 1 0 525.665 5.512 40 0 KKABRO COc1ccc(C[N@@H+]2CCC[C@@](O)(COc3ccc(Cl)c(Cl)c3)CC2)cc1OCCn1ccnc1 ZINC000585271232 1071025301 /nfs/dbraw/zinc/02/53/01/1071025301.db2.gz LUZPFSMMTJQLEA-SANMLTNESA-N 1 0 520.457 5.074 40 0 KKABRO COc1cc(C[N@@H+]2CCC[C@@](O)(COc3cc(C)ccc3Cl)CC2)ccc1OCCn1cc(C)cn1 ZINC000585273224 1071029221 /nfs/dbraw/zinc/02/92/21/1071029221.db2.gz YLYBOSQGUYSSEE-NDEPHWFRSA-N 1 0 514.066 5.037 40 0 KKABRO Cc1cc(C)n(CCCOc2cccc(C[NH+]3CCC(O)(COc4ccc(Cl)c(Cl)c4)CC3)c2)n1 ZINC000585273230 1071029400 /nfs/dbraw/zinc/02/94/00/1071029400.db2.gz YNRFAJNZGYZYAD-UHFFFAOYSA-N 1 0 518.485 5.682 40 0 KKABRO Cc1cnn(CCCOc2ccc(C[NH+]3CCC(O)(COc4ccc(Cl)c(Cl)c4)CC3)cc2)c1 ZINC000585273045 1071029871 /nfs/dbraw/zinc/02/98/71/1071029871.db2.gz MXUXIDLSSPANHB-UHFFFAOYSA-N 1 0 504.458 5.373 40 0 KKABRO CCc1nccn1CCOc1ccc(C[NH+]2CCC(COc3ccc(Cl)c(Cl)c3)(OC)CC2)cc1OC ZINC000585272868 1071027499 /nfs/dbraw/zinc/02/74/99/1071027499.db2.gz XXJMWFKBTPFTAC-UHFFFAOYSA-N 1 0 548.511 5.900 40 0 KKABRO Cc1ccn(CCCOc2ccc(C[N@@H+]3CCC[C@](O)(COc4ccc(Cl)c(Cl)c4)CC3)cc2)n1 ZINC000585274095 1071031611 /nfs/dbraw/zinc/03/16/11/1071031611.db2.gz RFMFDONXKXCOLR-HHHXNRCGSA-N 1 0 518.485 5.763 40 0 KKABRO COc1cc(C[N@@H+]2CCC[C@](COc3ccccc3F)(OC)CC2)ccc1OCCCn1cc(C)cn1 ZINC000585274923 1071031661 /nfs/dbraw/zinc/03/16/61/1071031661.db2.gz RRKUDSRQZGKVJJ-LJAQVGFWSA-N 1 0 511.638 5.258 40 0 KKABRO O=C1CCCCN1CCCOc1ccc(C[NH+]2CCC(O)(COc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000585280029 1071036339 /nfs/dbraw/zinc/03/63/39/1071036339.db2.gz IRLJLHOAJNQMLP-UHFFFAOYSA-N 1 0 521.485 5.181 40 0 KKABRO COc1cc(C[NH+]2CCC(COc3ccc(C)cc3C)(OC)CC2)ccc1OCCCn1cc(C)cn1 ZINC000585275036 1071032629 /nfs/dbraw/zinc/03/26/29/1071032629.db2.gz ULDIUFKZGSAUOJ-UHFFFAOYSA-N 1 0 507.675 5.346 40 0 KKABRO COc1cc(C[N@@H+]2CCC[C@@](O)(COc3ccc(Cl)c(Cl)c3)CC2)ccc1OCCn1ccnc1C ZINC000585273328 1071033978 /nfs/dbraw/zinc/03/39/78/1071033978.db2.gz ZTLXPMCZCIDDFF-MHZLTWQESA-N 1 0 534.484 5.382 40 0 KKABRO COc1cc(C[NH+]2CCC(O)(COc3cc(C)c(Cl)c(C)c3)CC2)ccc1OCCCn1cc(C)cn1 ZINC000585275076 1071034976 /nfs/dbraw/zinc/03/49/76/1071034976.db2.gz VVUFAAMVPBCSSG-UHFFFAOYSA-N 1 0 528.093 5.345 40 0 KKABRO Cc1nccn1CCCOc1cccc(C[NH+]2CCC(Nc3ncnc4sc5c(c43)CC(C)(C)OC5)CC2)c1 ZINC000585293369 1071042205 /nfs/dbraw/zinc/04/22/05/1071042205.db2.gz VTVRPJWJTDOFGW-UHFFFAOYSA-N 1 0 546.741 5.593 40 0 KKABRO COc1ccc(C[NH+]2CCC(COc3ccc(C)cc3C)(OC)CC2)cc1OCCCN1CCCCCC1=O ZINC000585279565 1071038359 /nfs/dbraw/zinc/03/83/59/1071038359.db2.gz DCWWLCKCQYICLU-UHFFFAOYSA-N 1 0 538.729 5.544 40 0 KKABRO CC(C)[C@@H]1C[C@H](c2cccc(F)c2)CO[C@H]1c1cccc(OCC(=O)N2CCC([NH+]3CCCCC3)CC2)c1 ZINC000585292907 1071041411 /nfs/dbraw/zinc/04/14/11/1071041411.db2.gz UHOKGQJFZLVYQU-SWCXXNJTSA-N 1 0 522.705 6.199 40 0 KKABRO CCOc1ccc(C[NH+]2CCC(Nc3ncnc4sc5c(c43)CC(C)(C)OC5)CC2)cc1Cn1ccnc1 ZINC000585292871 1071041813 /nfs/dbraw/zinc/04/18/13/1071041813.db2.gz PHJDPYAUWBRRJK-UHFFFAOYSA-N 1 0 532.714 5.263 40 0 KKABRO CCCc1nc2sc(C)c(C)c2c(NC2CC[NH+](Cc3ccc(OCc4ccccn4)cc3)CC2)n1 ZINC000585293969 1071043508 /nfs/dbraw/zinc/04/35/08/1071043508.db2.gz CGOBYPIWEUSQHA-UHFFFAOYSA-N 1 0 501.700 6.311 40 0 KKABRO CC(C)[C@@H]1C[C@H](c2ccc(Cl)c(Cl)c2)CO[C@H]1c1ccc(OCC(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000585292474 1071045520 /nfs/dbraw/zinc/04/55/20/1071045520.db2.gz NGKRNWBXSGVWMZ-XODAODHESA-N 1 0 595.611 8.514 40 0 KKABRO O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)c1ccc(C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000408920801 1071098195 /nfs/dbraw/zinc/09/81/95/1071098195.db2.gz NMRZJBGIOFBCOP-UHFFFAOYSA-N 1 0 561.107 5.715 40 0 KKABRO Cc1cc(C)n(CCCOc2cccc(C[N@@H+]3CCC[C@](O)(COc4ccc(Cl)c(Cl)c4)CC3)c2)n1 ZINC000585271032 1071146552 /nfs/dbraw/zinc/14/65/52/1071146552.db2.gz FMUXPWSPECGEBS-MUUNZHRXSA-N 1 0 532.512 6.072 40 0 KKABRO Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000408710399 1071506850 /nfs/dbraw/zinc/50/68/50/1071506850.db2.gz GTOVMBPSFCNTGN-UHFFFAOYSA-N 1 0 532.493 5.953 40 0 KKABRO O=C(Nc1ccc(Cl)cc1)[C@@H](NCCC[NH2+][C@H](C(=O)Nc1ccc(Cl)cc1)c1ccccc1)c1ccccc1 ZINC000408734053 1071567634 /nfs/dbraw/zinc/56/76/34/1071567634.db2.gz GMWBGLVMTVJDJG-VMPREFPWSA-N 1 0 561.513 6.623 40 0 KKABRO CC1(C)COCCC[C@H]2C[N@H+](CCCc3ccccc3)CC[C@H]2CC(=O)N(Cc2ccccc2)C[C@@H]1O ZINC001534613789 1073173031 /nfs/dbraw/zinc/17/30/31/1073173031.db2.gz YHIKPUDWVANIJP-DTXPUJKBSA-N 1 0 506.731 5.174 40 0 KKABRO COc1ccc([C@H](CC(=O)N[C@H]2C[NH+]3CCC2CC3)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc1 ZINC001547208926 1073192206 /nfs/dbraw/zinc/19/22/06/1073192206.db2.gz JOUKIHLICWFCAO-ZRKWFTTGSA-N 1 0 604.744 5.321 40 0 KKABRO COc1ccc(CCc2nc3cc(-c4c(C)noc4C)ccc3n2CC(C)[NH+]2CCOCC2)cc1Cl ZINC001560406105 1073194884 /nfs/dbraw/zinc/19/48/84/1073194884.db2.gz SRUFSVDMTMZNFQ-UHFFFAOYSA-N 1 0 508.042 5.639 40 0 KKABRO Cc1ccc2[nH]c(C(=O)Nc3ccc(N4CC[NH+](C(c5ccccc5)c5ccccc5)CC4)cc3)cc2c1 ZINC000033468404 1073203149 /nfs/dbraw/zinc/20/31/49/1073203149.db2.gz UAYDYMNHNNCLIP-UHFFFAOYSA-N 1 0 500.646 6.640 40 0 KKABRO O=C1c2cc(Br)cc(Br)c2OC[C@]1(C[NH+]1CCCC1)Sc1ccc(Cl)cc1 ZINC000001102044 551608877 /nfs/dbraw/zinc/60/88/77/551608877.db2.gz KOPLMUZJHMYQSF-FQEVSTJZSA-N 1 0 531.697 6.067 40 0 KKABRO CCC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCCC1 ZINC000001335568 551645392 /nfs/dbraw/zinc/64/53/92/551645392.db2.gz BIUIJGDGVGNTFU-SANMLTNESA-N 1 0 546.647 5.149 40 0 KKABRO CCC[C@H](c1nnnn1Cc1ccc(OC)cc1)N(Cc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001335477 551645410 /nfs/dbraw/zinc/64/54/10/551645410.db2.gz LVRWKEJMGWHUMS-GDLZYMKVSA-N 1 0 538.652 5.124 40 0 KKABRO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)N(Cc1ccc(F)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374733 551654712 /nfs/dbraw/zinc/65/47/12/551654712.db2.gz OVRIOMKDDUMKSS-MHZLTWQESA-N 1 0 530.579 5.003 40 0 KKABRO CC[C@@H](c1nnnn1Cc1ccco1)N(Cc1ccc(F)cc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000001375497 551657352 /nfs/dbraw/zinc/65/73/52/551657352.db2.gz KKPLKKQAMKTCKV-VWLOTQADSA-N 1 0 500.578 5.065 40 0 KKABRO CC[C@H](c1nnnn1Cc1ccco1)N(Cc1ccc(F)cc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000001375498 551657374 /nfs/dbraw/zinc/65/73/74/551657374.db2.gz KKPLKKQAMKTCKV-RUZDIDTESA-N 1 0 500.578 5.065 40 0 KKABRO CCCC[NH+](CCCC)C[C@H](O)c1cc(-c2cccc(I)c2)nc2c(Cl)cc(Cl)cc12 ZINC000001726152 551690603 /nfs/dbraw/zinc/69/06/03/551690603.db2.gz ZYFNRUZELOGRDJ-DEOSSOPVSA-N 1 0 571.330 7.749 40 0 KKABRO COc1cc(C)c(Sc2cnc(NC(=O)c3ccc(C[NH2+][C@H](C)C(C)(C)C)cc3)s2)cc1C(=O)N1CCN(C(C)=O)CC1 ZINC000003962966 552423920 /nfs/dbraw/zinc/42/39/20/552423920.db2.gz ZHXNIYGJAOPMSO-OAQYLSRUSA-N 1 0 623.845 5.692 40 0 in-vitro KKABRO CCCC[NH+](CCCC)C[C@H](N=O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2c(Cl)cc(Cl)cc12 ZINC000005486390 552502971 /nfs/dbraw/zinc/50/29/71/552502971.db2.gz QSGRNWBDMLJFAR-DEOSSOPVSA-N 1 0 527.323 9.225 40 0 KKABRO CCCc1ccc(Oc2c(=O)c3ccc(OC(=O)c4ccc(C(C)(C)C)cc4)c(C[NH+](CCC)CCC)c3oc2C(F)(F)F)cc1 ZINC000006166859 552557216 /nfs/dbraw/zinc/55/72/16/552557216.db2.gz RAOUBFMAGCFOTP-UHFFFAOYSA-N 1 0 637.739 9.695 40 0 KKABRO CC[NH+](CC)CCCN(C(=O)c1ccc(-c2ccccc2)[nH]1)[C@H](C(=O)NC1CCCCC1)c1ccco1 ZINC000006511218 552597016 /nfs/dbraw/zinc/59/70/16/552597016.db2.gz SIDCSMMFJRCSIF-NDEPHWFRSA-N 1 0 504.675 5.639 40 0 KKABRO CC[NH+](CC)CCCN(C(=O)c1cc2c(C)nn(-c3ccccc3)c2s1)c1nc(-c2ccccc2)cs1 ZINC000006511315 552597258 /nfs/dbraw/zinc/59/72/58/552597258.db2.gz HJCZJDVFMMHKKA-UHFFFAOYSA-N 1 0 529.735 6.898 40 0 KKABRO Cc1cc(OC[C@@H](O)C[NH+]2CCC(CN3C(=O)c4cccc5cccc(c54)C3=O)CC2)ccc1C(C)C ZINC000012170458 553353263 /nfs/dbraw/zinc/35/32/63/553353263.db2.gz BHCJBRXBFJAPRF-DEOSSOPVSA-N 1 0 500.639 5.020 40 0 KKABRO O=C(NC1CCCC1)[C@H](c1ccc(F)cc1)N(C(=O)c1ccc(C[NH+]2CCCCC2)o1)c1ccccc1 ZINC000012702590 553413991 /nfs/dbraw/zinc/41/39/91/553413991.db2.gz MIUNXJMAPYFSCR-NDEPHWFRSA-N 1 0 503.618 5.852 40 0 KKABRO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013063887 553443634 /nfs/dbraw/zinc/44/36/34/553443634.db2.gz NBLRDPHOEDEEAA-MHZLTWQESA-N 1 0 500.647 5.166 40 0 KKABRO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013064952 553444338 /nfs/dbraw/zinc/44/43/38/553444338.db2.gz GLPAFWPORRJRJB-HHHXNRCGSA-N 1 0 502.638 5.605 40 0 KKABRO CC[C@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)C1CCCCC1 ZINC000013064532 553444377 /nfs/dbraw/zinc/44/43/77/553444377.db2.gz WYACRMMWNFEAMM-AREMUKBSSA-N 1 0 530.673 5.061 40 0 KKABRO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1cc2ccc(C)c(C)c2[nH]c1=O)C1CCCCC1 ZINC000013065115 553444546 /nfs/dbraw/zinc/44/45/46/553444546.db2.gz MORWGSUGVDIAMI-SANMLTNESA-N 1 0 502.638 5.605 40 0 KKABRO Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)NCCC[NH+]2CCCC2)cc1)S(=O)(=O)c1ccccc1 ZINC000013670293 553481624 /nfs/dbraw/zinc/48/16/24/553481624.db2.gz FGYSRUAWZXVPAE-UHFFFAOYSA-N 1 0 526.102 5.260 40 0 KKABRO O=C(NCCC[NH+]1CCCCCC1)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1 ZINC000013673355 553482278 /nfs/dbraw/zinc/48/22/78/553482278.db2.gz QHMXDGVSSGOPFN-UHFFFAOYSA-N 1 0 505.684 5.078 40 0 KKABRO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1cccc(-c2cc3ccccc3oc2=O)c1 ZINC000014291062 553511654 /nfs/dbraw/zinc/51/16/54/553511654.db2.gz QQNZVEAEJUONIO-UHFFFAOYSA-N 1 0 515.613 6.035 40 0 KKABRO CCCCc1oc2ccccc2c1C(=O)c1ccc(OCC[NH+](CC)CC)c(I)c1 ZINC000014969363 553522865 /nfs/dbraw/zinc/52/28/65/553522865.db2.gz DKWLFFXBYKTKRM-UHFFFAOYSA-N 1 0 519.423 6.332 40 0 in-vitro KKABRO COc1cc(C[NH2+]C[C@H](O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000016195590 553556405 /nfs/dbraw/zinc/55/64/05/553556405.db2.gz IHLWXYDEKSPRMS-NRFANRHFSA-N 1 0 511.243 6.167 40 0 KKABRO CCOc1cc(C[NH2+]CCc2c[nH]c3ccccc23)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000016688441 553573110 /nfs/dbraw/zinc/57/31/10/553573110.db2.gz AFCMOWDNOKHFML-UHFFFAOYSA-N 1 0 513.863 6.894 40 0 KKABRO CC[NH+](CC)C[C@]1(Cc2ccc(C)cc2)COc2c(Br)c(C)c(Br)cc2C1=O ZINC000019596867 553615019 /nfs/dbraw/zinc/61/50/19/553615019.db2.gz PJUFHSYSRXTQSK-HSZRJFAPSA-N 1 0 509.282 5.974 40 0 KKABRO CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)[NH+](Cc1ccccc1)Cc1ccccc1)N1CCCNC1=O ZINC000072131177 553642641 /nfs/dbraw/zinc/64/26/41/553642641.db2.gz UBGZSNXVLPIOGP-GTKRZRNESA-N 1 0 646.876 6.219 40 0 in-vitro KKABRO Cc1nc2n(c(=O)c1CC[NH+]1CCC(C(=O)c3ccc(F)cc3N3CCC(c4noc5cc(F)ccc54)CC3)CC1)CCCC2 ZINC000072131320 553642910 /nfs/dbraw/zinc/64/29/10/553642910.db2.gz KFSXRPYSFQCHPR-UHFFFAOYSA-N 1 0 615.725 5.829 40 0 in-vitro KKABRO CC1CC[NH+](Cc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4cccc5ccccc54)cc3)cc2)CC1 ZINC000020459807 553654838 /nfs/dbraw/zinc/65/48/38/553654838.db2.gz RLBMUMVBFYTCJE-UHFFFAOYSA-N 1 0 513.663 6.125 40 0 KKABRO COc1ccccc1OCC[NH2+]C[C@@H](O)COc1cccc2c1c1ccccc1n2C[C@H](O)COc1cccc2[nH]c3ccccc3c21 ZINC000077285257 553657845 /nfs/dbraw/zinc/65/78/45/553657845.db2.gz USBVSUHNTUBUMY-SXOMAYOGSA-N 1 0 645.756 6.286 40 0 in-vitro KKABRO CCC[NH+](C[C@@H](O)COc1ccccc1C(=O)CCc1ccccc1)C[C@@H](O)COc1ccccc1C(=O)CCc1ccccc1 ZINC000077312636 553663951 /nfs/dbraw/zinc/66/39/51/553663951.db2.gz LSQHIGTXXXXQHQ-CZNDPXEESA-N 1 0 623.790 6.209 40 0 in-vitro KKABRO CCC[N@H+](C[C@@H](O)COc1ccccc1C(=O)CCc1ccccc1)C[C@H](O)COc1ccccc1C(=O)CCc1ccccc1 ZINC000077312633 553663982 /nfs/dbraw/zinc/66/39/82/553663982.db2.gz LSQHIGTXXXXQHQ-CZFRINIUSA-N 1 0 623.790 6.209 40 0 in-vitro KKABRO Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C[NH+]4CCC(C)CC4)cc3)cc2)cc1Cl ZINC000020495278 553667265 /nfs/dbraw/zinc/66/72/65/553667265.db2.gz BMQVFJBGBKWZTJ-UHFFFAOYSA-N 1 0 512.075 5.933 40 0 KKABRO COc1cc(C[NH2+][C@@H](C)C23CC4CC(CC(C4)C2)C3)cc(Br)c1OCc1ccccc1F ZINC000022073637 553725482 /nfs/dbraw/zinc/72/54/82/553725482.db2.gz SATYIXHEXPULQW-AWYKWWOESA-N 1 0 502.468 6.870 40 0 KKABRO CCOc1cc(C[NH2+]C2CCCCCCC2)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000022076312 553725846 /nfs/dbraw/zinc/72/58/46/553725846.db2.gz CDSSLAKMTNSPCH-UHFFFAOYSA-N 1 0 515.319 7.936 40 0 KKABRO COc1cc(C[NH2+]C(C)(C)CC(C)(C)C)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000022076251 553725851 /nfs/dbraw/zinc/72/58/51/553725851.db2.gz HXQZYWWBFCZPNA-UHFFFAOYSA-N 1 0 503.308 7.648 40 0 KKABRO COc1cc(C[NH2+]CCSc2nnnn2-c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000022107940 553726051 /nfs/dbraw/zinc/72/60/51/553726051.db2.gz LZZGFYSVKVNVKF-UHFFFAOYSA-N 1 0 516.454 5.439 40 0 KKABRO Clc1ccc(COc2ccc(Cl)cc2C[NH2+]CCCSc2nnnn2-c2ccccc2)cc1 ZINC000022108981 553726485 /nfs/dbraw/zinc/72/64/85/553726485.db2.gz MYVBIUIYYOAZIW-UHFFFAOYSA-N 1 0 500.455 5.820 40 0 KKABRO COc1cc(C[NH2+]CCCSc2nnnn2-c2ccccc2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000022108959 553726526 /nfs/dbraw/zinc/72/65/26/553726526.db2.gz GBCZUMCBCCKJBO-UHFFFAOYSA-N 1 0 514.026 5.314 40 0 KKABRO CC[NH+]1CCN(c2ccc(NC(=S)NC(=O)C=Cc3ccc(-c4ccc(C)c(Cl)c4)o3)cc2)CC1 ZINC000022833565 553756088 /nfs/dbraw/zinc/75/60/88/553756088.db2.gz YMAWINOXEBZXDT-ACCUITESSA-N 1 0 509.075 5.577 40 0 KKABRO Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(N4CC[NH+](Cc5ccccc5)CC4)cc3)o2)cc1Cl ZINC000022836094 553757055 /nfs/dbraw/zinc/75/70/55/553757055.db2.gz OSMRAXYRZCXZGV-JQIJEIRASA-N 1 0 512.053 6.883 40 0 KKABRO Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)cc2c1 ZINC000022869664 553764587 /nfs/dbraw/zinc/76/45/87/553764587.db2.gz DLPQBRGYCBKZND-MGBGTMOVSA-N 1 0 573.745 5.743 40 0 KKABRO Cc1cc(C)c2cc([C@H](c3nnnn3C3CCCC3)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c(=O)[nH]c2c1 ZINC000022869823 553764986 /nfs/dbraw/zinc/76/49/86/553764986.db2.gz KKJVGWXWDDKFBQ-MGBGTMOVSA-N 1 0 573.745 5.743 40 0 KKABRO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)cc2c1 ZINC000022871732 553765550 /nfs/dbraw/zinc/76/55/50/553765550.db2.gz WVAHWUPOFBSAIR-MGBGTMOVSA-N 1 0 573.745 5.825 40 0 KKABRO Cc1ccc2cc([C@H](c3nnnn3C3CCCC3)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c(=O)[nH]c2c1C ZINC000022872750 553765784 /nfs/dbraw/zinc/76/57/84/553765784.db2.gz GTJNTBFHUNTRRR-MGBGTMOVSA-N 1 0 573.745 5.743 40 0 KKABRO O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000025778563 553813585 /nfs/dbraw/zinc/81/35/85/553813585.db2.gz UVUYUQVOAGVRAU-UHFFFAOYSA-N 1 0 518.466 6.032 40 0 KKABRO C[NH+]1CCN(c2ccccc2NC(=S)NC(=O)C=Cc2ccc(-c3cccc(Cl)c3Cl)o2)CC1 ZINC000035153482 554036421 /nfs/dbraw/zinc/03/64/21/554036421.db2.gz MRDGIKPLQTXZPL-ZRDIBKRKSA-N 1 0 515.466 5.532 40 0 KKABRO O=C(NC1CCCCC1)[C@H](c1ccc(F)cc1)N(C(=O)c1ccc(-c2ccccc2)[nH]1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000100275510 554271891 /nfs/dbraw/zinc/27/18/91/554271891.db2.gz DJUIHZXKTPWJJM-DHUJRADRSA-N 1 0 592.759 7.118 40 0 KKABRO Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000039759400 554280175 /nfs/dbraw/zinc/28/01/75/554280175.db2.gz DFHIKAXKZAYOJE-UHFFFAOYSA-N 1 0 516.038 5.439 40 0 KKABRO CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)C3CC[NH+](Cc4cccc(C)c4)CC3)cc2)cc1 ZINC000039763562 554280650 /nfs/dbraw/zinc/28/06/50/554280650.db2.gz GXJFRYKUPAWVOR-UHFFFAOYSA-N 1 0 507.656 5.045 40 0 KKABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c2cc(Cl)ccc2C)cc1 ZINC000044857279 554305740 /nfs/dbraw/zinc/30/57/40/554305740.db2.gz CHCIPWCWGMQKMI-UHFFFAOYSA-N 1 0 526.102 5.064 40 0 KKABRO Cc1c(Cl)cccc1N(CC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)S(=O)(=O)c1ccccc1 ZINC000044873567 554306460 /nfs/dbraw/zinc/30/64/60/554306460.db2.gz JJNZBUPIAMJXOJ-UHFFFAOYSA-N 1 0 526.102 5.146 40 0 KKABRO CCc1ccccc1N(CC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000044873633 554306500 /nfs/dbraw/zinc/30/65/00/554306500.db2.gz RAWRLVKOKQHIHH-UHFFFAOYSA-N 1 0 519.711 5.055 40 0 KKABRO CC[C@H](c1nnnn1C1CCCCC1)N(Cc1ccc(C)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000057641036 554361439 /nfs/dbraw/zinc/36/14/39/554361439.db2.gz VEQMDDLBFKBJCL-HHHXNRCGSA-N 1 0 500.647 5.490 40 0 KKABRO COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c1 ZINC000059294339 554387799 /nfs/dbraw/zinc/38/77/99/554387799.db2.gz LCNQOMQETLRYIH-UXBLZVDNSA-N 1 0 514.409 5.444 40 0 KKABRO CC(C)c1ccc(C[NH+]2CCc3nc4cc([C@H]5CCC[N@@H+](Cc6ccc(C(C)C)cc6)C5)[n-]n4c(=O)c3C2)cc1 ZINC000100493052 554403471 /nfs/dbraw/zinc/40/34/71/554403471.db2.gz OQXAFGFVOOAPSX-LJAQVGFWSA-N 1 0 537.752 6.620 40 0 KKABRO Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)cc1 ZINC000059882958 554459207 /nfs/dbraw/zinc/45/92/07/554459207.db2.gz HPYIXHYWNXWCOV-UHFFFAOYSA-N 1 0 546.092 6.260 40 0 KKABRO Cc1ccc2c(c1C)NC(=O)[C@]21[N@@H+]2CCC[C@@H]2[C@@H](C(=O)c2ccc3ccccc3c2)[C@]12c1ccccc1NC2=O ZINC000059932649 554481811 /nfs/dbraw/zinc/48/18/11/554481811.db2.gz YOTKJXYNGWBHAW-RYJMLKPZSA-N 1 0 527.624 5.471 40 0 KKABRO O=C1c2cc(Br)cc(Br)c2OC[C@]1(Cc1ccc(Cl)cc1)C[NH+]1CCCCC1 ZINC000100959215 554541990 /nfs/dbraw/zinc/54/19/90/554541990.db2.gz PZABGFTXXLORKT-QFIPXVFZSA-N 1 0 527.684 6.155 40 0 KKABRO Cc1c(Br)cc2c(c1Br)OC[C@](C[N@H+]1CCC[C@H](C)C1)(Sc1ccccc1)C2=O ZINC000100972303 554544473 /nfs/dbraw/zinc/54/44/73/554544473.db2.gz OUUCQJLMIWZHLA-WNSKOXEYSA-N 1 0 539.333 6.358 40 0 KKABRO CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)CCCCCN2C(=O)S/C(=C\c3ccc(Cl)cc3)C2=O)cc1 ZINC000101001460 554552496 /nfs/dbraw/zinc/55/24/96/554552496.db2.gz FESBWVUHGPHMRJ-QQTULTPQSA-N 1 0 572.127 6.074 40 0 KKABRO CCOc1ccc([C@@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000101017498 554561073 /nfs/dbraw/zinc/56/10/73/554561073.db2.gz JPTCFRVXMOPVRI-YTTGMZPUSA-N 1 0 538.757 8.060 40 0 KKABRO Cc1ccc(N(C(=O)C[N@H+](CCO)C2CCCCC2)[C@H]2C[C@@H](C)N(C(=O)c3ccco3)c3ccc(C)cc32)cc1 ZINC000101994104 554864722 /nfs/dbraw/zinc/86/47/22/554864722.db2.gz YJXLQFWGGIPOKB-RNAHPLFWSA-N 1 0 543.708 6.037 40 0 KKABRO COc1cc(C[NH2+]CCCSc2nnnn2-c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000102558633 554965811 /nfs/dbraw/zinc/96/58/11/554965811.db2.gz NKQRKYYELIATFJ-UHFFFAOYSA-N 1 0 564.926 6.482 40 0 KKABRO CCOc1cc(C[NH2+]CCCSc2nnnn2-c2ccccc2)cc(Cl)c1OCc1ccccc1F ZINC000102558648 554965880 /nfs/dbraw/zinc/96/58/80/554965880.db2.gz ZVZYULSQWCCHFW-UHFFFAOYSA-N 1 0 528.053 5.705 40 0 KKABRO CCOc1cc(C[NH2+]CCSc2nnnn2-c2ccccc2)cc(Br)c1OCc1ccccc1F ZINC000102559320 554966530 /nfs/dbraw/zinc/96/65/30/554966530.db2.gz JXDZMCAQNNWTLC-UHFFFAOYSA-N 1 0 558.477 5.424 40 0 KKABRO Cc1ccc2c(c1C)NC(=O)[C@]21[N@@H+]2CCC[C@H]2[C@@H](C(=O)c2ccc3ccccc3c2)[C@]12c1ccccc1NC2=O ZINC000102769208 555056677 /nfs/dbraw/zinc/05/66/77/555056677.db2.gz YOTKJXYNGWBHAW-IFYYNRDRSA-N 1 0 527.624 5.471 40 0 KKABRO O=C(c1ccc(Cl)cc1Cl)[C@H]1[C@@H]2CCCN2[C@]2(C(=O)Nc3c2cccc3Cl)[C@]12C(=O)Nc1ccccc12 ZINC000103536551 555435889 /nfs/dbraw/zinc/43/58/89/555435889.db2.gz KTRQPGCQCLNHPI-ICLSSZMYSA-N 1 0 552.845 5.661 40 0 KKABRO COc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccccc3Cl)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN32)cc1 ZINC000103536459 555435907 /nfs/dbraw/zinc/43/59/07/555435907.db2.gz HQINTFJHPQGABW-YCHSVXFSSA-N 1 0 561.037 6.330 40 0 KKABRO Cc1nc(-c2cccs2)cc([C@H]2C[N@@H+]3CC[C@H]2C[C@@H]3COC(=O)Nc2cccc(C(F)(F)F)c2)n1 ZINC000008623426 560107508 /nfs/dbraw/zinc/10/75/08/560107508.db2.gz NRNNBYYALZQSIK-DBVUQKKJSA-N 1 0 502.562 5.959 40 0 biogenic,in-vitro KKABRO CCCOc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3cccs3)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000103288150 571361630 /nfs/dbraw/zinc/36/16/30/571361630.db2.gz UYDGXMBPUCJLHT-GGVMLGSCSA-N 1 0 560.675 6.519 40 0 KKABRO CCCOc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccc(OC)cc3OC)N3C=Cc4ccccc4[C@@H]3[C@@]23c2ccccc2NC3=O)cc1 ZINC000103288050 571361642 /nfs/dbraw/zinc/36/16/42/571361642.db2.gz BSKCIARFZJDADB-FBMCJCTKSA-N 1 0 614.698 6.474 40 0 KKABRO COc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccccn3)N3C=Cc4ccccc4[C@@H]3[C@@]23c2ccccc2NC3=O)cc1OC ZINC000103529022 571361760 /nfs/dbraw/zinc/36/17/60/571361760.db2.gz SUJODGZTLOJDDP-GGVMLGSCSA-N 1 0 557.606 5.081 40 0 KKABRO Cc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)[C@H]([NH2+]CCOc2ccc(C(C)(C)C)cc2)c2ccccc2)cc1 ZINC000104497397 571381218 /nfs/dbraw/zinc/38/12/18/571381218.db2.gz LHEUAZAVUDLWGE-ZWXJPIIXSA-N 1 0 542.745 6.722 40 0 KKABRO O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000105318471 571400809 /nfs/dbraw/zinc/40/08/09/571400809.db2.gz MODUZJJOZXYIAC-BMRADRMJSA-N 1 0 557.119 6.449 40 0 KKABRO O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000105318499 571400994 /nfs/dbraw/zinc/40/09/94/571400994.db2.gz HQVPEAYEQSLMTK-ACCUITESSA-N 1 0 591.564 7.102 40 0 KKABRO CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CC[NH+]5CCCCC5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118918202 571444482 /nfs/dbraw/zinc/44/44/82/571444482.db2.gz UVVRCAOQNORAME-SJTWHRLHSA-N 1 0 525.862 8.816 40 0 KKABRO C[NH+](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](NC(=O)N[C@@H](Cc5ccccc5)c5nccs5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000118930632 571447524 /nfs/dbraw/zinc/44/75/24/571447524.db2.gz QPOUCHIQTFZFLC-PVHWQWDDSA-N 1 0 548.841 7.068 40 0 KKABRO C[C@@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23COC(=O)c2ccccc2)[N@H+]2C[C@H](C)CC[C@@H]12 ZINC000118936292 571447914 /nfs/dbraw/zinc/44/79/14/571447914.db2.gz YAMLGKVIAKRQOH-JDQIZAMHSA-N 1 0 517.754 6.492 40 0 KKABRO C[NH+](C)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Br)cc2F)o1 ZINC000223244979 571449813 /nfs/dbraw/zinc/44/98/13/571449813.db2.gz HNPASMDGVZQZLI-FCHUYYIVSA-N 1 0 503.441 5.167 40 0 KKABRO CCOc1ccccc1N(CC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)S(=O)(=O)c1ccc(SC)cc1 ZINC000139880349 571454181 /nfs/dbraw/zinc/45/41/81/571454181.db2.gz YDSLLVXLZUEACE-UHFFFAOYSA-N 1 0 567.777 5.305 40 0 KKABRO Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000139876156 571454194 /nfs/dbraw/zinc/45/41/94/571454194.db2.gz IVDGRYWVXTXACZ-UHFFFAOYSA-N 1 0 602.200 6.960 40 0 KKABRO CC1CC[NH+](Cc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3)cc2)CC1 ZINC000140141648 571455480 /nfs/dbraw/zinc/45/54/80/571455480.db2.gz OLHCZALAJUBSDX-UHFFFAOYSA-N 1 0 531.600 5.990 40 0 KKABRO COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c3nc(NC(=O)C(C)C)[nH]c4=O)C[C@@H]2OP(OC)[NH+](C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000150372336 571465971 /nfs/dbraw/zinc/46/59/71/571465971.db2.gz ZPHYBBFOEAOOMN-GLZGRNIESA-N 1 0 800.894 7.405 40 0 KKABRO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1CCC[NH+]1CCOCC1 ZINC000224125488 571481178 /nfs/dbraw/zinc/48/11/78/571481178.db2.gz WUNHBZBHICCTCD-GNJBSGFSSA-N 1 0 621.295 6.535 40 0 KKABRO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c(C)n1CCC[NH+]1CCOCC1 ZINC000224263914 571509461 /nfs/dbraw/zinc/50/94/61/571509461.db2.gz BMYRMQXRUKIWLP-VSGBNLITSA-N 1 0 503.716 5.016 40 0 KKABRO O[C@H](Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21)C[NH+](C[C@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21)C[C@@H]1CCCO1 ZINC000150502430 571518986 /nfs/dbraw/zinc/51/89/86/571518986.db2.gz WSQAWOBAVBJCPO-QKDODKLFSA-N 1 0 685.479 8.419 40 0 KKABRO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1CCC[NH+]1CCOCC1 ZINC000224491741 571559097 /nfs/dbraw/zinc/55/90/97/571559097.db2.gz GIRSMXNJILOPHR-UIOOFZCWSA-N 1 0 554.558 5.162 40 0 KKABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c2cccc(Cl)c2Cl)cc1 ZINC000224504560 571562303 /nfs/dbraw/zinc/56/23/03/571562303.db2.gz YULQOGSKYGKTQQ-UHFFFAOYSA-N 1 0 546.520 5.409 40 0 KKABRO C[NH+](C)C/C=C/C(=O)Nc1cccc(C(=O)Nc2cccc(Nc3ncc(Cl)c(-c4c[nH]c5ccccc54)n3)c2)c1 ZINC000214463223 571579386 /nfs/dbraw/zinc/57/93/86/571579386.db2.gz FONRCZUZCHXWBD-VGOFMYFVSA-N 1 0 566.065 6.331 40 0 KKABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2cccc(C[NH+]3CCCC3)c2)c2ccc(C(C)C)cc2)cc1 ZINC000224596444 571582964 /nfs/dbraw/zinc/58/29/64/571582964.db2.gz OGPJOXPOSHCCMU-UHFFFAOYSA-N 1 0 519.711 5.226 40 0 KKABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2cccc(C[NH+]3CCCC3)c2)c2cccc(Cl)c2Cl)cc1 ZINC000224620089 571588497 /nfs/dbraw/zinc/58/84/97/571588497.db2.gz LMWYRGBLTMZYAX-UHFFFAOYSA-N 1 0 546.520 5.409 40 0 KKABRO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1CCC[NH+]1CCOCC1 ZINC000224633228 571591106 /nfs/dbraw/zinc/59/11/06/571591106.db2.gz KWGZNYUDTOZBBK-ZWXJPIIXSA-N 1 0 567.759 6.192 40 0 KKABRO O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224649171 571594785 /nfs/dbraw/zinc/59/47/85/571594785.db2.gz JVHXXUZSSRWUML-UHFFFAOYSA-N 1 0 545.627 5.203 40 0 KKABRO O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224649943 571594946 /nfs/dbraw/zinc/59/49/46/571594946.db2.gz IMOCMRBDWCCOJR-UHFFFAOYSA-N 1 0 580.072 5.856 40 0 KKABRO CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C[N@@H+]4CCC[C@@H](C)C4)cc3)cc2)cc1 ZINC000216366447 571595263 /nfs/dbraw/zinc/59/52/63/571595263.db2.gz GWSYGOZLNQZKGN-OAQYLSRUSA-N 1 0 507.656 5.370 40 0 KKABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2cccc(C[NH+]3CCCCC3)c2)c2ccc(C)c(Cl)c2)cc1 ZINC000224652506 571595874 /nfs/dbraw/zinc/59/58/74/571595874.db2.gz RFOMVKMDGBPQNH-UHFFFAOYSA-N 1 0 540.129 5.454 40 0 KKABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2cccc(C[NH+]3CCCCC3)c2)c2cc(Cl)ccc2C)cc1 ZINC000224652371 571595980 /nfs/dbraw/zinc/59/59/80/571595980.db2.gz NWOBGQWGKBSHPY-UHFFFAOYSA-N 1 0 540.129 5.454 40 0 KKABRO Cc1ccccc1Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cc[nH+]cc2)cc1 ZINC000224662298 571598147 /nfs/dbraw/zinc/59/81/47/571598147.db2.gz ZHACZWCHHVRFPQ-FQLXRVMXSA-N 1 0 503.631 6.545 40 0 KKABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2cccc(C[NH+]3CCCCC3)c2)c2cccc(Cl)c2Cl)cc1 ZINC000224678110 571601450 /nfs/dbraw/zinc/60/14/50/571601450.db2.gz XISSSJNWEXEEQN-UHFFFAOYSA-N 1 0 560.547 5.799 40 0 KKABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2cccc(C[NH+]3CCCCC3)c2)c2ccc(Cl)c(Cl)c2)cc1 ZINC000224678255 571601568 /nfs/dbraw/zinc/60/15/68/571601568.db2.gz LZEATTCFIBDNKL-UHFFFAOYSA-N 1 0 560.547 5.799 40 0 KKABRO O=c1sc2cc(S(=O)(=O)NCc3cccc(C[NH+]4CCCCC4)c3)ccc2n1Cc1ccccc1Cl ZINC000224705862 571607003 /nfs/dbraw/zinc/60/70/03/571607003.db2.gz DBBPPWQEDLLIOF-UHFFFAOYSA-N 1 0 542.126 5.229 40 0 KKABRO O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NCc1ccccc1C[NH+]1CCCC1 ZINC000224761455 571614667 /nfs/dbraw/zinc/61/46/67/571614667.db2.gz HCUFVUJVLAYSAL-UHFFFAOYSA-N 1 0 566.045 5.466 40 0 KKABRO COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000224768535 571615269 /nfs/dbraw/zinc/61/52/69/571615269.db2.gz MDJCEAPPCJCGSN-UHFFFAOYSA-N 1 0 569.727 5.617 40 0 KKABRO O=C(CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000224810922 571619325 /nfs/dbraw/zinc/61/93/25/571619325.db2.gz MEOPCJMBJLJVAB-UHFFFAOYSA-N 1 0 580.072 5.856 40 0 KKABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2C[NH+]2CCCCC2)c2cc(Cl)cc(Cl)c2)cc1 ZINC000224812514 571619530 /nfs/dbraw/zinc/61/95/30/571619530.db2.gz NAEFGHLNZPWVQP-UHFFFAOYSA-N 1 0 560.547 5.799 40 0 KKABRO CCOc1ccc(N(CC(=O)NCc2ccccc2C[NH+]2CCCCC2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000224816910 571619810 /nfs/dbraw/zinc/61/98/10/571619810.db2.gz RGVBCOUMOUMLKM-UHFFFAOYSA-N 1 0 556.128 5.236 40 0 KKABRO CS(=O)(=O)N(Cc1c(Cl)cccc1Cl)c1ccc(C(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000224825742 571620757 /nfs/dbraw/zinc/62/07/57/571620757.db2.gz IYZVJSMWDKFZJS-UHFFFAOYSA-N 1 0 560.547 5.876 40 0 KKABRO O=C(CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccccc1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000224833127 571621527 /nfs/dbraw/zinc/62/15/27/571621527.db2.gz UQFFMXPBJAYZGK-UHFFFAOYSA-N 1 0 546.520 5.491 40 0 KKABRO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1CCC[NH+]1CCOCC1 ZINC000224925520 571630578 /nfs/dbraw/zinc/63/05/78/571630578.db2.gz AESZIJNOEBTGKJ-RRPNLBNLSA-N 1 0 568.585 5.470 40 0 KKABRO CC(C)C(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cc[nH+]cc2)cc1Cl ZINC000225123802 571649662 /nfs/dbraw/zinc/64/96/62/571649662.db2.gz VMVVDIOBPUUHGC-RPBOFIJWSA-N 1 0 517.058 5.692 40 0 KKABRO CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(CCC[NH+]3CCOCC3)c2C)cc1C ZINC000225154925 571652829 /nfs/dbraw/zinc/65/28/29/571652829.db2.gz QKHGDIJHLTZSRK-KYJUHHDHSA-N 1 0 560.768 5.056 40 0 KKABRO Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCc3ccc(C[NH+]4CCCCC4)cc3)Oc3ccc(C(C)(C)C)cc32)cc1 ZINC000260892365 571808085 /nfs/dbraw/zinc/80/80/85/571808085.db2.gz YLCPKMHHPDWURM-WJOKGBTCSA-N 1 0 575.775 5.551 40 0 KKABRO Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCc3ccccc3C[NH+]3CCCC3)Oc3ccc(C(C)(C)C)cc32)cc1 ZINC000260895115 571813538 /nfs/dbraw/zinc/81/35/38/571813538.db2.gz INCXOPPOSIHRLM-SSEXGKCCSA-N 1 0 561.748 5.161 40 0 KKABRO C[C@@H]1C[C@@H](C)C[NH+](CCOc2ccc(NC(=O)C3(c4ccc(Cl)cc4Cl)CCCCC3)cc2)C1 ZINC000225556488 571918296 /nfs/dbraw/zinc/91/82/96/571918296.db2.gz NNJIJEAZDFINFF-NHCUHLMSSA-N 1 0 503.514 7.191 40 0 KKABRO C[C@@H]1CCC[N@H+](CCCOc2ccc(NC(=O)C3(c4ccc(Cl)cc4Cl)CCCCC3)cc2)C1 ZINC000225556823 571918763 /nfs/dbraw/zinc/91/87/63/571918763.db2.gz KQODMRVRVHRJIF-OAQYLSRUSA-N 1 0 503.514 7.335 40 0 KKABRO O=C(Nc1ccc(OCCC[NH+]2CCCCCC2)cc1)C1(c2ccc(Cl)cc2Cl)CCCCC1 ZINC000225556967 571919183 /nfs/dbraw/zinc/91/91/83/571919183.db2.gz QECSGWGAGGBERO-UHFFFAOYSA-N 1 0 503.514 7.479 40 0 KKABRO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c(C)n1CCC[NH+]1CCOCC1 ZINC000225702812 572033635 /nfs/dbraw/zinc/03/36/35/572033635.db2.gz GGJIDMPMCRDIQV-JHOUSYSJSA-N 1 0 596.801 5.377 40 0 KKABRO C[NH+]1CCC(Oc2ccc(CNC(=S)Nc3cccc(C(=O)c4ccc(C(C)(C)C)cc4)c3)cc2)CC1 ZINC000225773344 572066497 /nfs/dbraw/zinc/06/64/97/572066497.db2.gz HKPKDWVNGDSLNL-UHFFFAOYSA-N 1 0 515.723 6.175 40 0 KKABRO C[NH+]1CCC(Oc2ccc(NS(=O)(=O)c3ccc4c(c3)sc(=O)n4Cc3ccc(Cl)cc3)cc2)CC1 ZINC000225793702 572069555 /nfs/dbraw/zinc/06/95/55/572069555.db2.gz QBGCVSSTQMKWOS-UHFFFAOYSA-N 1 0 544.098 5.039 40 0 KKABRO C[NH+](C)CCNc1nc(Nc2cccc(SC(F)(F)F)c2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328990329 572148053 /nfs/dbraw/zinc/14/80/53/572148053.db2.gz INKWAWJQMUFOKL-UHFFFAOYSA-N 1 0 517.499 5.215 40 0 KKABRO C[NH+](C)CCCNc1nc(Nc2ccc(Cl)c(C(F)(F)F)c2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328997332 572148152 /nfs/dbraw/zinc/14/81/52/572148152.db2.gz JPAQYDQBMQBAFT-UHFFFAOYSA-N 1 0 533.904 5.665 40 0 KKABRO Cc1cc(C[N@H+]2CCC[C@](COc3ccc(Cl)c(C)c3)(CC(=O)N3CCN(C)CC3)C2)c(C)s1 ZINC000257202439 572306556 /nfs/dbraw/zinc/30/65/56/572306556.db2.gz ALUCUSBBOHCNHD-MHZLTWQESA-N 1 0 504.140 5.152 40 0 KKABRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)C[C@@H]1CC[C@@H]2[C@@H](O1)c1cc(OCc3ccccc3)ccc1OC2(C)C ZINC000257235067 572309776 /nfs/dbraw/zinc/30/97/76/572309776.db2.gz GWGQFAAYLGEIMB-UFPFOHJASA-N 1 0 560.710 6.393 40 0 KKABRO Cc1cc(OC[C@]2(CC(=O)N3CCOCC3)CCC[N@H+](Cc3cccn3-c3ccccc3Cl)C2)ccc1Cl ZINC000257237086 572309901 /nfs/dbraw/zinc/30/99/01/572309901.db2.gz HFDIMHILRMYONT-PMERELPUSA-N 1 0 556.534 6.003 40 0 KKABRO Cc1ccc(C[N@H+]2CCC[C@](COc3ccc(Cl)c(C)c3)(CC(=O)N(C)Cc3ccccc3)C2)s1 ZINC000257245752 572310595 /nfs/dbraw/zinc/31/05/95/572310595.db2.gz IQYLJFZIIDSQBM-LJAQVGFWSA-N 1 0 511.131 6.728 40 0 KKABRO CC(C)[NH+]1CCC(C(=O)N2CC[C@H](Oc3cccc(Br)c3)[C@@H](CC(=O)N(C)Cc3ccccc3)C2)CC1 ZINC000257258964 572311926 /nfs/dbraw/zinc/31/19/26/572311926.db2.gz KWFXBKRUJOKWGO-LSYYVWMOSA-N 1 0 570.572 5.214 40 0 KKABRO COc1ccc(C[N@@H+]2CCC[C@@](COc3ccc(Cl)c(C)c3)(CC(=O)N(C)Cc3ccccc3)C2)cc1O ZINC000257286022 572314540 /nfs/dbraw/zinc/31/45/40/572314540.db2.gz PJWFANJBHDJHJU-WJOKGBTCSA-N 1 0 537.100 6.073 40 0 KKABRO COCC(=O)N1CC[C@@H]2[C@H](C1)[C@@H](c1ccc(F)c(F)c1)C[N@@H+]2Cc1cccc(-c2ccccc2OC)c1 ZINC000257292744 572315097 /nfs/dbraw/zinc/31/50/97/572315097.db2.gz QMUHBYUNONLQEV-INNMJMHTSA-N 1 0 506.593 5.103 40 0 KKABRO CC(C)(C)n1ccc([C@H]2C[C@@H](C(=O)N3CCC4(C3)CCCCC4)[NH2+][C@H]2c2ccc(C(F)(F)F)cc2)n1 ZINC000257311732 572316999 /nfs/dbraw/zinc/31/69/99/572316999.db2.gz UKTZYHUEJNATKL-NHTMILBNSA-N 1 0 502.625 6.027 40 0 KKABRO Cc1cc(OC[C@]2(CC(=O)N(C)Cc3ccccc3)CCC[N@H+](Cc3cnn(C4CCCCC4)c3)C2)ccc1Cl ZINC000257312412 572317015 /nfs/dbraw/zinc/31/70/15/572317015.db2.gz UNVIEZFIKGCAKB-XIFFEERXSA-N 1 0 563.186 7.060 40 0 KKABRO CCCc1ccc(C[N@@H+]2CCC[C@](COc3ccc(Cl)c(C)c3)(CC(=O)N3CCN(C)CC3)C2)o1 ZINC000257318668 572317689 /nfs/dbraw/zinc/31/76/89/572317689.db2.gz VOYGMGZHZFWQRK-NDEPHWFRSA-N 1 0 502.099 5.019 40 0 KKABRO CC(C)(C)n1ccc([C@@H]2C[C@@H](C(=O)Nc3ccc(OC(F)F)cc3)[NH2+][C@H]2c2ccc(Cl)c(F)c2)n1 ZINC000257325123 572318338 /nfs/dbraw/zinc/31/83/38/572318338.db2.gz WROQLNUTAULMGJ-HSQYWUDLSA-N 1 0 506.956 5.858 40 0 KKABRO CC(C)=CCC[C@@]1(C)Oc2c(OCCC[NH3+])cccc2[C@H]2O[C@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3C[C@@H]21 ZINC000257328440 572318578 /nfs/dbraw/zinc/31/85/78/572318578.db2.gz XFQJGEHMVCZHNP-HFFAFEEMSA-N 1 0 514.707 6.015 40 0 KKABRO CN(Cc1ccccc1)C(=O)CC1(COc2ccccc2)CC[NH+](Cc2cnc(N3CCCCC3)nc2)CC1 ZINC000257332320 572318997 /nfs/dbraw/zinc/31/89/97/572318997.db2.gz XWSXVCVNTXECPC-UHFFFAOYSA-N 1 0 527.713 5.177 40 0 KKABRO Cc1cc(OC[C@@]2(CC(=O)N(C)Cc3ccccc3)CCC[N@@H+](Cc3cccn3C(C)C)C2)ccc1Cl ZINC000257334439 572319315 /nfs/dbraw/zinc/31/93/15/572319315.db2.gz YFWGMKXIDXZIHX-WJOKGBTCSA-N 1 0 522.133 6.741 40 0 KKABRO CC(=O)O[C@H]1CC[C@@]2(C)C(=C[C@@H]([NH2+]C3CCCCC3)[C@@H]3[C@H]4CC[C@@H]([C@@H](C)CCCC(C)C)[C@]4(C)CC[C@H]32)C1 ZINC000257348457 572321282 /nfs/dbraw/zinc/32/12/82/572321282.db2.gz FTLRMZFOMOKYGR-HEOOEISXSA-N 1 0 525.862 8.860 40 0 KKABRO O=C(c1ccc(Br)cc1)[C@@H]1[C@@H](C(=O)c2cccnc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN21 ZINC000106098863 1069715444 /nfs/dbraw/zinc/71/54/44/1069715444.db2.gz HHXFUJSDCGISHF-DJLQPTFLSA-N 1 0 576.450 5.826 40 0 KKABRO Cc1ccccc1C[NH+]1CCC(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)cc2)CC1 ZINC000408710414 1069734794 /nfs/dbraw/zinc/73/47/94/1069734794.db2.gz QLCKQFFHYPKOGE-UHFFFAOYSA-N 1 0 532.493 5.953 40 0 KKABRO CCCOc1ccc(NC(=O)CCCC(=O)Nc2ccc(N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)cc2)cc1 ZINC000110067033 1069802214 /nfs/dbraw/zinc/80/22/14/1069802214.db2.gz BYFSNWPPBPUFNQ-UHFFFAOYSA-N 1 0 590.768 7.135 40 0 KKABRO O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000408920467 1070226078 /nfs/dbraw/zinc/22/60/78/1070226078.db2.gz IWWHTVVEUQVVAP-UHFFFAOYSA-N 1 0 539.701 6.194 40 0 KKABRO CC(C)(C)OC(=O)N1[C@@H](c2ccc(F)cc2)C[C@]2(C)[C@H]1CCC[C@H]([NH2+]Cc1ccc(OCCCO)cc1)[C@H]2O ZINC000585269638 1071017034 /nfs/dbraw/zinc/01/70/34/1071017034.db2.gz FHWIURFMEQYUSN-RUFSVEROSA-N 1 0 542.692 5.347 40 0 KKABRO CCc1nccn1CCCOc1cccc(C[N@@H+]2CCC[C@@](O)(COc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000585270491 1071019547 /nfs/dbraw/zinc/01/95/47/1071019547.db2.gz DTSLGRKFIYSZHD-NDEPHWFRSA-N 1 0 532.512 6.017 40 0 KKABRO COc1ccc(C[NH+]2CCC(O)(COc3ccc(Cl)c(Cl)c3)CC2)cc1OCCCn1ccnc1C ZINC000585270456 1071019754 /nfs/dbraw/zinc/01/97/54/1071019754.db2.gz DHQGJKOGYYZVKZ-UHFFFAOYSA-N 1 0 534.484 5.382 40 0 KKABRO O=C1CCCN1CCCOc1ccc(C[N@H+]2CCC[C@@](O)(COc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000585270091 1071022609 /nfs/dbraw/zinc/02/26/09/1071022609.db2.gz DUDKHCFPIPZAKZ-MHZLTWQESA-N 1 0 521.485 5.181 40 0 KKABRO CCc1nccn1CCOc1ccc(C[N@@H+]2CCC[C@](O)(COc3cc(C)c(Cl)c(C)c3)C2)cc1OC ZINC000585271144 1071024074 /nfs/dbraw/zinc/02/40/74/1071024074.db2.gz KEDALRYUZWHDIW-GDLZYMKVSA-N 1 0 528.093 5.209 40 0 KKABRO Cc1cc(C)n(CCOc2ccc(C[N@H+](CCO)C[C@H](O)CN3c4ccccc4Sc4ccccc43)cc2)n1 ZINC000585271454 1071024325 /nfs/dbraw/zinc/02/43/25/1071024325.db2.gz ZILOEIQAELUNHE-SANMLTNESA-N 1 0 544.721 5.037 40 0 KKABRO CCc1nccn1CCOc1ccc(C[N@@H+]2CCC[C@@](O)(COc3cc(C)c(Cl)c(C)c3)C2)cc1OC ZINC000585271145 1071025110 /nfs/dbraw/zinc/02/51/10/1071025110.db2.gz KEDALRYUZWHDIW-LJAQVGFWSA-N 1 0 528.093 5.209 40 0 KKABRO CCc1nccn1CCCOc1cc(C[NH+]2CCC(COc3cccc(Cl)c3)(OC)CC2)ccc1OC ZINC000585271183 1071025383 /nfs/dbraw/zinc/02/53/83/1071025383.db2.gz KYYXBRRXEGCEEJ-UHFFFAOYSA-N 1 0 528.093 5.637 40 0 KKABRO CCc1nccn1CCCOc1ccc(C[N@@H+]2CCC[C@](COc3ccccc3F)(OC)CC2)cc1OC ZINC000585271102 1071026247 /nfs/dbraw/zinc/02/62/47/1071026247.db2.gz JKJSPUOOUDREGS-PMERELPUSA-N 1 0 525.665 5.512 40 0 KKABRO CCc1nccn1CCCOc1cccc(C[N@@H+]2CCC[C@@](O)(COc3cc(C)c(Cl)c(C)c3)C2)c1 ZINC000585273058 1071029891 /nfs/dbraw/zinc/02/98/91/1071029891.db2.gz NAXZGJGJDXNEJK-LJAQVGFWSA-N 1 0 512.094 5.591 40 0 KKABRO CCc1nccn1CCCOc1cccc(C[N@@H+]2CCC[C@](O)(COc3cc(C)c(Cl)c(C)c3)C2)c1 ZINC000585273054 1071030032 /nfs/dbraw/zinc/03/00/32/1071030032.db2.gz NAXZGJGJDXNEJK-GDLZYMKVSA-N 1 0 512.094 5.591 40 0 KKABRO COc1ccc(C[NH+]2CCC(COc3ccc(C)cc3C)(OC)CC2)cc1OCCCn1cc(C)cn1 ZINC000585274879 1071030746 /nfs/dbraw/zinc/03/07/46/1071030746.db2.gz QENCSVHWKIJTLQ-UHFFFAOYSA-N 1 0 507.675 5.346 40 0 KKABRO COc1cc(C[NH+]2CCC(O)(COc3ccc(Cl)c(Cl)c3)CC2)ccc1OCCCn1ccnc1C ZINC000585272801 1071026755 /nfs/dbraw/zinc/02/67/55/1071026755.db2.gz WXKZVEMZQYIYQL-UHFFFAOYSA-N 1 0 534.484 5.382 40 0 KKABRO CCc1nccn1CCCOc1cc(C[N@@H+]2CCC[C@@](O)(COc3ccc(C)cc3C)CC2)ccc1OC ZINC000585272769 1071026869 /nfs/dbraw/zinc/02/68/69/1071026869.db2.gz WNHFSBZQPANMPN-HKBQPEDESA-N 1 0 521.702 5.336 40 0 KKABRO CCc1nccn1CCCOc1cc(C[N@@H+]2CCC[C@](O)(COc3ccc(C)cc3C)CC2)ccc1OC ZINC000585272772 1071026914 /nfs/dbraw/zinc/02/69/14/1071026914.db2.gz WNHFSBZQPANMPN-WJOKGBTCSA-N 1 0 521.702 5.336 40 0 KKABRO CCc1nccn1CCOc1cc(C[N@@H+]2CCC[C@@](COc3ccccc3F)(OC)CC2)ccc1OC ZINC000585272839 1071027564 /nfs/dbraw/zinc/02/75/64/1071027564.db2.gz XOQWLQDYSGKMPI-GDLZYMKVSA-N 1 0 511.638 5.122 40 0 KKABRO Cc1ccc(Cl)c(OC[C@@]2(O)CCC[N@H+](Cc3cccc(OCCCN4CCCCCC4=O)c3)C2)c1 ZINC000585272637 1071027956 /nfs/dbraw/zinc/02/79/56/1071027956.db2.gz UYPJQISTRKJASP-GDLZYMKVSA-N 1 0 515.094 5.226 40 0 KKABRO O[C@]1(COc2ccc(Cl)c(Cl)c2)CCC[N@H+](Cc2cccc(OCCCn3cccn3)c2)CC1 ZINC000585272698 1071028534 /nfs/dbraw/zinc/02/85/34/1071028534.db2.gz VMSZOZBFZVTWOC-AREMUKBSSA-N 1 0 504.458 5.455 40 0 KKABRO CCc1nccn1CCOc1ccc(C[N@@H+]2CCC[C@](COc3ccc(C)cc3)(OC)CC2)cc1OC ZINC000585272701 1071028584 /nfs/dbraw/zinc/02/85/84/1071028584.db2.gz VNKITZAEEHGNSK-PMERELPUSA-N 1 0 507.675 5.292 40 0 KKABRO COc1cc(C[N@@H+]2CCC[C@@](COc3ccccc3F)(OC)CC2)ccc1OCCCn1cc(C)cn1 ZINC000585274922 1071031782 /nfs/dbraw/zinc/03/17/82/1071031782.db2.gz RRKUDSRQZGKVJJ-GDLZYMKVSA-N 1 0 511.638 5.258 40 0 KKABRO COc1cc(C[N@@H+]2CCC[C@](O)(COc3cc(C)c(Cl)c(C)c3)C2)ccc1OCCCN1CCCCCC1=O ZINC000585278816 1071034258 /nfs/dbraw/zinc/03/42/58/1071034258.db2.gz AFDVZMZKJLVYAL-WJOKGBTCSA-N 1 0 559.147 5.543 40 0 KKABRO COc1ccc(C[N@@H+]2CCC[C@](O)(COc3ccc(C)cc3C)CC2)cc1OCCCN1CCCCCC1=O ZINC000585280701 1071035169 /nfs/dbraw/zinc/03/51/69/1071035169.db2.gz RPDBDSVVSCCDCE-JGCGQSQUSA-N 1 0 538.729 5.280 40 0 KKABRO CC(C)c1nccn1CCOc1ccc(C[N@@H+]2CCC[C@@](O)(COc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000585280719 1071035814 /nfs/dbraw/zinc/03/58/14/1071035814.db2.gz RSTVQCSFJKMEJK-NDEPHWFRSA-N 1 0 532.512 6.188 40 0 KKABRO COc1ccc(C[NH+]2CCC(COc3ccc(Cl)c(Cl)c3)(OC)CC2)cc1OCCCN1CCCCCC1=O ZINC000585279918 1071037973 /nfs/dbraw/zinc/03/79/73/1071037973.db2.gz HMPBJGLULJTWAR-UHFFFAOYSA-N 1 0 579.565 6.234 40 0 KKABRO O[C@]1(COc2ccc(Cl)c(Cl)c2)CCC[N@H+](Cc2ccc(OCCn3cc(Cl)cn3)cc2)CC1 ZINC000585281294 1071039016 /nfs/dbraw/zinc/03/90/16/1071039016.db2.gz YOOJQZMGZHJZBX-RUZDIDTESA-N 1 0 524.876 5.718 40 0 KKABRO CCCc1nc2sc(C)c(C)c2c(NC2CC[NH+](Cc3ccc(OCC[NH+]4CCCCC4)cc3)CC2)n1 ZINC000585293995 1071043327 /nfs/dbraw/zinc/04/33/27/1071043327.db2.gz CNVXBTNZGTVQGM-UHFFFAOYSA-N 1 0 521.775 6.202 40 0 KKABRO CCCc1nc2sc(C)c(C)c2c(NC2CC[NH+](Cc3cccc(OCCCn4cc(C)cn4)c3)CC2)n1 ZINC000585295233 1071044600 /nfs/dbraw/zinc/04/46/00/1071044600.db2.gz QWDIEVRYMGSUFG-UHFFFAOYSA-N 1 0 532.758 6.311 40 0 KKABRO CC(C)[C@@H]1C[C@H](c2cccc(F)c2)CO[C@H]1c1cccc(OCC(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000585292666 1071045074 /nfs/dbraw/zinc/04/50/74/1071045074.db2.gz QFLIEJIWVJTIHT-URBDOXFBSA-N 1 0 544.711 7.347 40 0 KKABRO Cc1ccn(CCCOc2ccc(C[NH+]3CCC(Nc4ncnc5sc6c(c54)CC(C)(C)OC6)CC3)cc2)n1 ZINC000585292319 1071045899 /nfs/dbraw/zinc/04/58/99/1071045899.db2.gz HCMCVLLADRYEOA-UHFFFAOYSA-N 1 0 546.741 5.593 40 0 KKABRO Cc1nc(C(F)(F)F)ccc1C(=O)Nc1cc(C(=O)Nc2ccccc2OC[C@H]2CCCO2)ccc1N1CC[NH+](C)CC1 ZINC000585293810 1071046910 /nfs/dbraw/zinc/04/69/10/1071046910.db2.gz AOUALJJAYIMDCW-JOCHJYFZSA-N 1 0 597.638 5.223 40 0 KKABRO Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C[NH+]4CCN(c5ccccc5)CC4)cc3)cc2)cc1C ZINC000408926462 1071073840 /nfs/dbraw/zinc/07/38/40/1071073840.db2.gz YCEDSFGXQOSVHJ-UHFFFAOYSA-N 1 0 554.716 5.679 40 0 KKABRO COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(CN4CC[NH+](Cc5ccccc5)CC4)cc3)cc2)cc1 ZINC000408923144 1071088166 /nfs/dbraw/zinc/08/81/66/1071088166.db2.gz ADGYXUTXSBFLPB-UHFFFAOYSA-N 1 0 570.715 5.066 40 0 KKABRO C=C1[NH+]=C(SCC(=O)Nc2ccc(C)cc2C)N[C@@H](c2cccc(Br)c2)C1C(=O)OCC ZINC000408986444 1071490209 /nfs/dbraw/zinc/49/02/09/1071490209.db2.gz CITPZRQJYQKATD-QFIPXVFZSA-N 1 0 516.461 5.275 40 0 KKABRO CC1(C)COCCC[C@H]2C[N@H+](Cc3ccccc3C(F)(F)F)CC[C@H]2CC(=O)N(Cc2ccccc2)C[C@@H]1O ZINC001534613815 1073173132 /nfs/dbraw/zinc/17/31/32/1073173132.db2.gz YZKJDINLXQUVMS-VBOOUTDYSA-N 1 0 546.674 5.760 40 0 KKABRO Cc1nnc(C(C)C)n1[C@H]1C[C@@H]2CC[C@H]([C@H]1F)[N@@H+]2CC[C@@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 ZINC001542979606 1073173468 /nfs/dbraw/zinc/17/34/68/1073173468.db2.gz HMRMOIPZWJGLDG-FMTGGWRCSA-N 1 0 531.667 5.899 40 0 KKABRO COc1ccc([C@H](CNC(=O)C[C@@H](c2cc(OC)c(OC)c(OC)c2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)[NH+](C)C)cc1 ZINC001547139274 1073185524 /nfs/dbraw/zinc/18/55/24/1073185524.db2.gz UQDHAXVIYNZCGX-OATBXSGESA-N 1 0 732.871 6.555 40 0 KKABRO O=C(Nc1ncc(SCC[NH+]2CCCC2)s1)[C@]1(c2ccc(S(=O)(=O)C3CC3)cc2)CC1C1CCCCC1 ZINC001560410177 1073196190 /nfs/dbraw/zinc/19/61/90/1073196190.db2.gz CDGSKLAHKWLRDN-NDEPHWFRSA-N 1 0 558.815 5.702 40 0 KKABRO CC[C@@]1(O)CC2C[C@H](C1)C[C@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@@H]1[C@]34CC[N@@H+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)c1[nH]c3ccccc3c1CC2 ZINC001560411814 1073196614 /nfs/dbraw/zinc/19/66/14/1073196614.db2.gz DYYAXANKBYKRCC-HKLXXGKMSA-N 1 0 808.993 5.434 40 0 KKABRO COc1cc2c3c(c1O)-c1cc(OC)c(Oc4c(C[C@@H]5c6cc(OC)c(OC)cc6CC[N@H+]5C)ccc(OC)c4OC)cc1C[C@@H]3N(C)CC2 ZINC000008435199 1073202659 /nfs/dbraw/zinc/20/26/59/1073202659.db2.gz IBHSRCBKJMEBQB-WDYNHAJCSA-N 1 0 682.814 6.760 40 0 biogenic,in-vitro KKABRO COc1ccccc1N1CCN(C(=O)C[C@@H]2CC[NH2+]C[C@@H]2Cc2cc(-c3ccc(C(C)(C)C)cc3)on2)CC1 ZINC000067878758 291983058 /nfs/dbraw/zinc/98/30/58/291983058.db2.gz ZYABKNIUDDIRPO-DQEYMECFSA-N 1 0 530.713 5.155 40 0 biogenic,in-vitro KKABRO CC[C@@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C1CCCCC1 ZINC000001374602 551654447 /nfs/dbraw/zinc/65/44/47/551654447.db2.gz GKOQZPWRTDYLDZ-MHZLTWQESA-N 1 0 500.647 5.052 40 0 KKABRO CC[C@@H](c1nnnn1Cc1ccccc1)N(Cc1ccc(C)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374717 551654623 /nfs/dbraw/zinc/65/46/23/551654623.db2.gz MOSDFRANALWARR-NDEPHWFRSA-N 1 0 508.626 5.033 40 0 KKABRO CC[C@@H](c1nnnn1C(C)(C)CC)N(Cc1ccc(C)cc1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000001374939 551655638 /nfs/dbraw/zinc/65/56/38/551655638.db2.gz BDBXAWZBMURVED-DEOSSOPVSA-N 1 0 518.662 5.139 40 0 KKABRO CC[C@@H](c1nnnn1Cc1ccccc1)N(Cc1ccc2c(c1)OCO2)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000001375267 551656470 /nfs/dbraw/zinc/65/64/70/551656470.db2.gz ZKYZSGIULXREIQ-MHZLTWQESA-N 1 0 536.636 5.062 40 0 KKABRO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)N(Cc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000001375441 551656981 /nfs/dbraw/zinc/65/69/81/551656981.db2.gz RWLVVOXVIQFUFD-MUUNZHRXSA-N 1 0 522.653 5.342 40 0 KKABRO CC[C@H](c1nnnn1C(C)(C)CC)N(Cc1ccc2c(c1)OCO2)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000001375571 551657265 /nfs/dbraw/zinc/65/72/65/551657265.db2.gz UPCMFEMWWXZHFL-HSZRJFAPSA-N 1 0 516.646 5.159 40 0 KKABRO CC[C@@H](c1nnnn1Cc1ccccc1)N(Cc1ccc(OC)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000001375588 551657278 /nfs/dbraw/zinc/65/72/78/551657278.db2.gz KJQQBINXXZSGTB-NDEPHWFRSA-N 1 0 522.653 5.342 40 0 KKABRO CC[C@@H](c1nnnn1C(C)(C)CC)N(Cc1ccc2c(c1)OCO2)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000001375570 551657286 /nfs/dbraw/zinc/65/72/86/551657286.db2.gz UPCMFEMWWXZHFL-QHCPKHFHSA-N 1 0 516.646 5.159 40 0 KKABRO CC(=O)OC(Cc1ccccc1Cl)(Cc1ccccc1Cl)C(=O)OCC[NH+]1C(C)(C)CCCC1(C)C ZINC000004214387 552449726 /nfs/dbraw/zinc/44/97/26/552449726.db2.gz YDDUWJJLKQBFMH-UHFFFAOYSA-N 1 0 534.524 6.667 40 0 in-man KKABRO COc1nc2ccc(Br)cc2cc1[C@H](c1ccccc1)[C@@](O)(CC[NH+](C)C)c1cccc2ccccc21 ZINC000004655027 552471417 /nfs/dbraw/zinc/47/14/17/552471417.db2.gz QUIJNHUBAXPXFS-XDFJSJKPSA-N 1 0 555.516 7.131 40 0 KKABRO CC[NH+](CC)CCOC(=O)c1cc(OCc2ccccc2)c(OCc2ccccc2)c(OCc2ccccc2)c1 ZINC000004768974 552481157 /nfs/dbraw/zinc/48/11/57/552481157.db2.gz UYTRIPIBDRRJPG-UHFFFAOYSA-N 1 0 539.672 6.922 40 0 KKABRO CCOC(=O)Nc1cc(N[C@H](C)CCC[NH+](CC)CC)c2ncc(-c3ccc(Cl)c(Cl)c3)nc2n1 ZINC000005049591 552493070 /nfs/dbraw/zinc/49/30/70/552493070.db2.gz GGHRGENORAJQQA-MRXNPFEDSA-N 1 0 519.477 6.489 40 0 KKABRO CCCCCC[NH+](CCCCCC)C[C@H](O)c1cc(-c2ccc(Cl)cc2)nc2c(Cl)cccc12 ZINC000005488386 552503026 /nfs/dbraw/zinc/50/30/26/552503026.db2.gz KPMSVHWZSCECIR-NDEPHWFRSA-N 1 0 501.542 8.705 40 0 KKABRO CCC[NH+](CCC)Cc1c(OC(=O)c2ccc(Cl)cc2)ccc2c(=O)c(Oc3ccc(Cl)cc3)c(C(F)(F)F)oc21 ZINC000006166847 552557156 /nfs/dbraw/zinc/55/71/56/552557156.db2.gz FCFJNLPQIDZFCU-UHFFFAOYSA-N 1 0 608.440 8.752 40 0 KKABRO CC[NH+](CC)CCCN(C(=O)c1cc2c(C)nn(-c3ccccc3)c2s1)c1nc(-c2ccc(F)cc2)cs1 ZINC000006511287 552597256 /nfs/dbraw/zinc/59/72/56/552597256.db2.gz MRTORWBXYNWJDA-UHFFFAOYSA-N 1 0 547.725 7.037 40 0 KKABRO CCCC[NH+](CCCC)CC[C@@H](O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2c(Cl)cc(Cl)cc12 ZINC000008649017 553107282 /nfs/dbraw/zinc/10/72/82/553107282.db2.gz XJOZAGPCPQXRPR-RUZDIDTESA-N 1 0 528.351 8.841 40 0 KKABRO CCCCCC[NH+](CCCCCC)C[C@@H](O)c1cc(-c2ccc(Cl)cc2)nc2c(Cl)cccc12 ZINC000008667850 553109925 /nfs/dbraw/zinc/10/99/25/553109925.db2.gz KPMSVHWZSCECIR-MUUNZHRXSA-N 1 0 501.542 8.705 40 0 KKABRO Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000009063237 553205279 /nfs/dbraw/zinc/20/52/79/553205279.db2.gz FXFMTUCFDGRLBT-UHFFFAOYSA-N 1 0 512.075 5.608 40 0 KKABRO CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)C3CC[NH+](Cc4ccc(Cl)cc4)CC3)cc2)cc1 ZINC000009063424 553205530 /nfs/dbraw/zinc/20/55/30/553205530.db2.gz FRZJOCSPHWGERY-UHFFFAOYSA-N 1 0 528.074 5.390 40 0 KKABRO Clc1ccc(CO[C@H](C[n+]2ccn(CCc3ccccc3)c2)c2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000011726780 553340959 /nfs/dbraw/zinc/34/09/59/553340959.db2.gz SOHMGPGPUDLRGF-AREMUKBSSA-N 1 0 521.295 7.590 40 0 in-man KKABRO CCOC(=O)c1c2cc(OCc3c(F)c(F)c(N4CC[NH2+]CC4)c(F)c3F)ccc2oc1-c1ccccc1 ZINC000011867629 553348003 /nfs/dbraw/zinc/34/80/03/553348003.db2.gz YJDSSVRRJWSLEA-UHFFFAOYSA-N 1 0 528.502 5.822 40 0 KKABRO Cc1nn(-c2ccccc2)c2sc(C(=O)N(CCC[NH+](C)C)c3nc(-c4ccc(F)cc4)cs3)cc12 ZINC000012469300 553367968 /nfs/dbraw/zinc/36/79/68/553367968.db2.gz ANQUJENUVRLYGH-UHFFFAOYSA-N 1 0 519.671 6.257 40 0 KKABRO CCc1ccc2[nH]c(=O)c(C[N@@H+]([C@@H](CC)c3nnnn3Cc3ccc(F)cc3)C3CCCCC3)cc2c1 ZINC000013063742 553443700 /nfs/dbraw/zinc/44/37/00/553443700.db2.gz BEOHCXDVFKYVLE-MHZLTWQESA-N 1 0 502.638 5.550 40 0 KKABRO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013063886 553443768 /nfs/dbraw/zinc/44/37/68/553443768.db2.gz NBLRDPHOEDEEAA-HHHXNRCGSA-N 1 0 500.647 5.166 40 0 KKABRO CCOc1ccc2[nH]c(=O)c(CN(Cc3ccc(C)cc3)[C@@H](CC)c3nnnn3C3CCCC3)cc2c1 ZINC000013494847 553460629 /nfs/dbraw/zinc/46/06/29/553460629.db2.gz AOOYNZAEIWMBIH-MHZLTWQESA-N 1 0 500.647 5.490 40 0 KKABRO CCOc1ccc2[nH]c(=O)c(CN(Cc3ccc(C)cc3)[C@@H](CC)c3nnnn3C(C)(C)CC)cc2c1 ZINC000013494843 553460678 /nfs/dbraw/zinc/46/06/78/553460678.db2.gz BLLYJLPRLBGNJE-SANMLTNESA-N 1 0 502.663 5.520 40 0 KKABRO CCOc1ccc2[nH]c(=O)c(CN(Cc3ccc(OC)cc3)[C@@H](CC)c3nnnn3C3CCCCC3)cc2c1 ZINC000013495195 553461659 /nfs/dbraw/zinc/46/16/59/553461659.db2.gz FIVRAIDOSANTRC-NDEPHWFRSA-N 1 0 530.673 5.581 40 0 KKABRO CCOc1ccc2[nH]c(=O)c(CN(Cc3ccc(OC)cc3)[C@@H](CC)c3nnnn3C(C)(C)CC)cc2c1 ZINC000013495187 553461667 /nfs/dbraw/zinc/46/16/67/553461667.db2.gz SSLRNGZZTIOITD-SANMLTNESA-N 1 0 518.662 5.221 40 0 KKABRO Cc1cc2cc(CN(Cc3cccs3)[C@H](c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c2cc1C ZINC000013498965 553464979 /nfs/dbraw/zinc/46/49/79/553464979.db2.gz CVLFMLFTZHNTRU-VWLOTQADSA-N 1 0 502.644 5.234 40 0 KKABRO CCC[C@@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)C1CCCC1 ZINC000013499426 553465731 /nfs/dbraw/zinc/46/57/31/553465731.db2.gz YAZVBPWLNYFACA-SANMLTNESA-N 1 0 530.673 5.061 40 0 KKABRO C[NH+]1CCN(c2ccc(NC(=S)NC(=O)C=Cc3ccc(-c4cc(Cl)cc(Cl)c4)o3)cc2)CC1 ZINC000014277247 553510136 /nfs/dbraw/zinc/51/01/36/553510136.db2.gz UHZKWJORKNUOQP-VQHVLOKHSA-N 1 0 515.466 5.532 40 0 KKABRO C[C@H]1CC[C@@H]2[N@H+](C1)C[C@H]1[C@@H]3C[C@H]4[C@H](CC(=O)[C@H]5C[C@@H](OC(=O)c6ccco6)CC[C@]45C)[C@@H]3CC[C@H]1[C@]2(C)O ZINC000070664525 553594396 /nfs/dbraw/zinc/59/43/96/553594396.db2.gz QDRWJGGEHHAYQU-NAPHIXFUSA-N 1 0 523.714 5.344 40 0 KKABRO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[N@@H+]4CC[C@H](c5ccc(F)cc5)[C@H](COc5ccc6c(c5)OCO6)C4)[C@H]3C=C12 ZINC000070687010 553605850 /nfs/dbraw/zinc/60/58/50/553605850.db2.gz JIVVYSVNBXXPDE-JDHQFLPFSA-N 1 0 561.694 6.353 40 0 KKABRO CC[NH+](CC)C[C@@]1(Cc2ccc(C)cc2)COc2c(Br)c(C)c(Br)cc2C1=O ZINC000019596865 553614943 /nfs/dbraw/zinc/61/49/43/553614943.db2.gz PJUFHSYSRXTQSK-QHCPKHFHSA-N 1 0 509.282 5.974 40 0 KKABRO CCC[NH+](C[C@H](O)COc1ccccc1C(=O)CCc1ccccc1)C[C@H](O)COc1ccccc1C(=O)CCc1ccccc1 ZINC000077312630 553663921 /nfs/dbraw/zinc/66/39/21/553663921.db2.gz LSQHIGTXXXXQHQ-LQJZCPKCSA-N 1 0 623.790 6.209 40 0 in-vitro KKABRO Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)cc1 ZINC000020061202 553674432 /nfs/dbraw/zinc/67/44/32/553674432.db2.gz JVRBOGLXYHTLOV-UHFFFAOYSA-N 1 0 525.674 5.915 40 0 KKABRO CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)c3ccc(C[N@@H+]4CCc5ccccc5C4)cc3)c2)cc1 ZINC000020105520 553689648 /nfs/dbraw/zinc/68/96/48/553689648.db2.gz LSQYLPSMWDVNHZ-UHFFFAOYSA-N 1 0 502.658 7.026 40 0 KKABRO O[C@H](Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21)C[NH+]1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000022036213 553723294 /nfs/dbraw/zinc/72/32/94/553723294.db2.gz BICXAQOJMBZLJO-QHCPKHFHSA-N 1 0 542.510 6.850 40 0 KKABRO COc1cc(C[NH2+]CCSc2nnnn2-c2ccccc2)cc(Cl)c1OCc1ccccc1Cl ZINC000022107945 553726146 /nfs/dbraw/zinc/72/61/46/553726146.db2.gz QGGZYIUCNDIFIF-UHFFFAOYSA-N 1 0 516.454 5.439 40 0 KKABRO CCOc1cc(C[NH2+]CCCSc2nnnn2-c2ccccc2)cc(Cl)c1OCc1ccccc1 ZINC000022108943 553726437 /nfs/dbraw/zinc/72/64/37/553726437.db2.gz DOKZSNHUVOBTQM-UHFFFAOYSA-N 1 0 510.063 5.565 40 0 KKABRO O=C(NCCCN1CC[NH+](CCCNC(=O)Nc2cc(Cl)ccc2Cl)CC1)Nc1cc(Cl)ccc1Cl ZINC000022584812 553747551 /nfs/dbraw/zinc/74/75/51/553747551.db2.gz FVAVFZKHLXCGKM-UHFFFAOYSA-N 1 0 576.356 5.641 40 0 KKABRO CCCCCCOCC[NH+]1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1 ZINC000022587301 553747898 /nfs/dbraw/zinc/74/78/98/553747898.db2.gz NKHHCAZKDSNWSB-UHFFFAOYSA-N 1 0 521.693 6.913 40 0 KKABRO Cc1ccc2c(c1)[C@@]1(C(=O)N2)[N@@H+]2CCC[C@@H]2[C@@H](C(=O)c2ccc3ccccc3c2)[C@]12c1ccccc1NC2=O ZINC000096298528 553748445 /nfs/dbraw/zinc/74/84/45/553748445.db2.gz LMNHSJQJTVBJIC-MKKAROFMSA-N 1 0 513.597 5.163 40 0 KKABRO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)cc2c1 ZINC000022866508 553763809 /nfs/dbraw/zinc/76/38/09/553763809.db2.gz BKYCKZIKDZGWLE-MGBGTMOVSA-N 1 0 573.745 5.689 40 0 KKABRO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)cc2c1 ZINC000022866598 553764170 /nfs/dbraw/zinc/76/41/70/553764170.db2.gz UWOFYLZERAXXQQ-PGUFJCEWSA-N 1 0 595.751 5.622 40 0 KKABRO Cc1ccc2cc([C@H](c3nnnn3C3CCCC3)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c(=O)[nH]c2c1 ZINC000022871841 553765858 /nfs/dbraw/zinc/76/58/58/553765858.db2.gz AKKYQLPUOITYDP-JGCGQSQUSA-N 1 0 559.718 5.435 40 0 KKABRO Cc1cccc2cc([C@H](c3nnnn3C(C)(C)C)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c(=O)[nH]c12 ZINC000022872870 553766121 /nfs/dbraw/zinc/76/61/21/553766121.db2.gz SZQGHMVFCBBDDF-SSEXGKCCSA-N 1 0 547.707 5.075 40 0 KKABRO CCn1c(=O)/c(=C\C=C2/C=CN(CC)c3ccccc32)s/c1=C\c1sc(-c2ccccc2)c(-c2ccccc2)[n+]1CC ZINC000100073672 554203105 /nfs/dbraw/zinc/20/31/05/554203105.db2.gz NIBDUJOINXBUGE-AOHCEHPPSA-N 1 0 588.822 6.679 40 0 KKABRO O=C(c1cccc(N2Cc3cccc(Cl)c3C2=O)c1)N1CCC2(CC1)CCN(c1cc[nH+]cc1)CC2 ZINC000036475212 554224863 /nfs/dbraw/zinc/22/48/63/554224863.db2.gz ARYQHSWJGHCGJS-UHFFFAOYSA-N 1 0 501.030 5.418 40 0 KKABRO Cc1c2cc3c(cc2oc(=O)c1CC(=O)N1CCCC2=C[C@@H]4C[C@@H](C[N@@H+]5CCCC[C@H]45)[C@@H]21)OC(C)(C)CC3 ZINC000036558941 554225472 /nfs/dbraw/zinc/22/54/72/554225472.db2.gz NFHDIZRXBNYWEX-KKHBRMCTSA-N 1 0 516.682 5.169 40 0 KKABRO Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1 ZINC000039744138 554279948 /nfs/dbraw/zinc/27/99/48/554279948.db2.gz AXKONACGKGYVIB-UHFFFAOYSA-N 1 0 512.075 5.608 40 0 KKABRO Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(S(=O)(=O)Nc4cccc(Cl)c4C)cc3)CC2)cc1 ZINC000039758423 554280281 /nfs/dbraw/zinc/28/02/81/554280281.db2.gz IJUUYKMEFITEAJ-UHFFFAOYSA-N 1 0 512.075 5.608 40 0 KKABRO CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)C3CC[NH+](Cc4ccccc4C)CC3)cc2)cc1 ZINC000039763020 554280528 /nfs/dbraw/zinc/28/05/28/554280528.db2.gz NDDSZTXBKIBWQA-UHFFFAOYSA-N 1 0 507.656 5.045 40 0 KKABRO O=C(Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000039767116 554280686 /nfs/dbraw/zinc/28/06/86/554280686.db2.gz RXLXYCNPMGDEAT-UHFFFAOYSA-N 1 0 502.011 5.131 40 0 KKABRO O[C@@H](COCC(c1ccccc1)c1ccccc1)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000040373208 554283534 /nfs/dbraw/zinc/28/35/34/554283534.db2.gz SVYCRMGBUOYBJO-JGCGQSQUSA-N 1 0 506.690 5.603 40 0 KKABRO COc1cc2c3c(c1O)Oc1cc4c(cc1OC)CC[N@@H+](C)[C@@H]4Cc1ccc(cc1)Oc1cc(ccc1O)C[C@@H]3N(C)CC2 ZINC000049881656 554326700 /nfs/dbraw/zinc/32/67/00/554326700.db2.gz XGEAUXVPBXUBKN-IZLXSDGUSA-N 1 0 594.708 6.556 40 0 biogenic,in-vitro KKABRO COc1ccc(-c2csc(N(CCC[NH+](C)C)C(=O)c3cc4c(C)nn(-c5ccccc5)c4s3)n2)cc1 ZINC000049918148 554327309 /nfs/dbraw/zinc/32/73/09/554327309.db2.gz QPVXWWXMFVAZKP-UHFFFAOYSA-N 1 0 531.707 6.126 40 0 KKABRO CCOc1ccc2[nH]c(=O)c(CN(Cc3ccc4c(c3)OCO4)[C@@H](CC)c3nnnn3C3CCCCC3)cc2c1 ZINC000100375307 554359557 /nfs/dbraw/zinc/35/95/57/554359557.db2.gz XCZZQQMWUQCQBK-SANMLTNESA-N 1 0 544.656 5.301 40 0 KKABRO Cc1ccc(C(=O)N/C(=C/c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)C(=O)NCCCN2CC[NH+](C)CC2)cc1 ZINC000100455084 554396008 /nfs/dbraw/zinc/39/60/08/554396008.db2.gz DVEHFYSMXRBKMZ-LGUFXXKBSA-N 1 0 589.058 5.452 40 0 KKABRO CC(C)COc1cccc(C(=O)NC(=S)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)c1 ZINC000059559137 554407096 /nfs/dbraw/zinc/40/70/96/554407096.db2.gz ZIBDTLMLZAUQJY-UHFFFAOYSA-N 1 0 502.684 5.170 40 0 KKABRO CC1CC[NH+](Cc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4Cl)cc3)cc2)CC1 ZINC000060028754 554495265 /nfs/dbraw/zinc/49/52/65/554495265.db2.gz IKHRBQFURFWQLT-UHFFFAOYSA-N 1 0 532.493 6.278 40 0 KKABRO O=C1CS[C@]2(c3ccccc3N(CN3CC[C@H](c4ccccc4)C3)C2=O)N1c1ccc(OCc2ccccc2)cc1 ZINC000101645402 554815428 /nfs/dbraw/zinc/81/54/28/554815428.db2.gz SVESZRXDIDHUEH-FOPBOCKXSA-N 1 0 561.707 5.992 40 0 KKABRO COc1cc(C[NH2+]CCCSc2nnnn2-c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000102558641 554965782 /nfs/dbraw/zinc/96/57/82/554965782.db2.gz LXKHVAPUVQUAGA-UHFFFAOYSA-N 1 0 530.481 5.829 40 0 KKABRO CCOc1cc(C[NH2+]CCCSc2nnnn2-c2ccccc2)cc(Cl)c1OCc1ccccc1Cl ZINC000102558663 554965896 /nfs/dbraw/zinc/96/58/96/554965896.db2.gz YZIVKIBPRSRESG-UHFFFAOYSA-N 1 0 544.508 6.219 40 0 KKABRO CCOc1cc(C[NH2+]CCc2ccc(OC)c(OC)c2)cc(Br)c1OCc1ccccc1Cl ZINC000102569663 554970263 /nfs/dbraw/zinc/97/02/63/554970263.db2.gz BBLNVMFDUQPHNX-UHFFFAOYSA-N 1 0 534.878 6.430 40 0 KKABRO Cc1cccc2c1NC(=O)[C@]21[N@@H+]2CCC[C@H]2[C@H](C(=O)c2ccc3ccccc3c2)[C@]12c1ccccc1NC2=O ZINC000102769076 555056731 /nfs/dbraw/zinc/05/67/31/555056731.db2.gz HTVNOZMEKLYJJG-UAEGVTNASA-N 1 0 513.597 5.163 40 0 KKABRO COc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccccc3OC)[C@@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN23)cc1OC ZINC000103532632 555432899 /nfs/dbraw/zinc/43/28/99/555432899.db2.gz OREUHWJXLLJEAM-HATVSKDLSA-N 1 0 586.644 5.694 40 0 KKABRO CC(C)(C)C[C@@H]1[NH2+][C@@H](C(=O)N[C@H]2CC[C@@H](O)CC2)[C@H](c2cccc(Cl)c2F)[C@]12C(=O)Nc1cc(Cl)ccc12 ZINC000145424989 562837038 /nfs/dbraw/zinc/83/70/38/562837038.db2.gz IDKAKZRYYDCJDU-HBMMIIHUSA-N 1 0 562.513 5.303 40 0 investigational KKABRO COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1)N(c1ccc(N(C)C[C@H]3CC[C@H]([N@@H+]4CCN(C)C(=O)C4)CC3)cc1)C(=O)C2 ZINC000253387855 562881804 /nfs/dbraw/zinc/88/18/04/562881804.db2.gz CLRSLRWKONPSRQ-IIPSPAQQSA-N 1 0 659.271 6.584 40 0 KKABRO CCCOc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc(Cl)cc3)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000103288005 571361441 /nfs/dbraw/zinc/36/14/41/571361441.db2.gz XOKGYGURRAUQBS-XKEBTDTJSA-N 1 0 589.091 7.111 40 0 KKABRO CCCOc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccc(F)cc3)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000103288012 571361462 /nfs/dbraw/zinc/36/14/62/571361462.db2.gz INUYKDTWZDTVGN-LRXFEKEMSA-N 1 0 572.636 6.596 40 0 KKABRO CCCOc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3cccc(OC)c3)N3C=Cc4ccccc4[C@@H]3[C@@]23c2ccccc2NC3=O)cc1 ZINC000103288102 571361582 /nfs/dbraw/zinc/36/15/82/571361582.db2.gz HEZOLSWARVYMRV-CYPQMOBWSA-N 1 0 584.672 6.466 40 0 KKABRO CCCOc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccc(Cl)cc3)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000103288000 571361594 /nfs/dbraw/zinc/36/15/94/571361594.db2.gz XOKGYGURRAUQBS-LRXFEKEMSA-N 1 0 589.091 7.111 40 0 KKABRO CC(=O)O[C@H]1CC[C@@]2(C)[C@H]3CC=C4[C@H]5CC(C)(C)CC[C@]5(C(=O)NCC[NH+](C)C)CC[C@]4(C)[C@]3(C)CC[C@@H]2C1(C)C ZINC000104269971 571378243 /nfs/dbraw/zinc/37/82/43/571378243.db2.gz XMEBYGAEVAMHEQ-BLUCOBHUSA-N 1 0 568.887 7.398 40 0 KKABRO CC[NH+](CC)Cc1ccc(NC(=S)NC(=O)c2cc(Br)cc(Br)c2OC)cc1 ZINC000105039721 571390073 /nfs/dbraw/zinc/39/00/73/571390073.db2.gz SUFFJQOJFPYYMM-UHFFFAOYSA-N 1 0 529.298 5.189 40 0 KKABRO COc1c(Br)cc(Br)cc1C(=O)NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000105318448 571400894 /nfs/dbraw/zinc/40/08/94/571400894.db2.gz CHEZWCBPSBKJJW-UHFFFAOYSA-N 1 0 618.395 5.669 40 0 KKABRO COc1c(Br)c2ccccc2cc1C(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000105322718 571403221 /nfs/dbraw/zinc/40/32/21/571403221.db2.gz JHRUEUVKDYDRCQ-UHFFFAOYSA-N 1 0 530.466 6.185 40 0 KKABRO O=C(Nc1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000108580226 571426402 /nfs/dbraw/zinc/42/64/02/571426402.db2.gz BCBOVEUXNJAXMU-UHFFFAOYSA-N 1 0 534.081 6.145 40 0 KKABRO CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(C)C4=C[C@@H](OC(=O)CC[NH+]5C[C@H](C)C[C@@H](C)C5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000118931078 571447497 /nfs/dbraw/zinc/44/74/97/571447497.db2.gz CPJHDWYZEVQMHG-ZLDWHJCISA-N 1 0 553.784 6.286 40 0 KKABRO CC(=O)O[C@H]1CC[C@@]2(C)C(=C[C@H]([NH2+]C3CCCCC3)[C@H]3[C@@H]4CC[C@H]([C@@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1 ZINC000118933527 571447699 /nfs/dbraw/zinc/44/76/99/571447699.db2.gz FTLRMZFOMOKYGR-LNAMSHPXSA-N 1 0 525.862 8.860 40 0 KKABRO C[C@@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](OC(=O)c6ccccc6)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@]12CC[C@H](C)C[NH2+]2 ZINC000118936413 571448026 /nfs/dbraw/zinc/44/80/26/571448026.db2.gz KVEGADOINRXKBW-KANAYUSESA-N 1 0 517.754 7.152 40 0 KKABRO C[NH+](C)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Br)cc2F)o1 ZINC000223245039 571449828 /nfs/dbraw/zinc/44/98/28/571449828.db2.gz HNPASMDGVZQZLI-FGZHOGPDSA-N 1 0 503.441 5.167 40 0 KKABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000139851993 571453968 /nfs/dbraw/zinc/45/39/68/571453968.db2.gz SQKRJBRAFGZTCM-UHFFFAOYSA-N 1 0 580.072 5.775 40 0 KKABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c2ccc(Br)cc2)cc1 ZINC000139871477 571454054 /nfs/dbraw/zinc/45/40/54/571454054.db2.gz UXKNIPIBCPVXQS-UHFFFAOYSA-N 1 0 570.553 5.255 40 0 KKABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c2cc(Cl)cc(Cl)c2)cc1 ZINC000139872164 571454094 /nfs/dbraw/zinc/45/40/94/571454094.db2.gz LYTGYFIUMRKMSC-UHFFFAOYSA-N 1 0 560.547 5.799 40 0 KKABRO O=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000139869605 571454128 /nfs/dbraw/zinc/45/41/28/571454128.db2.gz HFBZWKWKOJLNJR-UHFFFAOYSA-N 1 0 546.520 5.491 40 0 KKABRO COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000139876273 571454149 /nfs/dbraw/zinc/45/41/49/571454149.db2.gz FOUKIIJRNFSAOY-UHFFFAOYSA-N 1 0 583.754 6.007 40 0 KKABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c2cccc(Cl)c2C)cc1 ZINC000139872848 571454244 /nfs/dbraw/zinc/45/42/44/571454244.db2.gz NPLLRGOBMUJYGE-UHFFFAOYSA-N 1 0 540.129 5.454 40 0 KKABRO CCOC(=O)[C@H](C)NC(=O)[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000150382638 571467325 /nfs/dbraw/zinc/46/73/25/571467325.db2.gz QMRLLTMNQJHCEC-ZMEFLVBSSA-N 1 0 704.936 8.730 40 0 KKABRO O=P(Oc1ccccc1)(Oc1ccccc1)O[C@H]1C[NH+](Cc2ccccc2)C[C@@H]1OP(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000150392341 571474594 /nfs/dbraw/zinc/47/45/94/571474594.db2.gz 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CCCn1cc(C[N@@H+]2CCC[C@@](COc3ccc(Cl)c(C)c3)(CC(=O)N3CCN(C)CC3)C2)c2ccccc21 ZINC000257254608 572311430 /nfs/dbraw/zinc/31/14/30/572311430.db2.gz KDWKSVNQDDOLDM-JGCGQSQUSA-N 1 0 551.175 5.838 40 0 KKABRO CC(C)(C)n1ccc([C@@H]2C[C@@H](C(=O)Nc3cccc(C(F)(F)F)c3)[NH2+][C@H]2c2ccc(Cl)c(F)c2)n1 ZINC000257255745 572311582 /nfs/dbraw/zinc/31/15/82/572311582.db2.gz KIRQWRITHUUWPQ-HSQYWUDLSA-N 1 0 508.947 6.275 40 0 KKABRO COCCn1c(C)cc(C[N@@H+]2CCC[C@@](COc3ccc(Cl)c(C)c3)(CC(=O)N(C)Cc3ccccc3)C2)c1C ZINC000257274102 572313178 /nfs/dbraw/zinc/31/31/78/572313178.db2.gz NJOTXHHEFBIKGW-MGBGTMOVSA-N 1 0 566.186 6.423 40 0 KKABRO CC(C)(C)n1ccc([C@@H]2C[C@@H](C(=O)Nc3ccc(OC(F)F)cc3)[NH2+][C@H]2c2ccc(C(F)(F)F)cc2)n1 ZINC000257277869 572313684 /nfs/dbraw/zinc/31/36/84/572313684.db2.gz NZVUIGUFPNYMHO-BVSLBCMMSA-N 1 0 522.518 6.084 40 0 KKABRO Cc1cc(OC[C@@]2(CC(=O)N(C)Cc3ccccc3)CCC[N@H+](Cc3cccc(Cl)c3)C2)ccc1Cl ZINC000257285533 572314504 /nfs/dbraw/zinc/31/45/04/572314504.db2.gz PHQAPZSQTYZCKR-SSEXGKCCSA-N 1 0 525.520 7.012 40 0 KKABRO Cc1cc(OC[C@@]2(CC(=O)N3CCOCC3)CCC[N@H+](Cc3cnn(C4CCCCC4)c3)C2)ccc1Cl ZINC000257287730 572314644 /nfs/dbraw/zinc/31/46/44/572314644.db2.gz PRGQSTHMLQXKMQ-GDLZYMKVSA-N 1 0 529.125 5.260 40 0 KKABRO Cc1cc(OC[C@]2(CC(=O)N(C)Cc3ccccc3)CCC[N@@H+](Cc3ccnn3C(C)C)C2)ccc1Cl ZINC000257291436 572315080 /nfs/dbraw/zinc/31/50/80/572315080.db2.gz QGYYATSPYMZMRA-PMERELPUSA-N 1 0 523.121 6.136 40 0 KKABRO CC(C)(C)n1ccc([C@@H]2C[C@@H](C(=O)Nc3ccc(C(F)(F)F)cc3)[NH2+][C@H]2c2cccc(C(F)(F)F)c2)n1 ZINC000257299673 572315728 /nfs/dbraw/zinc/31/57/28/572315728.db2.gz RRAUVZLPKSUXHX-BVSLBCMMSA-N 1 0 524.509 6.501 40 0 KKABRO CC(C)(C)n1ccc([C@H]2C[C@@H](C(=O)Nc3ccc(OC(F)(F)F)cc3)[NH2+][C@H]2c2ccc(Cl)cc2)n1 ZINC000257300061 572315884 /nfs/dbraw/zinc/31/58/84/572315884.db2.gz RSSPLUKFJZSIDE-HJNYFJLDSA-N 1 0 506.956 6.016 40 0 KKABRO C[C@H]1CC[C@H]2[C@H](O1)c1cc(OCc3ccccc3)c(CN(CCC[NH+](C)C)Cc3ccc(F)cc3)cc1OC2(C)C ZINC000257300223 572315922 /nfs/dbraw/zinc/31/59/22/572315922.db2.gz RTNWJOQSRPFFCS-ZUBRQOJCSA-N 1 0 560.754 7.386 40 0 KKABRO C[NH2+]CC(=O)N1[C@@H](c2cccc(Cl)c2)[C@H](c2ccn(C(C)(C)C)n2)C[C@H]1C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000257300302 572315937 /nfs/dbraw/zinc/31/59/37/572315937.db2.gz RTUBSOKYBBVCRI-OGQYXZLHSA-N 1 0 552.163 5.022 40 0 KKABRO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@H+](Cc2ccc(Cl)cc2)Cc2cccc(Br)c2)C1 ZINC000257300539 572315950 /nfs/dbraw/zinc/31/59/50/572315950.db2.gz RUQWZUPKUNOZBY-JWQCQUIFSA-N 1 0 529.862 5.487 40 0 KKABRO CC(C)(C)c1csc(NC(=O)[C@@H]2C[C@@H](c3ccn(C(C)(C)C)n3)[C@H](c3ccc(C(F)(F)F)cc3)[NH2+]2)n1 ZINC000257305382 572316294 /nfs/dbraw/zinc/31/62/94/572316294.db2.gz SPTJSKPSNMQRAH-CUWPLCDZSA-N 1 0 519.637 6.236 40 0 KKABRO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@H+](Cc2ccc(Cl)cc2)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000257306125 572316444 /nfs/dbraw/zinc/31/64/44/572316444.db2.gz SSZZWMOGWBIVBZ-JWQCQUIFSA-N 1 0 518.963 5.743 40 0 KKABRO CCCn1ncc(C[N@@H+]2CCC[C@@](COc3ccc(Cl)c(C)c3)(CC(=O)N(C)Cc3ccccc3)C2)c1C ZINC000257306159 572316453 /nfs/dbraw/zinc/31/64/53/572316453.db2.gz STDYGEOOIINZKK-WJOKGBTCSA-N 1 0 537.148 6.273 40 0 KKABRO CC(C)(C)OC(=O)N1CCC[C@H](c2nn(S(=O)(=O)c3ccccc3)cc2-c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000257328905 572318754 /nfs/dbraw/zinc/31/87/54/572318754.db2.gz XHNQKZPQXVKQNX-SANMLTNESA-N 1 0 564.752 5.888 40 0 KKABRO CN(CC12CC3CC(CC(C3)C1)C2)C(=O)[C@@H]1C[C@@H](c2ccn(C(C)(C)C)n2)[C@H](c2ccc(Cl)c(F)c2)[NH2+]1 ZINC000257334321 572319217 /nfs/dbraw/zinc/31/92/17/572319217.db2.gz YFKIXXCDIYQTRX-PAQIBOQPSA-N 1 0 527.128 6.292 40 0 KKABRO CC(C)(C)OC(=O)n1cc(-c2cccc(C[NH+]3CCCCC3)c2)c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 ZINC000257343588 572320132 /nfs/dbraw/zinc/32/01/32/572320132.db2.gz ZTOZPRWESVMTIB-XMMPIXPASA-N 1 0 524.706 6.434 40 0 KKABRO CC(=O)O[C@H]1CC[C@@]2(C)C(=C[C@@H]([NH2+]C3CCCCC3)[C@@H]3[C@H]4CC[C@@H]([C@H](C)CCCC(C)C)[C@]4(C)CC[C@H]32)C1 ZINC000257348459 572321269 /nfs/dbraw/zinc/32/12/69/572321269.db2.gz FTLRMZFOMOKYGR-KXIGSPFKSA-N 1 0 525.862 8.860 40 0 KKABRO Cc1cccc(C)c1C(OC[C@@H](O)CNCC[NH2+]C[C@H](O)COC(c1c(C)cccc1C)c1c(C)cccc1C)c1c(C)cccc1C ZINC000100455353 1069697465 /nfs/dbraw/zinc/69/74/65/1069697465.db2.gz WBLGWFJIQSAYKO-ZPGRZCPFSA-N 1 0 652.920 6.967 40 0 KKABRO OC1(COc2ccc(C[N@@H+]3CCC[C@@](O)(COc4ccc(Cl)c(Cl)c4)CC3)cc2)CCCCC1 ZINC000585270886 1071017834 /nfs/dbraw/zinc/01/78/34/1071017834.db2.gz CDBVDPFNGCTRIL-MHZLTWQESA-N 1 0 508.486 5.863 40 0 KKABRO CCc1nccn1CCOc1cc(C[NH+]2CCC(COc3ccc(C)cc3C)(OC)CC2)ccc1OC ZINC000585270604 1071018605 /nfs/dbraw/zinc/01/86/05/1071018605.db2.gz GNCAFVUCXOUYSY-UHFFFAOYSA-N 1 0 507.675 5.210 40 0 KKABRO COc1cc(C[NH+]2CCC(COc3cccc(Cl)c3)(OC)CC2)ccc1OCCCn1ccnc1C ZINC000585270621 1071019141 /nfs/dbraw/zinc/01/91/41/1071019141.db2.gz GWRSBLYDMFSMJQ-UHFFFAOYSA-N 1 0 514.066 5.383 40 0 KKABRO COc1cc(C[N@@H+]2CCC[C@@](O)(COc3ccc(Cl)c(Cl)c3)CC2)ccc1OCCCn1ccnc1C ZINC000585270664 1071019197 /nfs/dbraw/zinc/01/91/97/1071019197.db2.gz HWRZARWWIUHQDA-NDEPHWFRSA-N 1 0 548.511 5.772 40 0 KKABRO Cc1ccc(OC[C@]2(O)CCC[N@H+](Cc3cccc(OCCCN4CCCCCC4=O)c3)CC2)c(C)c1 ZINC000585270248 1071019431 /nfs/dbraw/zinc/01/94/31/1071019431.db2.gz ATMVXVSHBKGOOI-HKBQPEDESA-N 1 0 508.703 5.271 40 0 KKABRO COc1ccc(C[N@@H+]2CCC[C@](COc3ccc(C)cc3)(OC)CC2)cc1OCCCn1ccnc1C ZINC000585270159 1071021182 /nfs/dbraw/zinc/02/11/82/1071021182.db2.gz CNMVJZXOXWVKIK-PMERELPUSA-N 1 0 507.675 5.428 40 0 KKABRO CCc1nccn1CCCOc1cccc(C[N@@H+]2CCC[C@](O)(COc3cc(C)ccc3Cl)CC2)c1 ZINC000585271636 1071023250 /nfs/dbraw/zinc/02/32/50/1071023250.db2.gz BEBCMAKHUHFERA-GDLZYMKVSA-N 1 0 512.094 5.672 40 0 KKABRO COC1(COc2ccc(Cl)c(Cl)c2)CC[NH+](Cc2ccc(OCCCN3CCCC3=O)cc2)CC1 ZINC000585271241 1071026008 /nfs/dbraw/zinc/02/60/08/1071026008.db2.gz VECRTEONMZWFTK-UHFFFAOYSA-N 1 0 521.485 5.445 40 0 KKABRO CCc1nccn1CCOc1ccc(C[N@@H+]2CCC[C@@](O)(COc3ccc(Cl)c(Cl)c3)CC2)cc1OC ZINC000585271160 1071025182 /nfs/dbraw/zinc/02/51/82/1071025182.db2.gz KNHYDTPRJAPRCT-NDEPHWFRSA-N 1 0 548.511 5.636 40 0 KKABRO Cc1cc(C)n(CCCOc2cccc(C[NH+]3CCC(O)(COc4cc(C)c(Cl)c(C)c4)CC3)c2)n1 ZINC000585271166 1071025472 /nfs/dbraw/zinc/02/54/72/1071025472.db2.gz KTARNIBMBGNDCV-UHFFFAOYSA-N 1 0 512.094 5.645 40 0 KKABRO CC(C)(C)OC(=O)N1[C@@H](c2ccc(F)cc2)C[C@]2(C)[C@H]1CCC[C@H]([NH2+]Cc1ccc(OCCN3CCOCC3)cc1)[C@H]2O ZINC000585274243 1071031222 /nfs/dbraw/zinc/03/12/22/1071031222.db2.gz USQLCCYFDBGBQY-YYUTWDAKSA-N 1 0 597.772 5.297 40 0 KKABRO COc1ccc(C[NH+]2CCC(O)(COc3cc(C)ccc3Cl)CC2)cc1OCCCn1cc(C)cn1 ZINC000585274706 1071030779 /nfs/dbraw/zinc/03/07/79/1071030779.db2.gz MENOYNWEWJEOIV-UHFFFAOYSA-N 1 0 514.066 5.037 40 0 KKABRO CCc1nccn1CCOc1ccc(C[N@@H+]2CCC[C@](COc3ccccc3F)(OC)CC2)cc1OC ZINC000585272642 1071028361 /nfs/dbraw/zinc/02/83/61/1071028361.db2.gz VBSRJXRAYPAHIU-LJAQVGFWSA-N 1 0 511.638 5.122 40 0 KKABRO COc1cc(C[N@@H+]2CCC[C@](O)(COc3ccc(Cl)c(Cl)c3)CC2)ccc1OCCCn1cc(C)cn1 ZINC000585274344 1071031741 /nfs/dbraw/zinc/03/17/41/1071031741.db2.gz JFSJSZDTFUBTMZ-MUUNZHRXSA-N 1 0 548.511 5.772 40 0 KKABRO COc1ccc(C[N@@H+]2CCC[C@@](O)(COc3cc(C)c(Cl)c(C)c3)C2)cc1OCCCN1CCCCCC1=O ZINC000585280271 1071036284 /nfs/dbraw/zinc/03/62/84/1071036284.db2.gz LJWNXLHCWHVICG-HKBQPEDESA-N 1 0 559.147 5.543 40 0 KKABRO O=C1CCCCCN1CCCOc1cccc(C[N@H+]2CCC[C@](O)(COc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000585273504 1071032925 /nfs/dbraw/zinc/03/29/25/1071032925.db2.gz SCMWRMANWUVDOF-GDLZYMKVSA-N 1 0 549.539 5.961 40 0 KKABRO CCc1nccn1CCOc1cc(C[N@@H+]2CCC[C@](COc3ccc(C)cc3)(OC)CC2)ccc1OC ZINC000585273318 1071033472 /nfs/dbraw/zinc/03/34/72/1071033472.db2.gz ZMTGZIFTIABGNQ-PMERELPUSA-N 1 0 507.675 5.292 40 0 KKABRO COc1cc(C[N@@H+]2CCC[C@](O)(COc3ccc(Cl)c(Cl)c3)CC2)ccc1OCCn1ccnc1C ZINC000585273326 1071033767 /nfs/dbraw/zinc/03/37/67/1071033767.db2.gz ZTLXPMCZCIDDFF-HHHXNRCGSA-N 1 0 534.484 5.382 40 0 KKABRO CCc1nccn1CCOc1cccc(C[NH+]2CCC(O)(COc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000585273417 1071034542 /nfs/dbraw/zinc/03/45/42/1071034542.db2.gz NWJRTCQOFUJDOU-UHFFFAOYSA-N 1 0 504.458 5.237 40 0 KKABRO COC1(COc2ccc(Cl)c(Cl)c2)CC[NH+](Cc2ccc(OCCn3ccnc3C(C)C)cc2)CC1 ZINC000585280290 1071036596 /nfs/dbraw/zinc/03/65/96/1071036596.db2.gz MFAVEGUYVNURTO-UHFFFAOYSA-N 1 0 532.512 6.452 40 0 KKABRO COc1cc(C[NH+]2CCC(O)(COc3ccc(Cl)c(Cl)c3)CC2)ccc1OCCCn1cc(C)cn1 ZINC000585275091 1071035058 /nfs/dbraw/zinc/03/50/58/1071035058.db2.gz WEMZVVVLCKDTLI-UHFFFAOYSA-N 1 0 534.484 5.382 40 0 KKABRO CC(C)c1nccn1CCOc1ccc(C[NH+]2CCC(O)(COc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000585280838 1071035273 /nfs/dbraw/zinc/03/52/73/1071035273.db2.gz TZTMKBXMWHMPLE-UHFFFAOYSA-N 1 0 518.485 5.798 40 0 KKABRO COc1ccc(C[N@@H+]2CCC[C@@](O)(COc3ccc(C)cc3C)CC2)cc1OCCCN1CCCCCC1=O ZINC000585280708 1071035730 /nfs/dbraw/zinc/03/57/30/1071035730.db2.gz RPDBDSVVSCCDCE-YTTGMZPUSA-N 1 0 538.729 5.280 40 0 KKABRO COc1cc(C[N@@H+]2CCC[C@](O)(COc3ccc(C)cc3C)CC2)ccc1OCCCN1CCCCCC1=O ZINC000585280991 1071037063 /nfs/dbraw/zinc/03/70/63/1071037063.db2.gz UXRKXLWINQEDMT-JGCGQSQUSA-N 1 0 538.729 5.280 40 0 KKABRO COc1cc(C[NH+]2CCC(O)(COc3cc(C)c(Cl)c(C)c3)CC2)ccc1OCCCN1CCCCCC1=O ZINC000585279757 1071037534 /nfs/dbraw/zinc/03/75/34/1071037534.db2.gz GTBPKMGDZRPWKX-UHFFFAOYSA-N 1 0 559.147 5.543 40 0 KKABRO COc1ccc(C[N@@H+]2CCC[C@@](COc3ccccc3F)(OC)CC2)cc1OCCCN1CCCCCC1=O ZINC000585281259 1071037562 /nfs/dbraw/zinc/03/75/62/1071037562.db2.gz XQHGYUQEHNQYKW-WJOKGBTCSA-N 1 0 542.692 5.456 40 0 KKABRO Cc1nc(C(F)(F)F)ccc1C(=O)Nc1cc(C(=O)Nc2ccccc2OC[C@@H]2CCCO2)ccc1N1CC[NH+](C)CC1 ZINC000585293815 1071047153 /nfs/dbraw/zinc/04/71/53/1071047153.db2.gz AOUALJJAYIMDCW-QFIPXVFZSA-N 1 0 597.638 5.223 40 0 KKABRO CCCc1nc2sc(C)c(C)c2c(NC2CC[NH+](Cc3ccc(OC)c(Cc4c(C)noc4C)c3)CC2)n1 ZINC000585293906 1071047171 /nfs/dbraw/zinc/04/71/71/1071047171.db2.gz BRPFMIHXOHIFAA-UHFFFAOYSA-N 1 0 533.742 6.541 40 0 KKABRO Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C[NH+]4CCN(c5ccccc5)CC4)cc3)cc2)c(C)c1 ZINC000408920173 1071110547 /nfs/dbraw/zinc/11/05/47/1071110547.db2.gz ABNXQKRSSXWNLX-UHFFFAOYSA-N 1 0 554.716 5.679 40 0 KKABRO O=S1(=O)CC[C@H](N(CC[NH2+]C(c2ccccc2)c2ccccc2)C(c2ccccc2)c2ccccc2)C1 ZINC000575419554 1071137888 /nfs/dbraw/zinc/13/78/88/1071137888.db2.gz NNDSMDXYOLGNFN-PMERELPUSA-N 1 0 510.703 5.644 40 0 KKABRO O=C(CCCC(=O)Nc1ccc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1)NCCc1ccccc1 ZINC000110484885 1071215350 /nfs/dbraw/zinc/21/53/50/1071215350.db2.gz KYAHTJQWANJZCH-UHFFFAOYSA-N 1 0 560.742 6.066 40 0 KKABRO O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000408711213 1071501700 /nfs/dbraw/zinc/50/17/00/1071501700.db2.gz IMMMACPNLRVFOP-UHFFFAOYSA-N 1 0 552.018 6.398 40 0 KKABRO O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000408710401 1071506887 /nfs/dbraw/zinc/50/68/87/1071506887.db2.gz HPJIAKDLUYERQP-UHFFFAOYSA-N 1 0 536.456 5.784 40 0 KKABRO Cc1cccc(C[NH+]2CCC(C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3)CC2)c1 ZINC000408710420 1071507563 /nfs/dbraw/zinc/50/75/63/1071507563.db2.gz WCDVKUCTMUURNF-UHFFFAOYSA-N 1 0 566.045 6.319 40 0 KKABRO O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000408710394 1071509621 /nfs/dbraw/zinc/50/96/21/1071509621.db2.gz DAENLTGOSUMXNQ-UHFFFAOYSA-N 1 0 552.911 6.298 40 0 KKABRO O=[N+](/C(=C\N(O)c1c(Br)cc(F)cc1Br)c1cc2nonc2c(N2CCOCC2)c1)c1c(Br)cc(F)cc1Br ZINC000408710521 1071509175 /nfs/dbraw/zinc/50/91/75/1071509175.db2.gz LMTGIYBLLBEPLA-NHDPSOOVSA-N 1 0 796.035 7.692 40 0 KKABRO Cn1nc(-c2ccc3ccccc3c2)cc1[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2COC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000067870654 1072898742 /nfs/dbraw/zinc/89/87/42/1072898742.db2.gz COZFDLURHJBMRN-BYXVTNLJSA-N 1 0 534.582 6.686 40 0 biogenic,in-vitro KKABRO CCCCCC[N@@H+]1CC[C@H]2CC(=O)N(CC3CCC(F)(F)CC3)C[C@H](O)C(C)(C)COCCC[C@H]2C1 ZINC001534613772 1073172802 /nfs/dbraw/zinc/17/28/02/1073172802.db2.gz YAMPWDBGMKCRCT-GSDHBNRESA-N 1 0 514.742 5.747 40 0 KKABRO COc1cc([C@H](CC(=O)NCc2c3c(c(OC)c4c2CC[N@H+](C)C4)OCO3)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc(OC)c1OC ZINC001547139098 1073184146 /nfs/dbraw/zinc/18/41/46/1073184146.db2.gz JOJZUXJZKFSQTL-OUTSHDOLSA-N 1 0 788.891 6.169 40 0 KKABRO COc1cc([C@@H](CC(=O)NC[C@H](c2cc(OC)c(OC)c(OC)c2)[NH+](C)C)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc(OC)c1OC ZINC001547139119 1073184611 /nfs/dbraw/zinc/18/46/11/1073184611.db2.gz JWJFXGGPASITAC-WXKJZWBCSA-N 1 0 792.923 6.572 40 0 KKABRO COc1cc2c3c(c1O)-c1cc(OC)c(Oc4c(C[C@@H]5c6cc(OC)c(OC)cc6CC[N@H+]5C)ccc(OC)c4OC)cc1C[C@H]3N(C)CC2 ZINC000008435200 1073202706 /nfs/dbraw/zinc/20/27/06/1073202706.db2.gz IBHSRCBKJMEBQB-FQLXRVMXSA-N 1 0 682.814 6.760 40 0 biogenic,in-vitro KKABRO Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCc3ccc(C[NH+]4CCCCC4)cc3)Oc3ccc(C(C)(C)C)cc32)cc1 ZINC000224524917 193962152 /nfs/dbraw/zinc/96/21/52/193962152.db2.gz YLCPKMHHPDWURM-HKBQPEDESA-N 1 0 575.775 5.551 40 0 KKABRO COc1ccc([C@@H]2N[C@H](c3ccc(OC)cc3)C3C(=O)C2[C@H](c2ccc(OC)cc2)[NH2+][C@H]3c2ccc(OC)cc2)cc1 ZINC000001231786 551629091 /nfs/dbraw/zinc/62/90/91/551629091.db2.gz SJYGOTYPICEFKJ-FWXVZOJLSA-N 1 0 564.682 5.994 40 0 KKABRO CCC[C@@H](c1nnnn1Cc1ccc(F)cc1)N(Cc1cccs1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001335481 551645376 /nfs/dbraw/zinc/64/53/76/551645376.db2.gz QMSFABHADTVFRB-SANMLTNESA-N 1 0 532.645 5.316 40 0 KKABRO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)N(CCc1ccc(OC)c(OC)c1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374292 551653519 /nfs/dbraw/zinc/65/35/19/551653519.db2.gz QFHGJWBHGZUVGC-NDEPHWFRSA-N 1 0 570.669 5.224 40 0 KKABRO CC[C@H](c1nnnn1Cc1ccc(F)cc1)N(Cc1ccc(C)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374722 551654594 /nfs/dbraw/zinc/65/45/94/551654594.db2.gz WIAGTDNGLYPDRS-MUUNZHRXSA-N 1 0 526.616 5.173 40 0 KKABRO CC[C@H](c1nnnn1C(C)(C)CC)N(Cc1ccc2c(c1)OCO2)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000001375230 551656534 /nfs/dbraw/zinc/65/65/34/551656534.db2.gz IHBOSGINEXRPKK-XMMPIXPASA-N 1 0 516.646 5.159 40 0 KKABRO CC[C@H](c1nnnn1Cc1ccccc1)N(Cc1ccc(OC)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000001375266 551656587 /nfs/dbraw/zinc/65/65/87/551656587.db2.gz RGBPUJZLIQIJFG-GDLZYMKVSA-N 1 0 522.653 5.342 40 0 KKABRO CSc1ccccc1N(Cc1cccc(C(F)(F)F)c1)C(=O)CN(CC[NH+](C)C)C(=O)OCC(C)C ZINC000003780173 552418320 /nfs/dbraw/zinc/41/83/20/552418320.db2.gz MJOGWNMYQLVUOU-UHFFFAOYSA-N 1 0 525.637 5.617 40 0 in-man KKABRO CCCC[NH+](CCCC)C[C@H](O)c1cc(-c2ccc(C(F)(F)F)cc2)nc(-c2ccc(C(F)(F)F)cc2)c1 ZINC000005390162 552500572 /nfs/dbraw/zinc/50/05/72/552500572.db2.gz RTUBXSRHTMHYRE-MHZLTWQESA-N 1 0 538.576 8.389 40 0 KKABRO COc1c(Br)cc(Br)cc1C(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000006288734 552578654 /nfs/dbraw/zinc/57/86/54/552578654.db2.gz NPYZFCDSZPUAAO-UHFFFAOYSA-N 1 0 559.302 5.795 40 0 KKABRO CC[NH+](CC)CCCN(C(=O)c1ccc(-c2ccccc2)[nH]1)[C@@H](C(=O)NC1CCCC1)c1ccc(F)cc1 ZINC000006511230 552597071 /nfs/dbraw/zinc/59/70/71/552597071.db2.gz MXZCZHQVJVDTES-GDLZYMKVSA-N 1 0 518.677 5.795 40 0 KKABRO CCCC[NH+](CCCC)C[C@@H](O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2c(Cl)cc(Cl)cc12 ZINC000008627570 553104738 /nfs/dbraw/zinc/10/47/38/553104738.db2.gz PGLJCSZNFGDTFZ-XMMPIXPASA-N 1 0 514.324 8.451 40 0 KKABRO CCCC[NH+](CCCC)C[C@@H](O)c1cc(-c2ccc(C(F)(F)F)cc2)nc2c(Cl)cc(Cl)cc12 ZINC000008635263 553105000 /nfs/dbraw/zinc/10/50/00/553105000.db2.gz BOAVFNQXQBLXNI-XMMPIXPASA-N 1 0 513.431 8.163 40 0 KKABRO Cc1sc(NC(=O)C[N@@H+](C)C2CCCCC2)nc1-c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1 ZINC000008763119 553137842 /nfs/dbraw/zinc/13/78/42/553137842.db2.gz DZYPKTRQRNNTAC-UHFFFAOYSA-N 1 0 524.712 5.073 40 0 KKABRO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)C[n+]1c2ccccc2n(C)c1COc1ccc(Br)cc1 ZINC000008763973 553138129 /nfs/dbraw/zinc/13/81/29/553138129.db2.gz BJYBBFVRKCVANY-OPJGWUQDSA-N 1 0 514.484 5.811 40 0 KKABRO Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)C3CC[NH+](Cc4ccccc4Cl)CC3)cc2)cc1C ZINC000009063238 553205236 /nfs/dbraw/zinc/20/52/36/553205236.db2.gz NULMGYIOELIHOS-UHFFFAOYSA-N 1 0 512.075 5.608 40 0 KKABRO O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010313948 553332500 /nfs/dbraw/zinc/33/25/00/553332500.db2.gz DNFQZNRGQVBDQI-UHFFFAOYSA-N 1 0 514.445 5.098 40 0 KKABRO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013064700 553444289 /nfs/dbraw/zinc/44/42/89/553444289.db2.gz LVBADSNWGRJPCV-HHHXNRCGSA-N 1 0 502.638 5.605 40 0 KKABRO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013064953 553444401 /nfs/dbraw/zinc/44/44/01/553444401.db2.gz GLPAFWPORRJRJB-MHZLTWQESA-N 1 0 502.638 5.605 40 0 KKABRO COc1ccc(CN(C(=O)c2cc3sccc3n2Cc2ccccc2)C2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000013083074 553445227 /nfs/dbraw/zinc/44/52/27/553445227.db2.gz HMNYAFFIAKCGPM-UHFFFAOYSA-N 1 0 515.723 6.711 40 0 KKABRO CCC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C1CCCCC1 ZINC000013499354 553465270 /nfs/dbraw/zinc/46/52/70/553465270.db2.gz YLYDICXIXJBHEB-MHZLTWQESA-N 1 0 518.637 5.387 40 0 KKABRO CCOc1cc(C[NH2+]CCc2ccc(OC)cc2)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000016688443 553573119 /nfs/dbraw/zinc/57/31/19/553573119.db2.gz XESDZGIGJNNSBR-UHFFFAOYSA-N 1 0 504.852 6.421 40 0 KKABRO CCOc1cc(C[NH2+][C@@H](C)C23CC4CC(CC(C4)C2)C3)cc(Br)c1OCc1ccccc1F ZINC000016688707 553573212 /nfs/dbraw/zinc/57/32/12/553573212.db2.gz PQUWWNSYFBJORO-CBKZDSQWSA-N 1 0 516.495 7.260 40 0 KKABRO O=C(c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020238805 553624365 /nfs/dbraw/zinc/62/43/65/553624365.db2.gz XHMQOWAGHDZMTA-UHFFFAOYSA-N 1 0 501.674 5.792 40 0 KKABRO C[C@H]1CCC=C2C[C@H]3OC(=O)[C@H](C[NH+]4CCN([C@@H](c5ccccc5)c5ccc(Cl)cc5)CC4)[C@H]3[C@@H](O)[C@@]21C ZINC000020411428 553646348 /nfs/dbraw/zinc/64/63/48/553646348.db2.gz FGXQERORDNVKRX-FNUPSXLFSA-N 1 0 535.128 5.332 40 0 KKABRO Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C[N@@H+]4CCc5ccccc5C4)cc3)cc2)c(C)c1 ZINC000020060735 553672435 /nfs/dbraw/zinc/67/24/35/553672435.db2.gz RIZIWMOGAUQWLK-UHFFFAOYSA-N 1 0 525.674 5.915 40 0 KKABRO C/C=C1\CN2CCc3c4ccccc4[nH]c3[C@@H]2C[C@@H]1[C@@H](Cc1c[n+]2c(c3[nH]c4ccccc4c31)C[C@H]1C(C(=O)OC)=CO[C@@H](C)[C@@H]1C2)C(=O)OC ZINC000085857430 553687069 /nfs/dbraw/zinc/68/70/69/553687069.db2.gz QWAUBSSAJRGKPX-XLUKQCNVSA-O 1 0 685.845 6.251 40 0 KKABRO COc1cc(C[NH2+][C@H](C)C23CC4CC(CC(C4)C2)C3)cc(Br)c1OCc1ccccc1F ZINC000022073639 553725428 /nfs/dbraw/zinc/72/54/28/553725428.db2.gz SATYIXHEXPULQW-IHAPDJFTSA-N 1 0 502.468 6.870 40 0 KKABRO CCOc1cc(C[NH2+]C2C3CC4CC(C3)CC2C4)cc(Br)c1OCc1ccccc1Cl ZINC000022073816 553725822 /nfs/dbraw/zinc/72/58/22/553725822.db2.gz CNHRCRREMVJHNI-UHFFFAOYSA-N 1 0 504.896 6.995 40 0 KKABRO CCOc1cc(C[NH2+]CCCSc2nnnn2-c2ccccc2)ccc1OCc1ccc(Cl)cc1 ZINC000022108882 553726026 /nfs/dbraw/zinc/72/60/26/553726026.db2.gz ARRIZMJFXMSHLY-UHFFFAOYSA-N 1 0 510.063 5.565 40 0 KKABRO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1cccc2c(Br)cccc12 ZINC000022821909 553751659 /nfs/dbraw/zinc/75/16/59/553751659.db2.gz GMTKXAQLINARCR-UHFFFAOYSA-N 1 0 500.440 6.177 40 0 KKABRO Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)cc2c1 ZINC000022871679 553765525 /nfs/dbraw/zinc/76/55/25/553765525.db2.gz OJUQEVJHABXDKE-YTTGMZPUSA-N 1 0 559.718 5.435 40 0 KKABRO Cc1ccc(C)c2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)cc12 ZINC000022871597 553765531 /nfs/dbraw/zinc/76/55/31/553765531.db2.gz NYHMSPVYKGEDKG-MGBGTMOVSA-N 1 0 573.745 5.743 40 0 KKABRO Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)cc2c1 ZINC000022871674 553765568 /nfs/dbraw/zinc/76/55/68/553765568.db2.gz MFBQWMGEVOMLKL-PMERELPUSA-N 1 0 547.707 5.075 40 0 KKABRO Cc1cccc2cc([C@H](c3nnnn3C3CCCCC3)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c(=O)[nH]c12 ZINC000022872884 553766085 /nfs/dbraw/zinc/76/60/85/553766085.db2.gz BQTOXVRWAUFLSP-MGBGTMOVSA-N 1 0 573.745 5.825 40 0 KKABRO Cc1cccc2cc([C@@H](c3nnnn3C3CCCCC3)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c(=O)[nH]c12 ZINC000022872825 553766138 /nfs/dbraw/zinc/76/61/38/553766138.db2.gz BQTOXVRWAUFLSP-XIFFEERXSA-N 1 0 573.745 5.825 40 0 KKABRO CCCCCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCC[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000100153424 554232245 /nfs/dbraw/zinc/23/22/45/554232245.db2.gz OXYGITQLHROVFI-NDEPHWFRSA-N 1 0 628.239 5.217 40 0 KKABRO Cc1cccc(C[NH+]2CCC(C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(C)c(Cl)c4)cc3)CC2)c1 ZINC000039743278 554279990 /nfs/dbraw/zinc/27/99/90/554279990.db2.gz BENSTGXTAGQASO-UHFFFAOYSA-N 1 0 512.075 5.608 40 0 KKABRO COc1ccc(NS(=O)(=O)c2ccc(NC(=O)C3CC[NH+](Cc4ccccc4Cl)CC3)cc2)cc1 ZINC000039758430 554280215 /nfs/dbraw/zinc/28/02/15/554280215.db2.gz BNEQFHAJZDOREE-UHFFFAOYSA-N 1 0 514.047 5.000 40 0 KKABRO O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000039761021 554280317 /nfs/dbraw/zinc/28/03/17/554280317.db2.gz WNUHUHYCDXLNPU-UHFFFAOYSA-N 1 0 518.466 5.645 40 0 KKABRO Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)C3CC[NH+](Cc4ccccc4C)CC3)cc2)cc1Cl ZINC000039765831 554280645 /nfs/dbraw/zinc/28/06/45/554280645.db2.gz RPOSLEQKQYDROE-UHFFFAOYSA-N 1 0 512.075 5.608 40 0 KKABRO O[C@H](COCC(c1ccccc1)c1ccccc1)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000040373211 554283401 /nfs/dbraw/zinc/28/34/01/554283401.db2.gz SVYCRMGBUOYBJO-YTTGMZPUSA-N 1 0 506.690 5.603 40 0 KKABRO Cc1ccc(N(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1C ZINC000044857356 554305833 /nfs/dbraw/zinc/30/58/33/554305833.db2.gz YLMWUKRHEXFJMP-UHFFFAOYSA-N 1 0 526.102 5.064 40 0 KKABRO Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3ccc(C[NH+]4CCCCC4)cc3)ccc2C)c(C)c1 ZINC000044874324 554306955 /nfs/dbraw/zinc/30/69/55/554306955.db2.gz HASUIOZMQMXHCK-UHFFFAOYSA-N 1 0 505.684 5.329 40 0 KKABRO CCc1cccc(CC)c1NC(=O)c1nn(C)c2c1CCc1cnc(Nc3ccc(C(=O)NC4CC[NH+](C)CC4)cc3OC(F)(F)F)nc1-2 ZINC000058649424 554364953 /nfs/dbraw/zinc/36/49/53/554364953.db2.gz JFOAJUGFHDCBJJ-UHFFFAOYSA-N 1 0 676.744 5.819 40 0 in-vitro KKABRO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000059144156 554383619 /nfs/dbraw/zinc/38/36/19/554383619.db2.gz FEAVBRDFTRUZPF-IMKBVMFZSA-N 1 0 564.770 7.187 40 0 in-vitro KKABRO Cc1ccc(C(=O)N/C(=C/c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)C(=O)NCC[NH+]2CCCC2)cc1 ZINC000100455042 554396040 /nfs/dbraw/zinc/39/60/40/554396040.db2.gz CTDTXVMSOLKVBA-JJIBRWJFSA-N 1 0 545.989 5.910 40 0 KKABRO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1ccc(-c2cc3ccccc3oc2=O)cc1 ZINC000059559281 554407110 /nfs/dbraw/zinc/40/71/10/554407110.db2.gz MRQKJTALAISONU-UHFFFAOYSA-N 1 0 515.613 6.035 40 0 KKABRO O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000059881616 554457229 /nfs/dbraw/zinc/45/72/29/554457229.db2.gz ZGUCOXHEIVQDNT-UHFFFAOYSA-N 1 0 566.510 6.605 40 0 KKABRO O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000059885894 554465356 /nfs/dbraw/zinc/46/53/56/554465356.db2.gz BMCLCLPHYPPJKY-UHFFFAOYSA-N 1 0 600.062 6.970 40 0 KKABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4cc(Cl)cc(Cl)c4)cc3)cc2)C1 ZINC000060028167 554490814 /nfs/dbraw/zinc/49/08/14/554490814.db2.gz CQXKZDYHZTYQPP-GOSISDBHSA-N 1 0 532.493 6.278 40 0 KKABRO CC(C)(C)c1ccc(-c2cc(C[C@H]3C[NH2+]CC[C@H]3CC(=O)N3CCC(n4c(=O)[nH]c5ccccc54)CC3)no2)cc1 ZINC000067878768 554534160 /nfs/dbraw/zinc/53/41/60/554534160.db2.gz WDCRYSKWPQXSKJ-ZEQRLZLVSA-N 1 0 555.723 5.304 40 0 biogenic,in-vitro KKABRO FC(F)(F)c1cccc(-n2cc(-c3ccccc3)c3c2ncnc3N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000100994450 554550545 /nfs/dbraw/zinc/55/05/45/554550545.db2.gz NDQIQUUTGHWVLL-UHFFFAOYSA-N 1 0 589.665 8.018 40 0 KKABRO CCOc1cc(C[NH2+]CCCSc2nnnn2-c2ccccc2)cc(Br)c1OCc1ccc(F)cc1 ZINC000102558691 554966334 /nfs/dbraw/zinc/96/63/34/554966334.db2.gz TWBAXBGKYIGWHH-UHFFFAOYSA-N 1 0 572.504 5.814 40 0 KKABRO COc1cc(C[NH2+]CCSc2nnnn2-c2ccccc2)cc(Br)c1OCc1ccc(F)cc1 ZINC000102559317 554966483 /nfs/dbraw/zinc/96/64/83/554966483.db2.gz CTSIQLINIIHIAE-UHFFFAOYSA-N 1 0 544.450 5.033 40 0 KKABRO CCOc1cc(C[NH2+]Cc2ccc3c(c2)OCO3)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000102567337 554970041 /nfs/dbraw/zinc/97/00/41/554970041.db2.gz LLPHSWQQUJIZLG-UHFFFAOYSA-N 1 0 539.253 6.752 40 0 KKABRO Fc1ccc(-c2nn(-c3ccccc3)cc2CNCC[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1 ZINC000102584554 554973032 /nfs/dbraw/zinc/97/30/32/554973032.db2.gz DFLSSAPJZOKGNG-UHFFFAOYSA-N 1 0 560.652 6.550 40 0 KKABRO c1ccc(-c2c(-c3ccc(OCC[NH+]4CCCC4)cc3)[nH]c3ncnc(NCC4SCCS4)c32)cc1 ZINC000038246580 562070647 /nfs/dbraw/zinc/07/06/47/562070647.db2.gz ZJLXSIPWULUCRJ-UHFFFAOYSA-N 1 0 517.724 5.985 40 0 KKABRO COc1cc(C(N)=O)ccc1NC(=O)[C@@H]1[NH2+][C@@H](CC(C)(C)C)[C@]2(c3ccc(Cl)cc3NC2=O)[C@H]1c1cccc(Cl)c1F ZINC000103253989 562820615 /nfs/dbraw/zinc/82/06/15/562820615.db2.gz MURAVORBGFDSMA-ISKXDESKSA-N 1 0 613.517 5.629 40 0 KKABRO CCCOc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc(OC)cc3)N3C=Cc4ccccc4[C@@H]3[C@@]23c2ccccc2NC3=O)cc1 ZINC000103288028 571361427 /nfs/dbraw/zinc/36/14/27/571361427.db2.gz GCVAVYPQFCUTGS-CYPQMOBWSA-N 1 0 584.672 6.466 40 0 KKABRO COc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccc(OC(C)C)cc3)[C@@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN23)cc1 ZINC000103528261 571361792 /nfs/dbraw/zinc/36/17/92/571361792.db2.gz KOWNEUAZNSISRI-YUIGLEDNSA-N 1 0 584.672 6.464 40 0 KKABRO CC(C)(C)C[C@@H]1[NH2+][C@H](C(=O)NC2CCC(O)CC2)[C@H](c2cccc(Cl)c2F)[C@]12C(=O)Nc1cc(Cl)ccc12 ZINC000222487410 571363887 /nfs/dbraw/zinc/36/38/87/571363887.db2.gz IDKAKZRYYDCJDU-PCIYWRCHSA-N 1 0 562.513 5.303 40 0 KKABRO CC[C@@H]1C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@@H]1c2cc(OC)c(OC)cc2CCN1N=O ZINC000104018724 571371379 /nfs/dbraw/zinc/37/13/79/571371379.db2.gz DSESAZXQJDLHQZ-TXQMCKRASA-N 1 0 509.647 5.337 40 0 KKABRO CCOc1cc(C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000105251885 571392317 /nfs/dbraw/zinc/39/23/17/571392317.db2.gz AAOFMUIBJLYSCN-UHFFFAOYSA-N 1 0 553.906 5.060 40 0 KKABRO CCOc1cc(C[NH2+]CCSc2nnnn2C)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000105251975 571392336 /nfs/dbraw/zinc/39/23/36/571392336.db2.gz PLFLLTQROPVKPQ-UHFFFAOYSA-N 1 0 547.306 5.139 40 0 KKABRO COc1ccc(CCNC(=O)c2ccccc2NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1OC ZINC000108499622 571425899 /nfs/dbraw/zinc/42/58/99/571425899.db2.gz FMDNPZKVVMZHDR-UHFFFAOYSA-N 1 0 536.072 5.180 40 0 KKABRO CCS(=O)(=O)Nc1ccc2c(c1)C(=C(Nc1ccc(C[NH+]3CCCCC3)cc1)c1ccccc1)C(=O)N2 ZINC000115270495 571443325 /nfs/dbraw/zinc/44/33/25/571443325.db2.gz GLDSKRNGVVYJAB-BYYHNAKLSA-N 1 0 516.667 5.367 40 0 KKABRO CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(C)C4=C[C@H](OC(=O)CC[NH+]5C[C@@H](C)C[C@H](C)C5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000118919110 571445664 /nfs/dbraw/zinc/44/56/64/571445664.db2.gz CPJHDWYZEVQMHG-WZMWBARXSA-N 1 0 553.784 6.286 40 0 KKABRO CC(=O)O[C@H]1CC[C@@]2(C)C(=C[C@H]([NH2+]C3CCCCC3)[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1 ZINC000118933526 571447755 /nfs/dbraw/zinc/44/77/55/571447755.db2.gz FTLRMZFOMOKYGR-OFICMIBKSA-N 1 0 525.862 8.860 40 0 KKABRO C[C@H]1[C@H]2CC[C@@H](C)C[N@@H+]2[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(COC(=O)c3ccccc3)[C@@H]12 ZINC000118936290 571447964 /nfs/dbraw/zinc/44/79/64/571447964.db2.gz YAMLGKVIAKRQOH-ROPJWGLZSA-N 1 0 517.754 6.492 40 0 KKABRO C[NH+](C)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Br)cc2F)o1 ZINC000223244876 571449782 /nfs/dbraw/zinc/44/97/82/571449782.db2.gz HNPASMDGVZQZLI-VXKWHMMOSA-N 1 0 503.441 5.167 40 0 KKABRO C[NH+](C)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(F)cc2Br)o1 ZINC000223245487 571449885 /nfs/dbraw/zinc/44/98/85/571449885.db2.gz HPVYUFMFFNZFTC-FCHUYYIVSA-N 1 0 503.441 5.167 40 0 KKABRO O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000139869295 571454053 /nfs/dbraw/zinc/45/40/53/571454053.db2.gz LAQXTJBIWDYGFX-UHFFFAOYSA-N 1 0 545.627 5.203 40 0 KKABRO O=C(CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000139870464 571454059 /nfs/dbraw/zinc/45/40/59/571454059.db2.gz CKCMSKJOGJNGTN-UHFFFAOYSA-N 1 0 546.520 5.491 40 0 KKABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c2cccc(Br)c2)cc1 ZINC000139871338 571454067 /nfs/dbraw/zinc/45/40/67/571454067.db2.gz YERYHIXLTZLEIA-UHFFFAOYSA-N 1 0 570.553 5.255 40 0 KKABRO COc1ccc(Cl)cc1N(CC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000139872344 571454075 /nfs/dbraw/zinc/45/40/75/571454075.db2.gz JRPGRBXYULZLFN-UHFFFAOYSA-N 1 0 556.128 5.155 40 0 KKABRO COc1ccc2c(c1)[C@@]1(C[C@@H]1c1ccc3c(C=Cc4ccc(C[N@H+]5C[C@@H](C)O[C@@H](C)C5)cc4)n[nH]c3c1)C(=O)N2 ZINC000144995334 571456457 /nfs/dbraw/zinc/45/64/57/571456457.db2.gz DADASRPKWOGKCU-HTXBYUSESA-N 1 0 534.660 5.729 40 0 KKABRO Cc1ccc(S(=O)(=O)NC(=[NH2+])NCCC[C@@H](NC(=O)OCc2ccccc2)C(=O)N[C@@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)cc1 ZINC000150361954 571463927 /nfs/dbraw/zinc/46/39/27/571463927.db2.gz NHCVBIVFFSAZGG-FARBQYLXSA-N 1 0 733.976 5.681 40 0 KKABRO CCOC(=O)[C@H](C)NC(=O)[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000150382636 571467331 /nfs/dbraw/zinc/46/73/31/571467331.db2.gz QMRLLTMNQJHCEC-OFGIETDASA-N 1 0 704.936 8.730 40 0 KKABRO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1CCC[NH+]1CCOCC1 ZINC000224491653 571558999 /nfs/dbraw/zinc/55/89/99/571558999.db2.gz GIRSMXNJILOPHR-FTJBHMTQSA-N 1 0 554.558 5.162 40 0 KKABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2cccc(C[NH+]3CCCC3)c2)c2ccc(Cl)cc2C)cc1 ZINC000224597730 571583197 /nfs/dbraw/zinc/58/31/97/571583197.db2.gz WZEYRQRFNRQQQB-UHFFFAOYSA-N 1 0 526.102 5.064 40 0 KKABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2cccc(C[NH+]3CCCC3)c2)c2ccc(Oc3ccccc3)cc2)cc1 ZINC000224620297 571588464 /nfs/dbraw/zinc/58/84/64/571588464.db2.gz VBXUHNXGARORQK-UHFFFAOYSA-N 1 0 569.727 5.895 40 0 KKABRO Cc1ccc(Cl)cc1N(CC(=O)NCc1cccc(C[NH+]2CCCCC2)c1)S(=O)(=O)c1ccccc1 ZINC000224649697 571594996 /nfs/dbraw/zinc/59/49/96/571594996.db2.gz LJNJCFQKYCYANX-UHFFFAOYSA-N 1 0 526.102 5.146 40 0 KKABRO COc1ccc(N(CC(=O)NCc2cccc(C[NH+]3CCCCC3)c2)S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000224652571 571595919 /nfs/dbraw/zinc/59/59/19/571595919.db2.gz KJVZRGPEGZGPGJ-UHFFFAOYSA-N 1 0 556.128 5.155 40 0 KKABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2cccc(C[NH+]3CCCCC3)c2)c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000224652644 571595937 /nfs/dbraw/zinc/59/59/37/571595937.db2.gz CBHKNPZFTGFDDU-UHFFFAOYSA-N 1 0 594.099 6.165 40 0 KKABRO O=C(NCc1cccc(C[NH+]2CCCCC2)c1)c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1 ZINC000224657399 571597062 /nfs/dbraw/zinc/59/70/62/571597062.db2.gz LAXLWZOUGICLPD-UHFFFAOYSA-N 1 0 553.728 5.998 40 0 KKABRO CCOc1ccccc1N(CC(=O)NCc1cccc(C[NH+]2CCCCC2)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224659379 571597447 /nfs/dbraw/zinc/59/74/47/571597447.db2.gz PROBPBHSLADCOQ-UHFFFAOYSA-N 1 0 556.128 5.236 40 0 KKABRO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)c(C)n1CCC[NH+]1CCOCC1 ZINC000224666578 571599047 /nfs/dbraw/zinc/59/90/47/571599047.db2.gz RHFYZCBLSMJZGE-SAIUNTKASA-N 1 0 581.786 6.500 40 0 KKABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2C[NH+]2CCCC2)c2ccc(C)c(Cl)c2)cc1 ZINC000224764113 571614978 /nfs/dbraw/zinc/61/49/78/571614978.db2.gz AVUSXXVSGBMYEP-UHFFFAOYSA-N 1 0 526.102 5.064 40 0 KKABRO O=C(NCc1ccccc1C[NH+]1CCCC1)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1 ZINC000224768390 571615307 /nfs/dbraw/zinc/61/53/07/571615307.db2.gz FGGZRUTUGKPUHB-UHFFFAOYSA-N 1 0 539.701 5.608 40 0 KKABRO Cc1ccc(N(CC(=O)NCc2ccccc2C[NH+]2CCCC2)S(=O)(=O)c2ccc(Cl)cc2)cc1C ZINC000224770385 571615518 /nfs/dbraw/zinc/61/55/18/571615518.db2.gz DEHYNLPQTOODNZ-UHFFFAOYSA-N 1 0 526.102 5.064 40 0 KKABRO CS(=O)(=O)N(Cc1ccc(C(=O)NCc2ccccc2C[NH+]2CCCC2)cc1)c1cc(Cl)cc(Cl)c1 ZINC000224798521 571618185 /nfs/dbraw/zinc/61/81/85/571618185.db2.gz HMPUAKHEEORGKW-UHFFFAOYSA-N 1 0 546.520 5.485 40 0 KKABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2C[NH+]2CCCCC2)c2ccc(Cl)cc2)cc1 ZINC000224811837 571619405 /nfs/dbraw/zinc/61/94/05/571619405.db2.gz PFUIKMWCCCKVJV-UHFFFAOYSA-N 1 0 526.102 5.146 40 0 KKABRO Cc1cccc(N(CC(=O)NCc2ccccc2C[NH+]2CCCCC2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000224821687 571620361 /nfs/dbraw/zinc/62/03/61/571620361.db2.gz JBZJDMAZODYWKN-UHFFFAOYSA-N 1 0 526.102 5.146 40 0 KKABRO Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3ccccc3C[NH+]3CCCCC3)ccc2C)cc1C ZINC000224822502 571620429 /nfs/dbraw/zinc/62/04/29/571620429.db2.gz GAQGTUFZFQGRKL-UHFFFAOYSA-N 1 0 505.684 5.329 40 0 KKABRO COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCc3ccccc3C[NH+]3CCCCC3)Oc3ccc(C(C)(C)C)cc32)cc1 ZINC000224839163 571622219 /nfs/dbraw/zinc/62/22/19/571622219.db2.gz JHJDYULVPKIXFK-HKBQPEDESA-N 1 0 591.774 5.251 40 0 KKABRO CC1CCN(c2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cccn3-c3cc[nH+]cc3)cc2Cl)CC1 ZINC000224980277 571635774 /nfs/dbraw/zinc/63/57/74/571635774.db2.gz WUZHGTUJGOTBDH-VSGBNLITSA-N 1 0 529.113 6.334 40 0 KKABRO COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cc[nH+]cc2)ccc1NC(=O)C(C)(C)C ZINC000225094886 571646760 /nfs/dbraw/zinc/64/67/60/571646760.db2.gz YJCBZDQWIABVMP-UIOOFZCWSA-N 1 0 526.666 5.438 40 0 KKABRO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)c(C)n1CCC[NH+]1CCOCC1 ZINC000225127340 571649973 /nfs/dbraw/zinc/64/99/73/571649973.db2.gz YONARXUQKWZZSB-WDYNHAJCSA-N 1 0 595.213 5.647 40 0 KKABRO CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(CCC[NH+]3CCOCC3)c2C)cc1C ZINC000225154991 571652812 /nfs/dbraw/zinc/65/28/12/571652812.db2.gz QKHGDIJHLTZSRK-XZWHSSHBSA-N 1 0 560.768 5.056 40 0 KKABRO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1CCC[NH+]1CCOCC1 ZINC000225341052 571700042 /nfs/dbraw/zinc/70/00/42/571700042.db2.gz XFKPMSYZLZBUHI-URLMMPGGSA-N 1 0 533.742 5.187 40 0 KKABRO Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCc3ccccc3C[NH+]3CCCCC3)Oc3ccc(C(C)(C)C)cc32)cc1 ZINC000260900063 571820394 /nfs/dbraw/zinc/82/03/94/571820394.db2.gz SBHDZRUICTVGID-WJOKGBTCSA-N 1 0 575.775 5.551 40 0 KKABRO C[C@H]1CCC[N@H+](CCCOc2ccc(NC(=O)C3(c4ccc(Cl)cc4Cl)CCCCC3)cc2)C1 ZINC000225556855 571918809 /nfs/dbraw/zinc/91/88/09/571918809.db2.gz KQODMRVRVHRJIF-NRFANRHFSA-N 1 0 503.514 7.335 40 0 KKABRO C[C@H]1CCCC[N@@H+]1CCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCCC2)cc1 ZINC000225556942 571919221 /nfs/dbraw/zinc/91/92/21/571919221.db2.gz HUPOJHOCJHWBDB-NRFANRHFSA-N 1 0 503.514 7.477 40 0 KKABRO Cc1cc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NCCC[NH+](C)C)n2)ccc1Br ZINC000328968877 572146915 /nfs/dbraw/zinc/14/69/15/572146915.db2.gz DAVSFOZECSYERR-UHFFFAOYSA-N 1 0 524.385 6.220 40 0 KKABRO CC(C)(C)n1ccc([C@H]2C[C@@H](C(=O)Nc3cccc(C(F)(F)F)c3)[NH2+][C@H]2c2ccc(C(F)(F)F)cc2)n1 ZINC000257215138 572307743 /nfs/dbraw/zinc/30/77/43/572307743.db2.gz COWIMGXKSQAGFV-HJNYFJLDSA-N 1 0 524.509 6.501 40 0 KKABRO CC(C)(C)OC(=O)n1cc(-c2ccc(C[NH+]3CCCC3)cc2)c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 ZINC000257221726 572308421 /nfs/dbraw/zinc/30/84/21/572308421.db2.gz DQGXILZLUQGAND-QHCPKHFHSA-N 1 0 510.679 6.044 40 0 KKABRO C[C@H]1CC[C@H]2[C@H](O1)c1cc(OCc3ccccc3)c(CNc3ccc(C[NH+]4CCCCC4)cc3)cc1OC2(C)C ZINC000257229321 572309013 /nfs/dbraw/zinc/30/90/13/572309013.db2.gz FXQAPNQHOMKWAU-ZUBRQOJCSA-N 1 0 540.748 7.891 40 0 KKABRO CC(C)(C)n1ccc([C@@H]2C[C@@H](C(=O)Nc3cccc(OC(F)(F)F)c3)[NH2+][C@H]2c2cccc(C(F)(F)F)c2)n1 ZINC000257255740 572311569 /nfs/dbraw/zinc/31/15/69/572311569.db2.gz KIRIQOHAINROTD-BVSLBCMMSA-N 1 0 540.508 6.381 40 0 KKABRO CC(C)(C)n1ccc([C@@H]2C[C@@H](C(=O)Nc3cccc(OC(F)(F)F)c3)[NH2+][C@H]2c2ccc(Cl)cc2)n1 ZINC000257255414 572311628 /nfs/dbraw/zinc/31/16/28/572311628.db2.gz KHJORSOOGRGGLB-BVSLBCMMSA-N 1 0 506.956 6.016 40 0 KKABRO CC(C)(C)n1ccc([C@H]2C[C@@H](C(=O)Nc3cccc(OC(F)(F)F)c3)[NH2+][C@H]2c2cccc(C(F)(F)F)c2)n1 ZINC000257255741 572311630 /nfs/dbraw/zinc/31/16/30/572311630.db2.gz KIRIQOHAINROTD-HJNYFJLDSA-N 1 0 540.508 6.381 40 0 KKABRO CCCn1cc(C[N@@H+]2CCC[C@](COc3ccc(Cl)c(C)c3)(CC(=O)N(C)Cc3ccccc3)C2)c2ccccc21 ZINC000257263208 572312344 /nfs/dbraw/zinc/31/23/44/572312344.db2.gz LOXDDXOPBOTVLG-DHUJRADRSA-N 1 0 572.193 7.723 40 0 KKABRO Cc1cc(OC[C@@]2(CC(=O)N3CCOCC3)CCC[N@@H+](Cc3cn(C)c4ccccc34)C2)ccc1Cl ZINC000257266005 572312602 /nfs/dbraw/zinc/31/26/02/572312602.db2.gz MBFAYPWGWSMELE-GDLZYMKVSA-N 1 0 510.078 5.050 40 0 KKABRO CC(C)(C)n1ccc([C@@H]2C[C@@H](C(=O)Nc3ccc(OC(F)F)cc3)[NH2+][C@H]2c2cccc(C(F)(F)F)c2)n1 ZINC000257282402 572314023 /nfs/dbraw/zinc/31/40/23/572314023.db2.gz OTPSHFLKUFBHQV-BVSLBCMMSA-N 1 0 522.518 6.084 40 0 KKABRO CCc1cccc2c(C[N@@H+]3CCC[C@](COc4ccc(Cl)c(C)c4)(CC(=O)N4CCOCC4)C3)cn(C)c21 ZINC000257285440 572314517 /nfs/dbraw/zinc/31/45/17/572314517.db2.gz PHCBTNDUZCDGIO-HKBQPEDESA-N 1 0 538.132 5.613 40 0 KKABRO CC(C)Oc1ccc(NC(=O)[C@@H]2C[C@H](c3ccn(C(C)(C)C)n3)[C@H](c3ccc(C(F)(F)F)cc3)[NH2+]2)cc1 ZINC000257287728 572314639 /nfs/dbraw/zinc/31/46/39/572314639.db2.gz PRGLJEADCOAADQ-VJTSUQJLSA-N 1 0 514.592 6.270 40 0 KKABRO CC1CC[NH+](CC(=O)N2CCC[C@@](COc3cccc(Cl)c3)(CC(=O)N(C)Cc3ccccc3)C2)CC1 ZINC000257299729 572315805 /nfs/dbraw/zinc/31/58/05/572315805.db2.gz RRHGZPRPKIXGHK-SSEXGKCCSA-N 1 0 526.121 5.108 40 0 KKABRO CCc1cccc2c(C[N@@H+]3CCC[C@](COc4ccc(Cl)c(C)c4)(CC(=O)N(C)Cc4ccccc4)C3)cn(C)c21 ZINC000257301255 572315907 /nfs/dbraw/zinc/31/59/07/572315907.db2.gz RXRJYZIBNGOWSZ-DHUJRADRSA-N 1 0 572.193 7.412 40 0 KKABRO C[NH2+]CC(=O)N1[C@@H](c2cccc(Cl)c2)[C@@H](c2ccn(C(C)(C)C)n2)C[C@H]1C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000257300301 572315942 /nfs/dbraw/zinc/31/59/42/572315942.db2.gz RTUBSOKYBBVCRI-IECXXKIHSA-N 1 0 552.163 5.022 40 0 KKABRO Cc1cc(OC[C@]2(CC(=O)N(C)Cc3ccccc3)CCC[N@H+](Cc3cccc(OC(F)(F)F)c3)C2)ccc1Cl ZINC000257311161 572317010 /nfs/dbraw/zinc/31/70/10/572317010.db2.gz UIFVIRFGBXIMRY-PMERELPUSA-N 1 0 575.071 7.257 40 0 KKABRO CC(C)(C)n1ccc([C@H]2C[C@@H](C(=O)Nc3cccc(C(F)(F)F)c3)[NH2+][C@H]2c2cccc(C(F)(F)F)c2)n1 ZINC000257318817 572317739 /nfs/dbraw/zinc/31/77/39/572317739.db2.gz VPMXTQQDACSDHJ-HJNYFJLDSA-N 1 0 524.509 6.501 40 0 KKABRO Cc1cc(OC[C@]2(CC(=O)N(C)Cc3ccccc3)CCC[N@H+](Cc3cccc4[nH]ccc43)C2)ccc1Cl ZINC000257322571 572318156 /nfs/dbraw/zinc/31/81/56/572318156.db2.gz WGNGVBOIPSTKJS-YTTGMZPUSA-N 1 0 530.112 6.840 40 0 KKABRO Cc1cc(OC[C@@]2(CC(=O)N(C)Cc3ccccc3)CCC[N@H+](Cc3cnn(C4CCCC4)c3)C2)ccc1Cl ZINC000257326441 572318452 /nfs/dbraw/zinc/31/84/52/572318452.db2.gz WXFSRJRQAPQAOD-JGCGQSQUSA-N 1 0 549.159 6.670 40 0 KKABRO C[NH2+]CC(=O)N1[C@@H](c2cccc(Cl)c2)[C@@H](c2ccn(C(C)(C)C)n2)C[C@H]1C(=O)Nc1cccc(Cl)c1 ZINC000257334392 572319161 /nfs/dbraw/zinc/31/91/61/572319161.db2.gz YFRNHBYDKCRZIM-VTZPFEBOSA-N 1 0 528.484 5.229 40 0 KKABRO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@H+](CCc2c[nH]c3ccccc23)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000257334664 572319261 /nfs/dbraw/zinc/31/92/61/572319261.db2.gz YGWPPDJUXHRZLH-VSGBNLITSA-N 1 0 538.475 5.901 40 0 KKABRO Cc1cnn(C)c1C[N@H+]1CCC[C@](COc2ccc(Cl)c(C)c2)(CC(=O)N(C)Cc2ccccc2)C1 ZINC000257334598 572319271 /nfs/dbraw/zinc/31/92/71/572319271.db2.gz YGQAUGUOOZJWPM-LJAQVGFWSA-N 1 0 509.094 5.400 40 0 KKABRO CC(=O)O[C@H]1CC[C@@]2(C)C(=C[C@@H]([NH2+]C3CCCCC3)[C@@H]3[C@H]4CC[C@@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@H]32)C1 ZINC000257348458 572321289 /nfs/dbraw/zinc/32/12/89/572321289.db2.gz FTLRMZFOMOKYGR-HRTULRLTSA-N 1 0 525.862 8.860 40 0 KKABRO CC(C)NC(=O)C1CCC(n2c3cc(C[NH+]4CCC(C(C)(C)O)CC4)ccc3nc2NC(=O)c2ccc(F)cc2)CC1 ZINC000095550948 1069686453 /nfs/dbraw/zinc/68/64/53/1069686453.db2.gz WSTUJEXAPHIEIM-UHFFFAOYSA-N 1 0 577.745 5.667 40 0 in-vitro KKABRO O=C(CCC(=O)Nc1ccccn1)Nc1ccc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000107572859 1069716004 /nfs/dbraw/zinc/71/60/04/1069716004.db2.gz WRWITCDGYARFQN-UHFFFAOYSA-N 1 0 519.649 5.351 40 0 KKABRO O=C(CCCC(=O)N1CCN(c2ccc(F)cc2)CC1)Nc1ccc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000108900871 1069722653 /nfs/dbraw/zinc/72/26/53/1069722653.db2.gz TWIJCZVWKAIDKS-UHFFFAOYSA-N 1 0 619.785 6.195 40 0 KKABRO COc1ccc(NC(=O)CCCC(=O)Nc2ccc(N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)cc2)cc1 ZINC000110125443 1069842642 /nfs/dbraw/zinc/84/26/42/1069842642.db2.gz GNALYLVTMURBSQ-UHFFFAOYSA-N 1 0 562.714 6.354 40 0 KKABRO COc1ccc(C[N@@H+]2CCC[C@](O)(COc3ccc(Cl)c(Cl)c3)CC2)cc1OCCn1cccn1 ZINC000585270666 1071018174 /nfs/dbraw/zinc/01/81/74/1071018174.db2.gz HWUVWHCMZKOYTH-AREMUKBSSA-N 1 0 520.457 5.074 40 0 KKABRO CCc1nccn1CCCOc1ccc(C[NH+]2CCC(COc3cccc(Cl)c3)(OC)CC2)cc1OC ZINC000585270571 1071018234 /nfs/dbraw/zinc/01/82/34/1071018234.db2.gz FTLUHJUCQJWRTM-UHFFFAOYSA-N 1 0 528.093 5.637 40 0 KKABRO COc1cc(C[N@@H+]2CCC[C@](O)(COc3cc(C)ccc3Cl)CC2)ccc1OCCCn1ccnc1 ZINC000585270114 1071020621 /nfs/dbraw/zinc/02/06/21/1071020621.db2.gz BXPSFOUPCHSBBR-MUUNZHRXSA-N 1 0 514.066 5.119 40 0 KKABRO COc1ccc(C[NH+]2CCC(O)(COc3cc(C)c(Cl)c(C)c3)CC2)cc1OCCCn1ccnc1C ZINC000585272219 1071021004 /nfs/dbraw/zinc/02/10/04/1071021004.db2.gz QYXHKHXYQOMXNF-UHFFFAOYSA-N 1 0 528.093 5.345 40 0 KKABRO CCc1nccn1CCCOc1cccc(C[NH+]2CCC(O)(COc3cc(C)c(Cl)c(C)c3)CC2)c1 ZINC000585271718 1071021657 /nfs/dbraw/zinc/02/16/57/1071021657.db2.gz NHUYHFJRXYOMLN-UHFFFAOYSA-N 1 0 512.094 5.591 40 0 KKABRO COc1ccc(C[N@@H+]2CCC[C@@](O)(COc3ccc(Cl)c(Cl)c3)CC2)cc1OCCn1ccnc1C ZINC000585270103 1071020726 /nfs/dbraw/zinc/02/07/26/1071020726.db2.gz BUTFBEFNHAGAKS-MHZLTWQESA-N 1 0 534.484 5.382 40 0 KKABRO CO[C@]1(COc2ccccc2F)CCC[N@H+](Cc2ccc(OCCn3c4ccccc4n(C)c3=O)cc2)CC1 ZINC000585274719 1071030526 /nfs/dbraw/zinc/03/05/26/1071030526.db2.gz YVXUJRJLBNMCTR-WJOKGBTCSA-N 1 0 533.644 5.008 40 0 KKABRO CO[C@@]1(COc2ccccc2F)CCC[N@H+](Cc2ccc(OCCn3c4ccccc4n(C)c3=O)cc2)CC1 ZINC000585274715 1071030764 /nfs/dbraw/zinc/03/07/64/1071030764.db2.gz YVXUJRJLBNMCTR-HKBQPEDESA-N 1 0 533.644 5.008 40 0 KKABRO CCc1nccn1CCOc1cc(C[N@@H+]2CCC[C@](O)(COc3cc(C)c(Cl)c(C)c3)C2)ccc1OC ZINC000585271901 1071026714 /nfs/dbraw/zinc/02/67/14/1071026714.db2.gz PXDVZIXZKSPNMI-GDLZYMKVSA-N 1 0 528.093 5.209 40 0 KKABRO COc1ccc(C[N@@H+]2CCC[C@](O)(COc3ccc(Cl)c(Cl)c3)CC2)cc1OCCCn1ccnc1C ZINC000585272631 1071027610 /nfs/dbraw/zinc/02/76/10/1071027610.db2.gz UXLSKXHMUDFSAA-MUUNZHRXSA-N 1 0 548.511 5.772 40 0 KKABRO COc1cc(C[NH+]2CCC(COc3ccc(Cl)c(Cl)c3)(OC)CC2)ccc1OCCCn1ccnc1 ZINC000585272623 1071027796 /nfs/dbraw/zinc/02/77/96/1071027796.db2.gz URHZJGCVLXJJCC-UHFFFAOYSA-N 1 0 534.484 5.728 40 0 KKABRO COC1(COc2ccc(Cl)c(Cl)c2)CC[NH+](Cc2cccc(OCCCn3ccnc3C)c2)CC1 ZINC000585273541 1071032938 /nfs/dbraw/zinc/03/29/38/1071032938.db2.gz PHASCTGXNVCFHS-UHFFFAOYSA-N 1 0 518.485 6.027 40 0 KKABRO COC1(COc2ccc(C)cc2C)CC[NH+](Cc2ccc(OCCn3c4ccccc4n(C)c3=O)cc2)CC1 ZINC000585273012 1071032952 /nfs/dbraw/zinc/03/29/52/1071032952.db2.gz MMVNWVDITWZMRS-UHFFFAOYSA-N 1 0 529.681 5.096 40 0 KKABRO COC1(COc2ccc(Cl)c(Cl)c2)CC[NH+](Cc2ccc(OCCCn3ccnc3C)cc2)CC1 ZINC000585273396 1071033657 /nfs/dbraw/zinc/03/36/57/1071033657.db2.gz NLXSKAGOWICYAX-UHFFFAOYSA-N 1 0 518.485 6.027 40 0 KKABRO Cc1nccn1CCOc1cccc(C[N@@H+]2CCC[C@@](O)(COc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000585273450 1071034303 /nfs/dbraw/zinc/03/43/03/1071034303.db2.gz RKYROOTXNXFNTL-SANMLTNESA-N 1 0 504.458 5.373 40 0 KKABRO COc1cc(C[N@@H+]2CCC[C@](O)(COc3ccc(Cl)c(Cl)c3)CC2)ccc1OCCCN1CCCCCC1=O ZINC000585280745 1071035865 /nfs/dbraw/zinc/03/58/65/1071035865.db2.gz SATQSOCIMXNWGM-SSEXGKCCSA-N 1 0 579.565 5.970 40 0 KKABRO Cc1cc(OCC2(O)CC[NH+](Cc3ccc(OCCn4ccnc4C(C)C)cc3)CC2)cc(C)c1Cl ZINC000585280966 1071037013 /nfs/dbraw/zinc/03/70/13/1071037013.db2.gz UNCNSMRUTNBJSX-UHFFFAOYSA-N 1 0 512.094 5.762 40 0 KKABRO COC1(COc2ccc(Cl)c(Cl)c2)CC[NH+](Cc2ccc(OCCCn3cc(C)ccc3=O)cc2)CC1 ZINC000585281046 1071037130 /nfs/dbraw/zinc/03/71/30/1071037130.db2.gz VRKASTMPTYLEJG-UHFFFAOYSA-N 1 0 545.507 5.993 40 0 KKABRO COc1cc(C[N@@H+]2CCC[C@](O)(COc3ccc(Cl)c(Cl)c3)CC2)ccc1OCCCN1CCCC1=O ZINC000585281727 1071037177 /nfs/dbraw/zinc/03/71/77/1071037177.db2.gz QIRHLRBNSOTZPD-MUUNZHRXSA-N 1 0 551.511 5.189 40 0 KKABRO Cc1cc(OC[C@]2(O)CCC[N@@H+](Cc3ccc(OCCn4ccnc4C(C)C)cc3)C2)cc(C)c1Cl ZINC000585279659 1071037656 /nfs/dbraw/zinc/03/76/56/1071037656.db2.gz FKNNRVHCKKDXHG-LJAQVGFWSA-N 1 0 512.094 5.762 40 0 KKABRO COc1cc(C[N@@H+]2CCC[C@@](O)(COc3ccc(Cl)c(Cl)c3)CC2)ccc1OCCCN1CCCC1=O ZINC000585281728 1071037708 /nfs/dbraw/zinc/03/77/08/1071037708.db2.gz QIRHLRBNSOTZPD-NDEPHWFRSA-N 1 0 551.511 5.189 40 0 KKABRO COc1ccc(C[NH+]2CCC(Nc3ncnc4sc5c(c43)CC(C)(C)OC5)CC2)cc1Cc1c(C)noc1C ZINC000585293489 1071041749 /nfs/dbraw/zinc/04/17/49/1071041749.db2.gz YEJOYIYOFVZTGR-UHFFFAOYSA-N 1 0 547.725 5.823 40 0 KKABRO CC(C)[C@@H]1C[C@H](c2ccccc2F)CO[C@H]1c1cccc(OCC(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000585292438 1071044915 /nfs/dbraw/zinc/04/49/15/1071044915.db2.gz MHNGYBGJAMAQKA-IHZCURHOSA-N 1 0 544.711 7.347 40 0 KKABRO O=C(NCCSCc1ccc(Cl)c(Cl)c1)c1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000408925310 1071077907 /nfs/dbraw/zinc/07/79/07/1071077907.db2.gz MDYGRHUFTSUSDO-UHFFFAOYSA-N 1 0 528.549 5.974 40 0 KKABRO O=C(NCCSCc1ccc(Cl)cc1Cl)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000408924400 1071083340 /nfs/dbraw/zinc/08/33/40/1071083340.db2.gz IDMXWMMFLSPSKH-UHFFFAOYSA-N 1 0 527.561 7.111 40 0 KKABRO O=C(Nc1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1)c1ccc(C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000408921830 1071093319 /nfs/dbraw/zinc/09/33/19/1071093319.db2.gz YCMQHHFBCWEZQO-UHFFFAOYSA-N 1 0 576.722 6.215 40 0 KKABRO Cc1ccc(C(=O)NC[C@H]2C[C@@H]3CC[N@@H+]2C[C@@H]3c2cc(-c3ccccc3Br)nc(C)n2)cc1 ZINC000008623138 1071158600 /nfs/dbraw/zinc/15/86/00/1071158600.db2.gz IULNSGSCPKIORH-XJUOHMSHSA-N 1 0 505.460 5.131 40 0 biogenic,in-vitro KKABRO Cc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc(OC(C)C)cc3)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000102370305 1071307159 /nfs/dbraw/zinc/30/71/59/1071307159.db2.gz YUSWANZJNLVLKL-CYPQMOBWSA-N 1 0 568.673 6.764 40 0 KKABRO CC(=O)Oc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc(OC(C)C)cc3)[C@@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN23)cc1 ZINC000102370228 1071307373 /nfs/dbraw/zinc/30/73/73/1071307373.db2.gz LIMKTMNBTIRLMK-HDHDNLQWSA-N 1 0 612.682 6.381 40 0 KKABRO CC(C)Oc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3cccs3)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000102370283 1071307437 /nfs/dbraw/zinc/30/74/37/1071307437.db2.gz JZSUNOCFUSEVEY-GGVMLGSCSA-N 1 0 560.675 6.517 40 0 KKABRO O=C(Nc1ccc(Cl)cc1)[C@H]1[C@@H](C(=O)c2ccc(Br)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2c3ccccc3C=CN12 ZINC000150510309 1071327859 /nfs/dbraw/zinc/32/78/59/1071327859.db2.gz PNUXIBNCEKCHLP-CRGGLILNSA-N 1 0 624.922 6.840 40 0 KKABRO CCOc1cc(C[N@@H+]2CC[C@H]3CC(=O)N(CC4CCC(F)(F)CC4)C[C@H](O)C(C)(C)COCCC[C@H]3C2)ccc1O ZINC001534613794 1073173200 /nfs/dbraw/zinc/17/32/00/1073173200.db2.gz YLYMTRXIRPJORK-ZEZDXWPOSA-N 1 0 580.757 5.471 40 0 KKABRO COc1cc([C@H](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc(OC)c1OC ZINC001547138551 1073179112 /nfs/dbraw/zinc/17/91/12/1073179112.db2.gz CJVAMYXXWSINCZ-YYXXCONNSA-N 1 0 702.845 6.547 40 0 KKABRO COc1cc([C@@H](CC(=O)NC[C@@H](c2cc(OC)c(OC)c(OC)c2)[NH+](C)C)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc(OC)c1OC ZINC001547139117 1073184246 /nfs/dbraw/zinc/18/42/46/1073184246.db2.gz JWJFXGGPASITAC-RVQNBHMFSA-N 1 0 792.923 6.572 40 0 KKABRO COc1ccc([C@@H](CC(=O)N[C@@H]2C[NH+]3CCC2CC3)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc1 ZINC001547208925 1073192234 /nfs/dbraw/zinc/19/22/34/1073192234.db2.gz JOUKIHLICWFCAO-UNUDWIFVSA-N 1 0 604.744 5.321 40 0 KKABRO CCC1=C[C@H]2CC(C1)CCc1c3ccccc3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@@H]1[C@]34CC[N@@H+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)C2 ZINC001560411805 1073196629 /nfs/dbraw/zinc/19/66/29/1073196629.db2.gz AUJRHPJZPBMULP-CWKXOIMDSA-N 1 0 790.978 6.239 40 0 KKABRO O=C(NC1CCCCC1)[C@H](c1c[nH]c2ccccc21)N(Cc1ccccc1)C(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC000000898070 551564360 /nfs/dbraw/zinc/56/43/60/551564360.db2.gz NBAZYKCFZSGHPX-YTTGMZPUSA-N 1 0 552.719 6.579 40 0 KKABRO Cc1c(Br)cc2c(c1Br)OC[C@@](C[NH+]1CCCCC1)(Sc1ccccc1)C2=O ZINC000001102008 551608864 /nfs/dbraw/zinc/60/88/64/551608864.db2.gz OKIJIRRZZQYPSI-JOCHJYFZSA-N 1 0 525.306 6.112 40 0 KKABRO CCC[C@H](c1nnnn1Cc1ccc(F)cc1)N(Cc1cccs1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001335482 551645331 /nfs/dbraw/zinc/64/53/31/551645331.db2.gz QMSFABHADTVFRB-AREMUKBSSA-N 1 0 532.645 5.316 40 0 KKABRO CC[C@H](c1nnnn1Cc1ccc(F)cc1)N(Cc1ccc(F)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374512 551654094 /nfs/dbraw/zinc/65/40/94/551654094.db2.gz UIMBPAVFLYJKMA-HHHXNRCGSA-N 1 0 530.579 5.003 40 0 KKABRO CC[C@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1cc2ccc(OC)cc2[nH]c1=O)C1CCCCC1 ZINC000001374787 551654912 /nfs/dbraw/zinc/65/49/12/551654912.db2.gz HNVBAKZKCDHRNE-HHHXNRCGSA-N 1 0 500.647 5.052 40 0 KKABRO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)N(Cc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000001375279 551656560 /nfs/dbraw/zinc/65/65/60/551656560.db2.gz KKOFBQROFRHZSW-GDLZYMKVSA-N 1 0 522.653 5.342 40 0 KKABRO CC[C@H](c1nnnn1Cc1ccc(F)cc1)N(Cc1cccs1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000001375491 551657231 /nfs/dbraw/zinc/65/72/31/551657231.db2.gz IFSFVSQZIGYMAI-RUZDIDTESA-N 1 0 516.646 5.534 40 0 KKABRO CC[C@H](c1nnnn1CCc1ccccc1)N(Cc1cccs1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000001375534 551657299 /nfs/dbraw/zinc/65/72/99/551657299.db2.gz NYEZDWJVQALFNP-AREMUKBSSA-N 1 0 512.683 5.589 40 0 KKABRO CC[C@@H](c1nnnn1CCc1ccccc1)N(Cc1cccs1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000001375533 551657358 /nfs/dbraw/zinc/65/73/58/551657358.db2.gz NYEZDWJVQALFNP-SANMLTNESA-N 1 0 512.683 5.589 40 0 KKABRO Cc1sc(NC(=O)c2ccco2)c([C@@H](c2ccc(F)cc2)[NH+]2CCC(Cc3ccccc3)CC2)c1C ZINC000002667944 552152003 /nfs/dbraw/zinc/15/20/03/552152003.db2.gz LHVRWWPMNAHEDT-MUUNZHRXSA-N 1 0 502.655 7.393 40 0 KKABRO Cc1sc(NC(=O)c2ccco2)c([C@H](c2ccc(F)cc2)[NH+]2CCC(Cc3ccccc3)CC2)c1C ZINC000002667945 552152017 /nfs/dbraw/zinc/15/20/17/552152017.db2.gz LHVRWWPMNAHEDT-NDEPHWFRSA-N 1 0 502.655 7.393 40 0 KKABRO COc1cc2ccc(=O)oc2cc1OCCC[NH+]1CCC(C(O)(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000003944646 552423408 /nfs/dbraw/zinc/42/34/08/552423408.db2.gz JRXHLMMVJSXXHZ-UHFFFAOYSA-N 1 0 535.587 5.497 40 0 investigational KKABRO COc1nc2ccc(Br)cc2cc1[C@H](c1ccccc1)[C@](O)(CC[NH+](C)C)c1cccc2ccccc21 ZINC000004655028 552471351 /nfs/dbraw/zinc/47/13/51/552471351.db2.gz QUIJNHUBAXPXFS-CDZUIXILSA-N 1 0 555.516 7.131 40 0 KKABRO CC(C)(C)OC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]([NH3+])CSC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000005119222 552494070 /nfs/dbraw/zinc/49/40/70/552494070.db2.gz OXDYVXYZOPLSHL-AJQTZOPKSA-N 1 0 623.819 5.224 40 0 KKABRO CC[N@@H+]1CC[C@@](O)(c2ccc(Oc3ccc(Cl)cc3)cc2)[C@H](C(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)C1 ZINC000005823028 552510373 /nfs/dbraw/zinc/51/03/73/552510373.db2.gz TWCUJNADBYEKEV-XDFJSJKPSA-N 1 0 562.493 7.990 40 0 KKABRO CC[NH+](CC)CCN(C(=O)c1ccc(-c2ccccc2)[nH]1)[C@@H](C(=O)NC1CCCCC1)c1ccncc1 ZINC000006078401 552529876 /nfs/dbraw/zinc/52/98/76/552529876.db2.gz ONRXSZRRTCLZDN-MUUNZHRXSA-N 1 0 501.675 5.051 40 0 KKABRO C[NH+]1CCN(c2ccccc2NC(=S)NC(=O)C=Cc2ccc(-c3cc(Cl)cc(Cl)c3)o2)CC1 ZINC000008833315 553160041 /nfs/dbraw/zinc/16/00/41/553160041.db2.gz IQKZKWZITVLMRU-VQHVLOKHSA-N 1 0 515.466 5.532 40 0 KKABRO Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)C3CC[NH+](Cc4cccc(Cl)c4)CC3)cc2)c1 ZINC000009063326 553205274 /nfs/dbraw/zinc/20/52/74/553205274.db2.gz KXVCBKQSSIAFKL-UHFFFAOYSA-N 1 0 512.075 5.608 40 0 KKABRO COc1cc(C[N@@H+]2CCC[C@H](C(=O)N3CCC(Cc4ccccc4)CC3)C2)ccc1OCc1ccccc1 ZINC000009933455 553317127 /nfs/dbraw/zinc/31/71/27/553317127.db2.gz BOBJCZAECZTXTK-PMERELPUSA-N 1 0 512.694 5.968 40 0 KKABRO Cc1ccc(OC[C@@H](O)C[NH+]2CCC(CN3C(=O)c4cccc5cccc(c54)C3=O)CC2)c(C(C)(C)C)c1 ZINC000012170592 553353216 /nfs/dbraw/zinc/35/32/16/553353216.db2.gz XZENEPDFVQWIQZ-DEOSSOPVSA-N 1 0 514.666 5.194 40 0 KKABRO CCc1cc([C@@H](c2ccc(OC)cc2)[NH+]2CCC(Cc3ccccc3)CC2)c(NC(=O)c2ccccc2)s1 ZINC000012290098 553356719 /nfs/dbraw/zinc/35/67/19/553356719.db2.gz NBMMNRFKCBMDPE-WJOKGBTCSA-N 1 0 524.730 7.616 40 0 KKABRO O=C(NC1CCCCC1)[C@H](c1ccc(F)cc1)N(Cc1ccccc1)C(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC000012705332 553415644 /nfs/dbraw/zinc/41/56/44/553415644.db2.gz QXULYRSLZAVJNK-PMERELPUSA-N 1 0 531.672 6.237 40 0 KKABRO CCc1ccc2[nH]c(=O)c(C[N@@H+]([C@H](CC)c3nnnn3Cc3ccc(OC)cc3)C3CCCCC3)cc2c1 ZINC000013063705 553443647 /nfs/dbraw/zinc/44/36/47/553443647.db2.gz AWRUFTNWUDGNKJ-MUUNZHRXSA-N 1 0 514.674 5.420 40 0 KKABRO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1cc2ccc(C)c(C)c2[nH]c1=O)C1CCCCC1 ZINC000013065081 553444659 /nfs/dbraw/zinc/44/46/59/553444659.db2.gz YZAUBFJXFUWSIZ-MHZLTWQESA-N 1 0 514.674 5.474 40 0 KKABRO CCC(C)(C)n1nnnc1[C@H](C(C)C)N(Cc1ccc(C)cc1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000013498829 553464957 /nfs/dbraw/zinc/46/49/57/553464957.db2.gz UHZLRJCQWACWQP-MHZLTWQESA-N 1 0 532.689 5.385 40 0 KKABRO CCC[C@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)C1CCCC1 ZINC000013499425 553465719 /nfs/dbraw/zinc/46/57/19/553465719.db2.gz YAZVBPWLNYFACA-AREMUKBSSA-N 1 0 530.673 5.061 40 0 KKABRO CCOC(=O)C1CC[NH+]([C@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)c2ccc(OCC)cc2)CC1 ZINC000015441061 553533342 /nfs/dbraw/zinc/53/33/42/553533342.db2.gz ALFZDKGXOQKKCE-MHZLTWQESA-N 1 0 520.695 6.380 40 0 KKABRO NS(=O)(=O)c1ccc(CC[NH2+]Cc2c(OCc3ccc(Cl)cc3Cl)ccc3ccccc32)cc1 ZINC000016525948 553567211 /nfs/dbraw/zinc/56/72/11/553567211.db2.gz JHRPYCJZYFNMIJ-UHFFFAOYSA-N 1 0 515.462 5.705 40 0 KKABRO COc1cc(C[NH2+][C@@H](C)C23CC4CC(CC(C4)C2)C3)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000016576121 553568466 /nfs/dbraw/zinc/56/84/66/553568466.db2.gz TWPKCBDWYTVZFG-SNWHFVAUSA-N 1 0 518.923 7.385 40 0 KKABRO CCOc1cc(C[NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000016688563 553573066 /nfs/dbraw/zinc/57/30/66/553573066.db2.gz RZQLDXBQOJMTGF-PFLDBYBHSA-N 1 0 522.944 8.463 40 0 KKABRO CCOc1cc(C[NH2+][C@H](C)C23CC4CC(CC(C4)C2)C3)cc(Br)c1OCc1ccc(F)cc1 ZINC000016688479 553573077 /nfs/dbraw/zinc/57/30/77/553573077.db2.gz NQEJQPVOURPAGM-KVLZVTGASA-N 1 0 516.495 7.260 40 0 KKABRO CCOc1cc(C[NH2+][C@@H](C)C23CC4CC(CC(C4)C2)C3)cc(Br)c1OCc1ccc(F)cc1 ZINC000016688478 553573108 /nfs/dbraw/zinc/57/31/08/553573108.db2.gz NQEJQPVOURPAGM-VZQOBPCUSA-N 1 0 516.495 7.260 40 0 KKABRO CCOc1cc(C[NH2+]Cc2cccs2)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000016688557 553573115 /nfs/dbraw/zinc/57/31/15/553573115.db2.gz NZZDRLFPCHEYLW-UHFFFAOYSA-N 1 0 501.273 7.085 40 0 KKABRO CCOc1cc(C[NH2+][C@@H](C)C23CC4CC(CC(C4)C2)C3)cc(Br)c1OCc1ccccc1Cl ZINC000016688645 553573217 /nfs/dbraw/zinc/57/32/17/553573217.db2.gz DPOPENUBBDOCER-CBKZDSQWSA-N 1 0 532.950 7.775 40 0 KKABRO CCOc1cc(C[NH2+]CCSc2nnnn2C)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000016688577 553573233 /nfs/dbraw/zinc/57/32/33/553573233.db2.gz JECYOXHWXZLSNP-UHFFFAOYSA-N 1 0 502.855 5.030 40 0 KKABRO CCOc1cc(C[NH2+]CCc2ccc(OC)cc2)cc(Br)c1OCc1ccccc1Cl ZINC000016688669 553573267 /nfs/dbraw/zinc/57/32/67/553573267.db2.gz QVNLXFJMXOJJMZ-UHFFFAOYSA-N 1 0 504.852 6.421 40 0 KKABRO COc1cc(OC)c(/C=C/c2cc(/C=C/c3c(OC)cc(OC)cc3OC)[n+](C)c3ccccc23)c(OC)c1 ZINC000017045969 553587354 /nfs/dbraw/zinc/58/73/54/553587354.db2.gz VTFLLPQVYRMIBD-QUMQEAAQSA-N 1 0 528.625 6.057 40 0 KKABRO C[C@H]1CCC=C2C[C@H]3OC(=O)[C@@H](C[NH+]4CCN([C@@H](c5ccccc5)c5ccc(Cl)cc5)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000070681037 553604907 /nfs/dbraw/zinc/60/49/07/553604907.db2.gz FGXQERORDNVKRX-UAUPQFMGSA-N 1 0 535.128 5.332 40 0 KKABRO CC[NH+](CC)C[C@]1(Sc2ccc(C)cc2)COc2c(Br)cc(Br)cc2C1=O ZINC000019596478 553614996 /nfs/dbraw/zinc/61/49/96/553614996.db2.gz OXMXXJGBGHIMSU-NRFANRHFSA-N 1 0 513.295 5.968 40 0 KKABRO C[C@@H](c1ccccc1)N1CC2(c3ccccc3)C[NH+]([C@@H](C)c3ccccc3)CC(c3ccccc3)(C1)C2=O ZINC000020470337 553657365 /nfs/dbraw/zinc/65/73/65/553657365.db2.gz NVASJRNOJGGMOU-HAMZEZSKSA-N 1 0 500.686 6.585 40 0 KKABRO CC[C@@H]1C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C ZINC000095547998 553703644 /nfs/dbraw/zinc/70/36/44/553703644.db2.gz DUEWLUKXNJMYIL-CPWXYFGBSA-N 1 0 766.980 7.800 40 0 KKABRO Cn1nnnc1SCCC[NH2+]Cc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl ZINC000022109238 553726385 /nfs/dbraw/zinc/72/63/85/553726385.db2.gz SJPHJMOYEMIXRO-UHFFFAOYSA-N 1 0 517.280 5.130 40 0 KKABRO COc1cc(C[NH2+]CCCSc2nnnn2-c2ccccc2)cc(Cl)c1OCc1ccccc1F ZINC000022108969 553726520 /nfs/dbraw/zinc/72/65/20/553726520.db2.gz OQZSJHGCWAXXIA-UHFFFAOYSA-N 1 0 514.026 5.314 40 0 KKABRO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)cc2c1 ZINC000022866332 553763467 /nfs/dbraw/zinc/76/34/67/553763467.db2.gz QULNSFOTSYTELM-MGBGTMOVSA-N 1 0 589.744 5.525 40 0 KKABRO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)cc2c1 ZINC000022866371 553763665 /nfs/dbraw/zinc/76/36/65/553763665.db2.gz WNZXTJYZKCQEOB-PGUFJCEWSA-N 1 0 611.750 5.458 40 0 KKABRO COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)cc2c1 ZINC000022869261 553764420 /nfs/dbraw/zinc/76/44/20/553764420.db2.gz OSGMYRCSWFOIEI-XIFFEERXSA-N 1 0 589.744 5.525 40 0 KKABRO Cc1ccc2cc([C@@H](c3nnnn3C3CCCC3)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c(=O)[nH]c2c1C ZINC000022872700 553765855 /nfs/dbraw/zinc/76/58/55/553765855.db2.gz GTJNTBFHUNTRRR-XIFFEERXSA-N 1 0 573.745 5.743 40 0 KKABRO COc1cc2c3c(c1O)-c1cc(OC)c(Oc4c(C[C@H]5c6cc(OC)c(OC)cc6CC[N@H+]5C)ccc(OC)c4OC)cc1C[C@@H]3CN(C)C2 ZINC000033354438 553929723 /nfs/dbraw/zinc/92/97/23/553929723.db2.gz GBCVQFRXHFMNCA-IRPSRAIASA-N 1 0 682.814 6.760 40 0 KKABRO CSCC[C@H]1[NH2+][C@@]2(c3ccccc3N(Cc3ccccc3)C2=O)[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]12 ZINC000098005850 554059268 /nfs/dbraw/zinc/05/92/68/554059268.db2.gz XISMLAMAWBDSCB-PBSCWAGCSA-N 1 0 547.680 5.113 40 0 KKABRO CC(C)C[C@H]1[NH2+][C@@]2(c3ccccc3N(Cc3ccc(Cl)c(Cl)c3)C2=O)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]12 ZINC000098007324 554063578 /nfs/dbraw/zinc/06/35/78/554063578.db2.gz SXAGVEHGYUSQRE-IUZLCTNASA-N 1 0 562.497 5.555 40 0 KKABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCC(C)CC2)c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000100078274 554205529 /nfs/dbraw/zinc/20/55/29/554205529.db2.gz UISAQHAGCQWHSH-UHFFFAOYSA-N 1 0 546.055 5.101 40 0 KKABRO COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3c(cc(OC)c4c3Oc3cc5c(cc3O4)CC[NH2+][C@@H]5C2)CCN1C ZINC000038148013 554270574 /nfs/dbraw/zinc/27/05/74/554270574.db2.gz DJAWTLHBPPQMPV-KAYWLYCHSA-N 1 0 562.666 6.909 40 0 in-vitro KKABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4cccc5ccccc54)cc3)cc2)C1 ZINC000038754980 554276298 /nfs/dbraw/zinc/27/62/98/554276298.db2.gz VYZAEODIDVYFKT-QFIPXVFZSA-N 1 0 513.663 6.125 40 0 KKABRO CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)C3CC[NH+](Cc4cccc(Cl)c4)CC3)cc2)cc1 ZINC000039750961 554280004 /nfs/dbraw/zinc/28/00/04/554280004.db2.gz CJDQEXKIXIZIDT-UHFFFAOYSA-N 1 0 528.074 5.390 40 0 KKABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c2cccc(Cl)c2C)cc1 ZINC000044857280 554305776 /nfs/dbraw/zinc/30/57/76/554305776.db2.gz CRVQLUPNTOPZGY-UHFFFAOYSA-N 1 0 526.102 5.064 40 0 KKABRO CC(C)c1ccc(N(CC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000044873507 554306488 /nfs/dbraw/zinc/30/64/88/554306488.db2.gz WRUDUNDELHKANC-UHFFFAOYSA-N 1 0 519.711 5.308 40 0 KKABRO Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)NCc3ccc(C[NH+]4CCCCC4)cc3)c2)cc1 ZINC000044875242 554307253 /nfs/dbraw/zinc/30/72/53/554307253.db2.gz WZQVDJCLTFPERF-UHFFFAOYSA-N 1 0 512.075 5.365 40 0 KKABRO O=C(NC1CCCCC1)[C@@H](c1c[nH]c2ccccc21)N(Cc1ccccc1)C(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC000100330464 554312915 /nfs/dbraw/zinc/31/29/15/554312915.db2.gz NBAZYKCFZSGHPX-JGCGQSQUSA-N 1 0 552.719 6.579 40 0 KKABRO COc1ccccc1OCC[N@@H+](Cc1ccccc1)C[C@@H](O)COc1cccc2[nH]c3c(c21)CCCC3 ZINC000065734787 554527347 /nfs/dbraw/zinc/52/73/47/554527347.db2.gz OKDXKHYNAUXFOB-XMMPIXPASA-N 1 0 500.639 5.376 40 0 in-vitro KKABRO OCC(CO)[NH2+][C@H]1C[C@@](O)(CCc2ccccc2)[C@@H](Cc2ccccc2)[C@@H](Cc2ccccc2)[C@@H]1Cc1ccccc1 ZINC000067665444 554533643 /nfs/dbraw/zinc/53/36/43/554533643.db2.gz FUJYFVMTHDIVAX-LQWITFIISA-N 1 0 563.782 5.642 40 0 in-vitro KKABRO O=C1c2cc(Br)cc(Br)c2OC[C@@]1(Cc1ccc(Cl)cc1)C[NH+]1CCCCC1 ZINC000100959217 554541958 /nfs/dbraw/zinc/54/19/58/554541958.db2.gz PZABGFTXXLORKT-JOCHJYFZSA-N 1 0 527.684 6.155 40 0 KKABRO Cc1c(Br)cc2c(c1Br)OC[C@](C[NH+]1CCCCC1)(Sc1ccc(Cl)cc1)C2=O ZINC000100972305 554544457 /nfs/dbraw/zinc/54/44/57/554544457.db2.gz FGOJFHNLMHOSRD-QFIPXVFZSA-N 1 0 559.751 6.766 40 0 KKABRO Brc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000100994469 554550526 /nfs/dbraw/zinc/55/05/26/554550526.db2.gz GYSRXWCNAZSVLD-UHFFFAOYSA-N 1 0 600.564 7.762 40 0 KKABRO CCOc1cc(C[NH2+]CCCSc2nnnn2-c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000102558659 554965890 /nfs/dbraw/zinc/96/58/90/554965890.db2.gz GUFDKKBABCROMS-UHFFFAOYSA-N 1 0 578.953 6.872 40 0 KKABRO Clc1ccc(COc2ccc(Br)cc2C[NH2+]CCCSc2nnnn2-c2ccccc2)cc1 ZINC000102558731 554966222 /nfs/dbraw/zinc/96/62/22/554966222.db2.gz LXRYZEWUOXBCTL-UHFFFAOYSA-N 1 0 544.906 5.929 40 0 KKABRO CCOc1cc(C[NH2+]CCSc2nnnn2-c2ccccc2)cc(Cl)c1OCc1ccccc1Cl ZINC000102559308 554966541 /nfs/dbraw/zinc/96/65/41/554966541.db2.gz PVTWYMCIECHCSS-UHFFFAOYSA-N 1 0 530.481 5.829 40 0 KKABRO Cc1cccc2c1NC(=O)[C@]21[N@@H+]2CCC[C@@H]2[C@H](C(=O)c2ccc3ccccc3c2)[C@]12c1ccccc1NC2=O ZINC000102769079 555056624 /nfs/dbraw/zinc/05/66/24/555056624.db2.gz HTVNOZMEKLYJJG-KSERSOJGSA-N 1 0 513.597 5.163 40 0 KKABRO CCc1cccc2c1NC(=O)[C@]21[N@@H+]2CCC[C@@H]2[C@H](C(=O)c2ccc3ccccc3c2)[C@@]12c1ccccc1NC2=O ZINC000102773696 555062117 /nfs/dbraw/zinc/06/21/17/555062117.db2.gz QYQDPBFSISDNBS-GDTAYWNCSA-N 1 0 527.624 5.417 40 0 KKABRO O=C(c1ccc(Cl)cc1Cl)[C@H]1[C@@H]2CCCN2[C@]2(C(=O)Nc3ccc(Cl)cc32)[C@]12C(=O)Nc1ccccc12 ZINC000103532812 555433246 /nfs/dbraw/zinc/43/32/46/555433246.db2.gz VUXCVIFVOBXIQC-FDOTVTPFSA-N 1 0 552.845 5.661 40 0 KKABRO CCOc1ccccc1C(=O)[C@H]1[C@@H](C(=O)c2ccc(Cl)cc2Cl)N2C=Cc3ccccc3[C@@H]2[C@]12C(=O)Nc1ccccc12 ZINC000103535314 555435089 /nfs/dbraw/zinc/43/50/89/555435089.db2.gz ALXHJQCNRVTVDH-ACZXLBTNSA-N 1 0 609.509 7.374 40 0 KKABRO COc1cc(C(O)=C2[C@H](C(=O)C(C)(C)C)N3C=Cc4ccccc4[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc(OC)c1OC ZINC000104141701 571374726 /nfs/dbraw/zinc/37/47/26/571374726.db2.gz IPGGCZWBQGQORS-RRKUJKDYSA-N 1 0 566.654 5.426 40 0 KKABRO COc1cc(C(O)=C2[C@@H](C(=O)C(C)(C)C)N3C=Cc4ccccc4[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc(OC)c1OC ZINC000104141697 571374741 /nfs/dbraw/zinc/37/47/41/571374741.db2.gz IPGGCZWBQGQORS-OVDCWBHGSA-N 1 0 566.654 5.426 40 0 KKABRO COc1cc(C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000105251497 571392376 /nfs/dbraw/zinc/39/23/76/571392376.db2.gz HEUHXSUCJDMUAO-UHFFFAOYSA-N 1 0 574.324 5.323 40 0 KKABRO O=C(NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1ccc(-c2cccc(Cl)c2)o1 ZINC000105318409 571400796 /nfs/dbraw/zinc/40/07/96/571400796.db2.gz SSIZSUJGVYYDOX-UHFFFAOYSA-N 1 0 531.081 6.049 40 0 KKABRO c1ccc(C[n+]2c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)cc1 ZINC000106870464 571418404 /nfs/dbraw/zinc/41/84/04/571418404.db2.gz SHFBCZIIUYCYCX-UHFFFAOYSA-N 1 0 550.725 10.357 40 0 KKABRO O=C(Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000108577956 571426303 /nfs/dbraw/zinc/42/63/03/571426303.db2.gz LLQMDNYPRATXLQ-UHFFFAOYSA-N 1 0 552.018 6.010 40 0 KKABRO CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(=O)CC[NH+]5CCCCC5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118922034 571446671 /nfs/dbraw/zinc/44/66/71/571446671.db2.gz UVVRCAOQNORAME-WSDAYXGUSA-N 1 0 525.862 8.816 40 0 KKABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c2cccc(C(F)(F)F)c2)cc1 ZINC000139850880 571453943 /nfs/dbraw/zinc/45/39/43/571453943.db2.gz GAARHVYAQHQNNR-UHFFFAOYSA-N 1 0 545.627 5.121 40 0 KKABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c2cccc(C(F)(F)F)c2)cc1 ZINC000139871708 571454057 /nfs/dbraw/zinc/45/40/57/571454057.db2.gz ACJGNWBQTGFDRY-UHFFFAOYSA-N 1 0 559.654 5.511 40 0 KKABRO Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000139854672 571454076 /nfs/dbraw/zinc/45/40/76/571454076.db2.gz SQHOFRUZXPQZKD-UHFFFAOYSA-N 1 0 588.173 6.570 40 0 KKABRO O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000139870749 571454083 /nfs/dbraw/zinc/45/40/83/571454083.db2.gz OJGAOAYQADGKTJ-UHFFFAOYSA-N 1 0 546.520 5.491 40 0 KKABRO Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000139876764 571454159 /nfs/dbraw/zinc/45/41/59/571454159.db2.gz BFDCKVOLTPPZGJ-UHFFFAOYSA-N 1 0 567.755 6.306 40 0 KKABRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000139883282 571454184 /nfs/dbraw/zinc/45/41/84/571454184.db2.gz IIVGKMLDOPJBFL-SSEXGKCCSA-N 1 0 534.125 6.030 40 0 KKABRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc([C@@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000139883420 571454243 /nfs/dbraw/zinc/45/42/43/571454243.db2.gz IIVGKMLDOPJBFL-PMERELPUSA-N 1 0 534.125 6.030 40 0 KKABRO C[NH+](C)CC[C@](O)(c1cccc2ccccc21)[C@@H](c1ccccc1)c1cnc2ccc(Br)cc2c1 ZINC000144782907 571456530 /nfs/dbraw/zinc/45/65/30/571456530.db2.gz CAZMLEZKNNXBTD-CONSDPRKSA-N 1 0 525.490 7.122 40 0 KKABRO CCOC(=O)CC[C@H](NC(=O)[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)OCC ZINC000150382593 571467293 /nfs/dbraw/zinc/46/72/93/571467293.db2.gz HXQMEXBMQABZTD-YWPUXERESA-N 1 0 791.026 9.053 40 0 KKABRO COC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000150382717 571467350 /nfs/dbraw/zinc/46/73/50/571467350.db2.gz RCLCCSBHNWZHCK-JCGOJSMZSA-N 1 0 732.990 9.366 40 0 KKABRO CCOC(=O)[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)[C@H]([NH3+])CSC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000150383493 571467860 /nfs/dbraw/zinc/46/78/60/571467860.db2.gz XWNRMXHHRSBHSW-NCRNUEESSA-N 1 0 737.003 8.812 40 0 KKABRO COc1cc2c(cc1OC)[C@@H]([C@@H]1c3cc(OC)c(OC)cc3-c3c(OC)c(OC)cc4c3[C@@H]1[N@H+](C)CC4)[C@@H]1c3c(cc(OC)c(OC)c3-2)CC[NH+]1C ZINC000150389965 571472158 /nfs/dbraw/zinc/47/21/58/571472158.db2.gz BQVQGVWTYOJORC-KEAHXZLPSA-N 1 0 708.852 7.042 40 0 KKABRO COc1ccc([C@H]2CC(c3ccc(C4=NN(c5ccccc5)[C@H](c5ccc(OC)cc5OC)C4)cc3)=[NH+]N2c2ccccc2)c(OC)c1 ZINC000150390189 571472516 /nfs/dbraw/zinc/47/25/16/571472516.db2.gz RPWSPHJGEIPCPL-MAZIBIHTSA-N 1 0 638.768 8.432 40 0 KKABRO C[NH+]1CCN(CCCN2c3ccccc3Sc3cc(N4c5ccccc5Sc5ccc(C(F)(F)F)cc54)c(C(F)(F)F)cc32)CC1 ZINC000150391514 571473872 /nfs/dbraw/zinc/47/38/72/571473872.db2.gz PLSRCUCTESTAPG-UHFFFAOYSA-N 1 0 672.764 9.899 40 0 KKABRO COc1ccc(OC)c2c(Cl)cc(NCCCN3CC[NH+](CCCNc4cc(Cl)c5c(OC)ccc(OC)c5n4)CC3)nc12 ZINC000150403673 571478861 /nfs/dbraw/zinc/47/88/61/571478861.db2.gz DICWRTXSDCZGFU-UHFFFAOYSA-N 1 0 643.616 6.046 40 0 KKABRO C[C@@H]1C[C@@H](C)CN(c2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cccn3-c3cc[nH+]cc3)cc2Cl)C1 ZINC000224120807 571480127 /nfs/dbraw/zinc/48/01/27/571480127.db2.gz OBOBGKGKIMLHGF-SKZNYKRCSA-N 1 0 543.140 6.580 40 0 KKABRO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1CCC[NH+]1CCOCC1 ZINC000224125433 571481221 /nfs/dbraw/zinc/48/12/21/571481221.db2.gz WUNHBZBHICCTCD-QTRZJGERSA-N 1 0 621.295 6.535 40 0 KKABRO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)c(C)n1CCC[NH+]1CCOCC1 ZINC000224296770 571516064 /nfs/dbraw/zinc/51/60/64/571516064.db2.gz DADSHOUYLIDRKA-NSOVKSMOSA-N 1 0 503.716 5.016 40 0 KKABRO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1CCC[NH+]1CCOCC1 ZINC000224363869 571530562 /nfs/dbraw/zinc/53/05/62/571530562.db2.gz WBBQQNHQHSLAGK-URLMMPGGSA-N 1 0 517.743 5.523 40 0 KKABRO CC(C)(C)C[C@@H]1[NH2+][C@H](C(=O)NC2CCC(O)CC2)[C@@H](c2cccc(Cl)c2F)[C@]12C(=O)Nc1cc(Cl)ccc12 ZINC000167424401 571552752 /nfs/dbraw/zinc/55/27/52/571552752.db2.gz IDKAKZRYYDCJDU-WALOOIOGSA-N 1 0 562.513 5.303 40 0 KKABRO O=C(CN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccccc1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000224523480 571566066 /nfs/dbraw/zinc/56/60/66/571566066.db2.gz NGRWJMNTYDGPFE-UHFFFAOYSA-N 1 0 569.727 5.977 40 0 KKABRO CN1c2ccccc2C(C)(C)C1=CC=CC=CC1=[N+](CCCCCC(=O)NCCN2C(=O)C=CC2=O)c2ccccc2C1(C)C ZINC000205998238 571572383 /nfs/dbraw/zinc/57/23/83/571572383.db2.gz SNVFQTCVQAIPDS-UHFFFAOYSA-O 1 0 605.803 6.088 40 0 KKABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2cccc(C[NH+]3CCCC3)c2)c2cc(Cl)ccc2C)cc1 ZINC000224597804 571583309 /nfs/dbraw/zinc/58/33/09/571583309.db2.gz HRZMOYMJKZVDCU-UHFFFAOYSA-N 1 0 526.102 5.064 40 0 KKABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2cccc(C[NH+]3CCCC3)c2)c2cccc(Cl)c2C)cc1 ZINC000224597875 571583333 /nfs/dbraw/zinc/58/33/33/571583333.db2.gz WFDDKWBFPGDXEW-UHFFFAOYSA-N 1 0 526.102 5.064 40 0 KKABRO O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224603715 571584591 /nfs/dbraw/zinc/58/45/91/571584591.db2.gz ICKFUFMDNSDALV-UHFFFAOYSA-N 1 0 532.493 5.101 40 0 KKABRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000224614023 571586877 /nfs/dbraw/zinc/58/68/77/571586877.db2.gz MCEQFJYEROPOAK-GDLZYMKVSA-N 1 0 520.098 5.640 40 0 KKABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(Br)cc4)cc3)cc2)C1 ZINC000215904547 571587185 /nfs/dbraw/zinc/58/71/85/571587185.db2.gz DWJZQPLUHKADRJ-LJQANCHMSA-N 1 0 542.499 5.734 40 0 KKABRO O=C(CN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccccc1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224620026 571588478 /nfs/dbraw/zinc/58/84/78/571588478.db2.gz PDBXEEBFMMDJEF-UHFFFAOYSA-N 1 0 555.700 5.586 40 0 KKABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2cccc(C[NH+]3CCCCC3)c2)c2ccc(Br)cc2)cc1 ZINC000224651420 571595564 /nfs/dbraw/zinc/59/55/64/571595564.db2.gz ZMRCQZUJSBQVEM-UHFFFAOYSA-N 1 0 570.553 5.255 40 0 KKABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2cccc(C[NH+]3CCCCC3)c2)c2cc(Cl)cc(Cl)c2)cc1 ZINC000224651988 571595815 /nfs/dbraw/zinc/59/58/15/571595815.db2.gz NYLVXSKRFIWRJR-UHFFFAOYSA-N 1 0 560.547 5.799 40 0 KKABRO Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)cc1)S(=O)(=O)c1ccccc1 ZINC000224658466 571597311 /nfs/dbraw/zinc/59/73/11/571597311.db2.gz UMFNXUFOLPFVAR-UHFFFAOYSA-N 1 0 602.200 6.960 40 0 KKABRO Cc1ccccc1Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cc[nH+]cc2)cc1 ZINC000224662162 571598154 /nfs/dbraw/zinc/59/81/54/571598154.db2.gz ZHACZWCHHVRFPQ-VMPREFPWSA-N 1 0 503.631 6.545 40 0 KKABRO Cc1ccc(N(CC(=O)NCc2cccc(C[NH+]3CCCCC3)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000224661961 571598204 /nfs/dbraw/zinc/59/82/04/571598204.db2.gz BCRAHBNLPRQEEX-UHFFFAOYSA-N 1 0 526.102 5.146 40 0 KKABRO COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cc[nH+]cc2)cc1Cl ZINC000224043255 571600824 /nfs/dbraw/zinc/60/08/24/571600824.db2.gz REDLYJAMORHECM-RPBOFIJWSA-N 1 0 506.031 5.123 40 0 KKABRO COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cc(C)n(CCC[NH+]4CCOCC4)c3C)cc2)cc1 ZINC000224734974 571612336 /nfs/dbraw/zinc/61/23/36/571612336.db2.gz KHUYJZHWYUVLMF-JHOUSYSJSA-N 1 0 597.785 6.200 40 0 KKABRO O=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)NCc1ccccc1C[NH+]1CCCC1 ZINC000224760746 571614646 /nfs/dbraw/zinc/61/46/46/571614646.db2.gz AODGETAJMKBRAA-UHFFFAOYSA-N 1 0 532.493 5.101 40 0 KKABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2C[NH+]2CCCC2)c2ccc(Cl)cc2C)cc1 ZINC000224763903 571614916 /nfs/dbraw/zinc/61/49/16/571614916.db2.gz DVEXYXLNRPJHCV-UHFFFAOYSA-N 1 0 526.102 5.064 40 0 KKABRO O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)NCc1ccccc1C[NH+]1CCCC1 ZINC000224769553 571615418 /nfs/dbraw/zinc/61/54/18/571615418.db2.gz BEUAOFBRPJISQN-UHFFFAOYSA-N 1 0 532.493 5.101 40 0 KKABRO Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)NCc2ccccc2C[NH+]2CCCC2)cc1)S(=O)(=O)c1ccccc1 ZINC000224769677 571615469 /nfs/dbraw/zinc/61/54/69/571615469.db2.gz OJOPAKSFPHCRGK-UHFFFAOYSA-N 1 0 588.173 6.570 40 0 KKABRO 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COC1(COc2ccc(Cl)c(Cl)c2)CC[NH+](Cc2cccc(OCCCn3ccnc3)c2)CC1 ZINC000585270045 1071021758 /nfs/dbraw/zinc/02/17/58/1071021758.db2.gz BGVZGJYJSXZVPA-UHFFFAOYSA-N 1 0 504.458 5.719 40 0 KKABRO COC1(COc2ccc(Cl)c(Cl)c2)CC[NH+](Cc2cccc(OCCCn3nc(C)cc3C)c2)CC1 ZINC000585271094 1071025910 /nfs/dbraw/zinc/02/59/10/1071025910.db2.gz JIKTUQAKKGPPKN-UHFFFAOYSA-N 1 0 532.512 6.336 40 0 KKABRO CCc1nccn1CCCOc1cccc(C[N@@H+]2CCC[C@@](O)(COc3cc(C)ccc3Cl)CC2)c1 ZINC000585271638 1071023567 /nfs/dbraw/zinc/02/35/67/1071023567.db2.gz BEBCMAKHUHFERA-LJAQVGFWSA-N 1 0 512.094 5.672 40 0 KKABRO CCc1nccn1CCCOc1cc(C[N@@H+]2CCC[C@](O)(COc3ccc(Cl)c(Cl)c3)CC2)ccc1OC ZINC000585272230 1071024166 /nfs/dbraw/zinc/02/41/66/1071024166.db2.gz RHZXRLRQLZRIOD-GDLZYMKVSA-N 1 0 562.538 6.026 40 0 KKABRO Cc1cc(C)n(CCOc2ccc(C[N@H+](CCO)C[C@@H](O)CN3c4ccccc4Sc4ccccc43)cc2)n1 ZINC000585271442 1071024244 /nfs/dbraw/zinc/02/42/44/1071024244.db2.gz ZILOEIQAELUNHE-AREMUKBSSA-N 1 0 544.721 5.037 40 0 KKABRO COc1ccc(C[NH+]2CCC(COc3ccc(Cl)c(Cl)c3)(OC)CC2)cc1OCCCn1ccnc1C ZINC000585271157 1071025398 /nfs/dbraw/zinc/02/53/98/1071025398.db2.gz KLOKUFJGOGBBHT-UHFFFAOYSA-N 1 0 548.511 6.036 40 0 KKABRO COc1cc(C[NH+]2CCC(O)(COc3cc(C)ccc3Cl)CC2)ccc1OCCCn1ccnc1C ZINC000585273295 1071029992 /nfs/dbraw/zinc/02/99/92/1071029992.db2.gz ZDBGPLKEEPUKFQ-UHFFFAOYSA-N 1 0 514.066 5.037 40 0 KKABRO COc1ccc(C[N@@H+]2CCC[C@@](O)(COc3ccc(Cl)c(Cl)c3)CC2)cc1OCCCn1cc(C)cn1 ZINC000585274625 1071030474 /nfs/dbraw/zinc/03/04/74/1071030474.db2.gz LOCPWEDIRUWFJX-NDEPHWFRSA-N 1 0 548.511 5.772 40 0 KKABRO COc1cc(C[N@@H+]2CCC[C@@](O)(COc3cc(C)c(Cl)c(C)c3)C2)ccc1OCCCn1ccnc1C ZINC000585272604 1071027454 /nfs/dbraw/zinc/02/74/54/1071027454.db2.gz UGWCOFIIWGEWQI-LJAQVGFWSA-N 1 0 528.093 5.345 40 0 KKABRO COc1cc(C[N@@H+]2CCC[C@](O)(COc3cc(C)c(Cl)c(C)c3)C2)ccc1OCCCn1ccnc1C ZINC000585272601 1071028012 /nfs/dbraw/zinc/02/80/12/1071028012.db2.gz UGWCOFIIWGEWQI-GDLZYMKVSA-N 1 0 528.093 5.345 40 0 KKABRO COc1ccc(C[N@@H+]2CCC[C@](O)(COc3cc(C)ccc3Cl)C2)cc1OCCCn1ccnc1C ZINC000585272721 1071028392 /nfs/dbraw/zinc/02/83/92/1071028392.db2.gz WBOMSCBLJKUOAZ-MUUNZHRXSA-N 1 0 514.066 5.037 40 0 KKABRO COc1ccc(C[NH+]2CCC(COc3ccc(Cl)c(Cl)c3)(OC)CC2)cc1OCCCn1cc(C)cn1 ZINC000585274335 1071031875 /nfs/dbraw/zinc/03/18/75/1071031875.db2.gz JETGQVGLIYQSKG-UHFFFAOYSA-N 1 0 548.511 6.036 40 0 KKABRO COc1ccc(C[N@@H+]2CCC[C@](O)(COc3ccc(C)cc3C)CC2)cc1OCCCn1cc(C)cn1 ZINC000585273830 1071032984 /nfs/dbraw/zinc/03/29/84/1071032984.db2.gz FEPSJTPIUYUSPV-SSEXGKCCSA-N 1 0 507.675 5.082 40 0 KKABRO Cc1nccn1CCCOc1ccc(C[NH+]2CCC(O)(COc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000585273394 1071033807 /nfs/dbraw/zinc/03/38/07/1071033807.db2.gz NHVDNOAOBKLIHQ-UHFFFAOYSA-N 1 0 504.458 5.373 40 0 KKABRO Cc1cc(OCC2(O)CC[NH+](Cc3ccc(OCCCN4CCCCC4=O)cc3)CC2)cc(C)c1Cl ZINC000585278948 1071034522 /nfs/dbraw/zinc/03/45/22/1071034522.db2.gz BDHBJEYYCITRCI-UHFFFAOYSA-N 1 0 515.094 5.144 40 0 KKABRO Cc1ccc(=O)n(CCCOc2ccc(C[NH+]3CCC(O)(COc4cc(C)c(Cl)c(C)c4)CC3)cc2)c1 ZINC000585279115 1071038923 /nfs/dbraw/zinc/03/89/23/1071038923.db2.gz CXICSGVIEDXPRA-UHFFFAOYSA-N 1 0 525.089 5.302 40 0 KKABRO CCc1nccn1CCCOc1cccc(C[NH+]2CCC(Nc3nc(C)nc4sc(C)cc43)CC2)c1 ZINC000585292642 1071044998 /nfs/dbraw/zinc/04/49/98/1071044998.db2.gz LXSVYSIEICPBTN-UHFFFAOYSA-N 1 0 504.704 5.613 40 0 KKABRO COc1ccc(C[NH+]2CCC(Nc3ncnc4sc5c(c43)CC(C)(C)OC5)CC2)cc1Cn1ccnc1C ZINC000585293015 1071047135 /nfs/dbraw/zinc/04/71/35/1071047135.db2.gz RHDSJOWBMKODPQ-UHFFFAOYSA-N 1 0 532.714 5.181 40 0 KKABRO O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000408927158 1071070278 /nfs/dbraw/zinc/07/02/78/1071070278.db2.gz YKOMDFSAGFILCD-UHFFFAOYSA-N 1 0 574.146 6.848 40 0 KKABRO O=C(NCCSCc1ccc(Cl)c(Cl)c1)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000408926008 1071075453 /nfs/dbraw/zinc/07/54/53/1071075453.db2.gz MJAQAXTUAUTLLR-UHFFFAOYSA-N 1 0 527.561 7.111 40 0 KKABRO O=C(NCCSCc1ccc(Cl)cc1Cl)c1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000408926020 1071076144 /nfs/dbraw/zinc/07/61/44/1071076144.db2.gz MVAPQFPIIXXVMG-UHFFFAOYSA-N 1 0 528.549 5.974 40 0 KKABRO Cc1cc(CSc2ccccc2)ccc1NC(=O)c1ccc(C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000408922403 1071090179 /nfs/dbraw/zinc/09/01/79/1071090179.db2.gz AMTWHEJYYGUXHB-UHFFFAOYSA-N 1 0 507.703 6.862 40 0 KKABRO c1cc2[nH]c1=C(c1ccccc1)C1=[NH+]C(=C(c3ccccc3)C3=NC(=C(c4ccccc4)C4=CC[C@@H](N4)C=2c2ccccc2)C=C3)C=C1 ZINC000263617569 1071226004 /nfs/dbraw/zinc/22/60/04/1071226004.db2.gz ONDPAALTMYWFDG-BAFAYBEVSA-N 1 0 616.768 7.516 40 0 KKABRO Cc1ccccc1C[NH+]1CCC(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)CC1 ZINC000408710391 1071509036 /nfs/dbraw/zinc/50/90/36/1071509036.db2.gz BJXXUGNFOKEBQE-UHFFFAOYSA-N 1 0 566.045 6.319 40 0 KKABRO O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000408710400 1071507086 /nfs/dbraw/zinc/50/70/86/1071507086.db2.gz HFCZECDAQXCKRI-UHFFFAOYSA-N 1 0 586.463 6.664 40 0 KKABRO Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1 ZINC000408710424 1071507659 /nfs/dbraw/zinc/50/76/59/1071507659.db2.gz YJIWZJDPNCVYJB-UHFFFAOYSA-N 1 0 532.493 5.953 40 0 KKABRO O=C(Nc1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000408710405 1071507671 /nfs/dbraw/zinc/50/76/71/1071507671.db2.gz MKPLJCWKRXHJST-UHFFFAOYSA-N 1 0 534.081 6.145 40 0 KKABRO O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000408710404 1071507880 /nfs/dbraw/zinc/50/78/80/1071507880.db2.gz LLZAEVQGDRIWDA-UHFFFAOYSA-N 1 0 562.917 5.754 40 0 KKABRO O=[N+](/C(=C/N(O)c1c(Br)cc(F)cc1Br)c1cc2nonc2c(N2CCOCC2)c1)c1c(Br)cc(F)cc1Br ZINC000408710522 1071509100 /nfs/dbraw/zinc/50/91/00/1071509100.db2.gz LMTGIYBLLBEPLA-SRZZPIQSSA-N 1 0 796.035 7.692 40 0 KKABRO O=C(Nc1ccccc1)[C@@H](NCCC[NH2+][C@H](C(=O)Nc1ccccc1)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000408733966 1071569691 /nfs/dbraw/zinc/56/96/91/1071569691.db2.gz AABDTEGYOLXJCQ-VMPREFPWSA-N 1 0 561.513 6.623 40 0 KKABRO C=C1[NH+]=C(SCc2cc(OC)ccc2OC)N[C@H](c2cccc(Br)c2)C1C(=O)OCC ZINC000408988170 1071607336 /nfs/dbraw/zinc/60/73/36/1071607336.db2.gz HIMDKUWOINIUEJ-OAQYLSRUSA-N 1 0 505.434 5.237 40 0 KKABRO C=C1[NH+]=C(SCC(=O)Nc2cc(C)ccc2C)N[C@H](c2cccc(Br)c2)C1C(=O)OCC ZINC000409333591 1072352617 /nfs/dbraw/zinc/35/26/17/1072352617.db2.gz HZIYRUVRZFIKPR-JOCHJYFZSA-N 1 0 516.461 5.275 40 0 KKABRO CC1(C)COCCC[C@H]2C[N@H+](CCC(F)(F)F)CC[C@H]2CC(=O)N(CC2CCC(F)(F)CC2)C[C@@H]1O ZINC001534612092 1073172372 /nfs/dbraw/zinc/17/23/72/1073172372.db2.gz GTOSHBWGLAZDSC-FKBYEOEOSA-N 1 0 526.631 5.119 40 0 KKABRO CC1(C)COCCC[C@H]2C[N@@H+](C3Cc4ccccc4C3)CC[C@H]2CC(=O)N(CC2CCC(F)(F)CC2)C[C@@H]1O ZINC001534613075 1073172473 /nfs/dbraw/zinc/17/24/73/1073172473.db2.gz PFFQGWYAGLMFTM-YCVJPRETSA-N 1 0 546.743 5.334 40 0 KKABRO COc1cc([C@H](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc(OC)c1OC ZINC001547138547 1073179143 /nfs/dbraw/zinc/17/91/43/1073179143.db2.gz CJVAMYXXWSINCZ-LGXAAPQCSA-N 1 0 702.845 6.547 40 0 KKABRO COc1ccc([C@@H](CNC(=O)C[C@H](c2cc(OC)c(OC)c(OC)c2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)[NH+](C)C)cc1 ZINC001547139273 1073185540 /nfs/dbraw/zinc/18/55/40/1073185540.db2.gz UQDHAXVIYNZCGX-JYJPFYCCSA-N 1 0 732.871 6.555 40 0 KKABRO COC(=O)C(C)(C)c1ccc(C(=O)CCC[NH+]2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000035636692 1073209394 /nfs/dbraw/zinc/20/93/94/1073209394.db2.gz MSGNQXZBCGURTB-UHFFFAOYSA-N 1 0 513.678 6.371 40 0 KKABRO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)N(Cc1ccc(C)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374257 551653510 /nfs/dbraw/zinc/65/35/10/551653510.db2.gz JGESJIQTISMPCX-LJAQVGFWSA-N 1 0 522.653 5.342 40 0 KKABRO CC[C@H](c1nnnn1CCc1ccccc1)N(Cc1ccc(C)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374501 551654090 /nfs/dbraw/zinc/65/40/90/551654090.db2.gz NYXRFHJTZQUERQ-GDLZYMKVSA-N 1 0 522.653 5.228 40 0 KKABRO CC[C@H](c1nnnn1C(C)(C)CC)N(Cc1ccc(C)cc1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000001374940 551655533 /nfs/dbraw/zinc/65/55/33/551655533.db2.gz BDBXAWZBMURVED-XMMPIXPASA-N 1 0 518.662 5.139 40 0 KKABRO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)C1CCCCC1 ZINC000001374959 551655897 /nfs/dbraw/zinc/65/58/97/551655897.db2.gz HMIDLBSNAUFLKO-VWLOTQADSA-N 1 0 534.636 5.005 40 0 KKABRO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)N(Cc1ccc2c(c1)OCO2)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000001375482 551657236 /nfs/dbraw/zinc/65/72/36/551657236.db2.gz CFUKTELDAKTGPP-SANMLTNESA-N 1 0 554.626 5.201 40 0 KKABRO CC[C@H](c1nnnn1C(C)(C)C)N(CCc1ccc(OC)c(OC)c1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000001375564 551657241 /nfs/dbraw/zinc/65/72/41/551657241.db2.gz LLQRBLVIBOMISQ-XMMPIXPASA-N 1 0 532.689 5.100 40 0 KKABRO COc1ccc(Cc2c3cc(OC)c(NCc4ccccc4)cc3cc[n+]2Cc2ccccc2)cc1OC ZINC000001859045 551716646 /nfs/dbraw/zinc/71/66/46/551716646.db2.gz ZTJYBKMWEKUHEI-UHFFFAOYSA-O 1 0 505.638 6.404 40 0 KKABRO CCC(=O)Oc1ccc([C@H](C[NH+](C)C)OC(=O)C(c2ccccc2)c2ccccc2)cc1OC(=O)CC ZINC000004683491 552471691 /nfs/dbraw/zinc/47/16/91/552471691.db2.gz KDKOLDOPFLIRTB-SANMLTNESA-N 1 0 503.595 5.295 40 0 KKABRO CC[C@H]1C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@@H]1c2cc(OC)c(OC)cc2CCN1N=O ZINC000005179409 552494271 /nfs/dbraw/zinc/49/42/71/552494271.db2.gz DSESAZXQJDLHQZ-XOPCJJJQSA-N 1 0 509.647 5.337 40 0 KKABRO COc1cc(C(=O)NC(=S)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)ccc1OCc1ccc(Cl)cc1 ZINC000006289353 552578647 /nfs/dbraw/zinc/57/86/47/552578647.db2.gz NJEMBFNVTXPYFG-UHFFFAOYSA-N 1 0 601.172 6.377 40 0 KKABRO COC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2C[C@@H]([NH2+]CCCn3ccnc3)C[C@@H](c3ccc(Cl)c(F)c3)N21 ZINC000008636159 553105184 /nfs/dbraw/zinc/10/51/84/553105184.db2.gz VCCFYESMPAXART-OQVMAISDSA-N 1 0 536.051 5.181 40 0 biogenic,in-vitro KKABRO CCCC[NH+](CCCC)CC[C@@H](O)c1cc(-c2ccc(C(F)(F)F)cc2)nc(-c2ccc(C(F)(F)F)cc2)c1 ZINC000008649018 553107249 /nfs/dbraw/zinc/10/72/49/553107249.db2.gz UUYJAPDCVNIBPT-MUUNZHRXSA-N 1 0 552.603 8.779 40 0 KKABRO CC[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3ccc(-c4ccc(Cl)c(Cl)c4)o3)cc2)CC1 ZINC000008898310 553180123 /nfs/dbraw/zinc/18/01/23/553180123.db2.gz NUHLFXROBWEIQC-UHFFFAOYSA-N 1 0 503.455 5.522 40 0 KKABRO COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NCCC[NH+]2CCCCCC2)cc1 ZINC000010111198 553328399 /nfs/dbraw/zinc/32/83/99/553328399.db2.gz JPOXAEYZLARELK-UHFFFAOYSA-N 1 0 535.710 5.087 40 0 KKABRO CCc1cc([C@H](c2ccc(F)cc2)[NH+]2CCC(Cc3ccccc3)CC2)c(NC(=O)c2ccccc2)s1 ZINC000012290228 553356702 /nfs/dbraw/zinc/35/67/02/553356702.db2.gz YZKJFDSIHXVWBS-PMERELPUSA-N 1 0 512.694 7.746 40 0 KKABRO O=C(C[NH+]1CCC(n2c3ccc(F)cc3nc2C(F)(F)F)CC1)N(C1CCCCC1)C1CCCCC1 ZINC000012640194 553408043 /nfs/dbraw/zinc/40/80/43/553408043.db2.gz WTOLXMYIHYPLFD-UHFFFAOYSA-N 1 0 508.604 6.325 40 0 KKABRO CCc1ccc2[nH]c(=O)c(C[N@@H+]([C@@H](CC)c3nnnn3Cc3ccc(OC)cc3)C3CCCCC3)cc2c1 ZINC000013063706 553443715 /nfs/dbraw/zinc/44/37/15/553443715.db2.gz AWRUFTNWUDGNKJ-NDEPHWFRSA-N 1 0 514.674 5.420 40 0 KKABRO CC[C@H](c1nnnn1CCc1ccccc1)N(Cc1ccc(C)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494838 553460570 /nfs/dbraw/zinc/46/05/70/553460570.db2.gz AECPMXXMPHVVKW-GDLZYMKVSA-N 1 0 520.681 5.836 40 0 KKABRO COc1ccc([C@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000015441030 553533335 /nfs/dbraw/zinc/53/33/35/553533335.db2.gz ADXUCHVVUVWTPZ-WJOKGBTCSA-N 1 0 524.730 7.670 40 0 KKABRO C[C@H]([NH2+]Cc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)C12CC3CC(CC(C3)C1)C2 ZINC000016576147 553568484 /nfs/dbraw/zinc/56/84/84/553568484.db2.gz PTPNCCSNEHOIQB-BTVKBFDZSA-N 1 0 523.342 8.029 40 0 KKABRO C[C@]12CC3CC([NH2+]Cc4cc(Br)ccc4OCc4ccc(Cl)cc4Cl)(C1)C[C@@](C)(C3)C2 ZINC000016605880 553568788 /nfs/dbraw/zinc/56/87/88/553568788.db2.gz WVGTUEFXMKASBZ-AFKVYGCLSA-N 1 0 523.342 8.174 40 0 KKABRO CCOc1cc(C[NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)cc(Br)c1OCc1ccc(F)cc1 ZINC000016688481 553573084 /nfs/dbraw/zinc/57/30/84/553573084.db2.gz YQEOOYJSCHYNFJ-ILGMFUTISA-N 1 0 516.495 7.405 40 0 KKABRO CCOc1cc(C[NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)cc(Br)c1OCc1ccccc1F ZINC000016688710 553573251 /nfs/dbraw/zinc/57/32/51/553573251.db2.gz GDSSAHNWNFDXHA-ZBZKZAQZSA-N 1 0 516.495 7.405 40 0 KKABRO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)C[n+]1c2ccccc2n(C)c1COc1ccc(Br)cc1 ZINC000017466847 553596694 /nfs/dbraw/zinc/59/66/94/553596694.db2.gz BJYBBFVRKCVANY-QNIAMRLHSA-N 1 0 514.484 5.811 40 0 KKABRO C[C@@H]1[C@@H]2C[C@H]3[C@@](C2)([C@@H]1O)[C@@H](OC(=O)c1ccccc1)C[C@H]1[C@@]2(C)CCC[C@@]31C=[N+](CCOC(=O)c1ccccc1)C2 ZINC000070669944 553599491 /nfs/dbraw/zinc/59/94/91/553599491.db2.gz ZGJNBFONRAJFJM-HLLUIIFFSA-N 1 0 556.723 5.386 40 0 KKABRO FC(F)(F)c1ccc2c(c1)N(CCCN1CCN(CC[NH+]3CCCCC3)CC1)c1ccccc1S2 ZINC000019366288 553614142 /nfs/dbraw/zinc/61/41/42/553614142.db2.gz ZPBNZKWNUNRBDE-UHFFFAOYSA-N 1 0 504.666 5.802 40 0 KKABRO O=C(c1c2ccc([O-])c(C(=O)c3ccc(OCC[NH+]4CCCCC4)cc3)c2sc1-c1ccc(O)cc1)c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000072132468 553643728 /nfs/dbraw/zinc/64/37/28/553643728.db2.gz ZIQUILNLPRCFRB-UHFFFAOYSA-N 1 0 704.889 8.171 40 0 in-vitro KKABRO C=C(c1ccc(C(=c2ccc(=C(C3=[NH+]C(=C(C4=NCC=C4)c4ccc(OC)cc4)C=C3)c3ccc(OC)cc3)[nH]2)c2ccc(OC)cc2)[nH]1)c1ccc(OC)cc1 ZINC000095100383 553698736 /nfs/dbraw/zinc/69/87/36/553698736.db2.gz FYCKALYIADAEEW-SXRXECNJSA-N 1 0 750.899 8.318 40 0 KKABRO CS(=O)(=O)c1ccc(-c2cc(-c3ccc(S(C)(=O)=O)cc3)[n+](-c3cc(-c4ccccc4)c(O)c(-c4ccccc4)c3)c(-c3ccc(S(C)(=O)=O)cc3)c2)cc1 ZINC000095550368 553704173 /nfs/dbraw/zinc/70/41/73/553704173.db2.gz NZJAHSCHKKGYDX-UHFFFAOYSA-O 1 0 786.973 8.214 40 0 KKABRO c1ccc(P(C2CCCCC2)C2CCCCC2)c(-c2ccccc2[PH+](C2CCCCC2)C2CCCCC2)c1 ZINC000095869750 553714409 /nfs/dbraw/zinc/71/44/09/553714409.db2.gz BSSFMHHLTVJPGW-UHFFFAOYSA-N 1 0 546.760 10.899 40 0 KKABRO CCOc1cc(C[NH2+]C23CC4CC(CC(C4)C2)C3)cc(Br)c1OCc1ccccc1Cl ZINC000022073814 553725886 /nfs/dbraw/zinc/72/58/86/553725886.db2.gz NDMKSQOKZRAEDA-UHFFFAOYSA-N 1 0 504.896 7.139 40 0 KKABRO COc1cc(C[NH2+]C2C3CC4CC(C3)CC2C4)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000022073706 553725888 /nfs/dbraw/zinc/72/58/88/553725888.db2.gz GVONKJMFQZEJJO-UHFFFAOYSA-N 1 0 525.314 7.258 40 0 KKABRO COc1cc(C[NH2+]CCCSc2nnnn2-c2ccccc2)cc(Cl)c1OCc1cccs1 ZINC000022108461 553726089 /nfs/dbraw/zinc/72/60/89/553726089.db2.gz ZEMUIUUAGWFDRB-UHFFFAOYSA-N 1 0 502.065 5.237 40 0 KKABRO COc1cc(C[NH2+]CCSc2nnnn2-c2ccccc2)ccc1OCc1c(Cl)cccc1Cl ZINC000022108043 553726151 /nfs/dbraw/zinc/72/61/51/553726151.db2.gz ZZVRHYVCEITCQZ-UHFFFAOYSA-N 1 0 516.454 5.439 40 0 KKABRO COc1cc(C[NH2+]CCCSc2nnnn2C)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000022109327 553726597 /nfs/dbraw/zinc/72/65/97/553726597.db2.gz BBVYJTNEKPCMOH-UHFFFAOYSA-N 1 0 502.855 5.030 40 0 KKABRO CC(=O)N1CCC2(CC1)C[C@@H](CC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1)c1ccccc1O2 ZINC000096268125 553731553 /nfs/dbraw/zinc/73/15/53/553731553.db2.gz ILYOJHRZPLKJGZ-RUZDIDTESA-N 1 0 503.687 5.727 40 0 KKABRO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)cc2c1 ZINC000022866280 553763425 /nfs/dbraw/zinc/76/34/25/553763425.db2.gz DFEXSHHTZXYELX-UMSFTDKQSA-N 1 0 603.771 5.915 40 0 KKABRO COc1ccc(CC[C@@H]2[NH2+]CCc3cc(OCc4ccccc4)c(OC)cc32)cc1OCc1ccccc1 ZINC000025694496 553813029 /nfs/dbraw/zinc/81/30/29/553813029.db2.gz MMXMEXJMIQPFGC-LJAQVGFWSA-N 1 0 509.646 6.681 40 0 KKABRO COC(=O)C1(C(=O)OC)[C@@H](c2ccccc2)[C@@H](C(=O)c2ccc(Cl)cc2Cl)[N@@H+]2C=Cc3ccccc3[C@@H]21 ZINC000097956266 553837377 /nfs/dbraw/zinc/83/73/77/553837377.db2.gz XZLDJIMNFYMIEX-KYPHJKQUSA-N 1 0 536.411 5.702 40 0 KKABRO Cc1nnc(C(C)C)n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 ZINC000030691387 553855170 /nfs/dbraw/zinc/85/51/70/553855170.db2.gz GSNHKUDZZFZSJB-BTUDYTORSA-N 1 0 513.677 5.951 40 0 in-man KKABRO COc1cc2c3c(c1O)-c1cc(OC)c(Oc4c(C[C@H]5c6cc(OC)c(OC)cc6CC[N@H+]5C)ccc(OC)c4OC)cc1C[C@H]3CN(C)C2 ZINC000098003564 554055168 /nfs/dbraw/zinc/05/51/68/554055168.db2.gz GBCVQFRXHFMNCA-SVEHJYQDSA-N 1 0 682.814 6.760 40 0 KKABRO CCn1c(=O)c(-c2ccc(-c3cncs3)cc2Cl)cc2cnc(Nc3ccc(N4CC[NH+](C)CC4)cc3)nc21 ZINC000098209617 554177147 /nfs/dbraw/zinc/17/71/47/554177147.db2.gz DHUJCQOUWQMVCG-UHFFFAOYSA-N 1 0 558.111 5.751 40 0 in-vitro KKABRO O=C(NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1ccc(OCc2ccccc2)cc1 ZINC000100055778 554196254 /nfs/dbraw/zinc/19/62/54/554196254.db2.gz GUKGEPDYJOAAJD-UHFFFAOYSA-N 1 0 536.701 5.715 40 0 KKABRO COc1ccc(NS(=O)(=O)c2ccc(NC(=O)C3CC[NH+](Cc4cccc(Cl)c4)CC3)cc2)cc1 ZINC000039759813 554280298 /nfs/dbraw/zinc/28/02/98/554280298.db2.gz FXWRVBXUTIJZQY-UHFFFAOYSA-N 1 0 514.047 5.000 40 0 KKABRO Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)C3CC[NH+](Cc4cccc(Cl)c4)CC3)cc2)c(C)c1 ZINC000039773567 554281076 /nfs/dbraw/zinc/28/10/76/554281076.db2.gz CJWKKBLFUSJBDT-UHFFFAOYSA-N 1 0 512.075 5.608 40 0 KKABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c2ccc(Cl)cc2C)cc1 ZINC000044857278 554305769 /nfs/dbraw/zinc/30/57/69/554305769.db2.gz REOCCPBFECUKGO-UHFFFAOYSA-N 1 0 526.102 5.064 40 0 KKABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c2cc(C)cc(C)c2)cc1 ZINC000044873622 554306471 /nfs/dbraw/zinc/30/64/71/554306471.db2.gz GQZCRFPLVYZPOG-UHFFFAOYSA-N 1 0 519.711 5.109 40 0 KKABRO CS(=O)(=O)N(Cc1ccc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1)c1cccc(Cl)c1 ZINC000044874551 554307202 /nfs/dbraw/zinc/30/72/02/554307202.db2.gz ZMGDIGGNDYELPJ-UHFFFAOYSA-N 1 0 526.102 5.222 40 0 KKABRO CCOc1ccc2[nH]c(=O)c(CN(CCc3cccc(C)c3)[C@@H](CC)c3nnnn3Cc3ccccc3)cc2c1 ZINC000100377159 554360220 /nfs/dbraw/zinc/36/02/20/554360220.db2.gz LXRLRUJFNDMCJF-PMERELPUSA-N 1 0 536.680 5.466 40 0 KKABRO Cc1sc(NC(=O)c2ccco2)c([C@H](c2ccc(OC(F)F)cc2)[NH+]2CCC(Cc3ccccc3)CC2)c1C ZINC000100931009 554527167 /nfs/dbraw/zinc/52/71/67/554527167.db2.gz COODANBIGUCZRQ-NDEPHWFRSA-N 1 0 550.671 7.856 40 0 KKABRO OCC(CO)[NH2+][C@H]1C[C@](O)(CCc2ccccc2)[C@@H](Cc2ccccc2)[C@@H](Cc2ccccc2)[C@@H]1Cc1ccccc1 ZINC000067665446 554533535 /nfs/dbraw/zinc/53/35/35/554533535.db2.gz FUJYFVMTHDIVAX-OWIVKRMQSA-N 1 0 563.782 5.642 40 0 in-vitro KKABRO CCOc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000100994483 554550554 /nfs/dbraw/zinc/55/05/54/554550554.db2.gz FRLBYNGRZXZDHK-UHFFFAOYSA-N 1 0 565.721 7.398 40 0 KKABRO Cc1cc2c(c(C)c1)NC(=O)[C@@]21[N@@H+]2CCC[C@@H]2[C@@H](C(=O)c2ccc(Br)cc2)[C@@]12C(=O)Nc1ccccc12 ZINC000101064445 554571744 /nfs/dbraw/zinc/57/17/44/554571744.db2.gz JLEJNNHBBFNPSP-GCDSYTDFSA-N 1 0 556.460 5.081 40 0 KKABRO CCOc1ccc([C@H](c2cc(CC)sc2NC(=O)c2ccccc2)[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000101100380 554587470 /nfs/dbraw/zinc/58/74/70/554587470.db2.gz HAJXVVBVNDIWDX-JGCGQSQUSA-N 1 0 538.757 8.006 40 0 KKABRO O=C(Nc1nc2ccccc2n1CC[NH+]1CCCCC1)c1ccc(COc2ccc(Br)cc2)cc1 ZINC000101530185 554794544 /nfs/dbraw/zinc/79/45/44/554794544.db2.gz DIQGDAWWNMALAA-UHFFFAOYSA-N 1 0 533.470 6.116 40 0 KKABRO Fc1ccccc1COc1ccc(Br)cc1C[NH2+]CCCSc1nnnn1-c1ccccc1 ZINC000102558685 554966216 /nfs/dbraw/zinc/96/62/16/554966216.db2.gz SVINWCJVJGMRTF-UHFFFAOYSA-N 1 0 528.451 5.415 40 0 KKABRO COc1cccc(C[NH2+]CCCSc2nnnn2-c2ccccc2)c1OCc1ccc(Cl)cc1Cl ZINC000102558806 554966279 /nfs/dbraw/zinc/96/62/79/554966279.db2.gz QIHMMPLXLQLKIU-UHFFFAOYSA-N 1 0 530.481 5.829 40 0 KKABRO COc1cc(C[NH2+]CCSc2nnnn2-c2ccccc2)cc(Br)c1OCc1ccccc1F ZINC000102559314 554966555 /nfs/dbraw/zinc/96/65/55/554966555.db2.gz GMINPZCIEDVUFM-UHFFFAOYSA-N 1 0 544.450 5.033 40 0 KKABRO Clc1ccccc1COc1ccc(Br)cc1C[NH2+]CCSc1nnnn1-c1ccccc1 ZINC000102559352 554966908 /nfs/dbraw/zinc/96/69/08/554966908.db2.gz HZDMMGDKIGLRBU-UHFFFAOYSA-N 1 0 530.879 5.539 40 0 KKABRO CCOc1cc(C[NH2+]CCSc2nnnn2-c2ccccc2)ccc1OCc1ccc(Cl)cc1Cl ZINC000102559371 554966914 /nfs/dbraw/zinc/96/69/14/554966914.db2.gz NEUDSGSYTQHYGW-UHFFFAOYSA-N 1 0 530.481 5.829 40 0 KKABRO CCOc1cc(C[NH2+]C[C@@H](O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000102563432 554969142 /nfs/dbraw/zinc/96/91/42/554969142.db2.gz ULEKGZLSAOBLIK-JOCHJYFZSA-N 1 0 525.270 6.557 40 0 KKABRO Cc1ccc(-c2nn(-c3ccccc3)cc2CNCC[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(C)cc2)cc1 ZINC000102584557 554973005 /nfs/dbraw/zinc/97/30/05/554973005.db2.gz QQKXKALZFOYNKU-UHFFFAOYSA-N 1 0 552.726 6.888 40 0 KKABRO COc1cccc(C(=O)[C@H]2[C@H](C(=O)c3ccc(OC)cc3OC)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN23)c1 ZINC000103537933 555436732 /nfs/dbraw/zinc/43/67/32/555436732.db2.gz GJKPHDMNCVZQEB-AXXJGTDDSA-N 1 0 586.644 5.694 40 0 KKABRO CCCOc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc(C)cc3)N3C=Cc4ccccc4[C@@H]3[C@@]23c2ccccc2NC3=O)cc1 ZINC000103287991 571361447 /nfs/dbraw/zinc/36/14/47/571361447.db2.gz SQCZTRWPUIZFTB-CYPQMOBWSA-N 1 0 568.673 6.766 40 0 KKABRO CCCOc1ccc(C(=O)[C@H]2[C@H](C(=O)c3cccs3)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000103288146 571361608 /nfs/dbraw/zinc/36/16/08/571361608.db2.gz UYDGXMBPUCJLHT-NGTMZHBCSA-N 1 0 560.675 6.519 40 0 KKABRO CCCOc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc4c(c3)OCO4)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000103288071 571361620 /nfs/dbraw/zinc/36/16/20/571361620.db2.gz HMSACZQRUSJPKE-CYPQMOBWSA-N 1 0 598.655 6.186 40 0 KKABRO CCCOc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3cc(OC)ccc3OC)N3C=Cc4ccccc4[C@@H]3[C@@]23c2ccccc2NC3=O)cc1 ZINC000103287965 571361634 /nfs/dbraw/zinc/36/16/34/571361634.db2.gz KITQYGYVCYNJBY-OSZGUBSQSA-N 1 0 614.698 6.474 40 0 KKABRO CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC=C4[C@H]5CC(C)(C)CC[C@]5(C(=O)NCC[NH+](C)C)CC[C@]4(C)[C@]3(C)CC[C@@H]2C1(C)C ZINC000104269977 571378169 /nfs/dbraw/zinc/37/81/69/571378169.db2.gz XMEBYGAEVAMHEQ-YMJJACPRSA-N 1 0 568.887 7.398 40 0 KKABRO CCOc1cc(C[NH2+]CCc2ccc(F)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000105251999 571392429 /nfs/dbraw/zinc/39/24/29/571392429.db2.gz RYILWFGUVDRAQS-UHFFFAOYSA-N 1 0 527.261 7.205 40 0 KKABRO CCOc1cc(C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000105252172 571392464 /nfs/dbraw/zinc/39/24/64/571392464.db2.gz LGAKPKCRJBSCCX-UHFFFAOYSA-N 1 0 543.900 5.604 40 0 KKABRO O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000105318475 571400868 /nfs/dbraw/zinc/40/08/68/571400868.db2.gz IQQGRJIIMVAWPG-NTCAYCPXSA-N 1 0 591.564 7.102 40 0 KKABRO O=C(NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000105318414 571400884 /nfs/dbraw/zinc/40/08/84/571400884.db2.gz RPUUTFCMTINCGO-UHFFFAOYSA-N 1 0 531.081 6.049 40 0 KKABRO CCOc1cc(C[NH2+]CCCSc2nnnn2C)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000105346956 571403443 /nfs/dbraw/zinc/40/34/43/571403443.db2.gz FOBSGTOROXKAEI-UHFFFAOYSA-N 1 0 561.333 5.529 40 0 KKABRO O=C(Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000108580102 571426265 /nfs/dbraw/zinc/42/62/65/571426265.db2.gz NELPGECRILXAHK-UHFFFAOYSA-N 1 0 536.456 5.784 40 0 KKABRO O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000108571888 571426347 /nfs/dbraw/zinc/42/63/47/571426347.db2.gz DJEPTWFIZITFEY-UHFFFAOYSA-N 1 0 552.911 6.298 40 0 KKABRO O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000108566270 571426352 /nfs/dbraw/zinc/42/63/52/571426352.db2.gz WNWFCSLHCQLUBA-UHFFFAOYSA-N 1 0 570.008 6.149 40 0 KKABRO Cc1ccccc1C[NH+]1CCC(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)CC1 ZINC000108585433 571426373 /nfs/dbraw/zinc/42/63/73/571426373.db2.gz JLOSNCMKRYONFV-UHFFFAOYSA-N 1 0 531.600 5.665 40 0 KKABRO O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000108576413 571426384 /nfs/dbraw/zinc/42/63/84/571426384.db2.gz RUEBGLORGRNFGV-UHFFFAOYSA-N 1 0 552.911 6.298 40 0 KKABRO O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000108565589 571426393 /nfs/dbraw/zinc/42/63/93/571426393.db2.gz JNFIXASGVXXJAY-UHFFFAOYSA-N 1 0 570.008 6.149 40 0 KKABRO COc1cc(N2CCC([NH+]3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(-c2c[nH]c3ccccc32)n1 ZINC000114002844 571443236 /nfs/dbraw/zinc/44/32/36/571443236.db2.gz HRYNCLKDKCPYBF-UHFFFAOYSA-N 1 0 532.092 5.247 40 0 KKABRO CN(C)c1ccc(-c2cc(-c3ccccc3)[n+](C[C@@]3(O)CC[C@H]4[C@@H]5CC[C@@]6(C)CCCC[C@]6(C)[C@H]5CC[C@@]43C)c(-c3ccccc3)c2)cc1 ZINC000118920785 571445963 /nfs/dbraw/zinc/44/59/63/571445963.db2.gz NVBRMCWACQRTTK-WLLGONDKSA-N 1 0 653.975 10.595 40 0 KKABRO CC(=O)O[C@H]1CC[C@@]2(C)C(=C[C@@H]([NH2+]C3CCCCC3)[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1 ZINC000118933524 571447707 /nfs/dbraw/zinc/44/77/07/571447707.db2.gz FTLRMZFOMOKYGR-JOCKTHMLSA-N 1 0 525.862 8.860 40 0 KKABRO CC(=O)O[C@H]1CC[C@@]2(C)C(=C[C@@H]([NH+]3CCCCC3)[C@H]3[C@@H]4CC[C@H]([C@@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1 ZINC000118934374 571447847 /nfs/dbraw/zinc/44/78/47/571447847.db2.gz LDLFMTWFFWGZLY-WAWMMJHLSA-N 1 0 511.835 8.424 40 0 KKABRO C[C@@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23COC(=O)c2ccccc2)[N@H+]2C[C@@H](C)CC[C@@H]12 ZINC000118936293 571447892 /nfs/dbraw/zinc/44/78/92/571447892.db2.gz YAMLGKVIAKRQOH-GPNVFMKFSA-N 1 0 517.754 6.492 40 0 KKABRO C[C@@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](OC(=O)c6ccccc6)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]12CC[C@@H](C)C[NH2+]2 ZINC000118936410 571447904 /nfs/dbraw/zinc/44/79/04/571447904.db2.gz KVEGADOINRXKBW-RWQLEVFBSA-N 1 0 517.754 7.152 40 0 KKABRO C[C@@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](OC(=O)c6ccccc6)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@]12CC[C@@H](C)C[NH2+]2 ZINC000118936412 571447959 /nfs/dbraw/zinc/44/79/59/571447959.db2.gz KVEGADOINRXKBW-LTNDIVSRSA-N 1 0 517.754 7.152 40 0 KKABRO O=C(CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000139850018 571453962 /nfs/dbraw/zinc/45/39/62/571453962.db2.gz TVILERFHHDCMIE-UHFFFAOYSA-N 1 0 566.045 5.466 40 0 KKABRO O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000139849881 571453967 /nfs/dbraw/zinc/45/39/67/571453967.db2.gz OYKBXUGCSOWHJF-UHFFFAOYSA-N 1 0 532.493 5.101 40 0 KKABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c2cc(Cl)cc(Cl)c2)cc1 ZINC000139851363 571453996 /nfs/dbraw/zinc/45/39/96/571453996.db2.gz VINHZZZENINKTP-UHFFFAOYSA-N 1 0 546.520 5.409 40 0 KKABRO Cc1ccc(N(CC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1C ZINC000139878272 571454212 /nfs/dbraw/zinc/45/42/12/571454212.db2.gz DAGPCUNZBSBIFR-UHFFFAOYSA-N 1 0 540.129 5.454 40 0 KKABRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1 ZINC000139875970 571454233 /nfs/dbraw/zinc/45/42/33/571454233.db2.gz CYROUXMCOZJMMY-UHFFFAOYSA-N 1 0 553.728 5.998 40 0 KKABRO CO[C@@]12CC[C@]3(C[C@@H]1C(C)(C)O)[C@H]1Cc4ccc(OC(c5ccccc5)(c5ccccc5)c5ccccc5)c5c4[C@@]3(CC[N@@H+]1CC1CC1)[C@H]2O5 ZINC000150342907 571458815 /nfs/dbraw/zinc/45/88/15/571458815.db2.gz SNKBBYANVCGZHV-GGRBNYHYSA-N 1 0 667.890 8.053 40 0 KKABRO CSCC[C@H]1[NH2+][C@@]2(c3ccccc3N(Cc3ccc(Cl)c(Cl)c3)C2=O)[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]12 ZINC000150386075 571469194 /nfs/dbraw/zinc/46/91/94/571469194.db2.gz KPXRSOBZIDDLJG-OAWVOVMNSA-N 1 0 634.507 6.285 40 0 KKABRO C[NH+]1CCC(N(CCOC(=O)Cn2c(-c3ccc(F)cc3)cc3cccnc32)C(=O)Cn2c(-c3ccc(F)cc3)cc3cccnc32)CC1 ZINC000150406318 571479677 /nfs/dbraw/zinc/47/96/77/571479677.db2.gz VZFOHGFPGXUEOZ-UHFFFAOYSA-N 1 0 662.741 6.164 40 0 KKABRO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1CCC[NH+]1CCOCC1 ZINC000224125385 571481187 /nfs/dbraw/zinc/48/11/87/571481187.db2.gz WUNHBZBHICCTCD-CPHCMYBFSA-N 1 0 621.295 6.535 40 0 KKABRO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)c(C)n1CCC[NH+]1CCOCC1 ZINC000224296689 571515966 /nfs/dbraw/zinc/51/59/66/571515966.db2.gz DADSHOUYLIDRKA-IZLXSDGUSA-N 1 0 503.716 5.016 40 0 KKABRO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1CCC[NH+]1CCOCC1 ZINC000224461064 571551388 /nfs/dbraw/zinc/55/13/88/571551388.db2.gz AWTVKXLJCPQKHF-UIOOFZCWSA-N 1 0 510.107 5.053 40 0 KKABRO Cc1ccc(C)c(N(Cc2ccc(C(=O)NCc3ccc(C[NH+]4CCCCC4)cc3)cc2)S(C)(=O)=O)c1 ZINC000224532906 571568070 /nfs/dbraw/zinc/56/80/70/571568070.db2.gz DFPWABIPRVFKPU-UHFFFAOYSA-N 1 0 519.711 5.186 40 0 KKABRO Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000224602892 571584569 /nfs/dbraw/zinc/58/45/69/571584569.db2.gz OEMPKIWIVLVHEK-UHFFFAOYSA-N 1 0 553.728 5.916 40 0 KKABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(Br)cc4)cc3)cc2)C1 ZINC000215904591 571587174 /nfs/dbraw/zinc/58/71/74/571587174.db2.gz DWJZQPLUHKADRJ-IBGZPJMESA-N 1 0 542.499 5.734 40 0 KKABRO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1CCC[NH+]1CCOCC1 ZINC000224633186 571591114 /nfs/dbraw/zinc/59/11/14/571591114.db2.gz KWGZNYUDTOZBBK-ROJLCIKYSA-N 1 0 567.759 6.192 40 0 KKABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2cccc(C[NH+]3CCCCC3)c2)c2cccc(Cl)c2)cc1 ZINC000224651200 571595428 /nfs/dbraw/zinc/59/54/28/571595428.db2.gz WNSCWYTZVXMJCX-UHFFFAOYSA-N 1 0 526.102 5.146 40 0 KKABRO CCOc1ccc(N(CC(=O)NCc2cccc(C[NH+]3CCCCC3)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000224656586 571596888 /nfs/dbraw/zinc/59/68/88/571596888.db2.gz KDBDQPMFNMNBFY-UHFFFAOYSA-N 1 0 556.128 5.236 40 0 KKABRO CS(=O)(=O)N(CC(=O)NCc1cccc(C[NH+]2CCCCC2)c1)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000224660810 571597838 /nfs/dbraw/zinc/59/78/38/571597838.db2.gz IJEOCUXCMHKTDF-UHFFFAOYSA-N 1 0 549.781 5.223 40 0 KKABRO Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCc3cccc(C[NH+]4CCCCC4)c3)ccc2C)c1C ZINC000224662918 571598461 /nfs/dbraw/zinc/59/84/61/571598461.db2.gz SEQKAMDJHKMOKD-UHFFFAOYSA-N 1 0 505.684 5.329 40 0 KKABRO Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3cccc(C[NH+]4CCCCC4)c3)ccc2C)cc1C ZINC000224662990 571598524 /nfs/dbraw/zinc/59/85/24/571598524.db2.gz GZVPJLJKRJPDRR-UHFFFAOYSA-N 1 0 505.684 5.329 40 0 KKABRO Cc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cccn3-c3cc[nH+]cc3)cc2)cc1 ZINC000224696412 571606084 /nfs/dbraw/zinc/60/60/84/571606084.db2.gz BCJSZWBKEVXEIQ-WDYNHAJCSA-N 1 0 503.631 6.545 40 0 KKABRO COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cccn3-c3cc[nH+]cc3)cc2)cc1 ZINC000224730562 571612038 /nfs/dbraw/zinc/61/20/38/571612038.db2.gz BBQSVPHJTWOKSP-VMPREFPWSA-N 1 0 519.630 6.245 40 0 KKABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2C[NH+]2CCCC2)c2cccc(Cl)c2C)cc1 ZINC000224764046 571615012 /nfs/dbraw/zinc/61/50/12/571615012.db2.gz FHFCDDWBWREVCR-UHFFFAOYSA-N 1 0 526.102 5.064 40 0 KKABRO Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000224768802 571615322 /nfs/dbraw/zinc/61/53/22/571615322.db2.gz LBNUBZNICOMBJE-UHFFFAOYSA-N 1 0 553.728 5.916 40 0 KKABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2C[NH+]2CCCC2)c2cccc(Cl)c2Cl)cc1 ZINC000224783928 571616759 /nfs/dbraw/zinc/61/67/59/571616759.db2.gz OKUFKZPCXLDWJL-UHFFFAOYSA-N 1 0 546.520 5.409 40 0 KKABRO O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000224809607 571619218 /nfs/dbraw/zinc/61/92/18/571619218.db2.gz NLPBSROJXUUAMI-UHFFFAOYSA-N 1 0 545.627 5.203 40 0 KKABRO Cc1ccc(Cl)cc1N(CC(=O)NCc1ccccc1C[NH+]1CCCCC1)S(=O)(=O)c1ccccc1 ZINC000224810159 571619245 /nfs/dbraw/zinc/61/92/45/571619245.db2.gz HDWVUHRZSLJSPX-UHFFFAOYSA-N 1 0 526.102 5.146 40 0 KKABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2C[NH+]2CCCCC2)c2ccccc2Cl)cc1 ZINC000224811691 571619381 /nfs/dbraw/zinc/61/93/81/571619381.db2.gz AVLINWOUXSADBT-UHFFFAOYSA-N 1 0 526.102 5.146 40 0 KKABRO Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000224817428 571619901 /nfs/dbraw/zinc/61/99/01/571619901.db2.gz DHHLZBXGBWEGNX-UHFFFAOYSA-N 1 0 602.200 6.960 40 0 KKABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2C[NH+]2CCCCC2)c2cccc(C)c2C)cc1 ZINC000224817885 571619944 /nfs/dbraw/zinc/61/99/44/571619944.db2.gz GLBWEDPMSZRBJA-UHFFFAOYSA-N 1 0 519.711 5.109 40 0 KKABRO CCOc1ccccc1N(CC(=O)NCc1ccccc1C[NH+]1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224819486 571620141 /nfs/dbraw/zinc/62/01/41/571620141.db2.gz IIHWQIVMRGWANY-UHFFFAOYSA-N 1 0 556.128 5.236 40 0 KKABRO Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)NCc3ccccc3C[NH+]3CCCCC3)ccc2C)c1 ZINC000224822626 571620438 /nfs/dbraw/zinc/62/04/38/571620438.db2.gz OEELEQZMYVTOKQ-UHFFFAOYSA-N 1 0 505.684 5.329 40 0 KKABRO Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)NCc3ccccc3C[NH+]3CCCCC3)c2)cc1 ZINC000224835953 571621864 /nfs/dbraw/zinc/62/18/64/571621864.db2.gz JAOZZQDAFVWYTJ-UHFFFAOYSA-N 1 0 512.075 5.365 40 0 KKABRO Cc1cc(C)cc(N(Cc2ccc(C(=O)NCc3ccccc3C[NH+]3CCCCC3)cc2)S(C)(=O)=O)c1 ZINC000224847852 571622846 /nfs/dbraw/zinc/62/28/46/571622846.db2.gz GKWIOTVVGVWZEO-UHFFFAOYSA-N 1 0 519.711 5.186 40 0 KKABRO CC(C)C(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cc[nH+]cc2)cc1Cl ZINC000225123765 571649705 /nfs/dbraw/zinc/64/97/05/571649705.db2.gz VMVVDIOBPUUHGC-DQEYMECFSA-N 1 0 517.058 5.692 40 0 KKABRO CC(C)(C)c1ccc2c(c1)N(S(=O)(=O)c1ccccc1)C[C@H](C(=O)NCc1cccc(C[NH+]3CCCCC3)c1)O2 ZINC000260894977 571812908 /nfs/dbraw/zinc/81/29/08/571812908.db2.gz GYLHTLWJJSPZKD-SSEXGKCCSA-N 1 0 561.748 5.243 40 0 KKABRO CC(C)(C)C[C@H]1[N@@H+]2[C@@H](C(=O)O[C@@H](c3ccccc3)[C@@H]2c2ccccc2)[C@@H](c2cccc(Cl)c2F)[C@@]12C(=O)Nc1cc(Cl)ccc12 ZINC000225491576 571861544 /nfs/dbraw/zinc/86/15/44/571861544.db2.gz RPMFQFBFADLWIT-YKGUGZBMSA-N 1 0 643.586 8.635 40 0 KKABRO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@@H](C)C[C@H](C)C3)c(Cl)c2)c(C)n1CCC[NH+]1CCOCC1 ZINC000260925689 571865140 /nfs/dbraw/zinc/86/51/40/571865140.db2.gz WUNHBZBHICCTCD-NSYRJYHTSA-N 1 0 621.295 6.535 40 0 KKABRO C[C@@H]1CCC[N@H+](CCCOc2ccc(NC(=O)C3(c4ccc(Cl)cc4Cl)CCOCC3)cc2)C1 ZINC000225582583 571941701 /nfs/dbraw/zinc/94/17/01/571941701.db2.gz UYGDFHXAQHYTOL-HXUWFJFHSA-N 1 0 505.486 6.181 40 0 KKABRO C[NH+](C)CCCNc1nc(Nc2cc(Cl)cc(Cl)c2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329012087 572149010 /nfs/dbraw/zinc/14/90/10/572149010.db2.gz MIWZLYCDKCIYAW-UHFFFAOYSA-N 1 0 500.352 5.300 40 0 KKABRO COc1cccc([C@@H]2N[C@H](c3cccc(OC)c3)C3C(=O)C2[C@H](c2cccc(OC)c2)N[C@@H]3c2cccc(OC)c2)c1 ZINC000230312020 572185978 /nfs/dbraw/zinc/18/59/78/572185978.db2.gz CSZKULCODFRMIR-LLSWJAHXSA-N 1 0 564.682 5.994 40 0 KKABRO Cc1cc(C[N@H+]2CCC[C@@](COc3ccc(Cl)c(C)c3)(CC(=O)N3CCN(C)CC3)C2)c(C)s1 ZINC000257202438 572306602 /nfs/dbraw/zinc/30/66/02/572306602.db2.gz ALUCUSBBOHCNHD-HHHXNRCGSA-N 1 0 504.140 5.152 40 0 KKABRO CC(C)(C)n1ccc([C@@H]2C[C@@H](C(=O)Nc3ccc(C(F)(F)F)cc3)[NH2+][C@H]2c2ccc(Cl)c(F)c2)n1 ZINC000257203971 572306687 /nfs/dbraw/zinc/30/66/87/572306687.db2.gz ASKUUDMSOAQUTQ-HSQYWUDLSA-N 1 0 508.947 6.275 40 0 KKABRO Cc1cc(OC[C@]2(CC(=O)N(C)Cc3ccccc3)CCC[N@H+](Cc3ccc4[nH]ccc4c3)C2)ccc1Cl ZINC000257208668 572307057 /nfs/dbraw/zinc/30/70/57/572307057.db2.gz BNCVKIRNRMVIOQ-YTTGMZPUSA-N 1 0 530.112 6.840 40 0 KKABRO CC(C)(C)C1CCC(NC(=O)[C@@H]2C[C@H](c3ccn(C(C)(C)C)n3)[C@H](c3cccc(C(F)(F)F)c3)[NH2+]2)CC1 ZINC000257224177 572308631 /nfs/dbraw/zinc/30/86/31/572308631.db2.gz FAPSXCQXSDFRHN-VDAMFIKVSA-N 1 0 518.668 6.565 40 0 KKABRO CC(C)(C)OC(=O)n1cc(-c2cccc(C[NH+]3CCCC3)c2)c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 ZINC000257245911 572310623 /nfs/dbraw/zinc/31/06/23/572310623.db2.gz IRQBPBRCLKSXCR-QHCPKHFHSA-N 1 0 510.679 6.044 40 0 KKABRO Cc1cccnc1C[N@H+]1CCC[C@](COc2ccc(Cl)c(C)c2)(CC(=O)N(C)Cc2ccccc2)C1 ZINC000257252754 572311305 /nfs/dbraw/zinc/31/13/05/572311305.db2.gz JWAROIKWIURMJJ-PMERELPUSA-N 1 0 506.090 6.062 40 0 KKABRO CC(C)[NH+]1CCC(C(=O)N2CCC[C@](COc3cccc(Cl)c3)(CC(=O)N(C)Cc3ccccc3)C2)CC1 ZINC000257257617 572311800 /nfs/dbraw/zinc/31/18/00/572311800.db2.gz KQKUNGVFFFKOQN-HKBQPEDESA-N 1 0 540.148 5.497 40 0 KKABRO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@H+](CCc2c[nH]c3ccccc23)Cc2cc(Cl)ccc2Cl)C1 ZINC000257262155 572312161 /nfs/dbraw/zinc/31/21/61/572312161.db2.gz LKIHOSVOJQVZAA-VSGBNLITSA-N 1 0 538.475 5.901 40 0 KKABRO Cc1cc(OC[C@]2(CC(=O)N3CCOCC3)CCC[N@@H+](Cc3cn(C)c4ccccc34)C2)ccc1Cl ZINC000257266006 572312542 /nfs/dbraw/zinc/31/25/42/572312542.db2.gz MBFAYPWGWSMELE-LJAQVGFWSA-N 1 0 510.078 5.050 40 0 KKABRO CC(C)(C)n1ccc([C@@H]2C[C@@H](C(=O)NC34CC5(C)CC(C)(CC(C)(C5)C3)C4)[NH2+][C@H]2c2ccc(Cl)c(F)c2)n1 ZINC000257277641 572313572 /nfs/dbraw/zinc/31/35/72/572313572.db2.gz NYVANURBNNZNQY-NIOJQUOYSA-N 1 0 541.155 6.873 40 0 KKABRO CC(C)CCC1(C(=O)NCC[NH+](C)C)CCN(C(=O)c2ccc3c(c2)[C@@H]2O[C@H](Cc4ccc(F)cc4)CC[C@H]2C(C)(C)O3)CC1 ZINC000257279935 572313710 /nfs/dbraw/zinc/31/37/10/572313710.db2.gz OITXDFGREYLLKV-VLDRXUDMSA-N 1 0 621.838 6.412 40 0 KKABRO COc1ccc(C[N@@H+]2CCC[C@@](COc3ccc(Cl)c(C)c3)(CC(=O)N(C)Cc3ccccc3)C2)cc1CO ZINC000257285087 572314365 /nfs/dbraw/zinc/31/43/65/572314365.db2.gz PFOZVPPDPONOPB-JGCGQSQUSA-N 1 0 551.127 5.859 40 0 KKABRO CCc1cccc2c(C[N@@H+]3CCC[C@@](COc4ccc(Cl)c(C)c4)(CC(=O)N4CCOCC4)C3)cn(C)c21 ZINC000257285441 572314433 /nfs/dbraw/zinc/31/44/33/572314433.db2.gz PHCBTNDUZCDGIO-WJOKGBTCSA-N 1 0 538.132 5.613 40 0 KKABRO CC(C)(C)n1ccc([C@H]2C[C@@H](C(=O)Nc3ccc(OC(F)(F)F)cc3)[NH2+][C@H]2c2ccc(Cl)c(F)c2)n1 ZINC000257293243 572315131 /nfs/dbraw/zinc/31/51/31/572315131.db2.gz QORTTYKDRVMTJG-WTNAPCKOSA-N 1 0 524.946 6.155 40 0 KKABRO CC(C)=CCOc1cc2c(cc1C[N@H+](CCCN1CCOCC1)Cc1cccc(Cl)c1)OC(C)(C)[C@H]1CC[C@H](C)O[C@H]21 ZINC000257293288 572315180 /nfs/dbraw/zinc/31/51/80/572315180.db2.gz QOWSXUKUOXZVKU-VEQLFVSISA-N 1 0 597.240 7.437 40 0 KKABRO Cc1cc(C[N@H+]2CCC[C@@](COc3ccc(Cl)c(C)c3)(CC(=O)N(C)Cc3ccccc3)C2)c(C)n1Cc1ccccc1 ZINC000257293289 572315191 /nfs/dbraw/zinc/31/51/91/572315191.db2.gz 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ZINC000408710407 1069734852 /nfs/dbraw/zinc/73/48/52/1069734852.db2.gz NNTHJFGQAPZZOU-UHFFFAOYSA-N 1 0 552.018 6.010 40 0 KKABRO O=C(Nc1ccc(CSc2ccccc2)cc1)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000408922048 1070229701 /nfs/dbraw/zinc/22/97/01/1070229701.db2.gz DRCZEQWWOLAZRK-UHFFFAOYSA-N 1 0 506.715 7.686 40 0 KKABRO Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(CN4CC[NH+](Cc5ccccc5)CC4)cc3)cc2)cc1C ZINC000408926486 1070239004 /nfs/dbraw/zinc/23/90/04/1070239004.db2.gz YEZCFTKZQJKXBH-UHFFFAOYSA-N 1 0 568.743 5.674 40 0 KKABRO O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1)c1ccc(C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000408923965 1070241300 /nfs/dbraw/zinc/24/13/00/1070241300.db2.gz ISWSARVIGGBICY-UHFFFAOYSA-N 1 0 605.558 5.824 40 0 KKABRO CN(Cc1ccccc1)C(=O)CC1(COc2ccccc2)CC[NH+](Cc2cnn(C3CCCCC3)c2)CC1 ZINC000585269668 1071016397 /nfs/dbraw/zinc/01/63/97/1071016397.db2.gz HOSBGDFBUDLTSK-UHFFFAOYSA-N 1 0 514.714 6.098 40 0 KKABRO OCC[N@@H+](Cc1ccc(OCc2ccccn2)cc1)C[C@H](O)CN1c2ccccc2Sc2ccccc21 ZINC000585269875 1071016657 /nfs/dbraw/zinc/01/66/57/1071016657.db2.gz OBIOXKDJIUZQEJ-VWLOTQADSA-N 1 0 513.663 5.119 40 0 KKABRO CCc1nccn1CCCOc1ccc(C[N@@H+]2CCC[C@](O)(COc3cc(C)ccc3Cl)C2)cc1OC ZINC000585270041 1071021883 /nfs/dbraw/zinc/02/18/83/1071021883.db2.gz BAJLUUXKZXSSPE-GDLZYMKVSA-N 1 0 528.093 5.291 40 0 KKABRO COc1cc(C[N@@H+]2CCC[C@](COc3ccc(C)cc3)(OC)CC2)ccc1OCCCn1ccnc1C ZINC000585270081 1071022087 /nfs/dbraw/zinc/02/20/87/1071022087.db2.gz BPKZJBWVMTTWBZ-PMERELPUSA-N 1 0 507.675 5.428 40 0 KKABRO COc1ccc(C[NH+]2CCC(COc3ccc(C)cc3C)(OC)CC2)cc1OCCCn1ccnc1C ZINC000585271813 1071022940 /nfs/dbraw/zinc/02/29/40/1071022940.db2.gz OSYYAQCRCVZGGW-UHFFFAOYSA-N 1 0 507.675 5.346 40 0 KKABRO Cn1ccnc1COc1ccc(C[NH2+][C@H]2CCC[C@H]3N(C(=O)OC(C)(C)C)[C@@H](c4ccc(F)cc4)C[C@@]3(C)[C@@H]2O)cc1 ZINC000585271507 1071024288 /nfs/dbraw/zinc/02/42/88/1071024288.db2.gz ZLANSCMNWZBMJC-SPTNCENMSA-N 1 0 578.729 5.898 40 0 KKABRO COc1ccc(C[NH+]2CCC(COc3ccc(Cl)c(Cl)c3)(OC)CC2)cc1OCCn1ccnc1 ZINC000585272428 1071029188 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FLLARPPTLDTLLO-URBDOXFBSA-N 1 0 544.711 7.347 40 0 KKABRO Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C[NH+]4CCC(Cc5ccccc5)CC4)cc3)cc2)c1 ZINC000408921169 1071097078 /nfs/dbraw/zinc/09/70/78/1071097078.db2.gz UEWGLMUKDMVYHB-UHFFFAOYSA-N 1 0 567.755 6.811 40 0 KKABRO Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(CN4CC[NH+](Cc5ccccc5)CC4)cc3)cc2)c1 ZINC000408920994 1071097867 /nfs/dbraw/zinc/09/78/67/1071097867.db2.gz QLULLUYGIHVYBN-UHFFFAOYSA-N 1 0 554.716 5.366 40 0 KKABRO O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000408920587 1071103675 /nfs/dbraw/zinc/10/36/75/1071103675.db2.gz JOSHPPSZMGILOI-UHFFFAOYSA-N 1 0 618.597 6.957 40 0 KKABRO Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(C[NH+]3CCC(Cc4ccccc4)CC3)cc2)cc1 ZINC000408920250 1071106706 /nfs/dbraw/zinc/10/67/06/1071106706.db2.gz CYKZUUGVEJGQLR-UHFFFAOYSA-N 1 0 588.173 7.156 40 0 KKABRO CC(C)Oc1ccc(C(=O)[C@H]2[C@H](C(=O)c3cccs3)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000102370278 1071307095 /nfs/dbraw/zinc/30/70/95/1071307095.db2.gz JZSUNOCFUSEVEY-NGTMZHBCSA-N 1 0 560.675 6.517 40 0 KKABRO Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(S(=O)(=O)Nc4cccc(Cl)c4Cl)cc3)CC2)cc1 ZINC000408710418 1071507624 /nfs/dbraw/zinc/50/76/24/1071507624.db2.gz UGVKYOQIGAVBKC-UHFFFAOYSA-N 1 0 532.493 5.953 40 0 KKABRO O=C(N[C@H]1C(=O)N/[N+](=C\c2ccc(Cl)cc2Cl)[C@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000409055198 1071929481 /nfs/dbraw/zinc/92/94/81/1071929481.db2.gz KLDWYVOTAXIQIQ-RYYIMKFMSA-O 1 0 508.212 5.316 40 0 KKABRO O=C(CN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccccc1)N1CCN(Cc2ccccc2)CC1 ZINC000409407798 1072819740 /nfs/dbraw/zinc/81/97/40/1072819740.db2.gz AAHYKKXGQMVWKX-UHFFFAOYSA-N 1 0 541.673 5.019 40 0 KKABRO COc1cc(C[N@@H+]2CC[C@H]3CC(=O)N(CC4CCC(F)(F)CC4)C[C@H](O)C(C)(C)COCCC[C@H]3C2)cc(OC)c1OC ZINC001534613107 1073171962 /nfs/dbraw/zinc/17/19/62/1073171962.db2.gz PLYPKFTXCHSMRD-ZEZDXWPOSA-N 1 0 610.783 5.392 40 0 KKABRO COc1ccc(CCN2C[C@H](O)C(C)(C)COCCC[C@H]3C[N@H+](Cc4ccccc4C(F)(F)F)CC[C@H]3CC2=O)cc1 ZINC001534611612 1073172012 /nfs/dbraw/zinc/17/20/12/1073172012.db2.gz BBNXQXFXTNBYOT-JCGRVDTESA-N 1 0 590.727 5.811 40 0 KKABRO COc1ccc(CCN2C[C@H](O)C(C)(C)COCCC[C@H]3C[N@H+](Cc4ccc(Cl)c(F)c4)CC[C@H]3CC2=O)cc1 ZINC001534613314 1073172203 /nfs/dbraw/zinc/17/22/03/1073172203.db2.gz RWDPSYRXROKAMG-JCGRVDTESA-N 1 0 575.165 5.585 40 0 KKABRO O=C1C[C@@H]2CC[N@H+](Cc3cc(-c4ccccc4)no3)C[C@@H]2CCOc2ccc(C3CCOCC3)cc2N1 ZINC001534646680 1073172818 /nfs/dbraw/zinc/17/28/18/1073172818.db2.gz OJXPEFDPJOWLKK-DQEYMECFSA-N 1 0 501.627 5.485 40 0 KKABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c2ccc(Cl)c(Cl)c2)cc1 ZINC000224504725 193950848 /nfs/dbraw/zinc/95/08/48/193950848.db2.gz ZZLHUGJDNPPHCT-UHFFFAOYSA-N 1 0 546.520 5.409 40 0 KKABRO COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCc3ccc(C[NH+]4CCCCC4)cc3)Oc3ccc(C(C)(C)C)cc32)cc1 ZINC000224525237 193962480 /nfs/dbraw/zinc/96/24/80/193962480.db2.gz BAQQSZGVYDBBIQ-HKBQPEDESA-N 1 0 591.774 5.251 40 0 KKABRO CC[C@H](c1nnnn1Cc1ccccc1)N(Cc1ccc(C)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374490 551654098 /nfs/dbraw/zinc/65/40/98/551654098.db2.gz QAAHJUWSTAISNV-MUUNZHRXSA-N 1 0 508.626 5.033 40 0 KKABRO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)N(Cc1ccc(F)cc1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000001374947 551655593 /nfs/dbraw/zinc/65/55/93/551655593.db2.gz ARMYRWJMOJDVDP-SANMLTNESA-N 1 0 560.605 5.012 40 0 KKABRO CC[C@@H](c1nnnn1C(C)(C)CC)N(Cc1ccc2c(c1)OCO2)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000001375229 551656526 /nfs/dbraw/zinc/65/65/26/551656526.db2.gz IHBOSGINEXRPKK-DEOSSOPVSA-N 1 0 516.646 5.159 40 0 KKABRO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)N(Cc1ccc2c(c1)OCO2)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000001375443 551656866 /nfs/dbraw/zinc/65/68/66/551656866.db2.gz OKGKLGSMAXBIGB-MHZLTWQESA-N 1 0 566.662 5.071 40 0 KKABRO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)N(Cc1ccc2c(c1)OCO2)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000001375444 551656949 /nfs/dbraw/zinc/65/69/49/551656949.db2.gz OKGKLGSMAXBIGB-HHHXNRCGSA-N 1 0 566.662 5.071 40 0 KKABRO CCOc1ccc(Nc2nc(C(Cl)(Cl)Cl)cc(C(Cl)(Cl)Cl)n2)cc1C[NH+](CC)CC ZINC000001555866 551684311 /nfs/dbraw/zinc/68/43/11/551684311.db2.gz XDJGBHKCDKLOAM-UHFFFAOYSA-N 1 0 535.130 7.114 40 0 KKABRO COc1ccc(/C(Cl)=C(\c2ccc(OCC[NH+](C)C)cc2)c2ccc(OC(=O)C(C)(C)C)cc2)cc1 ZINC000001629229 551686788 /nfs/dbraw/zinc/68/67/88/551686788.db2.gz WVMNYAPPPKRJIH-DQSJHHFOSA-N 1 0 508.058 6.743 40 0 KKABRO CCCCCCN(Cc1ccc(CC(C)(C)C)cc1)C(=[NH+]c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C1C(=O)OC(C)(C)OC1=O ZINC000003922701 552422467 /nfs/dbraw/zinc/42/24/67/552422467.db2.gz HGLFNRGXRCKGSW-UHFFFAOYSA-N 1 0 634.902 9.118 40 0 in-man KKABRO CC(C)(C)OC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]([NH3+])CSC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000005119221 552494060 /nfs/dbraw/zinc/49/40/60/552494060.db2.gz OXDYVXYZOPLSHL-ZWXJPIIXSA-N 1 0 623.819 5.224 40 0 KKABRO COc1cc2ccnc([C@]3(OC(=O)c4ccccc4)CC[N@@H+]4CCc5cc(OC)c(OC)cc5[C@@H]4C3)c2cc1OC ZINC000005372554 552500083 /nfs/dbraw/zinc/50/00/83/552500083.db2.gz BFWMMRHBHRTHRY-UBOZLPQGSA-N 1 0 554.643 5.715 40 0 KKABRO CC[NH+](CC)CCN(C(=O)c1ccc(-c2ccccc2)[nH]1)[C@H](C(=O)NC1CCCCC1)c1ccncc1 ZINC000006078400 552529841 /nfs/dbraw/zinc/52/98/41/552529841.db2.gz ONRXSZRRTCLZDN-NDEPHWFRSA-N 1 0 501.675 5.051 40 0 KKABRO CC[NH+](CC)CCCN(C(=O)c1ccc(-c2ccccc2)[nH]1)[C@@H](C(=O)NC1CCCCC1)c1ccco1 ZINC000006511249 552597285 /nfs/dbraw/zinc/59/72/85/552597285.db2.gz SIDCSMMFJRCSIF-MUUNZHRXSA-N 1 0 504.675 5.639 40 0 KKABRO COC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2C[C@@H]([NH2+]CCCn3ccnc3)C[C@@H](c3cccc(Cl)c3)N21 ZINC000008636151 553105151 /nfs/dbraw/zinc/10/51/51/553105151.db2.gz BVPHRPMEDBYASG-VPIUVCPKSA-N 1 0 518.061 5.042 40 0 biogenic,in-vitro KKABRO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)C[n+]1c2ccccc2n(C)c1COc1ccc(Br)cc1 ZINC000008763975 553138144 /nfs/dbraw/zinc/13/81/44/553138144.db2.gz BJYBBFVRKCVANY-RZTXVSJASA-N 1 0 514.484 5.811 40 0 KKABRO O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000009063425 553205517 /nfs/dbraw/zinc/20/55/17/553205517.db2.gz VZVXBWHEHLFZDX-UHFFFAOYSA-N 1 0 518.466 5.645 40 0 KKABRO O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000009063519 553205553 /nfs/dbraw/zinc/20/55/53/553205553.db2.gz XUUNHJZSWNCNPR-UHFFFAOYSA-N 1 0 502.011 5.131 40 0 KKABRO O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000009063517 553205598 /nfs/dbraw/zinc/20/55/98/553205598.db2.gz AMJSFCURGPHVAY-UHFFFAOYSA-N 1 0 502.011 5.131 40 0 KKABRO Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)C3CC[NH+](Cc4ccccc4F)CC3)cc2)cc1Cl ZINC000009063520 553205601 /nfs/dbraw/zinc/20/56/01/553205601.db2.gz FGWUAKXWOVLOAW-UHFFFAOYSA-N 1 0 516.038 5.439 40 0 KKABRO O=C1c2cccc3cccc(c32)C(=O)N1CC1CC[NH+](C[C@H](O)COCCC23CC4CC(CC(C4)C2)C3)CC1 ZINC000012170545 553353210 /nfs/dbraw/zinc/35/32/10/553353210.db2.gz HXIWYRIKTGIHGX-KVAXISOYSA-N 1 0 530.709 5.132 40 0 KKABRO COc1ccccc1CN(C(=O)c1cc2sccc2n1Cc1ccccc1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000013083077 553445187 /nfs/dbraw/zinc/44/51/87/553445187.db2.gz NWUSQWQCRGHUPK-UHFFFAOYSA-N 1 0 515.723 6.711 40 0 KKABRO CCOc1ccc2[nH]c(=O)c(CN(Cc3ccc(C)cc3)[C@@H](CC)c3nnnn3C3CCCCC3)cc2c1 ZINC000013494851 553460668 /nfs/dbraw/zinc/46/06/68/553460668.db2.gz UBKGTFVXSBHIGK-NDEPHWFRSA-N 1 0 514.674 5.880 40 0 KKABRO CC[C@H](c1nnnn1C1CCCCC1)N(Cc1ccc(OC)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495108 553461303 /nfs/dbraw/zinc/46/13/03/553461303.db2.gz HPXKKBWLOAMDPE-AREMUKBSSA-N 1 0 500.647 5.490 40 0 KKABRO CC[C@@H](c1nnnn1C1CCCCC1)N(Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013495087 553461339 /nfs/dbraw/zinc/46/13/39/553461339.db2.gz NBAXXWDOIMKSNI-DEOSSOPVSA-N 1 0 518.593 5.041 40 0 KKABRO C[NH+]1CCN(c2ccc(NC(=S)NC(=O)C=Cc3ccc(-c4ccc(Cl)cc4Cl)o3)cc2)CC1 ZINC000014277241 553510066 /nfs/dbraw/zinc/51/00/66/553510066.db2.gz MMVQGARTUJPXRU-DHZHZOJOSA-N 1 0 515.466 5.532 40 0 KKABRO CC[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3ccc(-c4cc(Cl)ccc4Cl)o3)cc2)CC1 ZINC000014277255 553510167 /nfs/dbraw/zinc/51/01/67/553510167.db2.gz CYRRJCGMXQOICX-UHFFFAOYSA-N 1 0 503.455 5.522 40 0 KKABRO FC(F)(F)Oc1ccc(Nc2nc(Cl)nc(N3CC[NH+](C45CC6CC(CC(C6)C4)C5)CC3)n2)cc1 ZINC000015303865 553530992 /nfs/dbraw/zinc/53/09/92/553530992.db2.gz IDOYHPCVRZGVED-UHFFFAOYSA-N 1 0 508.976 5.258 40 0 KKABRO CCOC(=O)C1CC[NH+]([C@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)c2ccc(OC)cc2)CC1 ZINC000015441036 553533306 /nfs/dbraw/zinc/53/33/06/553533306.db2.gz RYBZQSSVKQIOAF-SANMLTNESA-N 1 0 506.668 5.990 40 0 KKABRO CCOC(=O)C1CC[NH+]([C@@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)c2ccc(OCC)cc2)CC1 ZINC000015441064 553533313 /nfs/dbraw/zinc/53/33/13/553533313.db2.gz ALFZDKGXOQKKCE-HHHXNRCGSA-N 1 0 520.695 6.380 40 0 KKABRO Cc1ccc(S[C@@]2(C[NH+]3CCCC3)COc3c(Br)cc(Br)cc3C2=O)cc1 ZINC000016310833 553559752 /nfs/dbraw/zinc/55/97/52/553559752.db2.gz NBZVUOHCYVEGDE-NRFANRHFSA-N 1 0 511.279 5.722 40 0 KKABRO COc1cc(C[NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)cc(Br)c1OCc1ccccc1F ZINC000016605779 553568807 /nfs/dbraw/zinc/56/88/07/553568807.db2.gz QWRFOCJDUDMNLR-YFKJYVEOSA-N 1 0 502.468 7.014 40 0 KKABRO COc1cc(C[NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)cc(Br)c1OCc1ccccc1Cl ZINC000016605773 553568824 /nfs/dbraw/zinc/56/88/24/553568824.db2.gz QZXJCFYNINGJPC-YFKJYVEOSA-N 1 0 518.923 7.529 40 0 KKABRO CCOc1cc(C[NH2+]Cc2ccc3c(c2)OCO3)cc(Br)c1OCc1ccccc1Cl ZINC000016688674 553573176 /nfs/dbraw/zinc/57/31/76/553573176.db2.gz SPQDYJHWEYVTTI-UHFFFAOYSA-N 1 0 504.808 6.099 40 0 KKABRO CCOc1cc(C[NH2+]CCc2c[nH]c3ccccc23)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000016688578 553573257 /nfs/dbraw/zinc/57/32/57/553573257.db2.gz BUJOMZNIAMFXJR-UHFFFAOYSA-N 1 0 503.857 7.438 40 0 KKABRO COc1cc(OC)c(/C=C/c2cc(/C=C\c3c(OC)cc(OC)cc3OC)c3ccccc3[n+]2C)c(OC)c1 ZINC000017045963 553587387 /nfs/dbraw/zinc/58/73/87/553587387.db2.gz VTFLLPQVYRMIBD-PMJBJKLVSA-N 1 0 528.625 6.057 40 0 KKABRO CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)[C@@H]3C[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](COc2ccc3c(c2)OCO3)C1 ZINC000070687330 553606721 /nfs/dbraw/zinc/60/67/21/553606721.db2.gz JGPPKNUAZRWESR-UGQYTLSESA-N 1 0 561.694 6.497 40 0 KKABRO COc1ccc2c(c1)NC1(CC[NH+](CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c1cccn1-2 ZINC000072336305 553650969 /nfs/dbraw/zinc/65/09/69/553650969.db2.gz WRLBRFXDJQQZSE-UHFFFAOYSA-N 1 0 513.632 7.093 40 0 KKABRO COc1ccccc1C[NH+](Cc1ccccc1OC)C[C@@H]1C=C(C)[C@H](Cc2nc3c(cccc3C)[nH]2)C[C@H]1C(C)C ZINC000077262092 553655233 /nfs/dbraw/zinc/65/52/33/553655233.db2.gz ZDQRMYHRUPZHQB-CHQNGUEUSA-N 1 0 551.775 7.988 40 0 biogenic,in-vitro KKABRO COc1ccccc1OCC[NH2+]C[C@H](O)COc1cccc2c1c1ccccc1n2C[C@@H](O)COc1cccc2[nH]c3ccccc3c21 ZINC000077285261 553657827 /nfs/dbraw/zinc/65/78/27/553657827.db2.gz USBVSUHNTUBUMY-RRPNLBNLSA-N 1 0 645.756 6.286 40 0 in-vitro KKABRO O=C(Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000020060822 553672707 /nfs/dbraw/zinc/67/27/07/553672707.db2.gz TZDKSKULKMGRJO-UHFFFAOYSA-N 1 0 515.610 5.437 40 0 KKABRO COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3cc(c(OC)cc3CC[N@@H+]1C)Oc1c(O)c(OC)cc3c1[C@H](C2)N(C)CC3 ZINC000085541034 553683175 /nfs/dbraw/zinc/68/31/75/553683175.db2.gz IIQSJHUEZBTSAT-WDYNHAJCSA-N 1 0 608.735 6.859 40 0 biogenic,in-vitro KKABRO COc1cc(OCc2ccccc2)ccc1OCC[NH2+]C[C@@H](O)COc1cccc2[nH]c3ccccc3c21 ZINC000022051168 553723537 /nfs/dbraw/zinc/72/35/37/553723537.db2.gz WFGLUJVTGHMGCX-HSZRJFAPSA-N 1 0 512.606 5.317 40 0 in-vitro KKABRO CCOc1cc(CNCC[NH+](CC)CC)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000022075527 553725716 /nfs/dbraw/zinc/72/57/16/553725716.db2.gz HJKURUBNDAEAJJ-UHFFFAOYSA-N 1 0 504.296 6.165 40 0 KKABRO COc1cc(C[NH2+]CCSc2nnnn2-c2ccccc2)ccc1OCc1ccc(Cl)cc1Cl ZINC000022107780 553726030 /nfs/dbraw/zinc/72/60/30/553726030.db2.gz IQGKNBHQGJDEOD-UHFFFAOYSA-N 1 0 516.454 5.439 40 0 KKABRO Clc1ccccc1COc1ccc2ccccc2c1C[NH2+]CCSc1nnnn1-c1ccccc1 ZINC000022107822 553726156 /nfs/dbraw/zinc/72/61/56/553726156.db2.gz NUVYEKWHYHGYMM-UHFFFAOYSA-N 1 0 502.043 5.930 40 0 KKABRO CCOc1cc(C[NH2+]CCCSc2nnnn2-c2ccccc2)ccc1OCc1ccccc1Cl ZINC000022108887 553726602 /nfs/dbraw/zinc/72/66/02/553726602.db2.gz MHHQVXUHTBOIIL-UHFFFAOYSA-N 1 0 510.063 5.565 40 0 KKABRO COc1ccc(C(=O)[C@@H]([C@@H](c2ccccc2)[N@@H+]2CCc3ccccc3C2)N2CCc3ccccc3C2)cc1 ZINC000022593912 553747851 /nfs/dbraw/zinc/74/78/51/553747851.db2.gz JKRLPKPFJZYJAE-CZNDPXEESA-N 1 0 502.658 6.104 40 0 KKABRO O=C(NCCCN1CC[NH+](CCCNC(=O)Nc2cccc3ccccc32)CC1)Nc1cccc2ccccc21 ZINC000022864058 553763224 /nfs/dbraw/zinc/76/32/24/553763224.db2.gz JLVXZOXKBTUPCY-UHFFFAOYSA-N 1 0 538.696 5.334 40 0 KKABRO COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)cc2c1 ZINC000022869252 553764520 /nfs/dbraw/zinc/76/45/20/553764520.db2.gz MSTIBCLKTAUYBS-YTTGMZPUSA-N 1 0 575.717 5.135 40 0 KKABRO Cc1cccc2cc([C@H](c3nnnn3C3CCCC3)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c(=O)[nH]c12 ZINC000022872877 553766057 /nfs/dbraw/zinc/76/60/57/553766057.db2.gz HYVWHPZBJZMUCH-JGCGQSQUSA-N 1 0 559.718 5.435 40 0 KKABRO CC(C)C[C@H]1[NH2+][C@@]2(c3ccccc3N(Cc3ccc(Cl)c(Cl)c3)C2=O)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000100178237 554241159 /nfs/dbraw/zinc/24/11/59/554241159.db2.gz SXAGVEHGYUSQRE-ZNGHFDKBSA-N 1 0 562.497 5.555 40 0 KKABRO CCCC[NH2+]CCCOc1ccc(C(=O)c2c(CCCC)oc3ccc(NS(C)(=O)=O)cc32)cc1 ZINC000038432529 554274714 /nfs/dbraw/zinc/27/47/14/554274714.db2.gz IJVZZGIAELTWBB-UHFFFAOYSA-N 1 0 500.661 5.537 40 0 in-vitro KKABRO O=C([C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000038858028 554278201 /nfs/dbraw/zinc/27/82/01/554278201.db2.gz QLIJSTZWDOAJCE-RUZDIDTESA-N 1 0 522.520 6.139 40 0 KKABRO Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(S(=O)(=O)Nc4cc(Cl)ccc4C)cc3)CC2)cc1 ZINC000039745577 554279914 /nfs/dbraw/zinc/27/99/14/554279914.db2.gz CQBXWMDLDSMBHP-UHFFFAOYSA-N 1 0 512.075 5.608 40 0 KKABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c2ccc(C)cc2C)cc1 ZINC000044873611 554306474 /nfs/dbraw/zinc/30/64/74/554306474.db2.gz GEQOVXTVICWZIG-UHFFFAOYSA-N 1 0 519.711 5.109 40 0 KKABRO Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)cc1 ZINC000044903714 554309359 /nfs/dbraw/zinc/30/93/59/554309359.db2.gz GDZDLFYXLHJNCA-UHFFFAOYSA-N 1 0 512.075 5.933 40 0 KKABRO CN(C)c1nc(N[C@H]2CC[C@@H]([NH2+]CCc3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc21 ZINC000100579560 554424770 /nfs/dbraw/zinc/42/47/70/554424770.db2.gz FWKVXHBRMCTKHZ-WGSAOQKQSA-N 1 0 552.439 5.912 40 0 KKABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4cc(Cl)cc(Cl)c4)cc3)cc2)C1 ZINC000060028168 554490747 /nfs/dbraw/zinc/49/07/47/554490747.db2.gz CQXKZDYHZTYQPP-SFHVURJKSA-N 1 0 532.493 6.278 40 0 KKABRO CC1=C[C@@H](C[NH+]2CCN(c3ccccn3)CC2)[C@H](C(C)C)C[C@H]1Cc1nnc(Cc2c[nH]c3ccccc23)o1 ZINC000067890461 554535058 /nfs/dbraw/zinc/53/50/58/554535058.db2.gz BIBFAVCPPVZBGF-MPYJOUPCSA-N 1 0 524.713 5.756 40 0 biogenic,in-vitro KKABRO Cc1ccc(S[C@@]2(C[NH+]3CCCCC3)COc3c(Br)cc(Br)cc3C2=O)cc1 ZINC000100954822 554538976 /nfs/dbraw/zinc/53/89/76/554538976.db2.gz QYFIVAQGGQYEBW-QFIPXVFZSA-N 1 0 525.306 6.112 40 0 KKABRO Cc1ccc(S[C@@]2(C[NH+]3CCCC3)COc3c(Br)c(C)c(Br)cc3C2=O)cc1 ZINC000100959150 554541979 /nfs/dbraw/zinc/54/19/79/554541979.db2.gz OLASTMRCJFYUPZ-QFIPXVFZSA-N 1 0 525.306 6.030 40 0 KKABRO COc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000100994415 554550532 /nfs/dbraw/zinc/55/05/32/554550532.db2.gz NZZOGXZESCONKN-UHFFFAOYSA-N 1 0 551.694 7.008 40 0 KKABRO Cc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000100994401 554550599 /nfs/dbraw/zinc/55/05/99/554550599.db2.gz XXYPDKWPGXHVAA-UHFFFAOYSA-N 1 0 535.695 7.308 40 0 KKABRO Fc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000100994432 554550607 /nfs/dbraw/zinc/55/06/07/554550607.db2.gz JBVPZIXJSIDKKY-UHFFFAOYSA-N 1 0 539.658 7.138 40 0 KKABRO Nc1c(-c2nc3ccccc3s2)c(Cc2nc3ccccc3s2)[nH+]c(N2CCOCC2)c1-c1nc2ccccc2s1 ZINC000101658973 554820567 /nfs/dbraw/zinc/82/05/67/554820567.db2.gz WAKPGFMGGMMISP-UHFFFAOYSA-N 1 0 592.775 7.254 40 0 KKABRO Clc1ccc(COc2ccc(Br)cc2C[NH2+]CCCSc2nnnn2-c2ccccc2)c(Cl)c1 ZINC000102558706 554966206 /nfs/dbraw/zinc/96/62/06/554966206.db2.gz HFZBTJANMUKWEQ-UHFFFAOYSA-N 1 0 579.351 6.583 40 0 KKABRO COc1cc(C[NH2+]CCCSc2nnnn2-c2ccccc2)cc(Br)c1OCc1ccccc1F ZINC000102558673 554966318 /nfs/dbraw/zinc/96/63/18/554966318.db2.gz ALFKQDUNJQVDFL-UHFFFAOYSA-N 1 0 558.477 5.424 40 0 KKABRO CCOc1cc(C[NH2+]CCSc2nnnn2-c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000102559336 554966839 /nfs/dbraw/zinc/96/68/39/554966839.db2.gz AJEDULMTKFENDE-UHFFFAOYSA-N 1 0 609.377 6.591 40 0 KKABRO CCOc1cc(C[NH2+]C2C3CC4CC(C3)CC2C4)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000103572166 555450817 /nfs/dbraw/zinc/45/08/17/555450817.db2.gz GGDMEEZFKFQFLC-UHFFFAOYSA-N 1 0 539.341 7.648 40 0 KKABRO COc1ccc(-c2cc([C@H]3C[N@@H+]4CC[C@H]3C[C@@H]4COC(=O)Nc3cccc(C(F)(F)F)c3)n(C)n2)cc1 ZINC000008635875 560106853 /nfs/dbraw/zinc/10/68/53/560106853.db2.gz ZMCIAGWXICINDM-ZEYPLWLESA-N 1 0 514.548 5.541 40 0 biogenic,in-vitro KKABRO CCCOc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccc(Cl)cc3Cl)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000103288036 571361554 /nfs/dbraw/zinc/36/15/54/571361554.db2.gz QYTFWAQAXDFUST-LRXFEKEMSA-N 1 0 623.536 7.764 40 0 KKABRO CCCOc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccc(OC)cc3)N3C=Cc4ccccc4[C@@H]3[C@@]23c2ccccc2NC3=O)cc1 ZINC000103288023 571361586 /nfs/dbraw/zinc/36/15/86/571361586.db2.gz GCVAVYPQFCUTGS-YUIGLEDNSA-N 1 0 584.672 6.466 40 0 KKABRO COc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccccn3)N3C=Cc4ccccc4[C@@H]3[C@@]23c2ccccc2NC3=O)cc1OC ZINC000103529016 571361700 /nfs/dbraw/zinc/36/17/00/571361700.db2.gz SUJODGZTLOJDDP-NGTMZHBCSA-N 1 0 557.606 5.081 40 0 KKABRO NS(=O)(=O)c1ccc(CC[NH2+]Cc2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)cc1 ZINC000105251961 571392338 /nfs/dbraw/zinc/39/23/38/571392338.db2.gz CJYIIJMSZCIKBR-UHFFFAOYSA-N 1 0 544.298 5.315 40 0 KKABRO O=C(NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1cccc(OCc2ccccc2)c1 ZINC000105318443 571400900 /nfs/dbraw/zinc/40/09/00/571400900.db2.gz PSJHUFDFFQPIRG-UHFFFAOYSA-N 1 0 536.701 5.715 40 0 KKABRO Cc1cccc(N(CC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)S(=O)(=O)c2ccccc2)c1 ZINC000107377584 571419971 /nfs/dbraw/zinc/41/99/71/571419971.db2.gz BDGWKIZKZJGUEU-UHFFFAOYSA-N 1 0 539.701 5.124 40 0 KKABRO COc1ccc(CCNC(=O)c2ccccc2NC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1OC ZINC000108527680 571426078 /nfs/dbraw/zinc/42/60/78/571426078.db2.gz MHPLKBKOKHSDOG-UHFFFAOYSA-N 1 0 536.072 5.180 40 0 KKABRO Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)C3CC[NH+](Cc4ccccc4Cl)CC3)cc2)cc1Cl ZINC000108539916 571426179 /nfs/dbraw/zinc/42/61/79/571426179.db2.gz BDPSQAOVMVKXPC-UHFFFAOYSA-N 1 0 532.493 5.953 40 0 KKABRO O=C(Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000108530043 571426200 /nfs/dbraw/zinc/42/62/00/571426200.db2.gz RIWYJTYQZIDJBC-UHFFFAOYSA-N 1 0 552.018 6.010 40 0 KKABRO O=C(Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000108576333 571426377 /nfs/dbraw/zinc/42/63/77/571426377.db2.gz PEKPOOAZSRUBOT-UHFFFAOYSA-N 1 0 552.911 6.298 40 0 KKABRO Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3ccc(N4CC[NH+](Cc5ccccc5)CC4)cc3)o2)cc1Cl ZINC000112237841 571434959 /nfs/dbraw/zinc/43/49/59/571434959.db2.gz UELMLHKKQARTBY-JQIJEIRASA-N 1 0 571.146 6.757 40 0 KKABRO Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)NCCC[NH+]2CCCCCC2)cc1 ZINC000113634096 571441964 /nfs/dbraw/zinc/44/19/64/571441964.db2.gz JRUVFOJZRCMVSA-UHFFFAOYSA-N 1 0 554.156 6.040 40 0 KKABRO CC(=O)O[C@@H]1CC[C@@]2(C)C(=C[C@@H]([NH+]3CCCCC3)[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1 ZINC000123240280 571448188 /nfs/dbraw/zinc/44/81/88/571448188.db2.gz LDLFMTWFFWGZLY-RMJNUPLISA-N 1 0 511.835 8.424 40 0 KKABRO C[NH+](C)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(F)cc2Br)o1 ZINC000223245536 571449925 /nfs/dbraw/zinc/44/99/25/571449925.db2.gz HPVYUFMFFNZFTC-FGZHOGPDSA-N 1 0 503.441 5.167 40 0 KKABRO O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000139870193 571454055 /nfs/dbraw/zinc/45/40/55/571454055.db2.gz WCTMNHPACWUGGE-UHFFFAOYSA-N 1 0 580.072 5.856 40 0 KKABRO CCOc1ccccc1N(CC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000139878574 571454151 /nfs/dbraw/zinc/45/41/51/571454151.db2.gz DPZYZHOXMLYBPM-UHFFFAOYSA-N 1 0 556.128 5.236 40 0 KKABRO CS(=O)(=O)N(CC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000139879633 571454180 /nfs/dbraw/zinc/45/41/80/571454180.db2.gz DRQDQNOZJJLODZ-UHFFFAOYSA-N 1 0 549.781 5.223 40 0 KKABRO CCOc1ccc(N(CC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000139876608 571454204 /nfs/dbraw/zinc/45/42/04/571454204.db2.gz JGXYUSZNJNEPHN-UHFFFAOYSA-N 1 0 600.579 5.345 40 0 KKABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000139873359 571454214 /nfs/dbraw/zinc/45/42/14/571454214.db2.gz HVQZARDBYFXEPV-UHFFFAOYSA-N 1 0 594.099 6.165 40 0 KKABRO COc1ccc([C@@H]2CC(c3ccc(C4=[NH+]N(c5ccccc5)[C@H](c5ccc(OC)cc5OC)C4)cc3)=NN2c2ccccc2)c(OC)c1 ZINC000150390187 571472499 /nfs/dbraw/zinc/47/24/99/571472499.db2.gz RPWSPHJGEIPCPL-UWXQCODUSA-N 1 0 638.768 8.432 40 0 KKABRO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1CCC[NH+]1CCOCC1 ZINC000224363784 571530531 /nfs/dbraw/zinc/53/05/31/571530531.db2.gz WBBQQNHQHSLAGK-FQLXRVMXSA-N 1 0 517.743 5.523 40 0 KKABRO O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224595543 571582802 /nfs/dbraw/zinc/58/28/02/571582802.db2.gz TZEXPGMZEGFYLO-UHFFFAOYSA-N 1 0 532.493 5.101 40 0 KKABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2cccc(C[NH+]3CCCC3)c2)c2cccc(C(F)(F)F)c2)cc1 ZINC000224597137 571583010 /nfs/dbraw/zinc/58/30/10/571583010.db2.gz LQGOQQMUBYOOAS-UHFFFAOYSA-N 1 0 545.627 5.121 40 0 KKABRO Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000224602522 571584393 /nfs/dbraw/zinc/58/43/93/571584393.db2.gz AXJUJWYFYBAGQB-UHFFFAOYSA-N 1 0 588.173 6.570 40 0 KKABRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1 ZINC000224602749 571584402 /nfs/dbraw/zinc/58/44/02/571584402.db2.gz HCRMNDGASLWARY-UHFFFAOYSA-N 1 0 539.701 5.608 40 0 KKABRO CS(=O)(=O)N(Cc1ccc(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1)c1cccc(Cl)c1Cl ZINC000224612122 571586580 /nfs/dbraw/zinc/58/65/80/571586580.db2.gz DIWGRFQSMIERAS-UHFFFAOYSA-N 1 0 546.520 5.485 40 0 KKABRO COc1ccc(Cl)cc1N(CC(=O)NCc1cccc(C[NH+]2CCCCC2)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000224652183 571595806 /nfs/dbraw/zinc/59/58/06/571595806.db2.gz XTTJOFIBGTZJOX-UHFFFAOYSA-N 1 0 556.128 5.155 40 0 KKABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2cccc(C[NH+]3CCCCC3)c2)c2cccc(Cl)c2C)cc1 ZINC000224652440 571595877 /nfs/dbraw/zinc/59/58/77/571595877.db2.gz XOXXKGADPJIPAK-UHFFFAOYSA-N 1 0 540.129 5.454 40 0 KKABRO CCOc1ccccc1N(CC(=O)NCc1cccc(C[NH+]2CCCCC2)c1)S(=O)(=O)c1ccc(SC)cc1 ZINC000224661720 571598132 /nfs/dbraw/zinc/59/81/32/571598132.db2.gz AEFBJMJLNAHEIF-UHFFFAOYSA-N 1 0 567.777 5.305 40 0 KKABRO O=C(NCc1cccc(C[NH+]2CCCCC2)c1)c1ccc([C@@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000224670034 571599487 /nfs/dbraw/zinc/59/94/87/571599487.db2.gz CETYRIDEYHOADU-PMERELPUSA-N 1 0 534.125 6.030 40 0 KKABRO COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cc(C)n(CCC[NH+]4CCOCC4)c3C)cc2)cc1 ZINC000224735022 571612311 /nfs/dbraw/zinc/61/23/11/571612311.db2.gz KHUYJZHWYUVLMF-CZNDPXEESA-N 1 0 597.785 6.200 40 0 KKABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2C[NH+]2CCCC2)c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000224764241 571615001 /nfs/dbraw/zinc/61/50/01/571615001.db2.gz ZUCKSEOHUCJQMC-UHFFFAOYSA-N 1 0 580.072 5.775 40 0 KKABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2C[NH+]2CCCC2)c2cc(Cl)ccc2Cl)cc1 ZINC000224783992 571616764 /nfs/dbraw/zinc/61/67/64/571616764.db2.gz OSLUIMSQEXEYPX-UHFFFAOYSA-N 1 0 546.520 5.409 40 0 KKABRO Cc1c(Cl)cccc1N(CC(=O)NCc1ccccc1C[NH+]1CCCCC1)S(=O)(=O)c1ccccc1 ZINC000224810229 571619254 /nfs/dbraw/zinc/61/92/54/571619254.db2.gz WXRIFVFGZTZEBH-UHFFFAOYSA-N 1 0 526.102 5.146 40 0 KKABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2C[NH+]2CCCCC2)c2ccc(Br)cc2)cc1 ZINC000224811972 571619417 /nfs/dbraw/zinc/61/94/17/571619417.db2.gz WNKOKVURLKGWCN-UHFFFAOYSA-N 1 0 570.553 5.255 40 0 KKABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2C[NH+]2CCCCC2)c2ccc(C)c(Cl)c2)cc1 ZINC000224813037 571619495 /nfs/dbraw/zinc/61/94/95/571619495.db2.gz CKITYRMQDVBQQR-UHFFFAOYSA-N 1 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ZINC000257309102 572316744 /nfs/dbraw/zinc/31/67/44/572316744.db2.gz TZNNAIIEWQHZTM-PMERELPUSA-N 1 0 526.121 5.251 40 0 KKABRO Cc1cc(OC[C@@]2(CC(=O)N3CCN(C)CC3)CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)ccc1Cl ZINC000257313940 572317108 /nfs/dbraw/zinc/31/71/08/572317108.db2.gz UUTCYRVVHAOKAU-HHHXNRCGSA-N 1 0 538.054 5.493 40 0 KKABRO Cc1cc(OC[C@]2(CC(=O)N3CCN(C)CC3)CCC[N@H+](Cc3cccn3-c3ccccc3Cl)C2)ccc1Cl ZINC000257315101 572317221 /nfs/dbraw/zinc/31/72/21/572317221.db2.gz UZXJIKABVPUJJH-HKBQPEDESA-N 1 0 569.577 5.918 40 0 KKABRO Cc1cc(OC[C@@]2(CC(=O)N3CCN(C)CC3)CCC[N@H+](Cc3cccn3-c3ccccc3Cl)C2)ccc1Cl ZINC000257315102 572317279 /nfs/dbraw/zinc/31/72/79/572317279.db2.gz UZXJIKABVPUJJH-WJOKGBTCSA-N 1 0 569.577 5.918 40 0 KKABRO Cc1nn(C)cc1C[N@H+]1CCC[C@](COc2ccc(Cl)c(C)c2)(CC(=O)N(C)Cc2ccccc2)C1 ZINC000257319017 572317657 /nfs/dbraw/zinc/31/76/57/572317657.db2.gz VQISHCVNRCZHQV-LJAQVGFWSA-N 1 0 509.094 5.400 40 0 KKABRO CCc1cccc2c(C[NH+]3CCC(COc4ccccc4)(CC(=O)N(C)Cc4ccccc4)CC3)cn(C)c21 ZINC000257325535 572318332 /nfs/dbraw/zinc/31/83/32/572318332.db2.gz WTJGSTVNHCEPRD-UHFFFAOYSA-N 1 0 523.721 6.451 40 0 KKABRO O=C(OCc1ccccc1)N1C[C@H](O)[C@@H]([N@H+](CCc2c[nH]c3ccccc23)Cc2ccccc2Cl)C1 ZINC000257327870 572318618 /nfs/dbraw/zinc/31/86/18/572318618.db2.gz XDCPBTHKZHNMBN-NSOVKSMOSA-N 1 0 504.030 5.248 40 0 KKABRO CN(Cc1ccccc1)C(=O)CC1(COc2ccccc2)CC[NH+](Cc2cccn2-c2ccccc2Cl)CC1 ZINC000257327615 572318658 /nfs/dbraw/zinc/31/86/58/572318658.db2.gz XCAXGOYXIOOSHK-UHFFFAOYSA-N 1 0 542.123 6.841 40 0 KKABRO COc1cc2c(cc1O)[C@H](Cc1cc(OC)c(OC)cc1Oc1cc3c(cc1OC)-c1c(OC)c(OC)cc4c1[C@@H](C3)N(C)CC4)[N@H+](C)CC2 ZINC000096316256 1069689046 /nfs/dbraw/zinc/68/90/46/1069689046.db2.gz XNEFHBQMDWILRU-URLMMPGGSA-N 1 0 682.814 6.760 40 0 biogenic,in-vitro KKABRO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@@H+]1C[C@H](O)[C@@H](CSc1ccccc1)NC(=O)OCc1ccccc1 ZINC000103659824 1069711202 /nfs/dbraw/zinc/71/12/02/1069711202.db2.gz CADGDESSNWSRRZ-MZJRLMRESA-N 1 0 567.796 5.230 40 0 KKABRO O=C(NCCOCCOCC[NH2+]C(c1ccccc1)(c1ccccc1)c1ccccc1)OCC1c2ccccc2-c2ccccc21 ZINC000669685212 1069805484 /nfs/dbraw/zinc/80/54/84/1069805484.db2.gz NYNCZMUSTWVUDY-UHFFFAOYSA-N 1 0 612.770 7.140 40 0 KKABRO O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)c1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000408920437 1070225886 /nfs/dbraw/zinc/22/58/86/1070225886.db2.gz HPQDPWKPJDJYAK-UHFFFAOYSA-N 1 0 575.134 5.711 40 0 KKABRO O=C(Nc1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000408925207 1070236553 /nfs/dbraw/zinc/23/65/53/1070236553.db2.gz LCTBSIRACAPQTM-UHFFFAOYSA-N 1 0 589.761 7.348 40 0 KKABRO Cc1cc(CSc2ccccc2)ccc1NC(=O)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000408926509 1070238903 /nfs/dbraw/zinc/23/89/03/1070238903.db2.gz UIQZDZPXMTTWAE-UHFFFAOYSA-N 1 0 520.742 7.994 40 0 KKABRO O=C(Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000408923382 1070240670 /nfs/dbraw/zinc/24/06/70/1070240670.db2.gz CGLAIAZITZQATE-UHFFFAOYSA-N 1 0 607.698 7.213 40 0 KKABRO CCOCCOc1ccc(C[NH2+][C@H]2CCC[C@H]3N(C(=O)OC(C)(C)C)[C@@H](c4ccc(F)cc4)C[C@@]3(C)[C@@H]2O)cc1 ZINC000585269607 1071017077 /nfs/dbraw/zinc/01/70/77/1071017077.db2.gz AYJICOLNLCHDBB-STLLHQOUSA-N 1 0 556.719 6.001 40 0 KKABRO CCc1nccn1CCOc1cc(C[NH+]2CCC(COc3ccc(Cl)c(Cl)c3)(OC)CC2)ccc1OC ZINC000585272154 1071017867 /nfs/dbraw/zinc/01/78/67/1071017867.db2.gz QDLCMTMNXIFCQT-UHFFFAOYSA-N 1 0 548.511 5.900 40 0 KKABRO CC(C)(C)OC(=O)N1[C@@H](c2ccc(F)cc2)C[C@]2(C)[C@H]1CCC[C@H]([NH2+]Cc1ccc(OCCF)cc1)[C@H]2O ZINC000585270355 1071020606 /nfs/dbraw/zinc/02/06/06/1071020606.db2.gz VJKOWIMEVMELRP-SWXLDMAGSA-N 1 0 530.656 5.934 40 0 KKABRO O[C@@]1(COc2ccc(Cl)c(Cl)c2)CCC[N@H+](Cc2cccc(OCCCn3ccnc3)c2)CC1 ZINC000585270593 1071018994 /nfs/dbraw/zinc/01/89/94/1071018994.db2.gz GITVBCULQJDSBK-SANMLTNESA-N 1 0 504.458 5.455 40 0 KKABRO CCCCn1cc(C[NH+]2CCC(COc3ccccc3)(CC(=O)N(C)Cc3ccccc3)CC2)c(C)n1 ZINC000585270496 1071019678 /nfs/dbraw/zinc/01/96/78/1071019678.db2.gz XVBYLWZTXZQFLP-UHFFFAOYSA-N 1 0 502.703 5.702 40 0 KKABRO Cc1ccc(OC[C@@]2(O)CCC[N@H+](Cc3cccc(OCCCN4CCCCCC4=O)c3)CC2)c(C)c1 ZINC000585270250 1071019809 /nfs/dbraw/zinc/01/98/09/1071019809.db2.gz ATMVXVSHBKGOOI-WJOKGBTCSA-N 1 0 508.703 5.271 40 0 KKABRO CCc1nccn1CCCOc1ccc(C[N@@H+]2CCC[C@@](O)(COc3cc(C)c(Cl)c(C)c3)C2)cc1OC ZINC000585270202 1071021080 /nfs/dbraw/zinc/02/10/80/1071021080.db2.gz CVXPFORPOPYFMU-PMERELPUSA-N 1 0 542.120 5.599 40 0 KKABRO COc1cc(C[N@@H+]2CCC[C@@](O)(COc3cc(C)ccc3Cl)CC2)ccc1OCCCn1ccnc1 ZINC000585270116 1071021355 /nfs/dbraw/zinc/02/13/55/1071021355.db2.gz BXPSFOUPCHSBBR-NDEPHWFRSA-N 1 0 514.066 5.119 40 0 KKABRO COc1ccc(C[N@@H+]2CCC[C@@](O)(COc3cc(C)c(Cl)c(C)c3)C2)cc1OCCCn1ccnc1C ZINC000585270225 1071021793 /nfs/dbraw/zinc/02/17/93/1071021793.db2.gz DCTZQBDLJWDPPS-LJAQVGFWSA-N 1 0 528.093 5.345 40 0 KKABRO COc1cc(C[N@@H+]2CCC[C@@](COc3ccc(C)cc3)(OC)CC2)ccc1OCCCn1ccnc1C ZINC000585270083 1071022003 /nfs/dbraw/zinc/02/20/03/1071022003.db2.gz BPKZJBWVMTTWBZ-SSEXGKCCSA-N 1 0 507.675 5.428 40 0 KKABRO CCc1nccn1CCCOc1ccc(C[N@@H+]2CCC[C@@](O)(COc3cc(C)ccc3Cl)C2)cc1OC ZINC000585270043 1071022246 /nfs/dbraw/zinc/02/22/46/1071022246.db2.gz BAJLUUXKZXSSPE-LJAQVGFWSA-N 1 0 528.093 5.291 40 0 KKABRO Cc1nccn1CCCOc1ccc(C[N@@H+]2CCC[C@](O)(COc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000585271811 1071023589 /nfs/dbraw/zinc/02/35/89/1071023589.db2.gz CWFGNSTWTGKUJI-HHHXNRCGSA-N 1 0 518.485 5.763 40 0 KKABRO CCc1nccn1CCCOc1ccc(C[N@@H+]2CCC[C@@](O)(COc3ccc(C)cc3)CC2)cc1OC ZINC000585272349 1071029122 /nfs/dbraw/zinc/02/91/22/1071029122.db2.gz SJBQFPVEMJKWPJ-PMERELPUSA-N 1 0 507.675 5.028 40 0 KKABRO Cc1nccn1CCOc1ccc(C[N@@H+]2CCC[C@@](O)(COc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000585274227 1071031198 /nfs/dbraw/zinc/03/11/98/1071031198.db2.gz UOTYXUOYJFKNGG-SANMLTNESA-N 1 0 504.458 5.373 40 0 KKABRO CCc1nccn1CCOc1ccc(C[NH+]2CCC(COc3ccc(C)cc3C)(OC)CC2)cc1OC ZINC000585272418 1071029473 /nfs/dbraw/zinc/02/94/73/1071029473.db2.gz SYFYDNLJQOTZIH-UHFFFAOYSA-N 1 0 507.675 5.210 40 0 KKABRO COc1ccc(C[NH+]2CCC(COc3cccc(Cl)c3)(OC)CC2)cc1OCCCn1ccnc1C ZINC000585273286 1071030070 /nfs/dbraw/zinc/03/00/70/1071030070.db2.gz ZBPOZESLVYAGLK-UHFFFAOYSA-N 1 0 514.066 5.383 40 0 KKABRO COc1ccc(C[NH+]2CCC(O)(COc3ccc(Cl)c(Cl)c3)CC2)cc1OCCCn1cc(C)cn1 ZINC000585273950 1071030096 /nfs/dbraw/zinc/03/00/96/1071030096.db2.gz GXSOJBQHBMRUNK-UHFFFAOYSA-N 1 0 534.484 5.382 40 0 KKABRO COc1ccc(C[N@@H+]2CCC[C@@](O)(COc3cc(C)c(Cl)c(C)c3)C2)cc1OCCCn1cc(C)cn1 ZINC000585274821 1071030695 /nfs/dbraw/zinc/03/06/95/1071030695.db2.gz OOUIKSNTRVBJDD-LJAQVGFWSA-N 1 0 528.093 5.345 40 0 KKABRO COc1ccc(C[NH+]2CCC(O)(COc3cc(C)c(Cl)c(C)c3)CC2)cc1OCCCn1ccnc1 ZINC000585272865 1071027640 /nfs/dbraw/zinc/02/76/40/1071027640.db2.gz XVZVYAUXXVONJW-UHFFFAOYSA-N 1 0 514.066 5.037 40 0 KKABRO COc1ccc(C[N@@H+]2CCC[C@](O)(COc3ccc(C)cc3C)CC2)cc1OCCCn1ccnc1C ZINC000585272832 1071027856 /nfs/dbraw/zinc/02/78/56/1071027856.db2.gz XJBAADVXTQZVBM-SSEXGKCCSA-N 1 0 507.675 5.082 40 0 KKABRO CCc1nccn1CCOc1cc(C[N@@H+]2CCC[C@](COc3ccccc3F)(OC)CC2)ccc1OC ZINC000585272842 1071027891 /nfs/dbraw/zinc/02/78/91/1071027891.db2.gz XOQWLQDYSGKMPI-LJAQVGFWSA-N 1 0 511.638 5.122 40 0 KKABRO COc1ccc(C[N@@H+]2CCC[C@@](O)(COc3cc(C)ccc3Cl)C2)cc1OCCCn1ccnc1C ZINC000585272724 1071028651 /nfs/dbraw/zinc/02/86/51/1071028651.db2.gz WBOMSCBLJKUOAZ-NDEPHWFRSA-N 1 0 514.066 5.037 40 0 KKABRO Cc1cnn(CCOc2ccc(C[N@@H+]3CCC[C@](O)(COc4ccc(Cl)c(Cl)c4)CC3)cc2)c1 ZINC000585273690 1071033633 /nfs/dbraw/zinc/03/36/33/1071033633.db2.gz QJDDTAAYKIQQOE-AREMUKBSSA-N 1 0 504.458 5.373 40 0 KKABRO Cc1ccc(=O)n(CCCOc2ccc(C[N@@H+]3CCC[C@](O)(COc4ccc(Cl)c(Cl)c4)CC3)cc2)c1 ZINC000585280544 1071035707 /nfs/dbraw/zinc/03/57/07/1071035707.db2.gz PLDZDMXCBVEKJG-GDLZYMKVSA-N 1 0 545.507 5.729 40 0 KKABRO COc1cc(C[N@@H+]2CCC[C@](COc3ccccc3F)(OC)CC2)ccc1OCCCN1CCCCCC1=O ZINC000585279911 1071037874 /nfs/dbraw/zinc/03/78/74/1071037874.db2.gz HGPPGHWZLJQDIB-HKBQPEDESA-N 1 0 542.692 5.456 40 0 KKABRO Cc1cc(OC[C@@]2(O)CCC[N@H+](Cc3ccc(OCCCN4CCCCC4=O)cc3)C2)cc(C)c1Cl ZINC000585279933 1071037927 /nfs/dbraw/zinc/03/79/27/1071037927.db2.gz HXNFMZFRMILHDZ-GDLZYMKVSA-N 1 0 515.094 5.144 40 0 KKABRO CC1(C)Cc2c(sc3ncnc(NC4CC[NH+](Cc5cccc(OCCCn6cccn6)c5)CC4)c23)CO1 ZINC000585291854 1071040439 /nfs/dbraw/zinc/04/04/39/1071040439.db2.gz FDENAEQSBPMZDD-UHFFFAOYSA-N 1 0 532.714 5.285 40 0 KKABRO O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc(C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000408925105 1071079630 /nfs/dbraw/zinc/07/96/30/1071079630.db2.gz MDIWGPAPMCCNOW-UHFFFAOYSA-N 1 0 526.662 5.062 40 0 KKABRO Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)c2ccc(C[NH+]3CCC(Cc4ccccc4)CC3)cc2)cc1 ZINC000408923154 1071088316 /nfs/dbraw/zinc/08/83/16/1071088316.db2.gz AFFLKNMPCZATQF-UHFFFAOYSA-N 1 0 567.755 6.811 40 0 KKABRO Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(C[NH+]3CCN(c4ccccc4)CC3)cc2)cc1 ZINC000408922354 1071092085 /nfs/dbraw/zinc/09/20/85/1071092085.db2.gz ZPTSIFPRUZQBQL-UHFFFAOYSA-N 1 0 575.134 6.024 40 0 KKABRO Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C[NH+]4CCC(Cc5ccccc5)CC4)cc3)cc2)cc1C ZINC000408921133 1071096460 /nfs/dbraw/zinc/09/64/60/1071096460.db2.gz SUIAPWIOOUJCLJ-UHFFFAOYSA-N 1 0 567.755 6.811 40 0 KKABRO O=S1(=O)CC[C@@H](N(CC[NH2+]C(c2ccccc2)c2ccccc2)C(c2ccccc2)c2ccccc2)C1 ZINC000575419555 1071137961 /nfs/dbraw/zinc/13/79/61/1071137961.db2.gz NNDSMDXYOLGNFN-SSEXGKCCSA-N 1 0 510.703 5.644 40 0 KKABRO C[C@@]1(N(CC[NH2+]C(c2ccccc2)c2ccccc2)C(c2ccccc2)c2ccccc2)CCS(=O)(=O)C1 ZINC000575421754 1071138504 /nfs/dbraw/zinc/13/85/04/1071138504.db2.gz RIVHCPAXLCLBCR-MGBGTMOVSA-N 1 0 524.730 6.034 40 0 KKABRO CC(C)(C)C[C@@H]1[NH2+][C@H](C(=O)NC2CCC(O)CC2)[C@@H](c2cccc(Cl)c2F)[C@@]12C(=O)Nc1cc(Cl)ccc12 ZINC000504791504 1071190645 /nfs/dbraw/zinc/19/06/45/1071190645.db2.gz IDKAKZRYYDCJDU-ZMQXMKQOSA-N 1 0 562.513 5.303 40 0 KKABRO C=C1[NH+]=C(SCC(=O)Nc2ccc(C)cc2C)N[C@H](c2cccc(Br)c2)C1C(=O)OCC ZINC000408986441 1071490276 /nfs/dbraw/zinc/49/02/76/1071490276.db2.gz CITPZRQJYQKATD-JOCHJYFZSA-N 1 0 516.461 5.275 40 0 KKABRO O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000408711152 1071499560 /nfs/dbraw/zinc/49/95/60/1071499560.db2.gz WNTJCWKVHXHIGM-UHFFFAOYSA-N 1 0 537.991 6.008 40 0 KKABRO O=C(Nc1ccc(Cl)cc1)[C@H](NCCC[NH2+][C@@H](C(=O)Nc1ccc(Cl)cc1)c1ccccc1)c1ccccc1 ZINC000408734051 1071567809 /nfs/dbraw/zinc/56/78/09/1071567809.db2.gz GMWBGLVMTVJDJG-FQLXRVMXSA-N 1 0 561.513 6.623 40 0 KKABRO C=C1[NH+]=C(SCc2ccc(Cl)c(Cl)c2)N[C@H](c2cccc(Br)c2)C1C(=O)OCC ZINC000409336649 1072329453 /nfs/dbraw/zinc/32/94/53/1072329453.db2.gz OTGIZSCYYBEDKS-LJQANCHMSA-N 1 0 514.272 6.527 40 0 KKABRO Cc1ccc(C[N@@H+]2CC[C@H]3CC(=O)N(CC4CCC(F)(F)CC4)C[C@H](O)C(C)(C)COCCC[C@H]3C2)s1 ZINC001534612857 1073172447 /nfs/dbraw/zinc/17/24/47/1073172447.db2.gz ODMITEBSEQUJEK-GNKBHMEESA-N 1 0 540.761 5.736 40 0 KKABRO COc1ccc(CCN2C[C@H](O)C(C)(C)COCCC[C@H]3C[N@H+](Cc4ccc(C)s4)CC[C@H]3CC2=O)cc1 ZINC001534613166 1073172454 /nfs/dbraw/zinc/17/24/54/1073172454.db2.gz QFDHWUMOHMFSFC-ZEZDXWPOSA-N 1 0 542.786 5.162 40 0 KKABRO CC1(C)COCCC[C@H]2C[N@H+](Cc3ccc(Cl)c(F)c3)CC[C@H]2CC(=O)N(CC2CCC(F)(F)CC2)C[C@@H]1O ZINC001534613726 1073173258 /nfs/dbraw/zinc/17/32/58/1073173258.db2.gz XANAQQTXKZIVSR-DPZBCOQUSA-N 1 0 573.140 6.159 40 0 KKABRO COc1cc([C@@H](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc(OC)c1OC ZINC001547138550 1073179207 /nfs/dbraw/zinc/17/92/07/1073179207.db2.gz CJVAMYXXWSINCZ-WXKJZWBCSA-N 1 0 702.845 6.547 40 0 KKABRO Cc1nnc(C(C)C)n1[C@@H]1CC2=[N+](CCC(NC(=O)C3CCC(F)(F)CC3)c3ccccc3)[C@@H](CC2)C1 ZINC001560410097 1073195799 /nfs/dbraw/zinc/19/57/99/1073195799.db2.gz FESNHUYYIFOURU-ZCYQVOJMSA-N 1 0 511.661 5.577 40 0 KKABRO O=C(NC1CCCCC1)N1CC[NH+](C[C@@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)CC1 ZINC000028295679 1073206646 /nfs/dbraw/zinc/20/66/46/1073206646.db2.gz OPAQQZXZKSOQGD-OAQYLSRUSA-N 1 0 503.474 5.122 40 0 KKABRO CCC[C@@H](c1nnnn1Cc1ccc(OC)cc1)N(Cc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001335476 551645383 /nfs/dbraw/zinc/64/53/83/551645383.db2.gz LVRWKEJMGWHUMS-LJAQVGFWSA-N 1 0 538.652 5.124 40 0 KKABRO CCC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCCC1 ZINC000001335574 551645401 /nfs/dbraw/zinc/64/54/01/551645401.db2.gz BIUIJGDGVGNTFU-AREMUKBSSA-N 1 0 546.647 5.149 40 0 KKABRO CC[C@@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1cc2ccc(OC)cc2[nH]c1=O)C1CCCCC1 ZINC000001374786 551654968 /nfs/dbraw/zinc/65/49/68/551654968.db2.gz HNVBAKZKCDHRNE-MHZLTWQESA-N 1 0 500.647 5.052 40 0 KKABRO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)N(Cc1ccc2c(c1)OCO2)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000001375286 551656517 /nfs/dbraw/zinc/65/65/17/551656517.db2.gz KXHBYZAPCTZQST-MUUNZHRXSA-N 1 0 566.662 5.071 40 0 KKABRO CC[C@H](c1nnnn1C1CCCC1)N(Cc1ccc2c(c1)OCO2)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000001375246 551656580 /nfs/dbraw/zinc/65/65/80/551656580.db2.gz QSTCREPKXBKXQT-RUZDIDTESA-N 1 0 514.630 5.129 40 0 KKABRO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)N(Cc1cccs1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000001375452 551656876 /nfs/dbraw/zinc/65/68/76/551656876.db2.gz OXKSTPHJCWPQKW-AREMUKBSSA-N 1 0 528.682 5.403 40 0 KKABRO CC[C@H](c1nnnn1Cc1ccccc1)N(Cc1ccc(OC)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000001375590 551657345 /nfs/dbraw/zinc/65/73/45/551657345.db2.gz KJQQBINXXZSGTB-MUUNZHRXSA-N 1 0 522.653 5.342 40 0 KKABRO COc1ccc(OCCC[N@H+](C)CCOc2ccc3c(c2)OCO3)c([C@H]2Sc3ccccc3N(C)C2=O)c1 ZINC000001555138 551684221 /nfs/dbraw/zinc/68/42/21/551684221.db2.gz RKXVEXUAWGRFNP-MUUNZHRXSA-N 1 0 536.650 5.013 40 0 KKABRO CCCC[NH+](CCCC)CC[C@H](O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2c(Cl)cc(Cl)cc12 ZINC000001568025 551684489 /nfs/dbraw/zinc/68/44/89/551684489.db2.gz XJOZAGPCPQXRPR-VWLOTQADSA-N 1 0 528.351 8.841 40 0 KKABRO CC[NH+](CC)CCNc1nc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc(C(Cl)(Cl)Cl)n1 ZINC000001702449 551689990 /nfs/dbraw/zinc/68/99/90/551689990.db2.gz KNSQAYMKPHTJOB-UHFFFAOYSA-N 1 0 524.724 6.157 40 0 KKABRO CCOC(=O)c1c(C)nc(-c2sc3nc(-c4ccccc4)nc(N4CC[NH+](Cc5ccccc5)CC4)c3c2C)nc1N ZINC000004397697 552458810 /nfs/dbraw/zinc/45/88/10/552458810.db2.gz UJFBISSWFHJEID-UHFFFAOYSA-N 1 0 579.730 5.513 40 0 KKABRO Cc1c(Br)cc2c(c1Br)OC[C@](C[NH+]1CCCCC1)(Sc1ccccc1)C2=O ZINC000004482600 552461906 /nfs/dbraw/zinc/46/19/06/552461906.db2.gz OKIJIRRZZQYPSI-QFIPXVFZSA-N 1 0 525.306 6.112 40 0 KKABRO C[NH+]1CCC(OC(=O)C(OC(=O)C(O)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)CC1 ZINC000004962026 552490400 /nfs/dbraw/zinc/49/04/00/552490400.db2.gz WMLURRJHZXOGSW-UHFFFAOYSA-N 1 0 535.640 5.047 40 0 KKABRO COc1c(Br)cc(Br)cc1/C=C/C(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000006288725 552578315 /nfs/dbraw/zinc/57/83/15/552578315.db2.gz QLHCRVHLCZWHEA-KPKJPENVSA-N 1 0 585.340 6.194 40 0 KKABRO COc1c(Br)cc(Br)cc1C(=O)NC(=S)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC000006288729 552578671 /nfs/dbraw/zinc/57/86/71/552578671.db2.gz CARWDWHWASHKLJ-UHFFFAOYSA-N 1 0 541.309 5.333 40 0 KKABRO O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000009062823 553205233 /nfs/dbraw/zinc/20/52/33/553205233.db2.gz PRPQFXPBAMSLAB-UHFFFAOYSA-N 1 0 518.466 5.645 40 0 KKABRO Cc1ccc(OC[C@H](O)C[NH+]2CCC(CN3C(=O)c4cccc5cccc(c54)C3=O)CC2)c(C(C)(C)C)c1 ZINC000012170600 553353208 /nfs/dbraw/zinc/35/32/08/553353208.db2.gz XZENEPDFVQWIQZ-XMMPIXPASA-N 1 0 514.666 5.194 40 0 KKABRO O=C1c2cccc3cccc(c32)C(=O)N1CC1CC[NH+](C[C@@H](O)COCCC23CC4CC(CC(C4)C2)C3)CC1 ZINC000012170539 553353212 /nfs/dbraw/zinc/35/32/12/553353212.db2.gz HXIWYRIKTGIHGX-SQIZSTGUSA-N 1 0 530.709 5.132 40 0 KKABRO CC[C@@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)C1CCCCC1 ZINC000013064533 553444296 /nfs/dbraw/zinc/44/42/96/553444296.db2.gz WYACRMMWNFEAMM-SANMLTNESA-N 1 0 530.673 5.061 40 0 KKABRO CCOc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)[C@@H](CC)c3nnnn3CCc3ccccc3)cc2c1 ZINC000013494743 553460343 /nfs/dbraw/zinc/46/03/43/553460343.db2.gz HNYTZQWDIBBDDT-LJAQVGFWSA-N 1 0 522.653 5.310 40 0 KKABRO CC[C@H](c1nnnn1C1CCCCC1)N(Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013495085 553461390 /nfs/dbraw/zinc/46/13/90/553461390.db2.gz NBAXXWDOIMKSNI-XMMPIXPASA-N 1 0 518.593 5.041 40 0 KKABRO Cc1sc(NC(=O)C[N@@H+](C)C2CCCCC2)nc1-c1ccc2c(c1)CCN2C(=O)c1cccc(F)c1 ZINC000013565013 553472716 /nfs/dbraw/zinc/47/27/16/553472716.db2.gz YKHYFKMGJPZBOI-UHFFFAOYSA-N 1 0 506.647 5.664 40 0 KKABRO CC(C)(C)c1ccc(-c2cc(C[C@H]3C[NH2+]CC[C@H]3CC(=O)N3CCN(c4ccc(F)cc4)CC3)no2)cc1 ZINC000015673770 553534050 /nfs/dbraw/zinc/53/40/50/553534050.db2.gz UNCKTZYPRBBSRK-ZEQRLZLVSA-N 1 0 518.677 5.285 40 0 biogenic,in-vitro KKABRO COc1cc(C[NH2+]CCc2ccccc2F)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000016195606 553556411 /nfs/dbraw/zinc/55/64/11/553556411.db2.gz NHWFIWPUDVXESG-UHFFFAOYSA-N 1 0 513.234 6.815 40 0 KKABRO CCOc1cc(C[NH2+]CCc2ccc(OC)c(OC)c2)cc(Br)c1OCc1ccccc1 ZINC000016688613 553573253 /nfs/dbraw/zinc/57/32/53/553573253.db2.gz VVDORZFKGMMEFE-UHFFFAOYSA-N 1 0 500.433 5.776 40 0 KKABRO COc1ccc(/C(Cl)=C(/c2ccc(OCC[NH+](C)C)cc2)c2ccc(OC(=O)C(C)(C)C)cc2)cc1 ZINC000017213051 553590624 /nfs/dbraw/zinc/59/06/24/553590624.db2.gz WVMNYAPPPKRJIH-BYYHNAKLSA-N 1 0 508.058 6.743 40 0 KKABRO C[NH+](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](NC(=O)N[C@@H](Cc5ccccc5)c5nccs5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000073294364 553652847 /nfs/dbraw/zinc/65/28/47/553652847.db2.gz QPOUCHIQTFZFLC-DQZCNBMVSA-N 1 0 548.841 7.068 40 0 KKABRO C[NH+](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](NC(=O)N[C@@H](Cc5ccccc5)c5nccs5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000073294367 553652922 /nfs/dbraw/zinc/65/29/22/553652922.db2.gz QPOUCHIQTFZFLC-FCJQHDJUSA-N 1 0 548.841 7.068 40 0 KKABRO COc1ccccc1OCC[NH2+]C[C@H](O)COc1cccc2c1c1ccccc1n2C[C@H](O)COc1cccc2[nH]c3ccccc3c21 ZINC000077285252 553657789 /nfs/dbraw/zinc/65/77/89/553657789.db2.gz USBVSUHNTUBUMY-SVBPBHIXSA-N 1 0 645.756 6.286 40 0 in-vitro KKABRO COc1cc(C[NH2+]C23CC4CC(CC(C4)C2)C3)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000022073704 553725401 /nfs/dbraw/zinc/72/54/01/553725401.db2.gz OVYWYRKUOVVJIZ-UHFFFAOYSA-N 1 0 525.314 7.402 40 0 KKABRO CCOc1cc(C[NH2+][C@@H](C)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000022074173 553725755 /nfs/dbraw/zinc/72/57/55/553725755.db2.gz CRQMALZIEMGIME-INIZCTEOSA-N 1 0 509.271 7.584 40 0 KKABRO CCOc1cc(C[NH2+]Cc2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000022076711 553725826 /nfs/dbraw/zinc/72/58/26/553725826.db2.gz NMDZIVDLLYQEBX-UHFFFAOYSA-N 1 0 509.271 7.332 40 0 KKABRO Clc1ccc(COc2ccc3ccccc3c2C[NH2+]CCSc2nnnn2-c2ccccc2)cc1 ZINC000022107816 553726130 /nfs/dbraw/zinc/72/61/30/553726130.db2.gz YQZWDNKKQJIFGX-UHFFFAOYSA-N 1 0 502.043 5.930 40 0 KKABRO COc1cc(C[NH2+]CCCSc2nnnn2-c2ccccc2)ccc1OCc1ccc(F)cc1Cl ZINC000022109086 553726595 /nfs/dbraw/zinc/72/65/95/553726595.db2.gz QKDSFQBPTOVCFW-UHFFFAOYSA-N 1 0 514.026 5.314 40 0 KKABRO COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)cc2c1 ZINC000022869300 553764357 /nfs/dbraw/zinc/76/43/57/553764357.db2.gz MSTIBCLKTAUYBS-JGCGQSQUSA-N 1 0 575.717 5.135 40 0 KKABRO Cc1cc2cc([C@H](c3nnnn3C3CCCC3)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c(=O)[nH]c2cc1C ZINC000022870217 553765261 /nfs/dbraw/zinc/76/52/61/553765261.db2.gz HQFPGDOMVXALHD-MGBGTMOVSA-N 1 0 573.745 5.743 40 0 KKABRO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)cc2c1 ZINC000022871721 553765534 /nfs/dbraw/zinc/76/55/34/553765534.db2.gz MFBQWMGEVOMLKL-SSEXGKCCSA-N 1 0 547.707 5.075 40 0 KKABRO CC[NH+](CC)CCCN(C(=O)c1ccc(-c2ccccc2)[nH]1)[C@@H](C(=O)NC1CCCCC1)c1cc(OC)c(OC)c(OC)c1 ZINC000028392883 553841835 /nfs/dbraw/zinc/84/18/35/553841835.db2.gz QRDILYYXMGFWQG-JGCGQSQUSA-N 1 0 604.792 6.072 40 0 KKABRO COc1cccc([C@H](C[NH2+]C[C@@H](O)COCC2=CC[C@@H]3C[C@H]2C3(C)C)c2c[nH]c3ccccc32)c1OC ZINC000033766834 553972680 /nfs/dbraw/zinc/97/26/80/553972680.db2.gz ZPTIJSFNYJUOAG-QYBRSWJBSA-N 1 0 504.671 5.277 40 0 KKABRO CCn1c(=O)/c(=C(/C=C2\Sc3cc(/C=C/c4ccccc4)ccc3N2CC)c2ccccc2)s/c1=C/c1sc(-c2ccccc2)c(-c2ccccc2)[n+]1CC ZINC000097983200 554007962 /nfs/dbraw/zinc/00/79/62/554007962.db2.gz OPWWRGCGDTXENT-GBVYJLSSSA-N 1 0 773.085 10.304 40 0 KKABRO COc1ccc(-c2nn(-c3ccccc3)c3[nH]c(=O)c(C[NH2+]Cc4ccc(Cl)cc4)cc23)cc1OC ZINC000035533937 554058194 /nfs/dbraw/zinc/05/81/94/554058194.db2.gz XHGYVRSZENJUJW-UHFFFAOYSA-N 1 0 500.986 5.341 40 0 KKABRO CCCCCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=S)N2CCC[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000098005918 554059486 /nfs/dbraw/zinc/05/94/86/554059486.db2.gz DCMPETSAAQYUAS-NDEPHWFRSA-N 1 0 661.791 5.583 40 0 KKABRO Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)NCCC[NH+]2CCCCC2)cc1 ZINC000100080076 554206425 /nfs/dbraw/zinc/20/64/25/554206425.db2.gz XYFWNXJHJCRBDN-UHFFFAOYSA-N 1 0 540.129 5.650 40 0 KKABRO Cc1ccccc1C[NH+]1CCC(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(Cl)ccc3C)cc2)CC1 ZINC000039750274 554280010 /nfs/dbraw/zinc/28/00/10/554280010.db2.gz SZCLASYWOWULGW-UHFFFAOYSA-N 1 0 512.075 5.608 40 0 KKABRO Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)C3CC[NH+](Cc4ccc(Cl)cc4)CC3)cc2)cc1C ZINC000039750046 554280048 /nfs/dbraw/zinc/28/00/48/554280048.db2.gz UUCLDXFYSMVEAW-UHFFFAOYSA-N 1 0 512.075 5.608 40 0 KKABRO Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)C3CC[NH+](Cc4ccccc4Cl)CC3)cc2)c1 ZINC000039765908 554280548 /nfs/dbraw/zinc/28/05/48/554280548.db2.gz WHQJCXNMGRECLR-UHFFFAOYSA-N 1 0 512.075 5.608 40 0 KKABRO COc1cc2c3c(c1O)Oc1cc4c(cc1OC)CC[N@@H+](C)[C@@H]4Cc1ccc(cc1)Oc1cc(ccc1O)C[C@H]3N(C)CC2 ZINC000040163548 554282716 /nfs/dbraw/zinc/28/27/16/554282716.db2.gz XGEAUXVPBXUBKN-VSGBNLITSA-N 1 0 594.708 6.556 40 0 biogenic,in-vitro KKABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c2ccc(C)c(Cl)c2)cc1 ZINC000044857281 554305742 /nfs/dbraw/zinc/30/57/42/554305742.db2.gz ZWAZTUGUBZKFBR-UHFFFAOYSA-N 1 0 526.102 5.064 40 0 KKABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c2ccccc2Cl)cc1 ZINC000044873643 554306696 /nfs/dbraw/zinc/30/66/96/554306696.db2.gz BTDOYTOCHDPIFC-UHFFFAOYSA-N 1 0 526.102 5.146 40 0 KKABRO CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000044873976 554306722 /nfs/dbraw/zinc/30/67/22/554306722.db2.gz HJOHNTIFIHUGKP-UHFFFAOYSA-N 1 0 526.102 5.222 40 0 KKABRO CN(c1ccc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000044874203 554306985 /nfs/dbraw/zinc/30/69/85/554306985.db2.gz VDRDMBAKFFZJJO-UHFFFAOYSA-N 1 0 512.075 5.081 40 0 KKABRO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)N(CCc1cccc(C)c1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000100376983 554360208 /nfs/dbraw/zinc/36/02/08/554360208.db2.gz JNBKROUYCWSQMO-LJAQVGFWSA-N 1 0 536.680 5.384 40 0 KKABRO COc1cc2ccccc2cc1C(=O)NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000059108654 554380920 /nfs/dbraw/zinc/38/09/20/554380920.db2.gz PARAGYMYAMUFPJ-UHFFFAOYSA-N 1 0 510.663 5.297 40 0 KKABRO CCc1ccc2c(c1)[C@@]1(C(=O)N2)[N@@H+]2CCC[C@@H]2[C@@H](C(=O)c2ccc3ccccc3c2)[C@@]12c1ccccc1NC2=O ZINC000059785694 554430273 /nfs/dbraw/zinc/43/02/73/554430273.db2.gz DEXFPUZLJYSAEO-JEAVRDQXSA-N 1 0 527.624 5.417 40 0 KKABRO CCc1cccc2c1NC(=O)[C@]21[N@@H+]2CCC[C@@H]2[C@@H](C(=O)c2ccc3ccccc3c2)[C@]12c1ccccc1NC2=O ZINC000059785523 554430426 /nfs/dbraw/zinc/43/04/26/554430426.db2.gz QYQDPBFSISDNBS-RYJMLKPZSA-N 1 0 527.624 5.417 40 0 KKABRO O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000059888225 554470702 /nfs/dbraw/zinc/47/07/02/554470702.db2.gz YIVMUNPNZUQVEC-UHFFFAOYSA-N 1 0 576.516 6.061 40 0 KKABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3)cc2)C1 ZINC000060028501 554492956 /nfs/dbraw/zinc/49/29/56/554492956.db2.gz CQWXAVSSLWHTGB-GOSISDBHSA-N 1 0 566.045 6.644 40 0 KKABRO COc1ccccc1[C@@H](c1c(C)[nH]c2ccccc21)N1CC[NH+]([C@H](c2c(C)[nH]c3ccccc32)c2ccccc2OC)CC1 ZINC000100868765 554497384 /nfs/dbraw/zinc/49/73/84/554497384.db2.gz PMHOLWFFENZCFE-UWXQCODUSA-N 1 0 584.764 7.780 40 0 KKABRO CC[C@H]1C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)c1ccco1 ZINC000064373446 554510817 /nfs/dbraw/zinc/51/08/17/554510817.db2.gz MYKURCFTIZBVPS-YQYWPLEPSA-N 1 0 574.718 6.089 40 0 KKABRO COC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2C[C@@H]([NH2+]Cc3cccnc3)C[C@@H](c3ccc(C(F)(F)F)cc3)N21 ZINC000067879285 554534515 /nfs/dbraw/zinc/53/45/15/554534515.db2.gz VMYFVNQUGCDEFK-VPIUVCPKSA-N 1 0 534.582 5.716 40 0 biogenic,in-vitro KKABRO Cc1cc2c(c(C)c1)NC(=O)[C@@]21[N@@H+]2CCC[C@@H]2[C@@H](C(=O)c2ccc(Br)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000101064448 554571790 /nfs/dbraw/zinc/57/17/90/554571790.db2.gz JLEJNNHBBFNPSP-SMVSGJMUSA-N 1 0 556.460 5.081 40 0 KKABRO O=C1CN=C(c2ccccc2Cl)c2cc(Br)ccc2N1CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000101090727 554581952 /nfs/dbraw/zinc/58/19/52/554581952.db2.gz CLKWRJPHBIYYJQ-UHFFFAOYSA-N 1 0 565.943 5.889 40 0 KKABRO CCOc1ccc([C@@H](c2cc(CC)sc2NC(=O)c2ccccc2)[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000101100385 554587411 /nfs/dbraw/zinc/58/74/11/554587411.db2.gz HAJXVVBVNDIWDX-YTTGMZPUSA-N 1 0 538.757 8.006 40 0 KKABRO COc1cc(C[NH2+]CCCSc2nnnn2-c2ccccc2)ccc1OCc1c(Cl)cccc1Cl ZINC000102558494 554965779 /nfs/dbraw/zinc/96/57/79/554965779.db2.gz UMDHAQGIPREHMN-UHFFFAOYSA-N 1 0 530.481 5.829 40 0 KKABRO COc1cc(C[NH2+]CCCSc2nnnn2-c2ccccc2)cc(Br)c1OCc1ccccc1Cl ZINC000102558823 554966284 /nfs/dbraw/zinc/96/62/84/554966284.db2.gz WFLJMQSQDHUJRV-UHFFFAOYSA-N 1 0 574.932 5.938 40 0 KKABRO COc1cc(C[NH2+]CCCSc2nnnn2-c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000102558825 554966313 /nfs/dbraw/zinc/96/63/13/554966313.db2.gz SIWGWBXJHCVAFT-UHFFFAOYSA-N 1 0 574.932 5.938 40 0 KKABRO CCOc1cc(C[NH2+]C[C@H](O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000102563428 554968881 /nfs/dbraw/zinc/96/88/81/554968881.db2.gz ULEKGZLSAOBLIK-QFIPXVFZSA-N 1 0 525.270 6.557 40 0 KKABRO O=C(c1ccc(Cl)cc1Cl)[C@H]1[C@@]2(C(=O)Nc3ccccc32)N2CCC[C@@H]2[C@]12C(=O)Nc1ccccc12 ZINC000102811961 555075061 /nfs/dbraw/zinc/07/50/61/555075061.db2.gz LKLZRYIWPSGWBV-OHIQVNEGSA-N 1 0 518.400 5.008 40 0 KKABRO O=C(c1ccc(Cl)cc1Cl)[C@@H]1[C@@]2(C(=O)Nc3ccccc32)N2CCC[C@@H]2[C@]12C(=O)Nc1ccccc12 ZINC000102811959 555075102 /nfs/dbraw/zinc/07/51/02/555075102.db2.gz LKLZRYIWPSGWBV-OEZPAIJMSA-N 1 0 518.400 5.008 40 0 KKABRO COc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccccc3)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000103513364 555422654 /nfs/dbraw/zinc/42/26/54/555422654.db2.gz XHJJEFWCVZUQMD-NGTMZHBCSA-N 1 0 526.592 5.677 40 0 KKABRO COc1cccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccc(OC)cc3OC)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN32)c1 ZINC000103537942 555436753 /nfs/dbraw/zinc/43/67/53/555436753.db2.gz GJKPHDMNCVZQEB-RFMPLWHVSA-N 1 0 586.644 5.694 40 0 KKABRO Cc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@H](O)C[NH+]1CCN(C/C=C\c2ccccc2)CC1 ZINC000064245470 562704589 /nfs/dbraw/zinc/70/45/89/562704589.db2.gz SQHWUCVCWKDAIS-FOMBSRDRSA-N 1 0 541.739 6.976 40 0 KKABRO CCCOc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccc(C)cc3)N3C=Cc4ccccc4[C@@H]3[C@@]23c2ccccc2NC3=O)cc1 ZINC000103287985 571361508 /nfs/dbraw/zinc/36/15/08/571361508.db2.gz SQCZTRWPUIZFTB-YUIGLEDNSA-N 1 0 568.673 6.766 40 0 KKABRO COc1cccc(C(=O)[C@H]2[C@H](C(=O)c3ccc(OC(C)C)cc3)[C@@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN23)c1 ZINC000103527984 571361776 /nfs/dbraw/zinc/36/17/76/571361776.db2.gz DEEGGLHMMXTTDS-YUIGLEDNSA-N 1 0 584.672 6.464 40 0 KKABRO Cc1ccc(S(=O)(=O)N[C@H](c2ccccc2)[C@H]([NH2+]CCOc2ccc(C(C)(C)C)cc2)c2ccccc2)cc1 ZINC000104497400 571381247 /nfs/dbraw/zinc/38/12/47/571381247.db2.gz LHEUAZAVUDLWGE-ROJLCIKYSA-N 1 0 542.745 6.722 40 0 KKABRO O=C(NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000105318437 571400918 /nfs/dbraw/zinc/40/09/18/571400918.db2.gz GXPBQDMAWZMFEA-UHFFFAOYSA-N 1 0 565.526 6.702 40 0 KKABRO CC[NH+]1CCN(c2ccc(NC(=S)NC(=O)C=Cc3ccc(-c4cc(Cl)cc(Cl)c4)o3)cc2)CC1 ZINC000105318857 571401173 /nfs/dbraw/zinc/40/11/73/571401173.db2.gz AYGBIYNXYNHVKP-CSKARUKUSA-N 1 0 529.493 5.922 40 0 KKABRO CC[NH+]1CCN(c2ccc(NC(=S)NC(=O)C=Cc3ccc(-c4ccc(Cl)cc4Cl)o3)cc2)CC1 ZINC000105318849 571401199 /nfs/dbraw/zinc/40/11/99/571401199.db2.gz HGTVXNBXELHNIM-FMIVXFBMSA-N 1 0 529.493 5.922 40 0 KKABRO Clc1ccc(C[n+]2c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)cc1 ZINC000106253452 571411658 /nfs/dbraw/zinc/41/16/58/571411658.db2.gz GVRRSXRHDGSDEZ-UHFFFAOYSA-N 1 0 585.170 11.011 40 0 KKABRO Cc1cc(Nc2nc3ccccc3nc2N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)n(-c2ccccc2)n1 ZINC000106999483 571419298 /nfs/dbraw/zinc/41/92/98/571419298.db2.gz XTMSVWRNIWGSJM-UHFFFAOYSA-N 1 0 551.698 6.779 40 0 KKABRO O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000108497872 571426013 /nfs/dbraw/zinc/42/60/13/571426013.db2.gz NPACDUHOWARJAO-UHFFFAOYSA-N 1 0 536.456 5.784 40 0 KKABRO O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000108545100 571426109 /nfs/dbraw/zinc/42/61/09/571426109.db2.gz HFKVUCHEYGRCAQ-UHFFFAOYSA-N 1 0 552.911 6.298 40 0 KKABRO CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(C)C4=C[C@@H](OC(=O)CC[N@H+]5C[C@H](C)C[C@H](C)C5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000118931076 571447501 /nfs/dbraw/zinc/44/75/01/571447501.db2.gz CPJHDWYZEVQMHG-HFYVPXJPSA-N 1 0 553.784 6.286 40 0 KKABRO C[C@@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](OC(=O)c6ccccc6)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]12CC[C@H](C)C[NH2+]2 ZINC000118936411 571447901 /nfs/dbraw/zinc/44/79/01/571447901.db2.gz KVEGADOINRXKBW-IQWAXQMZSA-N 1 0 517.754 7.152 40 0 KKABRO 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YFKIXXCDIYQTRX-VCMHUTJHSA-N 1 0 527.128 6.292 40 0 KKABRO CCCn1cc(C[N@@H+]2CCC[C@](COc3ccc(Cl)c(C)c3)(CC(=O)N3CCOCC3)C2)c2ccccc21 ZINC000257343715 572320118 /nfs/dbraw/zinc/32/01/18/572320118.db2.gz ZUCWJLYDGAZGCO-HKBQPEDESA-N 1 0 538.132 5.923 40 0 KKABRO CC(C)(C)OC(=O)n1cc(-c2cccc(C[NH+]3CCCCC3)c2)c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 ZINC000257343587 572320239 /nfs/dbraw/zinc/32/02/39/572320239.db2.gz ZTOZPRWESVMTIB-DEOSSOPVSA-N 1 0 524.706 6.434 40 0 KKABRO CC(C)(C)OC(=O)N1C[C@H](c2ccc(F)cc2)[C@H]([NH+](Cc2cccc(Cl)c2)Cc2cccc(Cl)c2)C1 ZINC000257345063 572320315 /nfs/dbraw/zinc/32/03/15/572320315.db2.gz ZZUMBTXWXOTZOP-KAYWLYCHSA-N 1 0 529.483 7.538 40 0 KKABRO CC(C)CN1C[C@]2(C[N@H+](CC3CCOCC3)C[C@@H]2c2ccc(Cl)c(F)c2)N(c2ccc(Cl)cc2)C1=O ZINC000257344559 572320324 /nfs/dbraw/zinc/32/03/24/572320324.db2.gz ZXUMCNHKCWSNAS-YWEHKCAJSA-N 1 0 534.503 6.295 40 0 KKABRO CC(=O)O[C@H]1CC[C@@]2(C)C(=C[C@@H]([NH2+]C3CCCCC3)[C@@H]3[C@H]4CC[C@@H]([C@@H](C)CCCC(C)C)[C@@]4(C)CC[C@H]32)C1 ZINC000257348456 572321227 /nfs/dbraw/zinc/32/12/27/572321227.db2.gz FTLRMZFOMOKYGR-GVPQWMGDSA-N 1 0 525.862 8.860 40 0 KKABRO O=[N+](/C(=C\N(O)c1c(Br)cc(F)cc1Br)c1cc(N2CCOCC2)cc2nonc21)c1c(Br)cc(F)cc1Br ZINC000408710518 1069727144 /nfs/dbraw/zinc/72/71/44/1069727144.db2.gz BFKXEALFSYFDMF-NHDPSOOVSA-N 1 0 796.035 7.692 40 0 KKABRO Cc1ccc2nc(-c3ccc(NC(=O)c4ccc(CN5CC[NH+](Cc6ccccc6)CC5)cc4)cc3)sc2c1 ZINC000408861706 1070078216 /nfs/dbraw/zinc/07/82/16/1070078216.db2.gz GARNFVPETXNSSY-UHFFFAOYSA-N 1 0 532.713 6.842 40 0 KKABRO CCc1nccn1CCCOc1cc(C[N@@H+]2CCC[C@](O)(COc3ccc(C)cc3)CC2)ccc1OC ZINC000585270528 1071019921 /nfs/dbraw/zinc/01/99/21/1071019921.db2.gz FASRZIIFODZWQA-SSEXGKCCSA-N 1 0 507.675 5.028 40 0 KKABRO O[C@]1(COc2ccc(Cl)c(Cl)c2)CCC[N@H+](Cc2cccc(OCCCn3ccnc3)c2)CC1 ZINC000585270591 1071018288 /nfs/dbraw/zinc/01/82/88/1071018288.db2.gz GITVBCULQJDSBK-AREMUKBSSA-N 1 0 504.458 5.455 40 0 KKABRO CCc1nccn1CCCOc1cc(C[N@@H+]2CCC[C@@](O)(COc3cc(C)c(Cl)c(C)c3)C2)ccc1OC ZINC000585270210 1071020224 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/nfs/dbraw/zinc/02/90/88/1071029088.db2.gz STTXSTKLILVHFG-GDLZYMKVSA-N 1 0 511.638 5.258 40 0 KKABRO Cc1cc(OCC2(O)CC[NH+](Cc3ccc(OCCn4c5ccccc5n(C)c4=O)cc3)CC2)cc(C)c1Cl ZINC000585274560 1071031244 /nfs/dbraw/zinc/03/12/44/1071031244.db2.gz WKDKKVDQHPYOEA-UHFFFAOYSA-N 1 0 550.099 5.095 40 0 KKABRO O=C1CCCCCN1CCCOc1cccc(C[NH+]2CCC(O)(COc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000585272802 1071026855 /nfs/dbraw/zinc/02/68/55/1071026855.db2.gz WXZUXMCWHZCPQX-UHFFFAOYSA-N 1 0 535.512 5.571 40 0 KKABRO Cc1nccn1CCCOc1cccc(C[N@@H+]2CCC[C@](O)(COc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000585272611 1071027826 /nfs/dbraw/zinc/02/78/26/1071027826.db2.gz UNRGSXMMPZASBO-HHHXNRCGSA-N 1 0 518.485 5.763 40 0 KKABRO COc1ccc(C[N@@H+]2CCC[C@](O)(COc3ccc(Cl)c(Cl)c3)CC2)cc1OCCCn1cc(C)cn1 ZINC000585274623 1071031093 /nfs/dbraw/zinc/03/10/93/1071031093.db2.gz LOCPWEDIRUWFJX-MUUNZHRXSA-N 1 0 548.511 5.772 40 0 KKABRO Cn1c2ccccc2n(CCOc2ccc(C[N@@H+]3CCC[C@@](O)(COc4ccc(Cl)c(Cl)c4)CC3)cc2)c1=O ZINC000585274334 1071031701 /nfs/dbraw/zinc/03/17/01/1071031701.db2.gz VWZTYOMNNKUCOF-PMERELPUSA-N 1 0 570.517 5.522 40 0 KKABRO COC1(COc2ccc(Cl)c(Cl)c2)CC[NH+](Cc2cccc(OCCCn3cc(C)cn3)c2)CC1 ZINC000585272277 1071032436 /nfs/dbraw/zinc/03/24/36/1071032436.db2.gz RWLHIODGGGPTGX-UHFFFAOYSA-N 1 0 518.485 6.027 40 0 KKABRO COc1cc(C[N@@H+]2CCC[C@](O)(COc3cc(C)ccc3Cl)C2)ccc1OCCCn1cc(C)cn1 ZINC000585275017 1071032577 /nfs/dbraw/zinc/03/25/77/1071032577.db2.gz TYZGEBAPPNAHHN-MUUNZHRXSA-N 1 0 514.066 5.037 40 0 KKABRO COc1cc(C[NH2+][C@H]2CCC[C@H]3N(C(=O)OC(C)(C)C)[C@@H](c4ccc(F)cc4)C[C@@]3(C)[C@@H]2O)ccc1OCCN1CCOCC1 ZINC000585273781 1071033098 /nfs/dbraw/zinc/03/30/98/1071033098.db2.gz RRKXLDNGBAFYIR-XLCZKFEXSA-N 1 0 627.798 5.305 40 0 KKABRO CCc1nccn1CCCOc1ccc(C[NH+]2CCC(O)(COc3cc(C)ccc3Cl)CC2)cc1OC ZINC000585273324 1071033738 /nfs/dbraw/zinc/03/37/38/1071033738.db2.gz ZRUUCYGAJNPPDS-UHFFFAOYSA-N 1 0 528.093 5.291 40 0 KKABRO COc1cc(C[N@@H+]2CCC[C@@](O)(COc3ccc(Cl)c(Cl)c3)CC2)ccc1OCCCN1CCCCCC1=O ZINC000585280743 1071035610 /nfs/dbraw/zinc/03/56/10/1071035610.db2.gz SATQSOCIMXNWGM-PMERELPUSA-N 1 0 579.565 5.970 40 0 KKABRO CC(C)c1nccn1CCOc1ccc(C[N@@H+]2CCC[C@](O)(COc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000585280710 1071035938 /nfs/dbraw/zinc/03/59/38/1071035938.db2.gz RSTVQCSFJKMEJK-MUUNZHRXSA-N 1 0 532.512 6.188 40 0 KKABRO COc1cc(C[NH+]2CCC(COc3ccc(Cl)c(Cl)c3)(OC)CC2)ccc1OCCCN1CCCC1=O ZINC000585281934 1071036981 /nfs/dbraw/zinc/03/69/81/1071036981.db2.gz UQLJEKVSQLNUGJ-UHFFFAOYSA-N 1 0 551.511 5.453 40 0 KKABRO CC(C)Oc1ccc(C[NH+]2CCC(Nc3ncnc4sc5c(c43)CC(C)(C)OC5)CC2)cc1Cn1ccnc1 ZINC000585293314 1071042239 /nfs/dbraw/zinc/04/22/39/1071042239.db2.gz URCDSQGWVOIUNW-UHFFFAOYSA-N 1 0 546.741 5.651 40 0 KKABRO Cc1ccc(OC[C@]2(O)CCC[N@@H+](Cc3ccc(OCCCn4cc(C)ccc4=O)cc3)CC2)c(C)c1 ZINC000585279103 1071038330 /nfs/dbraw/zinc/03/83/30/1071038330.db2.gz CUYLAFCKZZTUCJ-HKBQPEDESA-N 1 0 504.671 5.039 40 0 KKABRO COc1cc(C[N@@H+]2CCC[C@](O)(COc3cc(C)ccc3Cl)C2)ccc1OCCCN1CCCCCC1=O ZINC000585279496 1071038396 /nfs/dbraw/zinc/03/83/96/1071038396.db2.gz CXRGXQHAFMEZJZ-SSEXGKCCSA-N 1 0 545.120 5.234 40 0 KKABRO O[C@@]1(COc2ccc(Cl)c(Cl)c2)CCC[N@H+](Cc2ccc(OCCn3cc(Cl)cn3)cc2)CC1 ZINC000585281297 1071038947 /nfs/dbraw/zinc/03/89/47/1071038947.db2.gz YOOJQZMGZHJZBX-VWLOTQADSA-N 1 0 524.876 5.718 40 0 KKABRO CCCc1nc2sc(C)c(C)c2c(NC2CC[NH+](Cc3ccc(OCc4nccn4C)cc3)CC2)n1 ZINC000585295393 1071044451 /nfs/dbraw/zinc/04/44/51/1071044451.db2.gz XXBDJDFTALBSDU-UHFFFAOYSA-N 1 0 504.704 5.650 40 0 KKABRO CC1(C)Cc2c(sc3ncnc(NC4CC[NH+](Cc5ccc(OCc6ccccn6)cc5)CC4)c23)CO1 ZINC000585292128 1071046477 /nfs/dbraw/zinc/04/64/77/1071046477.db2.gz FEDQKNTURKESJF-UHFFFAOYSA-N 1 0 515.683 5.593 40 0 KKABRO O=C(Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000408923724 1071085973 /nfs/dbraw/zinc/08/59/73/1071085973.db2.gz KWUJLEQEFIHXAF-UHFFFAOYSA-N 1 0 557.691 6.334 40 0 KKABRO O=C(Nc1ccc(CSc2ccccc2)cc1)c1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000408923219 1071088383 /nfs/dbraw/zinc/08/83/83/1071088383.db2.gz ASYYZZJMLBRCMR-UHFFFAOYSA-N 1 0 507.703 6.549 40 0 KKABRO O=C(Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)c1ccc(C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000408921970 1071093097 /nfs/dbraw/zinc/09/30/97/1071093097.db2.gz CXWKGLLDCGTVBY-UHFFFAOYSA-N 1 0 594.659 6.081 40 0 KKABRO Cc1ccc(NC(=O)c2ccc(CN3CC[C@@H]([NH+](C)C)C3)c(C(F)(F)F)c2)cc1Nc1ncc(-c2cncnc2)cn1 ZINC000212867121 1071190710 /nfs/dbraw/zinc/19/07/10/1071190710.db2.gz ZOPBZHLJXQAQON-RUZDIDTESA-N 1 0 576.627 5.393 40 0 KKABRO CC(C)(C)C[C@@H]1[NH2+][C@H](C(=O)NC2CCC(O)CC2)[C@H](c2cccc(Cl)c2F)[C@@]12C(=O)Nc1cc(Cl)ccc12 ZINC000504791502 1071190758 /nfs/dbraw/zinc/19/07/58/1071190758.db2.gz IDKAKZRYYDCJDU-NQTGCKAPSA-N 1 0 562.513 5.303 40 0 KKABRO CC(=O)Oc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccc(OC(C)C)cc3)[C@@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN23)cc1 ZINC000102370229 1071307217 /nfs/dbraw/zinc/30/72/17/1071307217.db2.gz LIMKTMNBTIRLMK-FBMCJCTKSA-N 1 0 612.682 6.381 40 0 KKABRO C=C1[NH+]=C(SCC(=O)Nc2ccc(C)c(C)c2)N[C@@H](c2cccc(Br)c2)C1C(=O)OCC ZINC000408986741 1071488801 /nfs/dbraw/zinc/48/88/01/1071488801.db2.gz DHMQFWDSONDOIC-QFIPXVFZSA-N 1 0 516.461 5.275 40 0 KKABRO O=[N+](/C(=C/N(O)c1c(Br)cc(F)cc1Br)c1ccccc1)c1c(Br)cc(F)cc1Br ZINC000408710392 1071509126 /nfs/dbraw/zinc/50/91/26/1071509126.db2.gz NOIPVGGFGSVEKX-VCHYOVAHSA-N 1 0 668.932 8.320 40 0 KKABRO O=C(Nc1ccccc1)[C@H](NCCC[NH2+][C@H](C(=O)Nc1ccccc1)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000408733965 1071569609 /nfs/dbraw/zinc/56/96/09/1071569609.db2.gz AABDTEGYOLXJCQ-ISILISOKSA-N 1 0 561.513 6.623 40 0 KKABRO C=C1[NH+]=C(SCC(=O)Nc2cc(C)cc(C)c2)N[C@H](c2cccc(Br)c2)C1C(=O)OCC ZINC000408991956 1071576150 /nfs/dbraw/zinc/57/61/50/1071576150.db2.gz RUFROVZARMVAOC-JOCHJYFZSA-N 1 0 516.461 5.275 40 0 KKABRO O=C(N[C@@H]1C(=O)N/[N+](=C\c2ccc(Cl)cc2Cl)[C@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000409055201 1071929456 /nfs/dbraw/zinc/92/94/56/1071929456.db2.gz KLDWYVOTAXIQIQ-STZSGJMDSA-O 1 0 508.212 5.316 40 0 KKABRO O=C(N[C@@H]1C(=O)N/[N+](=C\c2ccc(Cl)cc2Cl)[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000409055192 1071929473 /nfs/dbraw/zinc/92/94/73/1071929473.db2.gz KLDWYVOTAXIQIQ-FCZGRGIFSA-O 1 0 508.212 5.316 40 0 KKABRO O=C(N[C@H]1C(=O)N/[N+](=C\c2ccc(Cl)cc2Cl)[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000409055195 1071929496 /nfs/dbraw/zinc/92/94/96/1071929496.db2.gz KLDWYVOTAXIQIQ-JNNSUPKMSA-O 1 0 508.212 5.316 40 0 KKABRO CC(C)(C)CC[N@@H+]1CC[C@H]2CC(=O)N(CC3CCC(F)(F)CC3)C[C@H](O)C(C)(C)COCCC[C@H]2C1 ZINC001534612576 1073172167 /nfs/dbraw/zinc/17/21/67/1073172167.db2.gz ISFNKBKZFFGIFY-SDHOMARFSA-N 1 0 514.742 5.602 40 0 KKABRO COc1ccc(CCN2C[C@H](O)C(C)(C)COCCC[C@H]3C[N@H+](CCC(C)(C)C)CC[C@H]3CC2=O)cc1 ZINC001534613676 1073172952 /nfs/dbraw/zinc/17/29/52/1073172952.db2.gz WFCOUMQUELHUBW-NSVAZKTRSA-N 1 0 516.767 5.028 40 0 KKABRO COc1cc([C@@H](CC(=O)NC2CC[NH+]([C@H]3CCc4ccccc4NC3=O)CC2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc(OC)c1OC ZINC001547138726 1073180121 /nfs/dbraw/zinc/18/01/21/1073180121.db2.gz QRVJNYZJFLFBLQ-VYSRDIITSA-N 1 0 797.946 6.662 40 0 KKABRO COc1cc([C@H](CC(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc(OC)c1OC ZINC001547138693 1073180128 /nfs/dbraw/zinc/18/01/28/1073180128.db2.gz FLIXEDROTPFXSO-AATDMQHISA-N 1 0 706.877 6.508 40 0 KKABRO COc1cc([C@H](CC(=O)NC2CC[NH+]([C@@H]3CCc4ccccc4NC3=O)CC2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc(OC)c1OC ZINC001547138721 1073180174 /nfs/dbraw/zinc/18/01/74/1073180174.db2.gz QRVJNYZJFLFBLQ-MNQFGDFSSA-N 1 0 797.946 6.662 40 0 KKABRO COc1cc([C@H](CNC(=O)C[C@@H](c2cc(OC)c(OC)c(OC)c2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)[NH+](C)C)cc(OC)c1OC ZINC001547139120 1073184574 /nfs/dbraw/zinc/18/45/74/1073184574.db2.gz JWJFXGGPASITAC-YYXXCONNSA-N 1 0 792.923 6.572 40 0 KKABRO COc1ccc([C@@H](CC(=O)N[C@H]2C[NH+]3CCC2CC3)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc1 ZINC001547208923 1073192186 /nfs/dbraw/zinc/19/21/86/1073192186.db2.gz JOUKIHLICWFCAO-GJDOKZOISA-N 1 0 604.744 5.321 40 0 KKABRO COc1ccc2c(c1)[C@]1(CC1c1ccc3c(C=Cc4ccc(C[N@H+]5C[C@@H](C)O[C@@H](C)C5)cc4)n[nH]c3c1)C(=O)N2 ZINC001560403820 1073193913 /nfs/dbraw/zinc/19/39/13/1073193913.db2.gz KMVHBJUMRWXIMP-KWPYZJTMSA-N 1 0 533.652 5.567 40 0 KKABRO COc1ccc(CC(C)[N@@H+](Cc2ccccc2)C[C@H](OCc2ccccc2)c2ccc(O)c(NC=O)c2)cc1 ZINC001560407631 1073195322 /nfs/dbraw/zinc/19/53/22/1073195322.db2.gz IAIGWWBBRZDRFD-XIFFEERXSA-N 1 0 523.653 6.524 40 0 KKABRO CCC[C@@H](c1nnnn1CCc1ccccc1)N(Cc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001335585 551645368 /nfs/dbraw/zinc/64/53/68/551645368.db2.gz LBGAZTQFTVPEOU-NDEPHWFRSA-N 1 0 550.663 5.072 40 0 KKABRO CCc1c2c(nc3ccc(OC(=O)N4CCC([NH+]5CCCCC5)CC4)cc31)-c1cc3c(c(=O)n1C2)C(=O)O[C@H]3CC ZINC000003918169 552422297 /nfs/dbraw/zinc/42/22/97/552422297.db2.gz MPKLBQKGQFVIOG-MHZLTWQESA-N 1 0 556.663 5.058 40 0 in-vitro KKABRO CN(C)C(=O)NC1(c2ccccc2)CC[NH+](CCC[C@]2(c3ccc(Cl)c(Cl)c3)CCCN(C(=O)c3ccccc3)C2)CC1 ZINC000003974804 552424274 /nfs/dbraw/zinc/42/42/74/552424274.db2.gz XWPBINGFFFZAOZ-UMSFTDKQSA-N 1 0 621.653 7.210 40 0 investigational KKABRO O=C(CCC[NH+]1CCC2(CC1)C(=O)N(Cc1cccc(F)c1)CN2c1ccccc1)c1ccc(F)cc1 ZINC000003995320 552425281 /nfs/dbraw/zinc/42/52/81/552425281.db2.gz DXZKTRNEOISOCA-UHFFFAOYSA-N 1 0 503.593 5.269 40 0 aggregator,in-vitro KKABRO COc1ccc2c(c1)C(C)(C)/C(=C/C=C1CCCC(/C=C\C3=[N+](C)c4ccc(OC)cc4C3(C)C)=C1Cl)N2C ZINC000004235330 552451611 /nfs/dbraw/zinc/45/16/11/552451611.db2.gz AFWJPNSAPMHROW-UHFFFAOYSA-N 1 0 544.159 8.181 40 0 KKABRO COc1ccc([C@@H]2C[C@@H](OC(=O)CCc3ccc(OCc4ccccc4)cc3)C[C@H]3CCCC[N@@H+]32)cc1OCc1ccccc1 ZINC000004268334 552455068 /nfs/dbraw/zinc/45/50/68/552455068.db2.gz IHLCKJQSLDCITQ-YGIRKPQBSA-N 1 0 605.775 8.087 40 0 KKABRO CCCC[NH+](CCCC)C[C@H](COC(=O)Nc1cccc(Cl)c1)OC(=O)Nc1cccc(Cl)c1 ZINC000004803268 552486958 /nfs/dbraw/zinc/48/69/58/552486958.db2.gz ZNWAVXSGAMYEGR-HSZRJFAPSA-N 1 0 510.462 7.061 40 0 KKABRO CC(C)(C)OC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]([NH3+])CSC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000005119220 552494089 /nfs/dbraw/zinc/49/40/89/552494089.db2.gz OXDYVXYZOPLSHL-ROJLCIKYSA-N 1 0 623.819 5.224 40 0 KKABRO CC[N@@H+]1CC[C@](O)(c2ccc(Oc3ccc(Cl)cc3)cc2)[C@H](C(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)C1 ZINC000005823026 552510363 /nfs/dbraw/zinc/51/03/63/552510363.db2.gz TWCUJNADBYEKEV-CDZUIXILSA-N 1 0 562.493 7.990 40 0 KKABRO OC[C@H]1[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000005888251 552511432 /nfs/dbraw/zinc/51/14/32/552511432.db2.gz YAEJOANLERDYGA-HVRNLMOBSA-N 1 0 523.673 5.619 40 0 KKABRO CC[NH+](CC)CCCN(C(=O)CCN1CCCc2ccccc21)[C@H](C(=O)NC1CCCCC1)c1ccc(F)cc1 ZINC000005946930 552515561 /nfs/dbraw/zinc/51/55/61/552515561.db2.gz ZJKKGWVCRSEWFV-YTTGMZPUSA-N 1 0 550.763 5.719 40 0 KKABRO CC[NH+](CC)CCCN(C(=O)COc1c(C)cccc1C)c1nc(-c2cc(OC)ccc2OC)cs1 ZINC000006511251 552597268 /nfs/dbraw/zinc/59/72/68/552597268.db2.gz KJMHHHCURYXRGB-UHFFFAOYSA-N 1 0 511.688 5.588 40 0 KKABRO CC[NH+](CC)CCC[C@@H](C)Nc1nc(/C=C/c2ccc(Br)cc2)nc2cccc(Cl)c21 ZINC000008768648 553140216 /nfs/dbraw/zinc/14/02/16/553140216.db2.gz WZOCQCUEULJXBF-IYICPGQYSA-N 1 0 501.900 7.139 40 0 KKABRO Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)C3CC[NH+](Cc4ccc(F)cc4)CC3)cc2)cc1Cl ZINC000009063618 553205588 /nfs/dbraw/zinc/20/55/88/553205588.db2.gz KNEPOLUJZGZRDP-UHFFFAOYSA-N 1 0 516.038 5.439 40 0 KKABRO Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NCCC[NH+]2CCC(C)CC2)cc1 ZINC000010540693 553337650 /nfs/dbraw/zinc/33/76/50/553337650.db2.gz VHRAKVDUGAYOHI-UHFFFAOYSA-N 1 0 519.711 5.242 40 0 KKABRO CCc1cc([C@H](c2ccc(Cl)cc2)[NH+]2CCC(Cc3ccccc3)CC2)c(NC(=O)c2ccccc2)s1 ZINC000012290306 553356696 /nfs/dbraw/zinc/35/66/96/553356696.db2.gz HQRIDSOBWNGPKD-PMERELPUSA-N 1 0 529.149 8.260 40 0 KKABRO CC1(C)C[C@H]([NH2+]CC2CCCCC2)[C@@]2(CCC(=O)NCCc3c[nH]c4ccccc34)CC[C@](C)(O)C[C@@H]12 ZINC000012531506 553386364 /nfs/dbraw/zinc/38/63/64/553386364.db2.gz RCYUMHLWLGSICP-KOUWNTBJSA-N 1 0 507.763 6.113 40 0 biogenic,in-vitro KKABRO CC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCCC1 ZINC000013064417 553444029 /nfs/dbraw/zinc/44/40/29/553444029.db2.gz OLMORLSXVWXXAQ-XMMPIXPASA-N 1 0 506.651 5.077 40 0 KKABRO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013064701 553444404 /nfs/dbraw/zinc/44/44/04/553444404.db2.gz LVBADSNWGRJPCV-MHZLTWQESA-N 1 0 502.638 5.605 40 0 KKABRO CCOc1ccc2[nH]c(=O)c(CN(Cc3ccc(C)cc3)[C@H](CC)c3nnnn3C3CCCCC3)cc2c1 ZINC000013494853 553460529 /nfs/dbraw/zinc/46/05/29/553460529.db2.gz UBKGTFVXSBHIGK-MUUNZHRXSA-N 1 0 514.674 5.880 40 0 KKABRO CC[C@@H](c1nnnn1Cc1ccccc1)N(Cc1ccc(OC)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495115 553461263 /nfs/dbraw/zinc/46/12/63/553461263.db2.gz IIQCQHZIIDTWAG-MHZLTWQESA-N 1 0 508.626 5.033 40 0 KKABRO Cc1sc(NC(=O)C[N@@H+](C)C2CCCCC2)nc1-c1ccc2c(c1)CCN2C(=O)c1ccccc1C ZINC000013565010 553472702 /nfs/dbraw/zinc/47/27/02/553472702.db2.gz IDZFDFZQJRXUSV-UHFFFAOYSA-N 1 0 502.684 5.833 40 0 KKABRO O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000014411499 553516407 /nfs/dbraw/zinc/51/64/07/553516407.db2.gz DTQSIUCACDMCJK-UHFFFAOYSA-N 1 0 503.668 5.062 40 0 KKABRO COc1ccc([C@@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000015441033 553533302 /nfs/dbraw/zinc/53/33/02/553533302.db2.gz ADXUCHVVUVWTPZ-HKBQPEDESA-N 1 0 524.730 7.670 40 0 KKABRO COc1cc(C[NH2+]Cc2ccccc2Cl)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000016195611 553556415 /nfs/dbraw/zinc/55/64/15/553556415.db2.gz SIPMXSUYBMBLIA-UHFFFAOYSA-N 1 0 515.662 7.287 40 0 KKABRO COc1ccc(CC[NH2+]Cc2cc(Br)c(OCc3ccccc3F)c(OC)c2)cc1OC ZINC000016227390 553557351 /nfs/dbraw/zinc/55/73/51/553557351.db2.gz LXSIMOPWJYUVEH-UHFFFAOYSA-N 1 0 504.396 5.525 40 0 KKABRO COc1ccc(CC[NH2+]Cc2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1OC ZINC000016227382 553557384 /nfs/dbraw/zinc/55/73/84/553557384.db2.gz FCWDZHRIHBOTGS-UHFFFAOYSA-N 1 0 520.851 6.040 40 0 KKABRO Clc1ccc(COc2ccc(Br)cc2C[NH2+]CCc2c[nH]c3ccccc23)c(Cl)c1 ZINC000016525344 553566980 /nfs/dbraw/zinc/56/69/80/553566980.db2.gz XSZIGSJBHWJHLD-UHFFFAOYSA-N 1 0 504.255 7.149 40 0 KKABRO CCOc1cc(C[NH2+]CCc2ccc(OC)c(OC)c2)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000016688579 553573192 /nfs/dbraw/zinc/57/31/92/553573192.db2.gz FCQKBNZUWCHZAB-UHFFFAOYSA-N 1 0 524.872 6.974 40 0 KKABRO COc1cc(OC)c(/C=C/c2cc(/C=C\c3c(OC)cc(OC)cc3OC)[n+](C)c3ccccc23)c(OC)c1 ZINC000017045967 553587416 /nfs/dbraw/zinc/58/74/16/553587416.db2.gz VTFLLPQVYRMIBD-GQJHWZHGSA-N 1 0 528.625 6.057 40 0 KKABRO CCCC[NH+](CCCC)C[C@@H](COC(=O)Nc1cccc(Cl)c1)OC(=O)Nc1cccc(Cl)c1 ZINC000017302547 553592597 /nfs/dbraw/zinc/59/25/97/553592597.db2.gz ZNWAVXSGAMYEGR-QHCPKHFHSA-N 1 0 510.462 7.061 40 0 KKABRO COc1ccc(C(=O)[C@H]([C@H](c2ccccc2)[N@@H+]2CCc3ccccc3C2)N2CCc3ccccc3C2)cc1 ZINC000019366930 553614146 /nfs/dbraw/zinc/61/41/46/553614146.db2.gz JKRLPKPFJZYJAE-LQJZCPKCSA-N 1 0 502.658 6.104 40 0 KKABRO CC[NH+](CC)Cc1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)CC2)cc1 ZINC000020482607 553658270 /nfs/dbraw/zinc/65/82/70/553658270.db2.gz VBBKQYQXUBVBQE-UHFFFAOYSA-N 1 0 512.503 5.016 40 0 KKABRO CC/C(=C(\c1ccccc1)c1ccc(OCC[NH+](C)CCOc2ccc(/C(=C(/CC)c3ccccc3)c3ccccc3)cc2)cc1)c1ccccc1 ZINC000077313252 553664559 /nfs/dbraw/zinc/66/45/59/553664559.db2.gz MRXALMVDVOUJMY-PRFQTJOXSA-N 1 0 683.936 11.814 40 0 in-vitro KKABRO COc1cc(C[NH2+]C2CCCCCCC2)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000022076295 553725883 /nfs/dbraw/zinc/72/58/83/553725883.db2.gz IUYGGXSUDCTMGG-UHFFFAOYSA-N 1 0 501.292 7.546 40 0 KKABRO CCOc1cc(C[NH2+]CCSc2nnnn2-c2ccccc2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000022107917 553726121 /nfs/dbraw/zinc/72/61/21/553726121.db2.gz RVGNIDWTDJVJNU-UHFFFAOYSA-N 1 0 514.026 5.314 40 0 KKABRO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)cc2c1 ZINC000022866272 553763375 /nfs/dbraw/zinc/76/33/75/553763375.db2.gz QULNSFOTSYTELM-XIFFEERXSA-N 1 0 589.744 5.525 40 0 KKABRO CC[NH+](CC)CCCN(C(=O)c1ccc(-c2ccccc2)[nH]1)[C@H](C(=O)NC1CCCCC1)c1cc(OC)c(OC)c(OC)c1 ZINC000028392889 553841715 /nfs/dbraw/zinc/84/17/15/553841715.db2.gz QRDILYYXMGFWQG-YTTGMZPUSA-N 1 0 604.792 6.072 40 0 KKABRO O[C@H](COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000034930642 554033177 /nfs/dbraw/zinc/03/31/77/554033177.db2.gz IRQJPSIEYGADPC-SDMDVNNHSA-N 1 0 536.760 6.301 40 0 KKABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCCCCC2)c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000100084862 554208487 /nfs/dbraw/zinc/20/84/87/554208487.db2.gz PORJRWDHBFJCJA-UHFFFAOYSA-N 1 0 546.055 5.245 40 0 KKABRO CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)C3CC[NH+](Cc4ccc(C)cc4)CC3)cc2)cc1 ZINC000039761139 554280204 /nfs/dbraw/zinc/28/02/04/554280204.db2.gz CRXSXZBGNYCBMK-UHFFFAOYSA-N 1 0 507.656 5.045 40 0 KKABRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000044872142 554306305 /nfs/dbraw/zinc/30/63/05/554306305.db2.gz YUAXYVFPRFIVRZ-GDLZYMKVSA-N 1 0 520.098 5.640 40 0 KKABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c2cccc(Cl)c2)cc1 ZINC000044873648 554306782 /nfs/dbraw/zinc/30/67/82/554306782.db2.gz NRWZNOOIRJDFJC-UHFFFAOYSA-N 1 0 526.102 5.146 40 0 KKABRO COc1ccc(Br)cc1/C=C/C(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000059108652 554380968 /nfs/dbraw/zinc/38/09/68/554380968.db2.gz MRRQHRFUTPMBFV-VGOFMYFVSA-N 1 0 506.444 5.432 40 0 KKABRO CC[C@@H]1C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC000059364471 554392592 /nfs/dbraw/zinc/39/25/92/554392592.db2.gz PLOQAOPTFMOLKS-DHKNCFPNSA-N 1 0 711.900 6.984 40 0 KKABRO COc1ccc([C@@H]2[NH2+][C@@H](c3ccc(OC)cc3)C3C(=O)C2[C@@H](c2ccc(OC)cc2)N[C@@H]3c2ccc(OC)cc2)cc1 ZINC000059641109 554416788 /nfs/dbraw/zinc/41/67/88/554416788.db2.gz SJYGOTYPICEFKJ-HEOWHWMBSA-N 1 0 564.682 5.994 40 0 KKABRO Cc1ccc(S[C@]2(C[N@H+]3CCC[C@H](C)C3)COc3c(Br)cc(Br)cc3C2=O)cc1 ZINC000100954824 554538996 /nfs/dbraw/zinc/53/89/96/554538996.db2.gz SAZHBSVEMUSHAZ-QMHKHESXSA-N 1 0 539.333 6.358 40 0 KKABRO Cc1ccc(S[C@@]2(C[N@H+]3CCC[C@H](C)C3)COc3c(Br)cc(Br)cc3C2=O)cc1 ZINC000100954825 554539022 /nfs/dbraw/zinc/53/90/22/554539022.db2.gz SAZHBSVEMUSHAZ-HJPURHCSSA-N 1 0 539.333 6.358 40 0 KKABRO Cc1c(Br)cc2c(c1Br)OC[C@@](C[NH+]1CCCCC1)(Sc1ccc(Cl)cc1)C2=O ZINC000100972304 554544497 /nfs/dbraw/zinc/54/44/97/554544497.db2.gz FGOJFHNLMHOSRD-JOCHJYFZSA-N 1 0 559.751 6.766 40 0 KKABRO Clc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000100994316 554550627 /nfs/dbraw/zinc/55/06/27/554550627.db2.gz XRNLKNPVDYALRF-UHFFFAOYSA-N 1 0 556.113 7.653 40 0 KKABRO Cc1ccc2c(c1C)NC(=O)[C@]21[N@@H+]2CCC[C@@H]2[C@@H](C(=O)c2ccc(Br)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000101064459 554571707 /nfs/dbraw/zinc/57/17/07/554571707.db2.gz DSFLXWSYLKLABO-XSHKJCDBSA-N 1 0 556.460 5.081 40 0 KKABRO CCOc1cc(C[NH2+]CCCSc2nnnn2-c2ccccc2)cc(Br)c1OCc1ccccc1 ZINC000102558738 554966232 /nfs/dbraw/zinc/96/62/32/554966232.db2.gz OYZQGERSOYKFHA-UHFFFAOYSA-N 1 0 554.514 5.675 40 0 KKABRO COc1cc(C[NH2+]CCc2c[nH]c3ccccc23)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000102564142 554969543 /nfs/dbraw/zinc/96/95/43/554969543.db2.gz JBFCZMDTDONZNT-UHFFFAOYSA-N 1 0 534.281 7.157 40 0 KKABRO CCOc1cc(C[NH2+]CCc2ccc(OC)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000102566085 554970102 /nfs/dbraw/zinc/97/01/02/554970102.db2.gz CJYFANHMQBTNGE-UHFFFAOYSA-N 1 0 539.297 7.075 40 0 KKABRO COc1ccc(CC[NH2+]Cc2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1OC ZINC000102569729 554970175 /nfs/dbraw/zinc/97/01/75/554970175.db2.gz BYAGOGJNKUIJNZ-UHFFFAOYSA-N 1 0 555.296 6.693 40 0 KKABRO CCOc1cc(C[NH2+]Cc2ccccc2Cl)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000102571356 554970603 /nfs/dbraw/zinc/97/06/03/554970603.db2.gz UMSGDNLIKFNTLV-UHFFFAOYSA-N 1 0 529.689 7.677 40 0 KKABRO Clc1ccc(-c2nn(-c3ccccc3)cc2CNCC[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)cc1 ZINC000102584552 554973041 /nfs/dbraw/zinc/97/30/41/554973041.db2.gz FCOHQYFWVFCLBA-UHFFFAOYSA-N 1 0 593.562 7.578 40 0 KKABRO Cc1c(Br)cc2c(c1Br)OCC(CN1CCC[C@@H](C)C1)(C[N@@H+]1CCC[C@H](C)C1)C2=O ZINC000102676507 555004072 /nfs/dbraw/zinc/00/40/72/555004072.db2.gz WDTMDVAXGLOIFW-LDSCYUJKSA-N 1 0 542.356 5.545 40 0 KKABRO Cc1ccc2c(c1C)NC(=O)[C@]21[N@@H+]2CCC[C@@H]2[C@H](C(=O)c2ccc3ccccc3c2)[C@]12c1ccccc1NC2=O ZINC000102769215 555056689 /nfs/dbraw/zinc/05/66/89/555056689.db2.gz YOTKJXYNGWBHAW-VBHQRPIPSA-N 1 0 527.624 5.471 40 0 KKABRO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[NH2+][C@@H](Cc2c[nH]c3ccccc23)[C@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]21 ZINC000103520007 555425317 /nfs/dbraw/zinc/42/53/17/555425317.db2.gz RPUKYEYTCDNLPT-CMSZEEODSA-N 1 0 563.416 5.090 40 0 KKABRO COc1cccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc(OC)c(OC)c3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN23)c1 ZINC000103532571 555432928 /nfs/dbraw/zinc/43/29/28/555432928.db2.gz LRFSPTJODZRHEI-XMFJDCMESA-N 1 0 586.644 5.694 40 0 KKABRO CCCOc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccccc3)N3C=Cc4ccccc4[C@@H]3[C@@]23c2ccccc2NC3=O)cc1 ZINC000103288115 571361470 /nfs/dbraw/zinc/36/14/70/571361470.db2.gz BHTAONNSBUPQGY-XKEBTDTJSA-N 1 0 554.646 6.457 40 0 KKABRO CCCOc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccccc3OC)N3C=Cc4ccccc4[C@@H]3[C@@]23c2ccccc2NC3=O)cc1 ZINC000103288127 571361530 /nfs/dbraw/zinc/36/15/30/571361530.db2.gz WSIZNCCWQBZODB-CYPQMOBWSA-N 1 0 584.672 6.466 40 0 KKABRO COc1cccc(C(=O)[C@H]2[C@H](C(=O)c3cccc(OC)c3)[C@@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN23)c1 ZINC000103528690 571361768 /nfs/dbraw/zinc/36/17/68/571361768.db2.gz STOAPNMOTXHAIM-GYEXEWKGSA-N 1 0 556.618 5.686 40 0 KKABRO COc1ccc(-c2nn(-c3ccccc3)cc2CNCC[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)cc1 ZINC000104487910 571381239 /nfs/dbraw/zinc/38/12/39/571381239.db2.gz JGRZDQAHWMHLQU-UHFFFAOYSA-N 1 0 584.724 6.289 40 0 KKABRO Cc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)[C@@H]([NH2+]CCOc2ccc(C(C)(C)C)cc2)c2ccccc2)cc1 ZINC000104497405 571381364 /nfs/dbraw/zinc/38/13/64/571381364.db2.gz LHEUAZAVUDLWGE-ACHIHNKUSA-N 1 0 542.745 6.722 40 0 KKABRO Cc1ccc(S(=O)(=O)N[C@H](c2ccccc2)[C@@H]([NH2+]CCOc2ccc(C(C)(C)C)cc2)c2ccccc2)cc1 ZINC000104497407 571381392 /nfs/dbraw/zinc/38/13/92/571381392.db2.gz LHEUAZAVUDLWGE-AJQTZOPKSA-N 1 0 542.745 6.722 40 0 KKABRO O=C(NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1cccc2c(Br)cccc12 ZINC000104908014 571387153 /nfs/dbraw/zinc/38/71/53/571387153.db2.gz ZKALCTZNKXXVCE-UHFFFAOYSA-N 1 0 559.533 6.051 40 0 KKABRO COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000105318465 571400765 /nfs/dbraw/zinc/40/07/65/571400765.db2.gz OGNQMODGFLGQFY-UHFFFAOYSA-N 1 0 553.526 5.215 40 0 KKABRO CCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)cc1Br ZINC000105318400 571400902 /nfs/dbraw/zinc/40/09/02/571400902.db2.gz ITCRBSMQCQUTBX-UHFFFAOYSA-N 1 0 553.526 5.297 40 0 KKABRO COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000105318452 571400908 /nfs/dbraw/zinc/40/09/08/571400908.db2.gz GXAUOJZBKLHYME-UHFFFAOYSA-N 1 0 529.493 5.451 40 0 KKABRO O=C(NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000105318489 571401019 /nfs/dbraw/zinc/40/10/19/571401019.db2.gz AIYVSXGIGWLQHO-UHFFFAOYSA-N 1 0 565.526 6.702 40 0 KKABRO CC[NH+](CC)CCC[C@H](C)Nc1nc(/C=C/c2ccc(Br)c(Br)c2)nc2c(Cl)cccc12 ZINC000108081094 571422268 /nfs/dbraw/zinc/42/22/68/571422268.db2.gz VDGQWJGAXMBRNO-VSOYFRJCSA-N 1 0 580.796 7.901 40 0 KKABRO Cc1ccccc1C[NH+]1CCC(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2)CC1 ZINC000108521342 571425954 /nfs/dbraw/zinc/42/59/54/571425954.db2.gz HEEJFRLPLYGDPQ-UHFFFAOYSA-N 1 0 542.499 5.409 40 0 KKABRO Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)C3CC[NH+](Cc4ccc(Cl)cc4)CC3)cc2)cc1Cl ZINC000108555636 571426071 /nfs/dbraw/zinc/42/60/71/571426071.db2.gz CVTGRSOKHHERMG-UHFFFAOYSA-N 1 0 532.493 5.953 40 0 KKABRO CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(C)C4=C[C@@H](OC(=O)CC[NH+]5CCCCC5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000118918970 571445332 /nfs/dbraw/zinc/44/53/32/571445332.db2.gz CYIQITBIFVVIGC-QZYSPNBYSA-N 1 0 525.730 5.794 40 0 KKABRO CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(C)C4=C[C@H](OC(=O)CC[NH+]5C[C@H](C)C[C@@H](C)C5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000118919111 571445665 /nfs/dbraw/zinc/44/56/65/571445665.db2.gz CPJHDWYZEVQMHG-RXQRUKCWSA-N 1 0 553.784 6.286 40 0 KKABRO CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H]([NH+]4CCCCC4)C=C4C[C@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000123240784 571448381 /nfs/dbraw/zinc/44/83/81/571448381.db2.gz XSWCEFIPJIPPPW-MEITWGNVSA-N 1 0 573.906 9.718 40 0 KKABRO O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000139855940 571454048 /nfs/dbraw/zinc/45/40/48/571454048.db2.gz OXLPRPIZSRISQB-UHFFFAOYSA-N 1 0 532.493 5.101 40 0 KKABRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1 ZINC000139854997 571454061 /nfs/dbraw/zinc/45/40/61/571454061.db2.gz OVGBRLZNDGWLPI-UHFFFAOYSA-N 1 0 539.701 5.608 40 0 KKABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c2cc(Cl)ccc2C)cc1 ZINC000139872689 571454070 /nfs/dbraw/zinc/45/40/70/571454070.db2.gz NWZHJVQGUXKOES-UHFFFAOYSA-N 1 0 540.129 5.454 40 0 KKABRO O=C(CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000139870885 571454131 /nfs/dbraw/zinc/45/41/31/571454131.db2.gz MUMHEAFLVGOPAW-UHFFFAOYSA-N 1 0 580.072 5.856 40 0 KKABRO COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c2ccc(C)cc2)cc1Br ZINC000139875422 571454171 /nfs/dbraw/zinc/45/41/71/571454171.db2.gz GURLUOIVBUFJQM-UHFFFAOYSA-N 1 0 600.579 5.264 40 0 KKABRO CC(C)(C)C[C@@H]1[N@@H+]2[C@H](C(=O)O[C@@H](c3ccccc3)[C@H]2c2ccccc2)[C@@H](c2cccc(Cl)c2F)[C@]12C(=O)Nc1cc(Cl)ccc12 ZINC000150365400 571464562 /nfs/dbraw/zinc/46/45/62/571464562.db2.gz RPMFQFBFADLWIT-FLUSFWMSSA-N 1 0 643.586 8.635 40 0 KKABRO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)c(C)n1CCC[NH+]1CCOCC1 ZINC000224296722 571516088 /nfs/dbraw/zinc/51/60/88/571516088.db2.gz DADSHOUYLIDRKA-WUFINQPMSA-N 1 0 503.716 5.016 40 0 KKABRO O=C(NC(=S)Nc1ccc(N2CCN(Cc3ccccc3Cl)CC2)c(Cl)c1)c1sc2cc(Cl)ccc2c1Cl ZINC000150570195 571521410 /nfs/dbraw/zinc/52/14/10/571521410.db2.gz FGEPSMYXLFLLLK-UHFFFAOYSA-N 1 0 624.446 7.964 40 0 KKABRO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1CCC[NH+]1CCOCC1 ZINC000224363833 571530557 /nfs/dbraw/zinc/53/05/57/571530557.db2.gz WBBQQNHQHSLAGK-WDYNHAJCSA-N 1 0 517.743 5.523 40 0 KKABRO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1CCC[NH+]1CCOCC1 ZINC000224491606 571559035 /nfs/dbraw/zinc/55/90/35/571559035.db2.gz GIRSMXNJILOPHR-CLJLJLNGSA-N 1 0 554.558 5.162 40 0 KKABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c2cc(Cl)ccc2Cl)cc1 ZINC000224523623 571566155 /nfs/dbraw/zinc/56/61/55/571566155.db2.gz JJCYJFCUPPCDPS-UHFFFAOYSA-N 1 0 560.547 5.799 40 0 KKABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c2cccc(Cl)c2Cl)cc1 ZINC000224523551 571566163 /nfs/dbraw/zinc/56/61/63/571566163.db2.gz ZZZHGTGJAZKNDA-UHFFFAOYSA-N 1 0 560.547 5.799 40 0 KKABRO Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)N3CCCC4=C[C@H]5C[C@H](C[N@@H+]6CCCC[C@H]56)[C@@H]43)c(C)c21 ZINC000208197035 571573415 /nfs/dbraw/zinc/57/34/15/571573415.db2.gz APHKHMUMHREQEW-ZPBAHBDLSA-N 1 0 500.639 5.429 40 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/nfs/dbraw/zinc/02/28/82/1071022882.db2.gz NXSJBROOJWWLOK-NDEPHWFRSA-N 1 0 514.066 5.037 40 0 KKABRO CCc1nccn1CCCOc1cc(C[N@@H+]2CCC[C@](COc3ccc(C)cc3)(OC)CC2)ccc1OC ZINC000585271783 1071023336 /nfs/dbraw/zinc/02/33/36/1071023336.db2.gz OFLPUXDPJPUOOZ-HKBQPEDESA-N 1 0 521.702 5.682 40 0 KKABRO COc1cc(C[N@@H+]2CCC[C@](COc3ccccc3F)(OC)CC2)ccc1OCCCn1ccnc1C ZINC000585272399 1071029442 /nfs/dbraw/zinc/02/94/42/1071029442.db2.gz STTXSTKLILVHFG-LJAQVGFWSA-N 1 0 511.638 5.258 40 0 KKABRO COc1ccc(C[NH+]2CCC(COc3ccc(Cl)c(Cl)c3)(OC)CC2)cc1OCCCn1cccn1 ZINC000585274308 1071031267 /nfs/dbraw/zinc/03/12/67/1071031267.db2.gz IRJNWJPLCCGHAA-UHFFFAOYSA-N 1 0 534.484 5.728 40 0 KKABRO COc1cc(C[N@@H+]2CCC[C@](O)(COc3ccc(Cl)c(Cl)c3)CC2)ccc1OCCCn1cccn1 ZINC000585274812 1071030389 /nfs/dbraw/zinc/03/03/89/1071030389.db2.gz OLXAAYWQONGBBQ-HHHXNRCGSA-N 1 0 534.484 5.464 40 0 KKABRO COC1(COc2ccc(Cl)c(Cl)c2)CC[NH+](Cc2ccc(OCC3(O)CCCCC3)cc2)CC1 ZINC000585274641 1071030503 /nfs/dbraw/zinc/03/05/03/1071030503.db2.gz YZZCSBDMTHKPHL-UHFFFAOYSA-N 1 0 508.486 6.127 40 0 KKABRO Cc1cnn(CCCOc2ccc(C[N@@H+]3CCC[C@](O)(COc4ccc(Cl)c(Cl)c4)CC3)cc2)c1 ZINC000585274754 1071030619 /nfs/dbraw/zinc/03/06/19/1071030619.db2.gz ZAZLOGDTMMMRGJ-HHHXNRCGSA-N 1 0 518.485 5.763 40 0 KKABRO Cc1cc(OC[C@@]2(O)CCC[N@@H+](Cc3ccc(OCCn4c5ccccc5n(C)c4=O)cc3)C2)cc(C)c1Cl ZINC000585272768 1071027002 /nfs/dbraw/zinc/02/70/02/1071027002.db2.gz JLRIQUKEOJPNTE-WJOKGBTCSA-N 1 0 550.099 5.095 40 0 KKABRO O[C@@]1(COc2ccc(Cl)c(Cl)c2)CCC[N@H+](Cc2cccc(OCCCn3cccn3)c2)CC1 ZINC000585272699 1071028429 /nfs/dbraw/zinc/02/84/29/1071028429.db2.gz VMSZOZBFZVTWOC-SANMLTNESA-N 1 0 504.458 5.455 40 0 KKABRO COC1(COc2ccc(Cl)c(Cl)c2)CC[NH+](Cc2cccc(OCCCn3cccn3)c2)CC1 ZINC000585274323 1071031651 /nfs/dbraw/zinc/03/16/51/1071031651.db2.gz VTCDXZQFQDXFTC-UHFFFAOYSA-N 1 0 504.458 5.719 40 0 KKABRO Cc1ccn(CCCOc2ccc(C[NH+]3CCC(O)(COc4ccc(Cl)c(Cl)c4)CC3)cc2)n1 ZINC000585272063 1071032608 /nfs/dbraw/zinc/03/26/08/1071032608.db2.gz FHXIVQRBKUXPMP-UHFFFAOYSA-N 1 0 504.458 5.373 40 0 KKABRO COC1(COc2ccc(Cl)c(Cl)c2)CC[NH+](Cc2ccc(OCCn3ccnc3C)cc2)CC1 ZINC000585273542 1071033028 /nfs/dbraw/zinc/03/30/28/1071033028.db2.gz PHIOIRZAQRVUOK-UHFFFAOYSA-N 1 0 504.458 5.637 40 0 KKABRO C=C1[NH+]=C(SCC(=O)Nc2ccc(C)c(C)c2)N[C@H](c2cccc(Br)c2)C1C(=O)OCC ZINC000408986740 1071488861 /nfs/dbraw/zinc/48/88/61/1071488861.db2.gz DHMQFWDSONDOIC-JOCHJYFZSA-N 1 0 516.461 5.275 40 0 KKABRO Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)C3CC[NH+](Cc4cccc(Cl)c4)CC3)cc2)cc1Cl ZINC000408710390 1071508925 /nfs/dbraw/zinc/50/89/25/1071508925.db2.gz BHXBKZOIUHXCNR-UHFFFAOYSA-N 1 0 532.493 5.953 40 0 KKABRO O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000408710427 1071507402 /nfs/dbraw/zinc/50/74/02/1071507402.db2.gz ZIMMJGSGWNCOJZ-UHFFFAOYSA-N 1 0 586.463 6.664 40 0 KKABRO Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000408710410 1071507837 /nfs/dbraw/zinc/50/78/37/1071507837.db2.gz OUBGSGOXRPGYSG-UHFFFAOYSA-N 1 0 532.493 5.953 40 0 KKABRO CC1(C)COCCC[C@H]2C[N@H+](CCCc3ccccc3)CC[C@H]2CC(=O)N(CC2CCC(F)(F)CC2)C[C@@H]1O ZINC001534612540 1073171994 /nfs/dbraw/zinc/17/19/94/1073171994.db2.gz INWKAEGNXZPFKJ-AWCRTANDSA-N 1 0 548.759 5.799 40 0 KKABRO CC1(C)COCCC[C@H]2C[N@H+](Cc3ccc(Cl)c(F)c3)CC[C@H]2CC(=O)N(Cc2ccccc2)C[C@@H]1O ZINC001534612084 1073172255 /nfs/dbraw/zinc/17/22/55/1073172255.db2.gz GGDKMTYNGUAGIV-VBOOUTDYSA-N 1 0 531.112 5.534 40 0 KKABRO CC1(C)COCCC[C@H]2C[N@H+](Cc3ccc(OC(F)(F)F)cc3)CC[C@H]2CC(=O)N(CC2CCC(F)(F)CC2)C[C@@H]1O ZINC001534612689 1073172431 /nfs/dbraw/zinc/17/24/31/1073172431.db2.gz JWEFAJMXKMVFKC-KLJDGLGGSA-N 1 0 604.701 6.265 40 0 KKABRO COc1cc([C@H](CC(=O)N[C@H]2C[NH+]3CCC2CC3)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc(OC)c1OC ZINC001547139662 1073188594 /nfs/dbraw/zinc/18/85/94/1073188594.db2.gz XJJJDTIAPZNBTC-FAQZDJIUSA-N 1 0 664.796 5.338 40 0 KKABRO COc1ccc([C@H](CC(=O)N[C@@H]2C[NH+]3CCC2CC3)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc1 ZINC001547208924 1073192193 /nfs/dbraw/zinc/19/21/93/1073192193.db2.gz JOUKIHLICWFCAO-PWUSVURUSA-N 1 0 604.744 5.321 40 0 KKABRO CC(C)[N@H+](CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)C[C@H]1OC(n2cc(Br)c3c2ncnc3N)C(O)C1=O ZINC001560411648 1073196094 /nfs/dbraw/zinc/19/60/94/1073196094.db2.gz DUZYVZTZBXTSOH-HXUWFJFHSA-N 1 0 615.553 5.060 40 0 KKABRO CS(=O)(=O)N(Cc1ccc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1)c1cc(Cl)cc(Cl)c1 ZINC000224513513 193956202 /nfs/dbraw/zinc/95/62/02/193956202.db2.gz JYLXSHLXVMHZCG-UHFFFAOYSA-N 1 0 546.520 5.485 40 0 KKABRO O=C1c2cc(Br)cc(Br)c2OC[C@@]1(C[NH+]1CCCC1)Sc1ccc(Cl)cc1 ZINC000001102045 551608914 /nfs/dbraw/zinc/60/89/14/551608914.db2.gz KOPLMUZJHMYQSF-HXUWFJFHSA-N 1 0 531.697 6.067 40 0 KKABRO CCOC(=O)Nc1ccc2c(c1)N(C(=O)CC[NH2+]C13C[C@@H]4C[C@@H](CC(C)(C4)C1)C3)c1ccccc1S2 ZINC000001249192 551632218 /nfs/dbraw/zinc/63/22/18/551632218.db2.gz VDZHJFQXCMBCJI-ACTABUCYSA-N 1 0 505.684 6.723 40 0 KKABRO CC[C@H](c1nnnn1Cc1ccc(F)cc1)N(CCc1ccc(OC)c(OC)c1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374293 551653513 /nfs/dbraw/zinc/65/35/13/551653513.db2.gz QFHGJWBHGZUVGC-MUUNZHRXSA-N 1 0 570.669 5.224 40 0 KKABRO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)N(Cc1ccc(OC)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374273 551653534 /nfs/dbraw/zinc/65/35/34/551653534.db2.gz CUSRTKVWEGVVKZ-NDEPHWFRSA-N 1 0 526.616 5.173 40 0 KKABRO CC[C@H](c1nnnn1Cc1ccc(F)cc1)N(Cc1ccc(C)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374498 551654024 /nfs/dbraw/zinc/65/40/24/551654024.db2.gz KZALWDYSJUWKFW-MUUNZHRXSA-N 1 0 526.616 5.173 40 0 KKABRO CC[C@H](c1nnnn1Cc1ccccc1)N(Cc1ccc(C)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374718 551654564 /nfs/dbraw/zinc/65/45/64/551654564.db2.gz MOSDFRANALWARR-MUUNZHRXSA-N 1 0 508.626 5.033 40 0 KKABRO CC[C@H](c1nnnn1Cc1ccc(F)cc1)N(Cc1ccc(F)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374734 551654577 /nfs/dbraw/zinc/65/45/77/551654577.db2.gz OVRIOMKDDUMKSS-HHHXNRCGSA-N 1 0 530.579 5.003 40 0 KKABRO CC[C@@H](c1nnnn1Cc1ccccc1)N(Cc1ccc(OC)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000001375264 551656565 /nfs/dbraw/zinc/65/65/65/551656565.db2.gz RGBPUJZLIQIJFG-LJAQVGFWSA-N 1 0 522.653 5.342 40 0 KKABRO CC[C@H](c1nnnn1Cc1ccccc1)N(Cc1ccc2c(c1)OCO2)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000001375268 551656608 /nfs/dbraw/zinc/65/66/08/551656608.db2.gz ZKYZSGIULXREIQ-HHHXNRCGSA-N 1 0 536.636 5.062 40 0 KKABRO CC[C@@H](c1nnnn1C(C)(C)CC)N(Cc1ccc2c(c1)OCO2)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000001375412 551656904 /nfs/dbraw/zinc/65/69/04/551656904.db2.gz QBMKMYQZOIHPPM-QHCPKHFHSA-N 1 0 516.646 5.159 40 0 KKABRO COc1ccc(CC[N@H+](C)CCCOc2ccc(S(=O)(=O)c3c(C(C)C)cn4ccccc34)cc2)cc1OC ZINC000004215990 552449998 /nfs/dbraw/zinc/44/99/98/552449998.db2.gz ITAMRBIZWGDOHW-UHFFFAOYSA-N 1 0 550.721 5.856 40 0 in-man KKABRO CN1c2ccccc2C(C)(C)/C1=C\C=C\C(I)=C\C=C\C1=[N+](C)c2ccccc2C1(C)C ZINC000005389911 552500585 /nfs/dbraw/zinc/50/05/85/552500585.db2.gz QKMGLYIBOYLDFZ-UHFFFAOYSA-N 1 0 535.493 7.435 40 0 KKABRO CC[NH+](CC)CCCN(C(=O)CCN1CCCc2ccccc21)[C@@H](C(=O)NC1CCCCC1)c1ccc(F)cc1 ZINC000005946932 552515553 /nfs/dbraw/zinc/51/55/53/552515553.db2.gz ZJKKGWVCRSEWFV-JGCGQSQUSA-N 1 0 550.763 5.719 40 0 KKABRO CC(C)(C)NC(=O)[C@H](c1ccc(F)cc1)N(C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000006074880 552525541 /nfs/dbraw/zinc/52/55/41/552525541.db2.gz YRUOXWWQKXPUHS-PMERELPUSA-N 1 0 618.157 5.282 40 0 KKABRO CCCC[NH+](CCCC)C[C@@H](O)c1cc(-c2ccc(C(F)(F)F)cc2)nc(-c2ccc(C(F)(F)F)cc2)c1 ZINC000008649009 553107355 /nfs/dbraw/zinc/10/73/55/553107355.db2.gz RTUBXSRHTMHYRE-HHHXNRCGSA-N 1 0 538.576 8.389 40 0 KKABRO Cc1ccccc1C[NH+]1CCC(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3C)cc2)CC1 ZINC000009062942 553205268 /nfs/dbraw/zinc/20/52/68/553205268.db2.gz LZGBMURTRWLCHY-UHFFFAOYSA-N 1 0 512.075 5.608 40 0 KKABRO Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)C2CC[NH+](Cc3ccccc3F)CC2)cc1 ZINC000009063512 553205484 /nfs/dbraw/zinc/20/54/84/553205484.db2.gz SDEGWQJWWAHNBO-UHFFFAOYSA-N 1 0 516.038 5.439 40 0 KKABRO CC/C(=C(/c1ccc(I)cc1)c1ccc(OCC[NH+]2CCCC2)cc1)c1ccccc1 ZINC000011680636 553340223 /nfs/dbraw/zinc/34/02/23/553340223.db2.gz JJKOTMDDZAJTGQ-BYYHNAKLSA-N 1 0 523.458 7.135 40 0 KKABRO O=C1c2cccc3cccc(c32)C(=O)N1CC1CC[NH+](C[C@H](O)COc2ccc(C3CCCCC3)cc2)CC1 ZINC000012170494 553353230 /nfs/dbraw/zinc/35/32/30/553353230.db2.gz QCMXDQJFSHWVOR-MHZLTWQESA-N 1 0 526.677 5.635 40 0 KKABRO CC[C@@H](c1nnnn1CCc1ccccc1)N(Cc1ccc(C)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494840 553460562 /nfs/dbraw/zinc/46/05/62/553460562.db2.gz AECPMXXMPHVVKW-LJAQVGFWSA-N 1 0 520.681 5.836 40 0 KKABRO CC[C@@H](c1nnnn1C1CCCCC1)N(Cc1ccc(OC)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495111 553461281 /nfs/dbraw/zinc/46/12/81/553461281.db2.gz HPXKKBWLOAMDPE-SANMLTNESA-N 1 0 500.647 5.490 40 0 KKABRO CC1(C)[C@H]2CC[C@]1(C)C[N@H+](C[C@@H](O)Cn1c3ccccc3c3cc(I)ccc31)C2 ZINC000013633756 553478742 /nfs/dbraw/zinc/47/87/42/553478742.db2.gz ONISKAOMGDOZDW-SXMMONRFSA-N 1 0 502.440 5.518 40 0 KKABRO COc1cc(C)c(Sc2cnc(NC(=O)c3ccc(C[NH2+][C@@H](C)C(C)(C)C)cc3)s2)cc1C(=O)N1CCN(C(C)=O)CC1 ZINC000014191480 553506393 /nfs/dbraw/zinc/50/63/93/553506393.db2.gz ZHXNIYGJAOPMSO-NRFANRHFSA-N 1 0 623.845 5.692 40 0 in-vitro KKABRO CCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)cc1Cl ZINC000014277163 553509944 /nfs/dbraw/zinc/50/99/44/553509944.db2.gz FJRHNKALTYJLJV-UHFFFAOYSA-N 1 0 509.075 5.188 40 0 KKABRO O=C(C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(CSc2ccccc2)on1)N1CCC(Cc2ccccc2)CC1 ZINC000015673510 553534003 /nfs/dbraw/zinc/53/40/03/553534003.db2.gz RIRNCWLKNATPIQ-UIOOFZCWSA-N 1 0 503.712 5.607 40 0 biogenic,in-vitro KKABRO COc1cc(C[NH2+][C@@H](C)C23CC4CC(CC(C4)C2)C3)cc(Br)c1OCc1ccccc1Cl ZINC000016576127 553568431 /nfs/dbraw/zinc/56/84/31/553568431.db2.gz QNMHSGHYIOJDKR-AWYKWWOESA-N 1 0 518.923 7.385 40 0 KKABRO CCOc1cc(C[NH2+]CCc2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000016688552 553573129 /nfs/dbraw/zinc/57/31/29/553573129.db2.gz APODKGUBASOIKJ-UHFFFAOYSA-N 1 0 509.271 7.066 40 0 KKABRO CCOc1cc(C[NH2+]CCc2c[nH]c3ccccc23)cc(Br)c1OCc1ccccc1Cl ZINC000016688667 553573269 /nfs/dbraw/zinc/57/32/69/553573269.db2.gz RFAYDOOLNRMORL-UHFFFAOYSA-N 1 0 513.863 6.894 40 0 KKABRO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)C[n+]1c2ccccc2n(C)c1COc1ccc(Br)cc1 ZINC000017466843 553596760 /nfs/dbraw/zinc/59/67/60/553596760.db2.gz BJYBBFVRKCVANY-WPWBMXPQSA-N 1 0 514.484 5.811 40 0 KKABRO COc1ccccc1C[NH+](Cc1ccccc1OC)[C@H]1C[C@@H](Cc2cc(CN3CCOCC3)on2)C1(C)C ZINC000072320749 553648021 /nfs/dbraw/zinc/64/80/21/553648021.db2.gz KGPBHAJPAQAIJB-RNAHPLFWSA-N 1 0 519.686 5.184 40 0 biogenic,in-vitro KKABRO CCOC(=O)[C@@]12C[N@H+](C34CC5CC(CC(C5)C3)C4)C[C@@](C(=O)OCC)(C1=O)[C@H](c1ccccc1)O[C@@H]2c1ccccc1 ZINC000073280795 553652509 /nfs/dbraw/zinc/65/25/09/553652509.db2.gz JKJUPHVYTNXPOR-IRQMOPOFSA-N 1 0 571.714 5.452 40 0 KKABRO COc1ccccc1OCC[NH2+]C[C@@H](O)COc1cccc2c1c1ccccc1n2C[C@@H](O)COc1cccc2[nH]c3ccccc3c21 ZINC000077285265 553657797 /nfs/dbraw/zinc/65/77/97/553657797.db2.gz USBVSUHNTUBUMY-KAYWLYCHSA-N 1 0 645.756 6.286 40 0 in-vitro KKABRO COc1ccc(CCNC(=O)c2ccccc2NC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc1OC ZINC000020488307 553659426 /nfs/dbraw/zinc/65/94/26/553659426.db2.gz NMBPFRSULBLSLY-QFIPXVFZSA-N 1 0 515.654 5.161 40 0 KKABRO COc1ccc(CCNC(=O)c2ccccc2NC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1OC ZINC000020488304 553659438 /nfs/dbraw/zinc/65/94/38/553659438.db2.gz NMBPFRSULBLSLY-JOCHJYFZSA-N 1 0 515.654 5.161 40 0 KKABRO Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C[N@H+]4CCC[C@@H](C)C4)cc3)cc2)cc1Cl ZINC000020494792 553667314 /nfs/dbraw/zinc/66/73/14/553667314.db2.gz GUOCFUDFWJFYGV-LJQANCHMSA-N 1 0 512.075 5.933 40 0 KKABRO CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(C[N@@H+]4CCc5ccccc5C4)cc3)c2)cc1 ZINC000020046234 553669979 /nfs/dbraw/zinc/66/99/79/553669979.db2.gz HCXIVKXUVZGABX-UHFFFAOYSA-N 1 0 517.673 7.047 40 0 KKABRO CCOC(=O)C(C)(C)c1ccc(C(=O)CCC[NH+]2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000021982041 553722545 /nfs/dbraw/zinc/72/25/45/553722545.db2.gz WUWWDNWDODGALA-UHFFFAOYSA-N 1 0 527.705 6.138 40 0 KKABRO CCOc1cc(C[NH2+][C@H](C)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000022074175 553725742 /nfs/dbraw/zinc/72/57/42/553725742.db2.gz CRQMALZIEMGIME-MRXNPFEDSA-N 1 0 509.271 7.584 40 0 KKABRO COc1ccc(C[NH2+]Cc2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 ZINC000022076739 553725798 /nfs/dbraw/zinc/72/57/98/553725798.db2.gz VMNRUOSDANJYSC-UHFFFAOYSA-N 1 0 511.243 6.642 40 0 KKABRO Fc1ccc(COc2ccc(Br)cc2C[NH2+]CCSc2nnnn2-c2ccccc2)cc1 ZINC000022107891 553726135 /nfs/dbraw/zinc/72/61/35/553726135.db2.gz QDYGLRZBJDWQPA-UHFFFAOYSA-N 1 0 514.424 5.025 40 0 KKABRO CCOc1cc(C[NH2+]CCSc2nnnn2-c2ccccc2)cc(Cl)c1OCc1ccccc1F ZINC000022107928 553726140 /nfs/dbraw/zinc/72/61/40/553726140.db2.gz DUAXDMLJGNSXLF-UHFFFAOYSA-N 1 0 514.026 5.314 40 0 KKABRO Clc1ccc(COc2cccc(C[NH2+]CCCSc3nnnn3-c3ccccc3)c2)c(Cl)c1 ZINC000022108918 553726453 /nfs/dbraw/zinc/72/64/53/553726453.db2.gz LDNCMDXUHMKDGG-UHFFFAOYSA-N 1 0 500.455 5.820 40 0 KKABRO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)cc2c1 ZINC000022866482 553763657 /nfs/dbraw/zinc/76/36/57/553763657.db2.gz UWOFYLZERAXXQQ-DHUJRADRSA-N 1 0 595.751 5.622 40 0 KKABRO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)cc2c1 ZINC000022871726 553765593 /nfs/dbraw/zinc/76/55/93/553765593.db2.gz OJUQEVJHABXDKE-JGCGQSQUSA-N 1 0 559.718 5.435 40 0 KKABRO O[C@H](Cn1c2ccc(Br)cc2c2cc(Br)ccc21)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000027440008 553825536 /nfs/dbraw/zinc/82/55/36/553825536.db2.gz DQZDNDPDJPCEBB-NRFANRHFSA-N 1 0 561.293 5.642 40 0 KKABRO COc1cc2c3c(c1O)Oc1cc4c(cc1OC)CC[N@@H+](C)[C@H]4Cc1ccc(cc1)Oc1cc(ccc1O)C[C@H]3N(C)CC2 ZINC000030725991 553855471 /nfs/dbraw/zinc/85/54/71/553855471.db2.gz XGEAUXVPBXUBKN-WUFINQPMSA-N 1 0 594.708 6.556 40 0 biogenic,in-vitro KKABRO COc1cccc([C@H](C[NH2+]C[C@@H](O)COCC2=CC[C@H]3C[C@@H]2C3(C)C)c2c[nH]c3ccccc32)c1OC ZINC000033766833 553972716 /nfs/dbraw/zinc/97/27/16/553972716.db2.gz ZPTIJSFNYJUOAG-JCPVEWQXSA-N 1 0 504.671 5.277 40 0 KKABRO C[NH+]1CCN(c2ccccc2NC(=S)NC(=O)C=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)CC1 ZINC000033861701 553975503 /nfs/dbraw/zinc/97/55/03/553975503.db2.gz CETYBLNDZZSHOU-DHZHZOJOSA-N 1 0 515.466 5.532 40 0 KKABRO O[C@@H](COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000034930645 554033248 /nfs/dbraw/zinc/03/32/48/554033248.db2.gz IRQJPSIEYGADPC-WILXQHBCSA-N 1 0 536.760 6.301 40 0 KKABRO CC[C@H](c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1)N(CCC[NH+](C)C)C(=O)c1ccc(Br)cc1 ZINC000014163016 561737020 /nfs/dbraw/zinc/73/70/20/561737020.db2.gz PZVLDHUUSWUATQ-HHHXNRCGSA-N 1 0 595.969 6.406 40 0 KKABRO Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)NCCC[NH+]2CCCCCC2)cc1)S(=O)(=O)c1ccccc1 ZINC000100085614 554208734 /nfs/dbraw/zinc/20/87/34/554208734.db2.gz AXBAGUPAOMQRIU-UHFFFAOYSA-N 1 0 554.156 6.040 40 0 KKABRO CC(C)C[C@H]1[NH2+][C@@]2(c3ccccc3N(Cc3ccccc3F)C2=O)[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]12 ZINC000100122539 554224684 /nfs/dbraw/zinc/22/46/84/554224684.db2.gz CTAJWSNPWCGOIY-SOFFMGJWSA-N 1 0 532.015 5.045 40 0 KKABRO O=C([C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000038864674 554278220 /nfs/dbraw/zinc/27/82/20/554278220.db2.gz RSPUYDAFOUDYJP-SANMLTNESA-N 1 0 522.520 6.139 40 0 KKABRO O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000039768063 554280599 /nfs/dbraw/zinc/28/05/99/554280599.db2.gz XAZKHTXFHWTNCI-UHFFFAOYSA-N 1 0 518.466 5.645 40 0 KKABRO O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000039765459 554280699 /nfs/dbraw/zinc/28/06/99/554280699.db2.gz AUHRXMWUJQBQOU-UHFFFAOYSA-N 1 0 518.466 5.645 40 0 KKABRO CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(N2CC[NH+](C)CC2)cc1-c1ccccc1CO ZINC000043132223 554297456 /nfs/dbraw/zinc/29/74/56/554297456.db2.gz CUGOZHKFGSQBGD-UHFFFAOYSA-N 1 0 594.600 5.971 40 0 KKABRO C[NH+](C)Cc1ccc(-c2cnn3c2nccc3-c2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)cc1 ZINC000044669088 554302500 /nfs/dbraw/zinc/30/25/00/554302500.db2.gz AIWJVLQNYNCDSL-UHFFFAOYSA-N 1 0 515.539 6.396 40 0 in-vitro KKABRO Cc1ccc(N(CC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000044874199 554307002 /nfs/dbraw/zinc/30/70/02/554307002.db2.gz APJBFNHNLOZCNS-UHFFFAOYSA-N 1 0 526.102 5.146 40 0 KKABRO Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)NCc3ccc(C[NH+]4CCCCC4)cc3)ccc2C)c1 ZINC000044874273 554307045 /nfs/dbraw/zinc/30/70/45/554307045.db2.gz WHRZSBJVXPEUMC-UHFFFAOYSA-N 1 0 505.684 5.329 40 0 KKABRO Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000044946781 554310357 /nfs/dbraw/zinc/31/03/57/554310357.db2.gz YJTVHGQZXZZZJB-IBGZPJMESA-N 1 0 512.075 5.933 40 0 KKABRO CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000057315678 554354512 /nfs/dbraw/zinc/35/45/12/554354512.db2.gz GUNDMFWGCQQDOV-UHFFFAOYSA-N 1 0 508.460 5.567 40 0 KKABRO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)N(CCc1cccc(C)c1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000100376985 554360304 /nfs/dbraw/zinc/36/03/04/554360304.db2.gz JNBKROUYCWSQMO-GDLZYMKVSA-N 1 0 536.680 5.384 40 0 KKABRO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)N(CCc1ccccc1C)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000100376823 554360342 /nfs/dbraw/zinc/36/03/42/554360342.db2.gz UBDKFFORLKCFHQ-SSEXGKCCSA-N 1 0 536.680 5.384 40 0 KKABRO CC[C@@H](c1nnnn1C1CCCCC1)N(Cc1ccc(OC)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000057641139 554361497 /nfs/dbraw/zinc/36/14/97/554361497.db2.gz HVZUUKHGUJJBIM-MHZLTWQESA-N 1 0 516.646 5.191 40 0 KKABRO CC[C@H]1C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC000059364473 554392635 /nfs/dbraw/zinc/39/26/35/554392635.db2.gz PLOQAOPTFMOLKS-SPVIGGFHSA-N 1 0 711.900 6.984 40 0 KKABRO Cc1ccc(C(=O)N/C(=C/c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)C(=O)NCC(C)(C)C[NH+](C)C)cc1 ZINC000100455063 554395937 /nfs/dbraw/zinc/39/59/37/554395937.db2.gz MRERKXSSSTUREQ-BUVRLJJBSA-N 1 0 562.032 6.402 40 0 KKABRO CCN1c2ccc3ccccc3c2S/C1=C\C=C1\CCC(/C=C\c2sc3c(ccc4ccccc34)[n+]2CC)=C1Cl ZINC000059608250 554410778 /nfs/dbraw/zinc/41/07/78/554410778.db2.gz LDBJLDYKNIVFQL-UHFFFAOYSA-N 1 0 578.226 10.215 40 0 KKABRO Cc1ccc2c(c1C)NC(=O)[C@]21[N@@H+]2CCC[C@@H]2[C@@H](C(=O)c2ccc3ccccc3c2)[C@@]12c1ccccc1NC2=O ZINC000059932651 554481776 /nfs/dbraw/zinc/48/17/76/554481776.db2.gz YOTKJXYNGWBHAW-XWXJLYGMSA-N 1 0 527.624 5.471 40 0 KKABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3)cc2)C1 ZINC000060028502 554492944 /nfs/dbraw/zinc/49/29/44/554492944.db2.gz CQWXAVSSLWHTGB-SFHVURJKSA-N 1 0 566.045 6.644 40 0 KKABRO CCC(=O)c1cc2n(c(=O)c1C)Cc1c-2nc2ccc(OC(=O)N3CCC([NH+]4CCCCC4)CC3)cc2c1CC ZINC000067665099 554533354 /nfs/dbraw/zinc/53/33/54/554533354.db2.gz LAGQSGUHQCAPMY-UHFFFAOYSA-N 1 0 542.680 5.338 40 0 in-vitro KKABRO CC1=C[C@@H](C[NH+]2CCN(c3ncccn3)CC2)[C@H](C(C)C)C[C@H]1Cc1nnc(Cc2c[nH]c3ccccc23)o1 ZINC000067890460 554535051 /nfs/dbraw/zinc/53/50/51/554535051.db2.gz IDKLKJAYZZELNW-RMDSEJHCSA-N 1 0 525.701 5.151 40 0 biogenic,in-vitro KKABRO C[NH+]1CCN(c2nc3ccc(Cl)cc3c(-c3ccccc3)c2-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)CC1 ZINC000100947182 554535186 /nfs/dbraw/zinc/53/51/86/554535186.db2.gz XCRLAUAOKSLLEK-UHFFFAOYSA-N 1 0 575.543 8.843 40 0 KKABRO O=C(NCCCN1CC[NH+](CCCNC(=O)Nc2ccc(Cl)c(Cl)c2)CC1)Nc1ccc(Cl)c(Cl)c1 ZINC000100981501 554547649 /nfs/dbraw/zinc/54/76/49/554547649.db2.gz TZSUFDCNOMZVED-UHFFFAOYSA-N 1 0 576.356 5.641 40 0 KKABRO O=C(NCCCN1CC[NH+](CCCNC(=O)Nc2cccc(C(F)(F)F)c2)CC1)Nc1cccc(C(F)(F)F)c1 ZINC000100981494 554547657 /nfs/dbraw/zinc/54/76/57/554547657.db2.gz COYOEJCTZUWKNU-UHFFFAOYSA-N 1 0 574.570 5.065 40 0 KKABRO Cc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1Cl ZINC000100994357 554550569 /nfs/dbraw/zinc/55/05/69/554550569.db2.gz MZPRAJCYIIDPLG-UHFFFAOYSA-N 1 0 570.140 7.961 40 0 KKABRO CCOc1ccc([C@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000101017502 554561114 /nfs/dbraw/zinc/56/11/14/554561114.db2.gz JPTCFRVXMOPVRI-JGCGQSQUSA-N 1 0 538.757 8.060 40 0 KKABRO Cc1ccc(N(C(=O)C[N@H+](CCO)C2CCCCC2)[C@@H]2C[C@@H](C)N(C(=O)c3ccco3)c3ccc(C)cc32)cc1 ZINC000101994100 554864714 /nfs/dbraw/zinc/86/47/14/554864714.db2.gz YJXLQFWGGIPOKB-FYBSXPHGSA-N 1 0 543.708 6.037 40 0 KKABRO CCOc1cc(C[NH2+]CCCSc2nnnn2-c2ccccc2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000102558653 554965900 /nfs/dbraw/zinc/96/59/00/554965900.db2.gz YWGSTMOFCPVFEE-UHFFFAOYSA-N 1 0 528.053 5.705 40 0 KKABRO COc1cc(C[NH2+]CCCSc2nnnn2-c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000102558819 554966176 /nfs/dbraw/zinc/96/61/76/554966176.db2.gz KVKQTJRUEJOKBV-UHFFFAOYSA-N 1 0 609.377 6.591 40 0 KKABRO COc1cc(C[NH2+]CCSc2nnnn2-c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000102559281 554966502 /nfs/dbraw/zinc/96/65/02/554966502.db2.gz QDOCLBCQIMXSEE-UHFFFAOYSA-N 1 0 550.899 6.092 40 0 KKABRO COc1cc(C[NH2+]CCSc2nnnn2-c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000102559411 554966830 /nfs/dbraw/zinc/96/68/30/554966830.db2.gz UHKXUATZIGSMBE-UHFFFAOYSA-N 1 0 595.350 6.201 40 0 KKABRO CCOc1cc(C[NH2+]CCSc2nnnn2-c2ccccc2)cc(Br)c1OCc1ccccc1Cl ZINC000102559349 554966895 /nfs/dbraw/zinc/96/68/95/554966895.db2.gz LRGZZAHFPGFTEY-UHFFFAOYSA-N 1 0 574.932 5.938 40 0 KKABRO CCOc1cc(C[NH2+]Cc2ccc(OC)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000102560002 554967577 /nfs/dbraw/zinc/96/75/77/554967577.db2.gz QSCTWPBIWRHDAU-UHFFFAOYSA-N 1 0 525.270 7.032 40 0 KKABRO COc1cc(C[NH2+]Cc2ccc3c(c2)OCO3)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000102567365 554970084 /nfs/dbraw/zinc/97/00/84/554970084.db2.gz SHHJQDLKZSQBQT-UHFFFAOYSA-N 1 0 525.226 6.362 40 0 KKABRO Cc1cc(Cl)cc2c1NC(=O)[C@]21[NH2+][C@@H](Cc2c[nH]c3ccccc23)[C@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]21 ZINC000103520004 555425360 /nfs/dbraw/zinc/42/53/60/555425360.db2.gz RPUKYEYTCDNLPT-SEAFADMZSA-N 1 0 563.416 5.090 40 0 KKABRO CCC(CC)c1cc([C@H]2C[N@@H+]3CC[C@H]2C[C@@H]3CNC(=O)Nc2ccc(C(C)=O)cc2)nc(-c2ccncc2)n1 ZINC000008623031 565097244 /nfs/dbraw/zinc/09/72/44/565097244.db2.gz MSZXTWAIVPRXLB-OIKPOIBNSA-N 1 0 526.685 5.644 40 0 biogenic,in-vitro KKABRO Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)C3CC[NH+](Cc4cccc(Cl)c4)CC3)cc2)cc1C ZINC000009063328 571360541 /nfs/dbraw/zinc/36/05/41/571360541.db2.gz PYOLPHFBOVGHOS-UHFFFAOYSA-N 1 0 512.075 5.608 40 0 KKABRO CCCOc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccccc3OC)N3C=Cc4ccccc4[C@@H]3[C@@]23c2ccccc2NC3=O)cc1 ZINC000103288122 571361483 /nfs/dbraw/zinc/36/14/83/571361483.db2.gz WSIZNCCWQBZODB-YUIGLEDNSA-N 1 0 584.672 6.466 40 0 KKABRO CCCOc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccccc3)N3C=Cc4ccccc4[C@@H]3[C@@]23c2ccccc2NC3=O)cc1 ZINC000103288110 571361604 /nfs/dbraw/zinc/36/16/04/571361604.db2.gz BHTAONNSBUPQGY-LRXFEKEMSA-N 1 0 554.646 6.457 40 0 KKABRO O=C(c1ccccc1Cl)[C@H]1C(=C([O-])c2cc3ccccc3o2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN12 ZINC000103528031 571361716 /nfs/dbraw/zinc/36/17/16/571361716.db2.gz KFHVULANIPBEHT-GYEXEWKGSA-N 1 0 571.032 7.068 40 0 KKABRO COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=S)NC(=O)C=Cc2ccc(-c3cccc(Cl)c3Cl)o2)c1 ZINC000105303207 571392810 /nfs/dbraw/zinc/39/28/10/571392810.db2.gz UJGMWBZNTNDWQS-DHZHZOJOSA-N 1 0 573.502 5.318 40 0 KKABRO O=C(/C=C/c1ccc(-c2cccc(Cl)c2Cl)o1)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000105322712 571403165 /nfs/dbraw/zinc/40/31/65/571403165.db2.gz UEVGVAMZFDMXCZ-JQIJEIRASA-N 1 0 532.471 7.228 40 0 KKABRO Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3)CC2)cc1 ZINC000108587077 571426494 /nfs/dbraw/zinc/42/64/94/571426494.db2.gz LRLJPCIHUNLKHI-UHFFFAOYSA-N 1 0 531.600 5.665 40 0 KKABRO CC(=O)O[C@H]1[C@@H](C2(C)CCCCC2)C[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)[C@@H]([NH+]5CCCCC5)C[C@]4(C)[C@H]3CC[C@@]21C ZINC000118913723 571443713 /nfs/dbraw/zinc/44/37/13/571443713.db2.gz VMSFHQGSMZZKJW-KQJXYZLESA-N 1 0 555.844 7.553 40 0 KKABRO CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(C)C4=C[C@H](OC(=O)CC[N@H+]5C[C@H](C)C[C@H](C)C5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000118919109 571445600 /nfs/dbraw/zinc/44/56/00/571445600.db2.gz CPJHDWYZEVQMHG-OUFYMKOZSA-N 1 0 553.784 6.286 40 0 KKABRO CS(=O)(=O)N(Cc1ccc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1)c1cccc(Cl)c1Cl ZINC000139860197 571454101 /nfs/dbraw/zinc/45/41/01/571454101.db2.gz JPDMIXFXHAVBTO-UHFFFAOYSA-N 1 0 546.520 5.485 40 0 KKABRO COc1ccc(N(CC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000139873201 571454193 /nfs/dbraw/zinc/45/41/93/571454193.db2.gz BQHQSEQDOZFGFY-UHFFFAOYSA-N 1 0 556.128 5.155 40 0 KKABRO CCOc1ccc(N(CC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)S(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000139875105 571454239 /nfs/dbraw/zinc/45/42/39/571454239.db2.gz PIMWEZIDDBNSDB-UHFFFAOYSA-N 1 0 567.777 5.305 40 0 KKABRO CC(C)(C)c1ccc2c(c1)N(S(=O)(=O)c1ccccc1)C[C@H](C(=O)NCc1ccc(C[NH+]3CCCCC3)cc1)O2 ZINC000139889097 571454318 /nfs/dbraw/zinc/45/43/18/571454318.db2.gz IXPQWELSJDMTQR-SSEXGKCCSA-N 1 0 561.748 5.243 40 0 KKABRO CC(C)C[NH+](Cc1c(OC(=O)c2ccc(Cl)cc2Cl)ccc2c(=O)c(Oc3ccc(Cl)cc3)c(C(F)(F)F)oc21)CC(C)C ZINC000150389055 571471456 /nfs/dbraw/zinc/47/14/56/571471456.db2.gz JYNDINZIVMUNBA-UHFFFAOYSA-N 1 0 670.939 9.898 40 0 KKABRO O=C(Nc1nnc(SCc2ccccc2)s1)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000223480970 571484155 /nfs/dbraw/zinc/48/41/55/571484155.db2.gz LYBMZVFBZYGXLK-UHFFFAOYSA-N 1 0 514.720 6.537 40 0 KKABRO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c(C)n1CCC[NH+]1CCOCC1 ZINC000224264045 571509530 /nfs/dbraw/zinc/50/95/30/571509530.db2.gz BMYRMQXRUKIWLP-NSOVKSMOSA-N 1 0 503.716 5.016 40 0 KKABRO CC(C)(C)C[C@@H]1[N@@H+]2[C@H](C(=O)O[C@H](c3ccccc3)[C@@H]2c2ccccc2)[C@H](c2cccc(Cl)c2F)[C@]12C(=O)Nc1cc(Cl)ccc12 ZINC000150663380 571528163 /nfs/dbraw/zinc/52/81/63/571528163.db2.gz RPMFQFBFADLWIT-QZPCWIGHSA-N 1 0 643.586 8.635 40 0 KKABRO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c(C)n1CCC[NH+]1CCOCC1 ZINC000224491693 571559005 /nfs/dbraw/zinc/55/90/05/571559005.db2.gz GIRSMXNJILOPHR-IZZNHLLZSA-N 1 0 554.558 5.162 40 0 KKABRO Cc1cc(C)cc(N(Cc2ccc(C(=O)NCc3ccc(C[NH+]4CCCCC4)cc3)cc2)S(C)(=O)=O)c1 ZINC000224533060 571568130 /nfs/dbraw/zinc/56/81/30/571568130.db2.gz ITKHEZGZJCMJLI-UHFFFAOYSA-N 1 0 519.711 5.186 40 0 KKABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4cccc(Cl)c4Cl)cc3)cc2)C1 ZINC000215978067 571590384 /nfs/dbraw/zinc/59/03/84/571590384.db2.gz NUBLTKWEMDLUEY-GOSISDBHSA-N 1 0 532.493 6.278 40 0 KKABRO CC1CC[NH+](Cc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4cc(Cl)cc(Cl)c4)cc3)cc2)CC1 ZINC000216008924 571591721 /nfs/dbraw/zinc/59/17/21/571591721.db2.gz PDWCSQRKVGVOBI-UHFFFAOYSA-N 1 0 532.493 6.278 40 0 KKABRO CCc1ccccc1N(CC(=O)NCc1cccc(C[NH+]2CCCCC2)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000224650992 571595482 /nfs/dbraw/zinc/59/54/82/571595482.db2.gz KDTPDDVVIASJGW-UHFFFAOYSA-N 1 0 519.711 5.055 40 0 KKABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2cccc(C[NH+]3CCCCC3)c2)c2ccc(Cl)cc2C)cc1 ZINC000224652310 571595932 /nfs/dbraw/zinc/59/59/32/571595932.db2.gz UMROEUWSAFBGLC-UHFFFAOYSA-N 1 0 540.129 5.454 40 0 KKABRO Cc1cccc(N(CC(=O)NCc2cccc(C[NH+]3CCCCC3)c2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000224661915 571598143 /nfs/dbraw/zinc/59/81/43/571598143.db2.gz JSHWSAZAMQDZHX-UHFFFAOYSA-N 1 0 526.102 5.146 40 0 KKABRO Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)NCc3cccc(C[NH+]4CCCCC4)c3)ccc2C)c1 ZINC000224663063 571598556 /nfs/dbraw/zinc/59/85/56/571598556.db2.gz YVRAHRAJJNUENR-UHFFFAOYSA-N 1 0 505.684 5.329 40 0 KKABRO COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(CCC[NH+]3CCOCC3)c2C)cc1Cl ZINC000224048225 571601862 /nfs/dbraw/zinc/60/18/62/571601862.db2.gz GKTIKESSUKELDK-WDYNHAJCSA-N 1 0 584.186 5.078 40 0 KKABRO Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)NCc3cccc(C[NH+]4CCCCC4)c3)c2)cc1 ZINC000224681482 571602524 /nfs/dbraw/zinc/60/25/24/571602524.db2.gz AMTYRTDUGRWJKP-UHFFFAOYSA-N 1 0 512.075 5.365 40 0 KKABRO Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCc3cccc(C[NH+]4CCCCC4)c3)Oc3ccc(C(C)(C)C)cc32)cc1 ZINC000224684496 571603342 /nfs/dbraw/zinc/60/33/42/571603342.db2.gz BAEQSTCIDDDHKZ-HKBQPEDESA-N 1 0 575.775 5.551 40 0 KKABRO Cc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cccn3-c3cc[nH+]cc3)cc2)cc1 ZINC000224696465 571606098 /nfs/dbraw/zinc/60/60/98/571606098.db2.gz BCJSZWBKEVXEIQ-URLMMPGGSA-N 1 0 503.631 6.545 40 0 KKABRO O=c1sc2cc(S(=O)(=O)NCc3cccc(C[NH+]4CCCCC4)c3)ccc2n1Cc1ccc(Cl)cc1 ZINC000224705789 571606979 /nfs/dbraw/zinc/60/69/79/571606979.db2.gz KLJFHPSLBHBZKL-UHFFFAOYSA-N 1 0 542.126 5.229 40 0 KKABRO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)n1CCC[NH+]1CCOCC1 ZINC000224087116 571608080 /nfs/dbraw/zinc/60/80/80/571608080.db2.gz INIPNWOESDGTSW-LOYHVIPDSA-N 1 0 574.795 5.302 40 0 KKABRO COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cccn3-c3cc[nH+]cc3)cc2)cc1 ZINC000224730602 571612068 /nfs/dbraw/zinc/61/20/68/571612068.db2.gz BBQSVPHJTWOKSP-WDYNHAJCSA-N 1 0 519.630 6.245 40 0 KKABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2C[NH+]2CCCC2)c2cccc(C(F)(F)F)c2)cc1 ZINC000224763338 571614900 /nfs/dbraw/zinc/61/49/00/571614900.db2.gz OPYWAXCXAGAAJD-UHFFFAOYSA-N 1 0 545.627 5.121 40 0 KKABRO O=C(NCc1ccccc1C[NH+]1CCCC1)c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1 ZINC000224768663 571615329 /nfs/dbraw/zinc/61/53/29/571615329.db2.gz HGPAGYLCNCJSDP-UHFFFAOYSA-N 1 0 539.701 5.608 40 0 KKABRO Cc1cc(Cl)ccc1N(CC(=O)NCc1ccccc1C[NH+]1CCCCC1)S(=O)(=O)c1ccccc1 ZINC000224810094 571619236 /nfs/dbraw/zinc/61/92/36/571619236.db2.gz SSQHBGQNNDIVLC-UHFFFAOYSA-N 1 0 526.102 5.146 40 0 KKABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2C[NH+]2CCCCC2)c2cccc(C(F)(F)F)c2)cc1 ZINC000224812327 571619473 /nfs/dbraw/zinc/61/94/73/571619473.db2.gz IKTVXZVNPLQJRB-UHFFFAOYSA-N 1 0 559.654 5.511 40 0 KKABRO CSc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2C[NH+]2CCCCC2)c2ccc(C)cc2)cc1 ZINC000224816778 571619851 /nfs/dbraw/zinc/61/98/51/571619851.db2.gz AXIPKMHGXMLDJI-UHFFFAOYSA-N 1 0 537.751 5.215 40 0 KKABRO COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2C[NH+]2CCCCC2)c2ccc(C)cc2)cc1Br ZINC000224816841 571619857 /nfs/dbraw/zinc/61/98/57/571619857.db2.gz IHONDZZGAWSQOI-UHFFFAOYSA-N 1 0 600.579 5.264 40 0 KKABRO COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(CCC[NH+]3CCOCC3)c2C)cc1Cl ZINC000224955034 571633476 /nfs/dbraw/zinc/63/34/76/571633476.db2.gz JVMREJNUAFNHOH-RRPNLBNLSA-N 1 0 540.133 5.061 40 0 KKABRO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1CCC[NH+]1CCOCC1 ZINC000225367101 571731119 /nfs/dbraw/zinc/73/11/19/571731119.db2.gz LFEGCCAZKIOKPE-IOWSJCHKSA-N 1 0 559.780 5.721 40 0 KKABRO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1CCC[NH+]1CCOCC1 ZINC000225367071 571731220 /nfs/dbraw/zinc/73/12/20/571731220.db2.gz LFEGCCAZKIOKPE-JSOSNVBQSA-N 1 0 559.780 5.721 40 0 KKABRO Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCc3cccc(C[NH+]4CCCCC4)c3)Oc3ccc(C(C)(C)C)cc32)cc1 ZINC000260892629 571808766 /nfs/dbraw/zinc/80/87/66/571808766.db2.gz BAEQSTCIDDDHKZ-WJOKGBTCSA-N 1 0 575.775 5.551 40 0 KKABRO O=C(CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cc[nH+]cc1)Nc1cccc2ccccc21 ZINC000225700388 572031556 /nfs/dbraw/zinc/03/15/56/572031556.db2.gz VTHPMDOVGLXBEO-FQLXRVMXSA-N 1 0 518.646 5.422 40 0 KKABRO CCCc1cc(C)n(C)c(=O)c1CN(C)C(=O)c1cc(-c2ccc(N3CC[NH+](C(C)C)CC3)nc2)cc2c1cnn2C(C)C ZINC000226097970 572135473 /nfs/dbraw/zinc/13/54/73/572135473.db2.gz IFSQHIRDVVFJSQ-UHFFFAOYSA-N 1 0 597.808 5.441 40 0 in-vitro KKABRO COc1ccc([C@@H]2C[C@@H](OC(=O)CCc3ccc(OCc4ccccc4)cc3)C[C@@H]3CCCC[N@@H+]32)cc1OCc1ccccc1 ZINC000226326021 572136063 /nfs/dbraw/zinc/13/60/63/572136063.db2.gz IHLCKJQSLDCITQ-QBDOPFNQSA-N 1 0 605.775 8.087 40 0 KKABRO C[NH+](C)CCCNc1nc(Nc2ccc(C(F)(F)F)cc2Cl)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329000720 572148097 /nfs/dbraw/zinc/14/80/97/572148097.db2.gz KCQSZNZPCBCCRI-UHFFFAOYSA-N 1 0 533.904 5.665 40 0 KKABRO C[NH+](C)CCNc1nc(Nc2ccc(Cl)c(C(F)(F)F)c2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328996706 572148296 /nfs/dbraw/zinc/14/82/96/572148296.db2.gz JLZXMLCDBPCDBJ-UHFFFAOYSA-N 1 0 519.877 5.275 40 0 KKABRO Cc1c(Br)cccc1Nc1cc(-c2cccc(OC(F)(F)F)c2)nc(NCCC[NH+](C)C)n1 ZINC000329010843 572148721 /nfs/dbraw/zinc/14/87/21/572148721.db2.gz MCKONUCARPNSNN-UHFFFAOYSA-N 1 0 524.385 5.064 40 0 KKABRO C[NH+](C)CCCNc1nc(Nc2cccc(Cl)c2Cl)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329003389 572148909 /nfs/dbraw/zinc/14/89/09/572148909.db2.gz KMJOMGJGJLGMPR-UHFFFAOYSA-N 1 0 500.352 5.300 40 0 KKABRO Cc1ccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NCCC[NH+](C)C)n2)c(Br)c1 ZINC000329061698 572151389 /nfs/dbraw/zinc/15/13/89/572151389.db2.gz WSQYCHCIHFBIJZ-UHFFFAOYSA-N 1 0 524.385 5.064 40 0 KKABRO C[NH+](C)CCNc1nc(Nc2ccc(C(F)(F)F)cc2Cl)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329069083 572151411 /nfs/dbraw/zinc/15/14/11/572151411.db2.gz YURDSZRGVKBBGL-UHFFFAOYSA-N 1 0 519.877 5.275 40 0 KKABRO COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)/C=C/c2ccc(-c3cccc(Cl)c3Cl)o2)c1 ZINC000408573776 572259187 /nfs/dbraw/zinc/25/91/87/572259187.db2.gz ODBZGMSSTFECMN-DHZHZOJOSA-N 1 0 514.409 5.444 40 0 KKABRO Cc1c(Br)cc2c(c1Br)OC[C@](CN1CCC[C@@H](C)C1)(C[N@@H+]1CCC[C@H](C)C1)C2=O ZINC000253588312 572300566 /nfs/dbraw/zinc/30/05/66/572300566.db2.gz WDTMDVAXGLOIFW-CZKAHXPPSA-N 1 0 542.356 5.545 40 0 KKABRO Cc1cc(OC[C@@]2(CC(=O)N3CCOCC3)CCC[N@H+](Cc3cccn3-c3ccccc3Cl)C2)ccc1Cl ZINC000257237087 572309885 /nfs/dbraw/zinc/30/98/85/572309885.db2.gz HFDIMHILRMYONT-SSEXGKCCSA-N 1 0 556.534 6.003 40 0 KKABRO CC(C)(C)OC(=O)n1cc(-c2cccc(C[NH+]3CCCC3)c2)c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 ZINC000257245910 572310611 /nfs/dbraw/zinc/31/06/11/572310611.db2.gz IRQBPBRCLKSXCR-HSZRJFAPSA-N 1 0 510.679 6.044 40 0 KKABRO Cc1cc(OC[C@@]2(CC(=O)N(C)Cc3ccccc3)CCC[N@H+](Cc3cn(C)c4ccccc34)C2)ccc1Cl ZINC000257246559 572310725 /nfs/dbraw/zinc/31/07/25/572310725.db2.gz IURHQEOOOWEHNV-MGBGTMOVSA-N 1 0 544.139 6.850 40 0 KKABRO C[C@H]1CC[C@H]2[C@H](O1)c1cc(OCc3ccccc3)c(C[N@H+](CCCN3CCOCC3)Cc3cccc(Cl)c3)cc1OC2(C)C ZINC000257251418 572311193 /nfs/dbraw/zinc/31/11/93/572311193.db2.gz JQRSORMZKCEFMV-STODOFRLSA-N 1 0 619.246 7.671 40 0 KKABRO Cc1cc(C[N@H+]2CCC[C@](COc3ccc(Cl)c(C)c3)(CC(=O)N(C)Cc3ccccc3)C2)c(C)s1 ZINC000257263963 572312276 /nfs/dbraw/zinc/31/22/76/572312276.db2.gz LSGZAABBTZLDBY-PMERELPUSA-N 1 0 525.158 7.037 40 0 KKABRO COCCn1c(C)cc(C[N@@H+]2CCC[C@](COc3ccc(Cl)c(C)c3)(CC(=O)N(C)Cc3ccccc3)C2)c1C ZINC000257274103 572313218 /nfs/dbraw/zinc/31/32/18/572313218.db2.gz NJOTXHHEFBIKGW-XIFFEERXSA-N 1 0 566.186 6.423 40 0 KKABRO C[C@H]1CC[C@H]2[C@H](O1)c1cc(OCc3ccccc3)c(CN(CCC[NH+](C)C)Cc3ccccc3F)cc1OC2(C)C ZINC000257281418 572313937 /nfs/dbraw/zinc/31/39/37/572313937.db2.gz OPCRZCBTLFERAN-OMQKCRRYSA-N 1 0 560.754 7.386 40 0 KKABRO Cc1cc(OC[C@]2(CC(=O)N(C)Cc3ccccc3)CCC[N@H+](Cc3cc(F)ccc3C)C2)ccc1Cl ZINC000257282254 572314069 /nfs/dbraw/zinc/31/40/69/572314069.db2.gz OTAVQGLIZVNMFK-HKBQPEDESA-N 1 0 523.092 6.806 40 0 KKABRO CC(C)(C)n1ccc([C@H]2C[C@@H](C(=O)Nc3ccc(OC(F)(F)F)cc3)[NH2+][C@H]2c2cccc(C(F)(F)F)c2)n1 ZINC000257286119 572314567 /nfs/dbraw/zinc/31/45/67/572314567.db2.gz PKJHEFQXCATXHB-HJNYFJLDSA-N 1 0 540.508 6.381 40 0 KKABRO Cc1cc(OC[C@]2(CC(=O)N3CCOCC3)CCC[N@H+](Cc3cnn(C4CCCCC4)c3)C2)ccc1Cl ZINC000257287731 572314605 /nfs/dbraw/zinc/31/46/05/572314605.db2.gz PRGQSTHMLQXKMQ-LJAQVGFWSA-N 1 0 529.125 5.260 40 0 KKABRO Cc1cc(OC[C@@]2(CC(=O)N(C)Cc3ccccc3)CCC[N@@H+](Cc3ccnn3C(C)C)C2)ccc1Cl ZINC000257291437 572314997 /nfs/dbraw/zinc/31/49/97/572314997.db2.gz QGYYATSPYMZMRA-SSEXGKCCSA-N 1 0 523.121 6.136 40 0 KKABRO Cc1cc(C[NH+]2CCC(COc3ccccc3)(CC(=O)N(C)Cc3ccccc3)CC2)c(C)n1C(C)C ZINC000257292648 572315108 /nfs/dbraw/zinc/31/51/08/572315108.db2.gz QMKXTLGIOCKMDW-UHFFFAOYSA-N 1 0 501.715 6.396 40 0 KKABRO CC(C)(C)n1ccc([C@H]2C[C@@H](C(=O)Nc3ccc(C(F)(F)F)cc3)[NH2+][C@H]2c2cccc(C(F)(F)F)c2)n1 ZINC000257299674 572315738 /nfs/dbraw/zinc/31/57/38/572315738.db2.gz RRAUVZLPKSUXHX-HJNYFJLDSA-N 1 0 524.509 6.501 40 0 KKABRO CC(C)Oc1cccc(NC(=O)[C@@H]2C[C@@H](c3ccn(C(C)(C)C)n3)[C@H](c3cccc(C(F)(F)F)c3)[NH2+]2)c1 ZINC000257313602 572317183 /nfs/dbraw/zinc/31/71/83/572317183.db2.gz UTIDDVLOUSFANG-HVCNVCAESA-N 1 0 514.592 6.270 40 0 KKABRO Cc1nn(C)cc1C[N@H+]1CCC[C@@](COc2ccc(Cl)c(C)c2)(CC(=O)N(C)Cc2ccccc2)C1 ZINC000257319016 572317672 /nfs/dbraw/zinc/31/76/72/572317672.db2.gz VQISHCVNRCZHQV-GDLZYMKVSA-N 1 0 509.094 5.400 40 0 KKABRO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@H+](CCc2c[nH]c3ccccc23)Cc2cccc3[nH]ccc32)C1 ZINC000257319398 572317879 /nfs/dbraw/zinc/31/78/79/572317879.db2.gz VSGPDODRBQPXKA-LOYHVIPDSA-N 1 0 508.622 5.076 40 0 KKABRO CCc1nc(C)c(C[N@@H+]2CCC[C@@](COc3ccc(Cl)c(C)c3)(CC(=O)N(C)Cc3ccccc3)C2)[nH]1 ZINC000257325912 572318265 /nfs/dbraw/zinc/31/82/65/572318265.db2.gz WUYZUZJOFCBZDC-SSEXGKCCSA-N 1 0 523.121 5.952 40 0 KKABRO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@H+](CCc2c[nH]c3ccccc23)Cc2ccc(Cl)c(F)c2)C1 ZINC000257326460 572318482 /nfs/dbraw/zinc/31/84/82/572318482.db2.gz WXHIMVQWKKFTRX-VSGBNLITSA-N 1 0 522.020 5.387 40 0 KKABRO C[NH+](C)CCCN(Cc1ccccc1F)C(=O)C[C@@H]1CC[C@@H]2[C@@H](O1)c1cc(OCc3ccccc3)ccc1OC2(C)C ZINC000257341629 572319991 /nfs/dbraw/zinc/31/99/91/572319991.db2.gz ZLFHWNYRWCSQGZ-RIOYPXMGSA-N 1 0 574.737 6.783 40 0 KKABRO CCCn1cc(C[N@@H+]2CCC[C@@](COc3ccc(Cl)c(C)c3)(CC(=O)N3CCOCC3)C2)c2ccccc21 ZINC000257343716 572320216 /nfs/dbraw/zinc/32/02/16/572320216.db2.gz ZUCWJLYDGAZGCO-WJOKGBTCSA-N 1 0 538.132 5.923 40 0 KKABRO O[C@@H](Cn1c2ccccc2c2ccccc21)C[NH+]1CCN(C[C@H](O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)CC1 ZINC000067997812 1069681409 /nfs/dbraw/zinc/68/14/09/1069681409.db2.gz NYNOXQKYMUGVGH-FTJBHMTQSA-N 1 0 690.480 6.467 40 0 KKABRO O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1)c1ccc(C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000408920662 1070227081 /nfs/dbraw/zinc/22/70/81/1070227081.db2.gz MBOGIKQRQKFMIX-UHFFFAOYSA-N 1 0 629.104 6.734 40 0 KKABRO O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1)c1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000408920992 1070228414 /nfs/dbraw/zinc/22/84/14/1070228414.db2.gz QLNOICRWTZNCNR-UHFFFAOYSA-N 1 0 643.131 6.730 40 0 KKABRO C=C1[NH+]=C(SCc2ccc(Cl)cc2Cl)N[C@H](c2cccc(Br)c2)C1C(=O)OCC ZINC000408985779 1070346720 /nfs/dbraw/zinc/34/67/20/1070346720.db2.gz AWSZYVGVVZBQEZ-LJQANCHMSA-N 1 0 514.272 6.527 40 0 KKABRO CCc1nccn1CCCOc1ccc(C[N@@H+]2CCC[C@@](COc3ccc(C)cc3)(OC)CC2)cc1OC ZINC000585270643 1071018534 /nfs/dbraw/zinc/01/85/34/1071018534.db2.gz HLYKTZRKSWCNAJ-WJOKGBTCSA-N 1 0 521.702 5.682 40 0 KKABRO CCc1nccn1CCCOc1ccc(C[N@@H+]2CCC[C@](O)(COc3ccc(Cl)c(Cl)c3)CC2)cc1OC ZINC000585270556 1071018877 /nfs/dbraw/zinc/01/88/77/1071018877.db2.gz FSAOXUZGKFWCDY-GDLZYMKVSA-N 1 0 562.538 6.026 40 0 KKABRO COC1(COc2ccc(Cl)c(Cl)c2)CC[NH+](Cc2cccc(OCCn3nc(C)cc3C)c2)CC1 ZINC000585270609 1071019105 /nfs/dbraw/zinc/01/91/05/1071019105.db2.gz GSWOSBZDBBDUTK-UHFFFAOYSA-N 1 0 518.485 5.946 40 0 KKABRO Cc1noc(C)c1COc1ccc(C[N@H+](CCO)C[C@H](O)CN2c3ccccc3Sc3ccccc32)cc1 ZINC000585270498 1071019377 /nfs/dbraw/zinc/01/93/77/1071019377.db2.gz XYCWYSJRQNXEHV-DEOSSOPVSA-N 1 0 531.678 5.329 40 0 KKABRO COc1ccc(C[N@@H+]2CCC[C@@](COc3ccc(C)cc3)(OC)CC2)cc1OCCCn1ccnc1C ZINC000585270161 1071021277 /nfs/dbraw/zinc/02/12/77/1071021277.db2.gz CNMVJZXOXWVKIK-SSEXGKCCSA-N 1 0 507.675 5.428 40 0 KKABRO COc1cc(C[NH+]2CCC(O)(COc3cc(C)c(Cl)c(C)c3)CC2)ccc1OCCCn1ccnc1 ZINC000585271805 1071023464 /nfs/dbraw/zinc/02/34/64/1071023464.db2.gz OQLJRSNEDPKPML-UHFFFAOYSA-N 1 0 514.066 5.037 40 0 KKABRO COc1ccc(C[N@@H+]2CCC[C@](O)(COc3ccc(Cl)c(Cl)c3)CC2)cc1OCCn1ccnc1 ZINC000585271231 1071025058 /nfs/dbraw/zinc/02/50/58/1071025058.db2.gz LUZPFSMMTJQLEA-AREMUKBSSA-N 1 0 520.457 5.074 40 0 KKABRO CC(C)(C)OC(=O)N1[C@@H](c2ccc(F)cc2)C[C@]2(C)[C@H]1CCC[C@H]([NH2+]Cc1ccc(OCc3ccccn3)cc1)[C@H]2O ZINC000585271156 1071025171 /nfs/dbraw/zinc/02/51/71/1071025171.db2.gz SDSCRFUHVYULHV-YYUTWDAKSA-N 1 0 575.725 6.560 40 0 KKABRO COc1cc(C[N@@H+]2CCC[C@](O)(COc3ccc(Cl)c(Cl)c3)CC2)ccc1OCCn1ccnc1 ZINC000585271205 1071025421 /nfs/dbraw/zinc/02/54/21/1071025421.db2.gz LKTUCKDXFMLOOM-AREMUKBSSA-N 1 0 520.457 5.074 40 0 KKABRO Cc1nccn1CCOc1ccc(C[N@@H+]2CCC[C@](O)(COc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000585274225 1071031139 /nfs/dbraw/zinc/03/11/39/1071031139.db2.gz UOTYXUOYJFKNGG-AREMUKBSSA-N 1 0 504.458 5.373 40 0 KKABRO CCc1nccn1CCCOc1cc(C[NH+]2CCC(O)(COc3cc(C)c(Cl)c(C)c3)CC2)ccc1OC ZINC000585273279 1071029880 /nfs/dbraw/zinc/02/98/80/1071029880.db2.gz ZAZXJYDUTJJJSM-UHFFFAOYSA-N 1 0 542.120 5.599 40 0 KKABRO CCc1nccn1CCOc1cc(C[NH+]2CCC(O)(COc3ccc(Cl)c(Cl)c3)CC2)ccc1OC ZINC000585273301 1071030011 /nfs/dbraw/zinc/03/00/11/1071030011.db2.gz ZFHABPWPIMQEOU-UHFFFAOYSA-N 1 0 534.484 5.246 40 0 KKABRO Cc1cc(OCC2(O)CC[NH+](Cc3cccc(OCCCN4CCCCCC4=O)c3)CC2)cc(C)c1Cl ZINC000585272756 1071026803 /nfs/dbraw/zinc/02/68/03/1071026803.db2.gz WIGAIKTXXPQUKA-UHFFFAOYSA-N 1 0 529.121 5.534 40 0 KKABRO Cc1cnn(CCOc2cccc(C[N@@H+]3CCC[C@@](O)(COc4ccc(Cl)c(Cl)c4)CC3)c2)c1 ZINC000585271899 1071026938 /nfs/dbraw/zinc/02/69/38/1071026938.db2.gz PWFCALHCEOVWJD-SANMLTNESA-N 1 0 504.458 5.373 40 0 KKABRO COc1ccc(C[N@@H+]2CCC[C@@](O)(COc3ccc(Cl)c(Cl)c3)CC2)cc1OCCCn1ccnc1C ZINC000585272636 1071027534 /nfs/dbraw/zinc/02/75/34/1071027534.db2.gz UXLSKXHMUDFSAA-NDEPHWFRSA-N 1 0 548.511 5.772 40 0 KKABRO Cc1nccn1CCCOc1cccc(C[N@@H+]2CCC[C@@](O)(COc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000585272613 1071027673 /nfs/dbraw/zinc/02/76/73/1071027673.db2.gz UNRGSXMMPZASBO-MHZLTWQESA-N 1 0 518.485 5.763 40 0 KKABRO COC1(COc2ccc(Cl)c(Cl)c2)CC[NH+](Cc2ccc(OCCn3c4ccccc4n(C)c3=O)cc2)CC1 ZINC000585274232 1071031103 /nfs/dbraw/zinc/03/11/03/1071031103.db2.gz UPJHRKFOHWRFAQ-UHFFFAOYSA-N 1 0 570.517 5.786 40 0 KKABRO CCc1nccn1CCOc1ccc(C[NH+]2CCC(COc3cccc(Cl)c3)(OC)CC2)cc1OC ZINC000585272644 1071028507 /nfs/dbraw/zinc/02/85/07/1071028507.db2.gz VBTSMTWSXNOBKY-UHFFFAOYSA-N 1 0 514.066 5.247 40 0 KKABRO COc1ccc(C[N@@H+]2CCC[C@@](O)(COc3ccc(Cl)c(Cl)c3)CC2)cc1OCCCn1ccnc1 ZINC000585272285 1071032378 /nfs/dbraw/zinc/03/23/78/1071032378.db2.gz RWOJSHAVGDLSOE-MHZLTWQESA-N 1 0 534.484 5.464 40 0 KKABRO COC1(COc2ccc(Cl)c(Cl)c2)CC[NH+](Cc2ccc(OCCCn3cccn3)cc2)CC1 ZINC000585272994 1071032455 /nfs/dbraw/zinc/03/24/55/1071032455.db2.gz MGFYSZYJXIDGAO-UHFFFAOYSA-N 1 0 504.458 5.719 40 0 KKABRO CCc1nccn1CCOc1cc(C[N@@H+]2CCC[C@@](O)(COc3ccc(Cl)c(Cl)c3)CC2)ccc1OC ZINC000585272252 1071032509 /nfs/dbraw/zinc/03/25/09/1071032509.db2.gz RNSWWMJXJTXWIC-NDEPHWFRSA-N 1 0 548.511 5.636 40 0 KKABRO O=C1CCCCCN1CCCOc1cccc(C[N@H+]2CCC[C@@](O)(COc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000585273506 1071033196 /nfs/dbraw/zinc/03/31/96/1071033196.db2.gz SCMWRMANWUVDOF-LJAQVGFWSA-N 1 0 549.539 5.961 40 0 KKABRO CCc1nccn1CCOc1cc(C[N@@H+]2CCC[C@@](COc3ccc(C)cc3)(OC)CC2)ccc1OC ZINC000585273321 1071033894 /nfs/dbraw/zinc/03/38/94/1071033894.db2.gz ZMTGZIFTIABGNQ-SSEXGKCCSA-N 1 0 507.675 5.292 40 0 KKABRO O=C1CCCCN1CCCOc1ccc(C[N@H+]2CCC[C@](O)(COc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000585278976 1071034373 /nfs/dbraw/zinc/03/43/73/1071034373.db2.gz BHUIFKQSAZCJQZ-MUUNZHRXSA-N 1 0 535.512 5.571 40 0 KKABRO COC1(COc2cccc(Cl)c2)CC[NH+](Cc2ccc(OCCCn3cc(C)ccc3=O)cc2)CC1 ZINC000585280327 1071035995 /nfs/dbraw/zinc/03/59/95/1071035995.db2.gz MPINOQDFMAMPSY-UHFFFAOYSA-N 1 0 511.062 5.339 40 0 KKABRO CC(C)[C@@H]1C[C@H](c2ccccc2Cl)CO[C@H]1c1cccc(OCC(=O)Nc2ccccc2-n2ccnc2)c1 ZINC000585294490 1071043358 /nfs/dbraw/zinc/04/33/58/1071043358.db2.gz GVKVWDXNQUNRQR-NEEWURRISA-N 1 0 530.068 7.061 40 0 KKABRO CCc1nccn1Cc1cc(C[NH+]2CCC(Nc3ncnc4sc5c(c43)CC(C)(C)OC5)CC2)ccc1OC ZINC000585292997 1071046421 /nfs/dbraw/zinc/04/64/21/1071046421.db2.gz QVXWFONSHRFQAF-UHFFFAOYSA-N 1 0 546.741 5.435 40 0 KKABRO O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1)c1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000408926139 1071075406 /nfs/dbraw/zinc/07/54/06/1071075406.db2.gz PGGXKPMLHFJIAN-UHFFFAOYSA-N 1 0 609.579 6.364 40 0 KKABRO O=C(Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)c1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000408920794 1071098300 /nfs/dbraw/zinc/09/83/00/1071098300.db2.gz NFJBMHDSXKGQPY-UHFFFAOYSA-N 1 0 558.679 5.197 40 0 KKABRO Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C[NH+]4CCC(Cc5ccccc5)CC4)cc3)cc2)c(C)c1 ZINC000408920864 1071099000 /nfs/dbraw/zinc/09/90/00/1071099000.db2.gz QAOBSCRNWDEJET-UHFFFAOYSA-N 1 0 567.755 6.811 40 0 KKABRO CCOC(=O)Cc1c(C)cc(C(=O)CCC[NH+]2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1C ZINC000584577533 1071294611 /nfs/dbraw/zinc/29/46/11/1071294611.db2.gz NWYIGHPENXJJDV-UHFFFAOYSA-N 1 0 527.705 6.020 40 0 KKABRO CC(C)Oc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc(Cl)cc3)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000102370224 1071307023 /nfs/dbraw/zinc/30/70/23/1071307023.db2.gz GATDCOANDSLCMG-XKEBTDTJSA-N 1 0 589.091 7.109 40 0 KKABRO O=C(Nc1ccc(Cl)cc1)[C@H]1[C@@H](C(=O)c2ccc(Br)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN12 ZINC000150510312 1071327588 /nfs/dbraw/zinc/32/75/88/1071327588.db2.gz PNUXIBNCEKCHLP-HPLSSJBTSA-N 1 0 624.922 6.840 40 0 KKABRO O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000408710496 1071508895 /nfs/dbraw/zinc/50/88/95/1071508895.db2.gz WNWPTSLIZSLLIN-UHFFFAOYSA-N 1 0 552.018 6.010 40 0 KKABRO Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3)CC2)cc1 ZINC000408710389 1071508955 /nfs/dbraw/zinc/50/89/55/1071508955.db2.gz BFDODEZXAWHYMS-UHFFFAOYSA-N 1 0 566.045 6.319 40 0 KKABRO O=C(Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000408710412 1071507596 /nfs/dbraw/zinc/50/75/96/1071507596.db2.gz PEMIJEKQORJLSU-UHFFFAOYSA-N 1 0 536.456 5.784 40 0 KKABRO O=C(Nc1ccc(Cl)cc1)[C@H](NCCC[NH2+][C@H](C(=O)Nc1ccc(Cl)cc1)c1ccccc1)c1ccccc1 ZINC000408734052 1071567754 /nfs/dbraw/zinc/56/77/54/1071567754.db2.gz GMWBGLVMTVJDJG-ISILISOKSA-N 1 0 561.513 6.623 40 0 KKABRO C=C1[NH+]=C(SCC(=O)Nc2cc(C)ccc2C)N[C@@H](c2cccc(Br)c2)C1C(=O)OCC ZINC000409333593 1072352364 /nfs/dbraw/zinc/35/23/64/1072352364.db2.gz HZIYRUVRZFIKPR-QFIPXVFZSA-N 1 0 516.461 5.275 40 0 KKABRO COc1cc([C@@H](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc(OC)c1OC ZINC001547138549 1073179187 /nfs/dbraw/zinc/17/91/87/1073179187.db2.gz CJVAMYXXWSINCZ-RVQNBHMFSA-N 1 0 702.845 6.547 40 0 KKABRO COc1cc([C@H](CC(=O)NC2CC[NH+]([C@H]3CCc4ccccc4NC3=O)CC2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc(OC)c1OC ZINC001547138725 1073180186 /nfs/dbraw/zinc/18/01/86/1073180186.db2.gz QRVJNYZJFLFBLQ-ULEWXIOFSA-N 1 0 797.946 6.662 40 0 KKABRO COc1cc([C@H](CC(=O)N[C@@H]2C[NH+]3CCC2CC3)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc(OC)c1OC ZINC001547139663 1073188707 /nfs/dbraw/zinc/18/87/07/1073188707.db2.gz XJJJDTIAPZNBTC-QLCOJLISSA-N 1 0 664.796 5.338 40 0 KKABRO COc1ccc([C@@H](CC(=O)NCC[NH+]2CCCC2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc1 ZINC001547205999 1073190438 /nfs/dbraw/zinc/19/04/38/1073190438.db2.gz WURHYRMBUAHIOE-NEKDWFFYSA-N 1 0 592.733 5.322 40 0 KKABRO COc1cc(NC(=O)CC[NH+]2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)c(Cl)cc1CNCC(O)c1ccc(O)c2[nH]c(=O)ccc12 ZINC001560404570 1073193894 /nfs/dbraw/zinc/19/38/94/1073193894.db2.gz GCUUMDICMBRLAB-UHFFFAOYSA-N 1 0 739.249 7.059 40 0 KKABRO Cc1[nH]c(/C=C2\C(=O)Nc3ccc(S(=O)(=O)Cc4c(Cl)cccc4Cl)cc32)c(C)c1C(=O)N1CCCC1C[NH+]1CCCC1 ZINC001560410218 1073196177 /nfs/dbraw/zinc/19/61/77/1073196177.db2.gz OBKSCYUXPAWMRS-JLPGSUDCSA-N 1 0 640.613 6.269 40 0 KKABRO O=C(NC1CCCCC1)N1CC[NH+](C[C@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)CC1 ZINC000028295677 1073206530 /nfs/dbraw/zinc/20/65/30/1073206530.db2.gz OPAQQZXZKSOQGD-NRFANRHFSA-N 1 0 503.474 5.122 40 0 KKABRO CC[C@H](c1nnnn1Cc1ccc(F)cc1)N(Cc1ccc(OC)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374274 551653483 /nfs/dbraw/zinc/65/34/83/551653483.db2.gz CUSRTKVWEGVVKZ-MUUNZHRXSA-N 1 0 526.616 5.173 40 0 KKABRO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)N(Cc1ccc2c(c1)OCO2)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000001375285 551656551 /nfs/dbraw/zinc/65/65/51/551656551.db2.gz KXHBYZAPCTZQST-NDEPHWFRSA-N 1 0 566.662 5.071 40 0 KKABRO CCCC[NH+](CCCC)C[C@H](O)c1cc(-c2ccc(C(F)(F)F)cc2)nc2c(Cl)cc(Cl)cc12 ZINC000001702327 551689958 /nfs/dbraw/zinc/68/99/58/551689958.db2.gz BOAVFNQXQBLXNI-DEOSSOPVSA-N 1 0 513.431 8.163 40 0 KKABRO CCn1c(C=CNc2ccccc2)[n+](CC)c2cc(C(=O)OCC(F)(F)C(F)(F)C(F)F)ccc21 ZINC000003163541 552297772 /nfs/dbraw/zinc/29/77/72/552297772.db2.gz LKMDQMXHXRNRQR-UHFFFAOYSA-O 1 0 500.463 5.744 40 0 KKABRO O=C(Nc1ccc(Oc2ccccc2)cc1)O[C@@H]1CO[C@@H]2[C@@H]([NH2+]Cc3ccc(-c4ccccc4)cc3)CO[C@H]12 ZINC000004236487 552451742 /nfs/dbraw/zinc/45/17/42/552451742.db2.gz SSOPOOZPWNZOIS-UJOGNLFBSA-N 1 0 522.601 6.019 40 0 biogenic,in-vitro KKABRO N=C1NC(=[NH2+])N=C(N)C1(CCCOc1cc(Cl)ccc1Cl)CCCOc1cc(Cl)ccc1Cl ZINC000005181866 552494541 /nfs/dbraw/zinc/49/45/41/552494541.db2.gz UIQIYOORDAMIFT-UHFFFAOYSA-N 1 0 531.271 6.387 40 0 KKABRO OC[C@H]1[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000005888259 552511445 /nfs/dbraw/zinc/51/14/45/552511445.db2.gz YAEJOANLERDYGA-YLWZKEKXSA-N 1 0 523.673 5.619 40 0 KKABRO CCC[NH+](CCC)Cc1c(OC(=O)c2ccc(Cl)cc2)ccc2c(=O)c(Oc3ccc(C)c(C)c3)c(C(F)(F)F)oc21 ZINC000006166844 552557194 /nfs/dbraw/zinc/55/71/94/552557194.db2.gz SFOJUWCXBXNJLI-UHFFFAOYSA-N 1 0 602.049 8.716 40 0 KKABRO CC[NH+](CC)CCCN(C(=O)c1ccc(-c2ccccc2)[nH]1)[C@H](C(=O)NC1CCCC1)c1ccc(F)cc1 ZINC000006511202 552597086 /nfs/dbraw/zinc/59/70/86/552597086.db2.gz MXZCZHQVJVDTES-LJAQVGFWSA-N 1 0 518.677 5.795 40 0 KKABRO CC[NH+](CC)CCCN(C(=O)c1cc2c(C)nn(-c3ccccc3)c2s1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000006511277 552597226 /nfs/dbraw/zinc/59/72/26/552597226.db2.gz UHNBQEOQFGCZIB-UHFFFAOYSA-N 1 0 564.180 7.551 40 0 KKABRO CC[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3ccc(-c4ccc(Cl)cc4Cl)o3)cc2)CC1 ZINC000008898283 553180172 /nfs/dbraw/zinc/18/01/72/553180172.db2.gz KRHQUEAQPFQFRK-UHFFFAOYSA-N 1 0 503.455 5.522 40 0 KKABRO O=C(Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000009062821 553205256 /nfs/dbraw/zinc/20/52/56/553205256.db2.gz UKCFSSCMLNOAJB-UHFFFAOYSA-N 1 0 517.573 5.357 40 0 KKABRO Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)C3CC[NH+](Cc4ccc(Cl)cc4)CC3)cc2)c1 ZINC000009063420 553205524 /nfs/dbraw/zinc/20/55/24/553205524.db2.gz YNLNBKLPSMFUNS-UHFFFAOYSA-N 1 0 512.075 5.608 40 0 KKABRO Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000009063421 553205561 /nfs/dbraw/zinc/20/55/61/553205561.db2.gz NFGJMKKUIPFCAG-UHFFFAOYSA-N 1 0 512.075 5.608 40 0 KKABRO COc1ccc(NS(=O)(=O)c2ccc(NC(=O)C3CC[NH+](Cc4ccc(Cl)cc4)CC3)cc2)cc1 ZINC000009063422 553205569 /nfs/dbraw/zinc/20/55/69/553205569.db2.gz QNSCHRIFRQVRCY-UHFFFAOYSA-N 1 0 514.047 5.000 40 0 KKABRO Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NCCC[NH+]2CCCCCC2)cc1 ZINC000010111199 553328388 /nfs/dbraw/zinc/32/83/88/553328388.db2.gz QTEQDSGOLIVGGV-UHFFFAOYSA-N 1 0 519.711 5.386 40 0 KKABRO Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)NCCC[NH+]2CCCC2)cc1 ZINC000010450100 553337066 /nfs/dbraw/zinc/33/70/66/553337066.db2.gz BKMAASCNAVTQRM-UHFFFAOYSA-N 1 0 526.102 5.260 40 0 KKABRO O=C1c2cccc3cccc(c32)C(=O)N1CC1CC[NH+](C[C@@H](O)COc2ccc(C3CCCCC3)cc2)CC1 ZINC000012170487 553353220 /nfs/dbraw/zinc/35/32/20/553353220.db2.gz QCMXDQJFSHWVOR-HHHXNRCGSA-N 1 0 526.677 5.635 40 0 KKABRO C[C@H](c1ccccc1)N1CC2(c3ccccc3)C[NH+]([C@H](C)c3ccccc3)CC(c3ccccc3)(C1)C2=O ZINC000012401905 553362568 /nfs/dbraw/zinc/36/25/68/553362568.db2.gz NVASJRNOJGGMOU-RIZIDKCDSA-N 1 0 500.686 6.585 40 0 KKABRO Cc1nn(-c2ccccc2)c2sc(C(=O)N(CCC[NH+](C)C)c3nc(-c4ccccc4)cs3)cc12 ZINC000012711660 553417659 /nfs/dbraw/zinc/41/76/59/553417659.db2.gz DVYJPKIMGIPUJF-UHFFFAOYSA-N 1 0 501.681 6.117 40 0 KKABRO Cc1sc(NC(=O)C[N@@H+](C)C2CCCCC2)nc1-c1ccc2c(c1)CCN2C(=O)c1ccccc1F ZINC000013565006 553472671 /nfs/dbraw/zinc/47/26/71/553472671.db2.gz MFAFPVNCCDZDCW-UHFFFAOYSA-N 1 0 506.647 5.664 40 0 KKABRO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000014291063 553511669 /nfs/dbraw/zinc/51/16/69/553511669.db2.gz AJSANXCIKUWFEB-UHFFFAOYSA-N 1 0 506.433 6.828 40 0 KKABRO CC(C)(C)c1ccc(-c2cc(C[C@H]3C[NH2+]CC[C@H]3CC(=O)N3CCN(c4ccccc4)CC3)no2)cc1 ZINC000015673743 553534034 /nfs/dbraw/zinc/53/40/34/553534034.db2.gz WBRJXXXFAXSHEL-DQEYMECFSA-N 1 0 500.687 5.146 40 0 biogenic,in-vitro KKABRO COc1ccc(CC[NH2+]Cc2cc(Br)c(OCc3ccc(F)cc3)c(OC)c2)cc1OC ZINC000016227384 553557359 /nfs/dbraw/zinc/55/73/59/553557359.db2.gz IXTINSDFNYZZMY-UHFFFAOYSA-N 1 0 504.396 5.525 40 0 KKABRO COc1ccc(CC[NH2+]Cc2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1OC ZINC000016227396 553557387 /nfs/dbraw/zinc/55/73/87/553557387.db2.gz NFNWQTVQZYBXRS-UHFFFAOYSA-N 1 0 510.845 6.584 40 0 KKABRO CCOc1cc(C[NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)cc(Br)c1OCc1ccccc1Cl ZINC000016688648 553573272 /nfs/dbraw/zinc/57/32/72/553573272.db2.gz GABBXCPYDAMOFY-ZBZKZAQZSA-N 1 0 532.950 7.919 40 0 KKABRO C=C(c1ccc(C(=c2ccc(=C(C3=[NH+]C(=C(C4=NCC=C4)c4ccc(Cl)cc4)C=C3)c3ccc(Cl)cc3)[nH]2)c2ccc(Cl)cc2)[nH]1)c1ccc(Cl)cc1 ZINC000095100380 553698690 /nfs/dbraw/zinc/69/86/90/553698690.db2.gz BXVIRRSNXDXVJC-SEMVYKIWSA-N 1 0 768.575 10.897 40 0 KKABRO CC[NH+]1C(C)(C)CC(Oc2ccc(C(=O)Nc3ccc(NC(=O)Nc4cc(C(C)(C)C)on4)cc3)nc2)CC1(C)C ZINC000095559390 553704279 /nfs/dbraw/zinc/70/42/79/553704279.db2.gz JVCWPUFNLFSKFS-UHFFFAOYSA-N 1 0 562.715 6.684 40 0 in-vitro KKABRO CCOc1cc(C[NH2+][C@@H](C)C23CC4CC(CC(C4)C2)C3)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000022073655 553725515 /nfs/dbraw/zinc/72/55/15/553725515.db2.gz CCWBJVBWEQNXBD-BBXRDKHSSA-N 1 0 522.944 8.319 40 0 KKABRO Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000022525012 553744593 /nfs/dbraw/zinc/74/45/93/553744593.db2.gz PHWANNWIHRGODG-IBGZPJMESA-N 1 0 512.075 5.933 40 0 KKABRO Cc1ccc2c(c1)[C@@]1(C(=O)N2)[N@@H+]2CCC[C@@H]2[C@@H](C(=O)c2ccc3ccccc3c2)[C@@]12c1ccccc1NC2=O ZINC000096298530 553748537 /nfs/dbraw/zinc/74/85/37/553748537.db2.gz LMNHSJQJTVBJIC-VTWAVXMNSA-N 1 0 513.597 5.163 40 0 KKABRO O=C(NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1cccc2c(Cl)cccc12 ZINC000022839628 553758275 /nfs/dbraw/zinc/75/82/75/553758275.db2.gz CELBQBSDJNLCSY-UHFFFAOYSA-N 1 0 515.082 5.942 40 0 KKABRO Cc1cc(C)c2cc([C@@H](c3nnnn3C3CCCC3)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c(=O)[nH]c2c1 ZINC000022869745 553764738 /nfs/dbraw/zinc/76/47/38/553764738.db2.gz KKJVGWXWDDKFBQ-XIFFEERXSA-N 1 0 573.745 5.743 40 0 KKABRO Cc1cc2cc([C@H](c3nnnn3Cc3ccccc3)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c(=O)[nH]c2cc1C ZINC000022870307 553765194 /nfs/dbraw/zinc/76/51/94/553765194.db2.gz PRXITXGOVKKXHV-PGUFJCEWSA-N 1 0 595.751 5.676 40 0 KKABRO Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccccc1C[C@H]1c2ccccc2CC[N@H+]1C ZINC000028129056 553837743 /nfs/dbraw/zinc/83/77/43/553837743.db2.gz JDWTZBFJMIQXFA-DEOSSOPVSA-N 1 0 506.433 6.981 40 0 KKABRO CC(C)C[C@H]1[NH2+][C@@]2(c3ccccc3N(Cc3ccccc3F)C2=O)[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]12 ZINC000033354906 553932112 /nfs/dbraw/zinc/93/21/12/553932112.db2.gz CTAJWSNPWCGOIY-QUOGVSKYSA-N 1 0 532.015 5.045 40 0 KKABRO CSCC[C@H]1[NH2+][C@@]2(c3ccccc3N(Cc3ccc(Cl)c(Cl)c3)C2=O)[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]12 ZINC000098007366 554063873 /nfs/dbraw/zinc/06/38/73/554063873.db2.gz KPXRSOBZIDDLJG-LBCJCTBSSA-N 1 0 634.507 6.285 40 0 KKABRO O=C(Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000037133315 554230723 /nfs/dbraw/zinc/23/07/23/554230723.db2.gz UZOLFJVIOFPUQU-UHFFFAOYSA-N 1 0 517.573 5.744 40 0 KKABRO O=C1[C@@H]2[C@@H](C(=O)N1c1cccc(Cl)c1)[C@@]1([NH2+][C@H]2Cc2ccccc2)c2ccccc2N(Cc2ccccc2)C1=O ZINC000100151504 554231794 /nfs/dbraw/zinc/23/17/94/554231794.db2.gz OUNJCHWZWVJYTM-WRAKSMGQSA-N 1 0 548.042 5.102 40 0 KKABRO Cc1ccc(S(=O)(=O)N2c3ccccc3[C@H]3N(CCC[NH+](C)C)[C@@H]2c2ccccc2N3S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000100204028 554247446 /nfs/dbraw/zinc/24/74/46/554247446.db2.gz MNIYSAAPMAXXNZ-LQJZCPKCSA-N 1 0 616.809 5.672 40 0 KKABRO COc1cc2c(cc1Br)n(C1CCCCC1)c(CSc1ccccc1)c2C(=O)OCC[NH+](C)C ZINC000100234242 554258064 /nfs/dbraw/zinc/25/80/64/554258064.db2.gz HMBURUGTWCTVTG-UHFFFAOYSA-N 1 0 545.543 6.928 40 0 KKABRO O=C(NC1CCCCC1)[C@@H](c1ccc(F)cc1)N(C(=O)c1ccc(-c2ccccc2)[nH]1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000100275516 554271908 /nfs/dbraw/zinc/27/19/08/554271908.db2.gz DJUIHZXKTPWJJM-PGUFJCEWSA-N 1 0 592.759 7.118 40 0 KKABRO O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000039755144 554280324 /nfs/dbraw/zinc/28/03/24/554280324.db2.gz PQESGKMXESAOTJ-UHFFFAOYSA-N 1 0 518.466 5.645 40 0 KKABRO O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000039761824 554280339 /nfs/dbraw/zinc/28/03/39/554280339.db2.gz VUYYKTASPHSTTC-UHFFFAOYSA-N 1 0 518.466 5.645 40 0 KKABRO O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000039772492 554281090 /nfs/dbraw/zinc/28/10/90/554281090.db2.gz VEPOTSJUZGGJTO-UHFFFAOYSA-N 1 0 518.466 5.645 40 0 KKABRO COc1cc(C)c(Sc2cnc(NC(=O)c3ccc(C[NH2+][C@@H](C)C(C)C)cc3)s2)cc1C(=O)N1CCN(C(C)=O)CC1 ZINC000100319271 554304195 /nfs/dbraw/zinc/30/41/95/554304195.db2.gz RRHONYZEMUNMJX-NRFANRHFSA-N 1 0 609.818 5.302 40 0 KKABRO Cc1ccc(Cl)cc1N(CC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)S(=O)(=O)c1ccccc1 ZINC000044873562 554306512 /nfs/dbraw/zinc/30/65/12/554306512.db2.gz MTJCOJWCCIEIMG-UHFFFAOYSA-N 1 0 526.102 5.146 40 0 KKABRO Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCc3ccc(C[NH+]4CCCCC4)cc3)ccc2C)c1C ZINC000044874263 554307010 /nfs/dbraw/zinc/30/70/10/554307010.db2.gz LPSYFCZOXRFNBG-UHFFFAOYSA-N 1 0 505.684 5.329 40 0 KKABRO O=C(Cn1nnc(-c2cccs2)n1)N([C@@H](C(=O)NC1CCCCC1)c1ccc(F)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000100329765 554311817 /nfs/dbraw/zinc/31/18/17/554311817.db2.gz GKGPXMBYPRVVCL-WJOKGBTCSA-N 1 0 615.779 5.224 40 0 KKABRO COc1ccc(C(=O)Nc2ccc(-c3noc([C@@H]4CCC[N@@H+]4Cc4cn(C)c5ccccc45)n3)cn2)cc1 ZINC000049155274 554323161 /nfs/dbraw/zinc/32/31/61/554323161.db2.gz OSZGANBTULHISE-VWLOTQADSA-N 1 0 508.582 5.221 40 0 biogenic,in-vitro KKABRO CCOc1ccc2[nH]c(=O)c(CN(Cc3ccc4c(c3)OCO4)[C@H](CC)c3nnnn3C3CCCCC3)cc2c1 ZINC000100375311 554359565 /nfs/dbraw/zinc/35/95/65/554359565.db2.gz XCZZQQMWUQCQBK-AREMUKBSSA-N 1 0 544.656 5.301 40 0 KKABRO CC[NH+](CC)CCNC(=O)/C(=C\c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)NC(=O)c1ccc(C)cc1 ZINC000100455051 554396000 /nfs/dbraw/zinc/39/60/00/554396000.db2.gz HKKZGKWVQPJVOF-JJIBRWJFSA-N 1 0 548.005 6.156 40 0 KKABRO Cc1cccc2c1NC(=O)[C@]21[N@@H+]2CCC[C@@H]2[C@@H](C(=O)c2ccc3ccccc3c2)[C@]12c1ccccc1NC2=O ZINC000059796307 554430801 /nfs/dbraw/zinc/43/08/01/554430801.db2.gz HTVNOZMEKLYJJG-HENVOLSHSA-N 1 0 513.597 5.163 40 0 KKABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3)cc2)C1 ZINC000060028873 554496715 /nfs/dbraw/zinc/49/67/15/554496715.db2.gz KMGWTTBMTRRZGJ-LJQANCHMSA-N 1 0 531.600 5.990 40 0 KKABRO S=C(NCCCN1CC[NH+](CCCNC(=S)Nc2ccc(Cl)cc2Cl)CC1)Nc1ccc(Cl)cc1Cl ZINC000100981504 554547691 /nfs/dbraw/zinc/54/76/91/554547691.db2.gz SZIDRMJBJWWTGD-UHFFFAOYSA-N 1 0 608.492 5.971 40 0 KKABRO Cc1ccc(N(C(=O)C[N@H+](CCO)C2CCCCC2)[C@H]2C[C@H](C)N(C(=O)c3ccco3)c3ccc(C)cc32)cc1 ZINC000101994096 554864660 /nfs/dbraw/zinc/86/46/60/554864660.db2.gz YJXLQFWGGIPOKB-QCDSWUKFSA-N 1 0 543.708 6.037 40 0 KKABRO Clc1ccccc1COc1ccc(Br)cc1C[NH2+]CCCSc1nnnn1-c1ccccc1 ZINC000102558718 554966265 /nfs/dbraw/zinc/96/62/65/554966265.db2.gz JZNUBQXMXDWVFX-UHFFFAOYSA-N 1 0 544.906 5.929 40 0 KKABRO Clc1ccc(COc2ccc(Cl)cc2C[NH2+]CCSc2nnnn2-c2ccccc2)c(Cl)c1 ZINC000102559264 554966545 /nfs/dbraw/zinc/96/65/45/554966545.db2.gz UFGYBKLJJMYWHC-UHFFFAOYSA-N 1 0 520.873 6.083 40 0 KKABRO COc1cc(C[NH2+]CCSc2nnnn2-c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000102559418 554966820 /nfs/dbraw/zinc/96/68/20/554966820.db2.gz AOLLZMJECQRJIR-UHFFFAOYSA-N 1 0 560.905 5.548 40 0 KKABRO COc1cc(C[NH2+]CCSc2nnnn2-c2ccccc2)cc(Br)c1OCc1ccccc1Cl ZINC000102559414 554966904 /nfs/dbraw/zinc/96/69/04/554966904.db2.gz MMGLGDDYUGKCOZ-UHFFFAOYSA-N 1 0 560.905 5.548 40 0 KKABRO COc1ccc(CC[NH2+]Cc2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 ZINC000102566299 554970075 /nfs/dbraw/zinc/97/00/75/554970075.db2.gz HFRAXKWTLZNWFI-UHFFFAOYSA-N 1 0 525.270 6.684 40 0 KKABRO Cc1cccc2c1NC(=O)[C@]21[N@@H+]2CCC[C@H]2[C@@H](C(=O)c2ccc3ccccc3c2)[C@]12c1ccccc1NC2=O ZINC000102769074 555056614 /nfs/dbraw/zinc/05/66/14/555056614.db2.gz HTVNOZMEKLYJJG-TYOLUPRFSA-N 1 0 513.597 5.163 40 0 KKABRO Cc1ccc2c(c1)[C@@]1(C(=O)N2)[N@@H+]2CCC[C@@H]2[C@H](C(=O)c2ccc3ccccc3c2)[C@@]12c1ccccc1NC2=O ZINC000102772209 555061226 /nfs/dbraw/zinc/06/12/26/555061226.db2.gz LMNHSJQJTVBJIC-CUTKCQJKSA-N 1 0 513.597 5.163 40 0 KKABRO O=C(c1ccc(Cl)cc1Cl)[C@H]1[C@@H]2CCCN2[C@]2(C(=O)Nc3ccc(Cl)cc32)[C@@]12C(=O)Nc1ccccc12 ZINC000103532808 555433321 /nfs/dbraw/zinc/43/33/21/555433321.db2.gz VUXCVIFVOBXIQC-CCXYNAMNSA-N 1 0 552.845 5.661 40 0 KKABRO CCOc1cc(C[NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000103573887 555450734 /nfs/dbraw/zinc/45/07/34/555450734.db2.gz HNYCEPRQTBIXPO-PFLDBYBHSA-N 1 0 567.395 8.572 40 0 KKABRO CCOc1cc(C[NH2+]C23CC4CC(CC(C4)C2)C3)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000103572160 555450786 /nfs/dbraw/zinc/45/07/86/555450786.db2.gz ZALPLLJWRWSOGU-UHFFFAOYSA-N 1 0 539.341 7.792 40 0 KKABRO COc1cc(C[NH2+][C@H](C)C23CC4CC(CC(C4)C2)C3)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000103588475 555452192 /nfs/dbraw/zinc/45/21/92/555452192.db2.gz NRBSDDZOMVPAIJ-UYTITELCSA-N 1 0 553.368 8.038 40 0 KKABRO O=C(c1ccccc1Cl)[C@H]1C(=C([O-])c2cc3ccccc3o2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN12 ZINC000103528024 571361784 /nfs/dbraw/zinc/36/17/84/571361784.db2.gz KFHVULANIPBEHT-KCQQKVKYSA-N 1 0 571.032 7.068 40 0 KKABRO COc1cc(C(O)=C2[C@@H](C(=O)C(C)(C)C)N3C=Cc4ccccc4[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc(OC)c1OC ZINC000104141705 571374718 /nfs/dbraw/zinc/37/47/18/571374718.db2.gz IPGGCZWBQGQORS-WAGRTKOWSA-N 1 0 566.654 5.426 40 0 KKABRO O=C(NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000105318421 571400852 /nfs/dbraw/zinc/40/08/52/571400852.db2.gz MZOXNKZVDNDVGF-UHFFFAOYSA-N 1 0 565.526 6.702 40 0 KKABRO O=C(/C=C/c1ccc(-c2cccc(Cl)c2Cl)o1)NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000105318468 571400888 /nfs/dbraw/zinc/40/08/88/571400888.db2.gz QLOWNVPWNXKHOG-JQIJEIRASA-N 1 0 591.564 7.102 40 0 KKABRO O=C(NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1ccc(-c2ccc(Br)cc2)o1 ZINC000105318417 571400896 /nfs/dbraw/zinc/40/08/96/571400896.db2.gz QSZJRQAHBWGQHP-UHFFFAOYSA-N 1 0 575.532 6.158 40 0 KKABRO COc1ccc(CCNC(=O)c2ccccc2NC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)cc1OC ZINC000108579724 571426329 /nfs/dbraw/zinc/42/63/29/571426329.db2.gz XLLHGKQZFILKHD-UHFFFAOYSA-N 1 0 536.072 5.180 40 0 KKABRO C[NH+](C)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(F)cc2Br)o1 ZINC000223245377 571449903 /nfs/dbraw/zinc/44/99/03/571449903.db2.gz HPVYUFMFFNZFTC-VXKWHMMOSA-N 1 0 503.441 5.167 40 0 KKABRO CS(=O)(=O)N(Cc1c(Cl)cccc1Cl)c1ccc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000139859855 571454047 /nfs/dbraw/zinc/45/40/47/571454047.db2.gz ZOYPLYDCVGBRCR-UHFFFAOYSA-N 1 0 546.520 5.485 40 0 KKABRO C[NH+](C)CC[C@](O)(c1cccc2ccccc21)[C@H](c1ccccc1)c1cnc2ccc(Br)cc2c1 ZINC000144783156 571456406 /nfs/dbraw/zinc/45/64/06/571456406.db2.gz CAZMLEZKNNXBTD-JSOSNVBQSA-N 1 0 525.490 7.122 40 0 KKABRO C[C@H](c1cccc2ccccc21)[NH+](CCCc1cccc(C(F)(F)F)c1)CCCc1cccc(C(F)(F)F)c1 ZINC000146894688 571456743 /nfs/dbraw/zinc/45/67/43/571456743.db2.gz BMWNEBVDXWCUKG-HSZRJFAPSA-N 1 0 543.595 9.506 40 0 KKABRO CCOC(=O)CC[C@H](NC(=O)[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)OCC ZINC000150382596 571467283 /nfs/dbraw/zinc/46/72/83/571467283.db2.gz HXQMEXBMQABZTD-GSVOJQHPSA-N 1 0 791.026 9.053 40 0 KKABRO CCOC(=O)[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)[C@H]([NH3+])CSC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000150383494 571467822 /nfs/dbraw/zinc/46/78/22/571467822.db2.gz XWNRMXHHRSBHSW-HLFYWILQSA-N 1 0 737.003 8.812 40 0 KKABRO CCCc1ccc(Oc2c(=O)c3ccc(OC(=O)c4ccc(OCC)cc4)c(C[NH+](CC(C)C)CC(C)C)c3oc2C(F)(F)F)cc1 ZINC000150389274 571471638 /nfs/dbraw/zinc/47/16/38/571471638.db2.gz DAHQIHRAXBOINA-UHFFFAOYSA-N 1 0 653.738 9.289 40 0 KKABRO O[C@@H](Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21)C[N@H+](C[C@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21)C[C@@H]1CCCO1 ZINC000150502426 571519064 /nfs/dbraw/zinc/51/90/64/571519064.db2.gz WSQAWOBAVBJCPO-VJGNERBWSA-N 1 0 685.479 8.419 40 0 KKABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c2ccc(Oc3ccccc3)cc2)cc1 ZINC000224523775 571566095 /nfs/dbraw/zinc/56/60/95/571566095.db2.gz MVMMQYZSVZWHLF-UHFFFAOYSA-N 1 0 583.754 6.285 40 0 KKABRO Cc1oc2cc3oc(=O)c(CC(=O)N4CCCC5=C[C@H]6C[C@H](C[N@@H+]7CCCC[C@H]67)[C@@H]54)c(C)c3cc2c1C ZINC000208216527 571573389 /nfs/dbraw/zinc/57/33/89/571573389.db2.gz QIMLLLWYSIPSNV-DOTSRWBLSA-N 1 0 500.639 5.429 40 0 KKABRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1 ZINC000224602452 571584382 /nfs/dbraw/zinc/58/43/82/571584382.db2.gz BZFFPQZOGCNYFN-UHFFFAOYSA-N 1 0 539.701 5.608 40 0 KKABRO CC1CC[NH+](Cc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3)cc2)CC1 ZINC000215923290 571587951 /nfs/dbraw/zinc/58/79/51/571587951.db2.gz OMLPVLCCJUYNDB-UHFFFAOYSA-N 1 0 566.045 6.644 40 0 KKABRO Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCc3cccc(C[NH+]4CCCC4)c3)Oc3ccc(C(C)(C)C)cc32)cc1 ZINC000224625893 571589636 /nfs/dbraw/zinc/58/96/36/571589636.db2.gz UXBNDQUCKWFVHE-PMERELPUSA-N 1 0 561.748 5.161 40 0 KKABRO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)n1CCC[NH+]1CCOCC1 ZINC000224633270 571591147 /nfs/dbraw/zinc/59/11/47/571591147.db2.gz KWGZNYUDTOZBBK-AJQTZOPKSA-N 1 0 567.759 6.192 40 0 KKABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4Cl)cc3)cc2)C1 ZINC000216268754 571593990 /nfs/dbraw/zinc/59/39/90/571593990.db2.gz YRIKKQLTRBYQLQ-GOSISDBHSA-N 1 0 532.493 6.278 40 0 KKABRO Cc1c(Cl)cccc1N(CC(=O)NCc1cccc(C[NH+]2CCCCC2)c1)S(=O)(=O)c1ccccc1 ZINC000224649757 571594991 /nfs/dbraw/zinc/59/49/91/571594991.db2.gz ZJARDDKETPENMH-UHFFFAOYSA-N 1 0 526.102 5.146 40 0 KKABRO CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C[N@@H+]4CCC[C@H](C)C4)cc3)cc2)cc1 ZINC000216366488 571595239 /nfs/dbraw/zinc/59/52/39/571595239.db2.gz GWSYGOZLNQZKGN-NRFANRHFSA-N 1 0 507.656 5.370 40 0 KKABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2cccc(C[NH+]3CCCCC3)c2)c2ccc(Cl)cc2)cc1 ZINC000224651277 571595502 /nfs/dbraw/zinc/59/55/02/571595502.db2.gz HTULCYHOFXUHCV-UHFFFAOYSA-N 1 0 526.102 5.146 40 0 KKABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2cccc(C[NH+]3CCCCC3)c2)c2cccc(Br)c2)cc1 ZINC000224651348 571595620 /nfs/dbraw/zinc/59/56/20/571595620.db2.gz DGERARSKHOZPAM-UHFFFAOYSA-N 1 0 570.553 5.255 40 0 KKABRO Cc1ccc(N(CC(=O)NCc2cccc(C[NH+]3CCCCC3)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1C ZINC000224659164 571597443 /nfs/dbraw/zinc/59/74/43/571597443.db2.gz RJDVCJMYYJRNGD-UHFFFAOYSA-N 1 0 540.129 5.454 40 0 KKABRO Cc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cccn3-c3cc[nH+]cc3)cc2)cc1 ZINC000224696517 571606136 /nfs/dbraw/zinc/60/61/36/571606136.db2.gz BCJSZWBKEVXEIQ-FQLXRVMXSA-N 1 0 503.631 6.545 40 0 KKABRO COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cc(C)n(CCC[NH+]4CCOCC4)c3C)cc2)cc1 ZINC000224734875 571612346 /nfs/dbraw/zinc/61/23/46/571612346.db2.gz KHUYJZHWYUVLMF-LQJZCPKCSA-N 1 0 597.785 6.200 40 0 KKABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2C[NH+]2CCCC2)c2ccc(Cl)c(Cl)c2)cc1 ZINC000224784056 571616783 /nfs/dbraw/zinc/61/67/83/571616783.db2.gz JVUQYFUUKKKDCF-UHFFFAOYSA-N 1 0 546.520 5.409 40 0 KKABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2C[NH+]2CCCCC2)c2ccc(C)c(C)c2)cc1 ZINC000224811486 571619365 /nfs/dbraw/zinc/61/93/65/571619365.db2.gz QQEYGHSGEWKRGS-UHFFFAOYSA-N 1 0 519.711 5.109 40 0 KKABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2C[NH+]2CCCCC2)c2cccc(Cl)c2C)cc1 ZINC000224812965 571619480 /nfs/dbraw/zinc/61/94/80/571619480.db2.gz DREOSUJJDYQERU-UHFFFAOYSA-N 1 0 540.129 5.454 40 0 KKABRO CS(=O)(=O)N(Cc1ccc(C(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1)c1cccc(Cl)c1Cl ZINC000224825947 571620838 /nfs/dbraw/zinc/62/08/38/571620838.db2.gz FHGKUACJCJMLEN-UHFFFAOYSA-N 1 0 560.547 5.876 40 0 KKABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2C[NH+]2CCCCC2)c2cc(Cl)ccc2Cl)cc1 ZINC000224833328 571621581 /nfs/dbraw/zinc/62/15/81/571621581.db2.gz XAFHLQYWHAJALC-UHFFFAOYSA-N 1 0 560.547 5.799 40 0 KKABRO Cc1cccc(C)c1N(Cc1ccc(C(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1)S(C)(=O)=O ZINC000224847789 571622795 /nfs/dbraw/zinc/62/27/95/571622795.db2.gz HQQSQHUEUURPLC-UHFFFAOYSA-N 1 0 519.711 5.186 40 0 KKABRO O=c1sc2cc(S(=O)(=O)NCc3ccccc3C[NH+]3CCCCC3)ccc2n1Cc1ccc(Cl)cc1 ZINC000224854589 571623504 /nfs/dbraw/zinc/62/35/04/571623504.db2.gz IIMWVZHXRPFFKT-UHFFFAOYSA-N 1 0 542.126 5.229 40 0 KKABRO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)n1CCC[NH+]1CCOCC1 ZINC000224925439 571630560 /nfs/dbraw/zinc/63/05/60/571630560.db2.gz AESZIJNOEBTGKJ-KAYWLYCHSA-N 1 0 568.585 5.470 40 0 KKABRO CC1CCN(c2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cccn3-c3cc[nH+]cc3)cc2Cl)CC1 ZINC000224980209 571635786 /nfs/dbraw/zinc/63/57/86/571635786.db2.gz WUZHGTUJGOTBDH-IZLXSDGUSA-N 1 0 529.113 6.334 40 0 KKABRO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)c(C)n1CCC[NH+]1CCOCC1 ZINC000224983846 571636194 /nfs/dbraw/zinc/63/61/94/571636194.db2.gz RYIRKDOXPRUKNJ-AJQTZOPKSA-N 1 0 607.268 6.289 40 0 KKABRO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1CCC[NH+]1CCOCC1 ZINC000225341016 571700077 /nfs/dbraw/zinc/70/00/77/571700077.db2.gz XFKPMSYZLZBUHI-WDYNHAJCSA-N 1 0 533.742 5.187 40 0 KKABRO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1CCC[NH+]1CCOCC1 ZINC000225367138 571731105 /nfs/dbraw/zinc/73/11/05/571731105.db2.gz LFEGCCAZKIOKPE-CONSDPRKSA-N 1 0 559.780 5.721 40 0 KKABRO C[C@@H]1C[C@H](C)CN(c2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cccn3-c3cc[nH+]cc3)cc2Cl)C1 ZINC000260921001 571855977 /nfs/dbraw/zinc/85/59/77/571855977.db2.gz OBOBGKGKIMLHGF-CAWZWVIISA-N 1 0 543.140 6.580 40 0 KKABRO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@@H](C)C3)c(Cl)c2)c(C)n1CCC[NH+]1CCOCC1 ZINC000260925692 571865164 /nfs/dbraw/zinc/86/51/64/571865164.db2.gz WUNHBZBHICCTCD-QMPYTYQSSA-N 1 0 621.295 6.535 40 0 KKABRO C[C@@H]1CCCC[N@@H+]1CCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCCC2)cc1 ZINC000225556903 571918785 /nfs/dbraw/zinc/91/87/85/571918785.db2.gz HUPOJHOCJHWBDB-OAQYLSRUSA-N 1 0 503.514 7.477 40 0 KKABRO COc1ccc(C(=O)N2CCc3ccc(NC(=O)[C@@H]4CCC[N@H+](Cc5ccc(Cl)cc5)C4)cc32)cc1 ZINC000225904248 572080946 /nfs/dbraw/zinc/08/09/46/572080946.db2.gz QMECTLKLBLMRHF-HSZRJFAPSA-N 1 0 504.030 5.402 40 0 KKABRO CC[NH2+]C1(C(N)=O)CCC(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1 ZINC000299754592 572134028 /nfs/dbraw/zinc/13/40/28/572134028.db2.gz XOTQZOZCZJXHPD-UHFFFAOYSA-N 1 0 509.441 5.281 40 0 KKABRO C[NH+](C)CCNc1nc(Nc2ccc(OC(F)(F)F)c(Cl)c2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328970877 572147608 /nfs/dbraw/zinc/14/76/08/572147608.db2.gz DNGHTQBZDRMGMS-UHFFFAOYSA-N 1 0 535.876 5.155 40 0 KKABRO COc1ccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NCCC[NH+](C)C)n2)cc1C(F)(F)F ZINC000329047073 572150761 /nfs/dbraw/zinc/15/07/61/572150761.db2.gz UEMLTLCTYJYCDT-UHFFFAOYSA-N 1 0 529.485 5.021 40 0 KKABRO O=C(C[NH+](C1CCCCC1)C1CCCCC1)Nc1sc2c(c1C(=O)NCc1ccccc1)CCCC2 ZINC000408582690 572264975 /nfs/dbraw/zinc/26/49/75/572264975.db2.gz OZJSPHANANQGHC-UHFFFAOYSA-N 1 0 507.744 6.463 40 0 KKABRO O=C(CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000408626134 572283670 /nfs/dbraw/zinc/28/36/70/572283670.db2.gz ZFQWPNKFAZICOD-QPJJXVBHSA-N 1 0 592.976 5.695 40 0 KKABRO COc1ccc(NC(=O)C2=C(C)N=C3N=CNN3[C@@H]2c2cccc(OCc3ccc(Cl)cc3)c2)cc1 ZINC000408625966 572283696 /nfs/dbraw/zinc/28/36/96/572283696.db2.gz YWIATVPWYAXPBF-RUZDIDTESA-N 1 0 501.974 5.100 40 0 KKABRO CC(C)(C)OC(=O)n1cc(-c2ccc(C[NH+]3CCCCC3)cc2)c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 ZINC000257213817 572307677 /nfs/dbraw/zinc/30/76/77/572307677.db2.gz CJEMJVVTONDDLQ-XMMPIXPASA-N 1 0 524.706 6.434 40 0 KKABRO CN(CC12CC3CC(CC(C3)C1)C2)C(=O)[C@@H]1C[C@@H](c2ccn(C(C)(C)C)n2)[C@H](c2cccc(C(F)(F)F)c2)[NH2+]1 ZINC000257231445 572309277 /nfs/dbraw/zinc/30/92/77/572309277.db2.gz GGRYFAQYIIRRNE-IVNZUDBASA-N 1 0 542.690 6.519 40 0 KKABRO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@H+](CCc2c[nH]c3ccccc23)Cc2ccc(F)c(Cl)c2)C1 ZINC000257232720 572309443 /nfs/dbraw/zinc/30/94/43/572309443.db2.gz GMCBQAXHVCFLKB-VSGBNLITSA-N 1 0 522.020 5.387 40 0 KKABRO CN(Cc1ccccc1)C(=O)CC1(COc2ccccc2)CC[NH+](Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000257240919 572310245 /nfs/dbraw/zinc/31/02/45/572310245.db2.gz HVTBLIVQLJNCBZ-UHFFFAOYSA-N 1 0 526.599 6.295 40 0 KKABRO Cc1cc(OC[C@]2(CC(=O)N(C)Cc3ccccc3)CCC[N@H+](Cc3cnn(Cc4ccccc4)c3)C2)ccc1Cl ZINC000257254598 572311486 /nfs/dbraw/zinc/31/14/86/572311486.db2.gz KDVLEDFXYVBEJE-UMSFTDKQSA-N 1 0 571.165 6.603 40 0 KKABRO CC(C)(C)n1ccc([C@H]2C[C@@H](C(=O)Nc3cccc(OC(F)(F)F)c3)[NH2+][C@H]2c2ccc(Cl)cc2)n1 ZINC000257255415 572311564 /nfs/dbraw/zinc/31/15/64/572311564.db2.gz KHJORSOOGRGGLB-HJNYFJLDSA-N 1 0 506.956 6.016 40 0 KKABRO C[N@H+](CC1CCCCCCC1)C1CCC2(CC1)CN(C(=O)COc1ccccc1)Cc1ccccc1O2 ZINC000257274594 572313280 /nfs/dbraw/zinc/31/32/80/572313280.db2.gz NLUBCAOKFKAYMO-UHFFFAOYSA-N 1 0 504.715 6.460 40 0 KKABRO CC(C)(C)C1CCC(NC(=O)[C@@H]2C[C@H](c3ccn(C(C)(C)C)n3)[C@H](c3ccc(C(F)(F)F)cc3)[NH2+]2)CC1 ZINC000257283104 572314219 /nfs/dbraw/zinc/31/42/19/572314219.db2.gz OWTOEKLOGBQLLW-VDAMFIKVSA-N 1 0 518.668 6.565 40 0 KKABRO CC(C)=CCOc1cc2c(cc1C[N@H+](CCCn1cncn1)Cc1cccc(F)c1)OC(C)(C)[C@H]1CC[C@H](C)O[C@H]21 ZINC000257308388 572316732 /nfs/dbraw/zinc/31/67/32/572316732.db2.gz TWOCNYAHCRNYAD-OMLWRBBXSA-N 1 0 562.730 6.882 40 0 KKABRO Cc1cc(OC[C@@]2(CC(=O)N(C)Cc3ccccc3)CCC[N@H+](Cc3cccc(OC(F)(F)F)c3)C2)ccc1Cl ZINC000257311162 572316984 /nfs/dbraw/zinc/31/69/84/572316984.db2.gz UIFVIRFGBXIMRY-SSEXGKCCSA-N 1 0 575.071 7.257 40 0 KKABRO CC[N@H+](CCCNC(=O)C1(Cc2ccc(-c3cc(F)ccc3OC)cc2)CCOCC1)Cc1ccccc1 ZINC000257313486 572317155 /nfs/dbraw/zinc/31/71/55/572317155.db2.gz USSOJGYPSOQWGX-UHFFFAOYSA-N 1 0 518.673 5.869 40 0 KKABRO CC(C)(C)n1ccc([C@@H]2C[C@@H](C(=O)Nc3cccc(C(F)(F)F)c3)[NH2+][C@H]2c2cccc(C(F)(F)F)c2)n1 ZINC000257318816 572317669 /nfs/dbraw/zinc/31/76/69/572317669.db2.gz VPMXTQQDACSDHJ-BVSLBCMMSA-N 1 0 524.509 6.501 40 0 KKABRO Cc1cc(OC[C@@]2(CC(=O)N(C)Cc3ccccc3)CCC[N@H+](Cc3cccc4[nH]ccc43)C2)ccc1Cl ZINC000257322570 572318079 /nfs/dbraw/zinc/31/80/79/572318079.db2.gz WGNGVBOIPSTKJS-JGCGQSQUSA-N 1 0 530.112 6.840 40 0 KKABRO c1ccc(COC[C@@H]2[NH2+]C[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)cc1 ZINC000097976021 1069692819 /nfs/dbraw/zinc/69/28/19/1069692819.db2.gz HHIIDKLQTCPFQA-PSWJWLENSA-N 1 0 523.673 5.931 40 0 KKABRO O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000408710512 1069735813 /nfs/dbraw/zinc/73/58/13/1069735813.db2.gz ZKEFRBAMAKSVDH-UHFFFAOYSA-N 1 0 528.472 5.101 40 0 KKABRO Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C[NH+]4CCC(Cc5ccccc5)CC4)cc3)cc2)c1 ZINC000408923728 1070241273 /nfs/dbraw/zinc/24/12/73/1070241273.db2.gz KYGOMAWTYXDACG-UHFFFAOYSA-N 1 0 553.728 6.503 40 0 KKABRO CCc1nccn1CCCOc1cc(C[N@@H+]2CCC[C@@](O)(COc3ccc(C)cc3)CC2)ccc1OC ZINC000585270522 1071020018 /nfs/dbraw/zinc/02/00/18/1071020018.db2.gz FASRZIIFODZWQA-PMERELPUSA-N 1 0 507.675 5.028 40 0 KKABRO COc1ccc(C[NH+]2CCC(COc3ccc(Cl)c(Cl)c3)(OC)CC2)cc1OCCn1cccn1 ZINC000585270093 1071021718 /nfs/dbraw/zinc/02/17/18/1071021718.db2.gz BTFWBRGZODOCFZ-UHFFFAOYSA-N 1 0 520.457 5.338 40 0 KKABRO Cc1cc(C)n(CCOc2cccc(C[NH+]3CCC(O)(COc4ccc(Cl)c(Cl)c4)CC3)c2)n1 ZINC000585271826 1071023043 /nfs/dbraw/zinc/02/30/43/1071023043.db2.gz OVZWAKOOTWGDMF-UHFFFAOYSA-N 1 0 504.458 5.292 40 0 KKABRO Cc1ccn(CCOc2ccc(C[N@@H+]3CCC[C@@](O)(COc4ccc(Cl)c(Cl)c4)CC3)cc2)n1 ZINC000585271790 1071023308 /nfs/dbraw/zinc/02/33/08/1071023308.db2.gz CTRJWTWWBBBINS-SANMLTNESA-N 1 0 504.458 5.373 40 0 KKABRO COC1(COc2ccc(Cl)c(Cl)c2)CC[NH+](CC(=O)N(C)Cc2ccc3ncccc3c2)CC1 ZINC000585271680 1071023956 /nfs/dbraw/zinc/02/39/56/1071023956.db2.gz MUOBOEQYFAVUGN-UHFFFAOYSA-N 1 0 502.442 5.060 40 0 KKABRO CCc1nccn1CCCOc1cc(C[NH+]2CCC(COc3ccc(Cl)c(Cl)c3)(OC)CC2)ccc1OC ZINC000585271851 1071026100 /nfs/dbraw/zinc/02/61/00/1071026100.db2.gz OYVDPOBSWFGEPU-UHFFFAOYSA-N 1 0 562.538 6.290 40 0 KKABRO COc1cc(C[N@@H+]2CCC[C@@](O)(COc3cc(C)ccc3Cl)C2)ccc1OCCCn1ccnc1C ZINC000585271190 1071025324 /nfs/dbraw/zinc/02/53/24/1071025324.db2.gz LHJWSSGOVHBLPV-NDEPHWFRSA-N 1 0 514.066 5.037 40 0 KKABRO COc1cc(C[NH+]2CCC(COc3ccc(Cl)c(Cl)c3)(OC)CC2)ccc1OCCn1ccnc1 ZINC000585272685 1071028711 /nfs/dbraw/zinc/02/87/11/1071028711.db2.gz VLFUACLPDQNRAP-UHFFFAOYSA-N 1 0 520.457 5.338 40 0 KKABRO COc1cc(C[N@@H+]2CCC[C@@](O)(COc3ccc(Cl)c(Cl)c3)CC2)ccc1OCCn1cccn1 ZINC000585272289 1071029516 /nfs/dbraw/zinc/02/95/16/1071029516.db2.gz RXAXCRYNDYQZLI-SANMLTNESA-N 1 0 520.457 5.074 40 0 KKABRO COc1ccc(C[N@@H+]2CCC[C@](O)(COc3cc(C)c(Cl)c(C)c3)C2)cc1OCCCn1cccn1 ZINC000585274628 1071030443 /nfs/dbraw/zinc/03/04/43/1071030443.db2.gz LPCGBZCRXOIISR-MUUNZHRXSA-N 1 0 514.066 5.037 40 0 KKABRO CCc1nccn1CCCOc1ccc(C[N@@H+]2CCC[C@](O)(COc3ccc(C)cc3C)CC2)cc1OC ZINC000585272794 1071026825 /nfs/dbraw/zinc/02/68/25/1071026825.db2.gz WWYFGIUIMJFEOT-WJOKGBTCSA-N 1 0 521.702 5.336 40 0 KKABRO CCc1nccn1CCOc1ccc(C[N@@H+]2CCC[C@@](COc3ccc(C)cc3)(OC)CC2)cc1OC ZINC000585272704 1071028488 /nfs/dbraw/zinc/02/84/88/1071028488.db2.gz VNKITZAEEHGNSK-SSEXGKCCSA-N 1 0 507.675 5.292 40 0 KKABRO COC1(COc2cccc(Cl)c2)CC[NH+](Cc2ccc(OCCCN3CCCCC3=O)cc2)CC1 ZINC000585280435 1071036259 /nfs/dbraw/zinc/03/62/59/1071036259.db2.gz NLWMACAQOJEFBT-UHFFFAOYSA-N 1 0 501.067 5.181 40 0 KKABRO COc1cc(C[N@@H+]2CCC[C@](O)(COc3ccc(Cl)c(Cl)c3)CC2)ccc1OCCn1cccn1 ZINC000585272288 1071032308 /nfs/dbraw/zinc/03/23/08/1071032308.db2.gz RXAXCRYNDYQZLI-AREMUKBSSA-N 1 0 520.457 5.074 40 0 KKABRO CCc1nccn1CCOc1cccc(C[NH+]2CCC(COc3ccc(Cl)c(Cl)c3)(OC)CC2)c1 ZINC000585273626 1071032958 /nfs/dbraw/zinc/03/29/58/1071032958.db2.gz PZKHSCAAXWIDEF-UHFFFAOYSA-N 1 0 518.485 5.891 40 0 KKABRO COc1ccc(C[N@@H+]2CCC[C@@](O)(COc3ccc(Cl)c(Cl)c3)CC2)cc1OCCCn1cccn1 ZINC000585273802 1071032969 /nfs/dbraw/zinc/03/29/69/1071032969.db2.gz FBUUGLISFQAZBK-MHZLTWQESA-N 1 0 534.484 5.464 40 0 KKABRO CCc1nccn1CCCOc1cccc(C[NH+]2CCC(O)(COc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000585273402 1071034412 /nfs/dbraw/zinc/03/44/12/1071034412.db2.gz NNTFRAANOJPKIR-UHFFFAOYSA-N 1 0 518.485 5.627 40 0 KKABRO COc1cc(C[NH+]2CCC(COc3ccc(Cl)c(Cl)c3)(OC)CC2)ccc1OCCCn1cccn1 ZINC000585275161 1071035079 /nfs/dbraw/zinc/03/50/79/1071035079.db2.gz YNBPLVXKRIRSIL-UHFFFAOYSA-N 1 0 534.484 5.728 40 0 KKABRO COC1(COc2ccc(Cl)c(Cl)c2)CC[NH+](Cc2ccc(OCCCN3CCCCC3=O)cc2)CC1 ZINC000585280756 1071035842 /nfs/dbraw/zinc/03/58/42/1071035842.db2.gz SBOIPQSYRJFBCW-UHFFFAOYSA-N 1 0 535.512 5.835 40 0 KKABRO Cc1cc(OC[C@]2(O)CCC[N@H+](Cc3ccc(OCCn4cc(Cl)cn4)cc3)C2)cc(C)c1Cl ZINC000585279691 1071038294 /nfs/dbraw/zinc/03/82/94/1071038294.db2.gz FTKRWNVTHAOKLV-SANMLTNESA-N 1 0 504.458 5.292 40 0 KKABRO CC(C)[C@@H]1C[C@H](c2ccc(Cl)cc2)CO[C@H]1c1ccc(OCC(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000585292433 1071045930 /nfs/dbraw/zinc/04/59/30/1071045930.db2.gz MEJOWRJQOQEPQE-URBDOXFBSA-N 1 0 561.166 7.861 40 0 KKABRO O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1)c1ccc(C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000408925442 1071078250 /nfs/dbraw/zinc/07/82/50/1071078250.db2.gz TVUKGZFIAZUBDT-UHFFFAOYSA-N 1 0 595.552 6.369 40 0 KKABRO COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C[NH+]4CCN(c5ccccc5)CC4)cc3)cc2)cc1 ZINC000408920795 1071098119 /nfs/dbraw/zinc/09/81/19/1071098119.db2.gz NFNJBSHGGNSOMM-UHFFFAOYSA-N 1 0 556.688 5.071 40 0 KKABRO COc1ccccc1-c1cc([C@H]2C[N@@H+]3CC[C@H]2C[C@@H]3COC(=O)Nc2ccc(C(C)(C)C)cc2)n(C)n1 ZINC000012602827 1071239556 /nfs/dbraw/zinc/23/95/56/1071239556.db2.gz FOHHULVAXQGHIC-ZWSUVBHBSA-N 1 0 502.659 5.820 40 0 biogenic,in-vitro KKABRO O=[N+](/C(=C/N(O)c1c(Br)cc(F)cc1Br)c1cc(N2CCOCC2)cc2nonc21)c1c(Br)cc(F)cc1Br ZINC000408710519 1071509167 /nfs/dbraw/zinc/50/91/67/1071509167.db2.gz BFKXEALFSYFDMF-SRZZPIQSSA-N 1 0 796.035 7.692 40 0 KKABRO C=C1[NH+]=C(SCC(=O)Nc2ccccc2C(C)C)N[C@@H](c2cccc(Br)c2)C1C(=O)OCC ZINC000409335274 1072341180 /nfs/dbraw/zinc/34/11/80/1072341180.db2.gz KSUBQEDCWPOPQB-QHCPKHFHSA-N 1 0 530.488 5.782 40 0 KKABRO Cc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c2ccc(Oc3ccccc3)cc2)cc1 ZINC000409408852 1072814299 /nfs/dbraw/zinc/81/42/99/1072814299.db2.gz DRFKATUIVHENAM-UHFFFAOYSA-N 1 0 631.798 6.916 40 0 KKABRO COc1ccc(CCN2C[C@H](O)C(C)(C)COCCC[C@H]3C[N@H+](Cc4ccc(OC(F)(F)F)cc4)CC[C@H]3CC2=O)cc1 ZINC001534613420 1073172874 /nfs/dbraw/zinc/17/28/74/1073172874.db2.gz UBVKRSSBBPGNSS-VWYPKUQYSA-N 1 0 606.726 5.691 40 0 KKABRO COC(=O)NC(C(=O)[N+]1=C(c2nc(-c3ccc4c(c3)C(F)(F)c3cc(Br)ccc3-4)c[nH]2)CC2(CC2)C1)C(C)C ZINC001560407479 1073194875 /nfs/dbraw/zinc/19/48/75/1073194875.db2.gz ISZJFRVWTMFBPU-UHFFFAOYSA-O 1 0 598.468 6.684 40 0 KKABRO CCC1=C[C@@H]2CC(C1)Cc1c3ccccc3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@@H]1[C@]34CC[N@@H+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)C2 ZINC001560408852 1073195812 /nfs/dbraw/zinc/19/58/12/1073195812.db2.gz ZNHQYXHVEUNJPY-DOVUUNBWSA-N 1 0 776.951 5.849 40 0 KKABRO O=C(CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccccc1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000224504415 193950447 /nfs/dbraw/zinc/95/04/47/193950447.db2.gz JTQOSPBNXRWCTL-UHFFFAOYSA-N 1 0 532.493 5.101 40 0 KKABRO O=C(CN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccccc1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000224504486 193950790 /nfs/dbraw/zinc/95/07/90/193950790.db2.gz JUQCGLMMUABVJT-UHFFFAOYSA-N 1 0 555.700 5.586 40 0 KKABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c2ccc(Oc3ccccc3)cc2)cc1 ZINC000224504806 193950942 /nfs/dbraw/zinc/95/09/42/193950942.db2.gz QOXYVEQSJDVPTN-UHFFFAOYSA-N 1 0 569.727 5.895 40 0 KKABRO CC(C)(C)OC(=O)C[C@@H]1CCN(C(=O)Nc2ccc(OC(F)(F)F)cc2)C[C@@H]1CC[NH+]1CCN(c2ccccn2)CC1 ZINC000067870980 291907611 /nfs/dbraw/zinc/90/76/11/291907611.db2.gz CMUKJXNPNWDMSC-GOTSBHOMSA-N 1 0 591.675 5.394 40 0 biogenic,in-vitro KKABRO CCC[C@H](c1nnnn1CCc1ccccc1)N(Cc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001335586 551645396 /nfs/dbraw/zinc/64/53/96/551645396.db2.gz LBGAZTQFTVPEOU-MUUNZHRXSA-N 1 0 550.663 5.072 40 0 KKABRO CCC[C@H](c1nnnn1Cc1ccc(F)cc1)N(Cc1cccs1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000001338028 551646094 /nfs/dbraw/zinc/64/60/94/551646094.db2.gz WGMSNZSTIOURQY-XMMPIXPASA-N 1 0 546.628 5.036 40 0 KKABRO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)N(Cc1cccs1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374284 551653537 /nfs/dbraw/zinc/65/35/37/551653537.db2.gz GNAOTGOFMBZUQJ-VWLOTQADSA-N 1 0 502.619 5.225 40 0 KKABRO CC[C@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C1CCCCC1 ZINC000001374603 551654405 /nfs/dbraw/zinc/65/44/05/551654405.db2.gz GKOQZPWRTDYLDZ-HHHXNRCGSA-N 1 0 500.647 5.052 40 0 KKABRO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)N(Cc1ccc(C)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374721 551654602 /nfs/dbraw/zinc/65/46/02/551654602.db2.gz WIAGTDNGLYPDRS-NDEPHWFRSA-N 1 0 526.616 5.173 40 0 KKABRO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)C1CCCCC1 ZINC000001374960 551655985 /nfs/dbraw/zinc/65/59/85/551655985.db2.gz HMIDLBSNAUFLKO-RUZDIDTESA-N 1 0 534.636 5.005 40 0 KKABRO Cc1cccc(C[PH+](Cc2cccc(C)c2)CC2(Cp3c4ccccc4c4ccccc43)COC2)c1 ZINC000001651646 551688048 /nfs/dbraw/zinc/68/80/48/551688048.db2.gz NCFUYQICOXAVOK-UHFFFAOYSA-N 1 0 508.582 9.495 40 0 KKABRO CCOC(=O)Nc1cc(N[C@@H](C)CCC[NH+](CC)CC)c2ncc(-c3cc(OC)c(OC)c(OC)c3)nc2n1 ZINC000005049590 552492747 /nfs/dbraw/zinc/49/27/47/552492747.db2.gz OPEKYIAVQSJPFY-SFHVURJKSA-N 1 0 540.665 5.208 40 0 KKABRO CC[NH+](CC)CCCN(C(=O)c1ccc(-c2ccccc2)[nH]1)[C@@H](C(=O)NC1CCCCC1)c1ccc(O)cc1 ZINC000006511241 552597244 /nfs/dbraw/zinc/59/72/44/552597244.db2.gz NSXDVCKTCUADKE-SSEXGKCCSA-N 1 0 530.713 5.752 40 0 KKABRO CCCC[NH+](CCCC)C[C@@H](O)c1cc(-c2cccc(I)c2)nc2c(Cl)cc(Cl)cc12 ZINC000008628688 553104690 /nfs/dbraw/zinc/10/46/90/553104690.db2.gz ZYFNRUZELOGRDJ-XMMPIXPASA-N 1 0 571.330 7.749 40 0 KKABRO O=C(Nc1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000009063608 553205510 /nfs/dbraw/zinc/20/55/10/553205510.db2.gz FBRQYPVKFJCAOG-UHFFFAOYSA-N 1 0 517.626 5.630 40 0 KKABRO CC[NH+](CC)CCC[C@H](C)Nc1nc(/C=C/c2ccc(Br)cc2)nc2cccc(Cl)c21 ZINC000012411606 553363561 /nfs/dbraw/zinc/36/35/61/553363561.db2.gz WZOCQCUEULJXBF-QCUIPMNBSA-N 1 0 501.900 7.139 40 0 KKABRO COc1ccc(-c2csc(N(CCC[NH+](C)C)C(=O)c3c(C)nn(-c4ccccc4)c3Cl)n2)cc1 ZINC000012701796 553413683 /nfs/dbraw/zinc/41/36/83/553413683.db2.gz WVEWHGDTXOYKMN-UHFFFAOYSA-N 1 0 510.063 5.565 40 0 KKABRO CCc1ccc2[nH]c(=O)c(C[N@@H+]([C@H](CC)c3nnnn3Cc3ccc(F)cc3)C3CCCCC3)cc2c1 ZINC000013063741 553443775 /nfs/dbraw/zinc/44/37/75/553443775.db2.gz BEOHCXDVFKYVLE-HHHXNRCGSA-N 1 0 502.638 5.550 40 0 KKABRO CCOc1ccc2[nH]c(=O)c(C[N@H+]([C@H](c3nnnn3Cc3ccco3)C(C)C)C3CCCCC3)cc2c1 ZINC000013500678 553466070 /nfs/dbraw/zinc/46/60/70/553466070.db2.gz XFSIUPPXOWEMRY-SANMLTNESA-N 1 0 504.635 5.087 40 0 KKABRO O=C(CCCCCCNc1c2c([nH+]c3cc(Cl)cc(Cl)c31)CCCC2)NCCc1c[nH]c2ccccc12 ZINC000014946303 553522121 /nfs/dbraw/zinc/52/21/21/553522121.db2.gz ULGJWNIHLSLQPZ-UHFFFAOYSA-N 1 0 537.535 7.623 40 0 endogenous,in-man KKABRO CC(C)(C)c1ccc(-c2cc(C[C@H]3C[NH2+]CC[C@H]3CC(=O)N3CCC(Cc4ccccc4)CC3)no2)cc1 ZINC000015673746 553534039 /nfs/dbraw/zinc/53/40/39/553534039.db2.gz VZXJARPOVQUNGE-NSOVKSMOSA-N 1 0 513.726 6.279 40 0 biogenic,in-vitro KKABRO COc1ccc(CNC(=O)C[C@@H]2CC[NH2+]C[C@@H]2Cc2cc(-c3ccc(C(C)(C)C)cc3)on2)cc1OC ZINC000015673756 553534102 /nfs/dbraw/zinc/53/41/02/553534102.db2.gz HILWGKHZAPWQNZ-GOTSBHOMSA-N 1 0 505.659 5.131 40 0 biogenic,in-vitro KKABRO COc1cc(C[NH2+]C[C@@H](O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000016195588 553556372 /nfs/dbraw/zinc/55/63/72/553556372.db2.gz IHLWXYDEKSPRMS-OAQYLSRUSA-N 1 0 511.243 6.167 40 0 KKABRO CCOc1cc(C[NH2+]CCc2ccc(OC)c(OC)c2)cc(Br)c1OCc1ccc(F)cc1 ZINC000016688496 553573105 /nfs/dbraw/zinc/57/31/05/553573105.db2.gz CUCRUOMVGUVAHS-UHFFFAOYSA-N 1 0 518.423 5.915 40 0 KKABRO CCOc1cc(C[NH2+][C@@H](C)C23CC4CC(CC(C4)C2)C3)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000016688419 553573128 /nfs/dbraw/zinc/57/31/28/553573128.db2.gz ZCSODCDBZKJSKA-VZQOBPCUSA-N 1 0 532.950 7.775 40 0 KKABRO CCOc1cc(C[NH2+][C@H](C)C23CC4CC(CC(C4)C2)C3)cc(Br)c1OCc1ccccc1Cl ZINC000016688646 553573214 /nfs/dbraw/zinc/57/32/14/553573214.db2.gz DPOPENUBBDOCER-DKODJIDWSA-N 1 0 532.950 7.775 40 0 KKABRO CCC(=O)Oc1ccc([C@@H](C[NH+](C)C)OC(=O)C(c2ccccc2)c2ccccc2)cc1OC(=O)CC ZINC000017148006 553589084 /nfs/dbraw/zinc/58/90/84/553589084.db2.gz KDKOLDOPFLIRTB-AREMUKBSSA-N 1 0 503.595 5.295 40 0 KKABRO COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@H](Cc1ccc(O)c(c1)Oc1ccc(cc1)CC2=NCC3)[N@H+](C)CC4 ZINC000070665710 553596911 /nfs/dbraw/zinc/59/69/11/553596911.db2.gz XYCPAFFKEUHURW-NDEPHWFRSA-N 1 0 592.692 6.676 40 0 biogenic KKABRO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@@H+]1C[C@@H](O)[C@H](CSc1ccccc1)NC(=O)OCc1ccccc1 ZINC000072130581 553642060 /nfs/dbraw/zinc/64/20/60/553642060.db2.gz CADGDESSNWSRRZ-RIVMDFSBSA-N 1 0 567.796 5.230 40 0 in-vitro KKABRO COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1)N(c1ccc(N(C)CC3CCC([N@@H+]4CCN(C)C(=O)C4)CC3)cc1)C(=O)C2 ZINC000072314933 553647181 /nfs/dbraw/zinc/64/71/81/553647181.db2.gz CLRSLRWKONPSRQ-CPOWQTMSSA-N 1 0 659.271 6.584 40 0 in-vitro KKABRO COc1ccc2c(c1)N[C@@]1(CCC[N@H+](CCCC(c3ccc(F)cc3)c3ccc(F)cc3)C1)c1cccn1-2 ZINC000072336306 553650964 /nfs/dbraw/zinc/65/09/64/553650964.db2.gz BYQTZZHMAJNZDB-JGCGQSQUSA-N 1 0 513.632 7.093 40 0 KKABRO Cc1nnc(C(C)C)n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(O)cc1 ZINC000022061070 553725174 /nfs/dbraw/zinc/72/51/74/553725174.db2.gz FWOMXCBURQJRQH-SJIZWNSKSA-N 1 0 529.676 5.657 40 0 in-vitro KKABRO COc1cc(C[NH2+][C@H](C)C23CC4CC(CC(C4)C2)C3)cc(Br)c1OCc1ccc(F)cc1 ZINC000022073633 553725492 /nfs/dbraw/zinc/72/54/92/553725492.db2.gz YLLCZIUWISKQCH-KMOWTAILSA-N 1 0 502.468 6.870 40 0 KKABRO CCOc1cc(C[NH2+][C@H](C)C23CC4CC(CC(C4)C2)C3)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000022073657 553725521 /nfs/dbraw/zinc/72/55/21/553725521.db2.gz CCWBJVBWEQNXBD-LREROPASSA-N 1 0 522.944 8.319 40 0 KKABRO Clc1ccccc1COc1ccc2ccccc2c1C[NH2+]CCCSc1nnnn1-c1ccccc1 ZINC000022108833 553726074 /nfs/dbraw/zinc/72/60/74/553726074.db2.gz KVNYHGVWNYDVOG-UHFFFAOYSA-N 1 0 516.070 6.320 40 0 KKABRO Fc1ccccc1COc1ccc(Br)cc1C[NH2+]CCSc1nnnn1-c1ccccc1 ZINC000022107897 553726115 /nfs/dbraw/zinc/72/61/15/553726115.db2.gz YKPIIZVQRSDOEO-UHFFFAOYSA-N 1 0 514.424 5.025 40 0 KKABRO CCC(CC)OCC[NH+]1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1 ZINC000022587297 553747919 /nfs/dbraw/zinc/74/79/19/553747919.db2.gz DVTLHEGPDHXYHB-UHFFFAOYSA-N 1 0 507.666 6.521 40 0 KKABRO COc1cc2c3cc1Oc1c(OC)c(OC)c(OC)c4c1[C@@H](Cc1cc(O)c(OC)c(c1)Oc1ccc(cc1)C[C@H]3[N@H+](C)CC2)N(C)CC4 ZINC000096316273 553749385 /nfs/dbraw/zinc/74/93/85/553749385.db2.gz VSPLVBAGDNRNHN-FQLXRVMXSA-N 1 0 668.787 6.877 40 0 biogenic,in-vitro KKABRO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)cc2c1 ZINC000022866340 553763444 /nfs/dbraw/zinc/76/34/44/553763444.db2.gz DFEXSHHTZXYELX-UUWRZZSWSA-N 1 0 603.771 5.915 40 0 KKABRO O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000025778586 553813601 /nfs/dbraw/zinc/81/36/01/553813601.db2.gz ZGSHGMCFUDJYNK-UHFFFAOYSA-N 1 0 504.439 5.642 40 0 KKABRO O=C1[C@@H]2[C@H](C(=O)N1c1cccc(Cl)c1)[C@@H](Cc1ccccc1)[NH2+][C@@]21c2ccccc2N(Cc2ccccc2)C1=O ZINC000033354996 553932653 /nfs/dbraw/zinc/93/26/53/553932653.db2.gz OUNJCHWZWVJYTM-QKGBPWMMSA-N 1 0 548.042 5.102 40 0 KKABRO OCC(CO)[NH2+][C@H]1C[C@@](O)(CCc2ccccc2)[C@@H](Cc2ccccc2)[C@H](Cc2ccccc2)[C@@H]1Cc1ccccc1 ZINC000100071752 554201651 /nfs/dbraw/zinc/20/16/51/554201651.db2.gz FUJYFVMTHDIVAX-QJSJSUAPSA-N 1 0 563.782 5.642 40 0 in-vitro KKABRO O=C(Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000037021513 554230815 /nfs/dbraw/zinc/23/08/15/554230815.db2.gz VVEKJYDVVBLRSP-UHFFFAOYSA-N 1 0 503.546 5.354 40 0 KKABRO CSCC[C@H]1[NH2+][C@@]2(c3ccccc3N(Cc3ccccc3)C2=O)[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@H]12 ZINC000100150943 554231541 /nfs/dbraw/zinc/23/15/41/554231541.db2.gz XISMLAMAWBDSCB-QZZNWPIWSA-N 1 0 547.680 5.113 40 0 KKABRO O=C([C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000038864668 554278295 /nfs/dbraw/zinc/27/82/95/554278295.db2.gz RSPUYDAFOUDYJP-AREMUKBSSA-N 1 0 522.520 6.139 40 0 KKABRO Cc1cccc(C[NH+]2CCC(C(=O)Nc3ccc(S(=O)(=O)Nc4cc(Cl)ccc4C)cc3)CC2)c1 ZINC000039752592 554280030 /nfs/dbraw/zinc/28/00/30/554280030.db2.gz DRQFYUAJUMNRNK-UHFFFAOYSA-N 1 0 512.075 5.608 40 0 KKABRO O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000039768448 554281041 /nfs/dbraw/zinc/28/10/41/554281041.db2.gz GTONVBNLMHOKHP-UHFFFAOYSA-N 1 0 518.466 5.645 40 0 KKABRO COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3cc(c(OC)cc3CC[N@@H+]1C)Oc1c(O)c(OC)cc3c1[C@@H](C2)N(C)CC3 ZINC000040163550 554282683 /nfs/dbraw/zinc/28/26/83/554282683.db2.gz IIQSJHUEZBTSAT-FQLXRVMXSA-N 1 0 608.735 6.859 40 0 KKABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c2cccc(C)c2C)cc1 ZINC000044873991 554306750 /nfs/dbraw/zinc/30/67/50/554306750.db2.gz LDHFPBCJXHKZJQ-UHFFFAOYSA-N 1 0 519.711 5.109 40 0 KKABRO Cc1cccc(N(CC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000044874195 554306962 /nfs/dbraw/zinc/30/69/62/554306962.db2.gz VREONCNLKDBCGZ-UHFFFAOYSA-N 1 0 526.102 5.146 40 0 KKABRO Cc1ccccc1N(CC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000044874191 554306993 /nfs/dbraw/zinc/30/69/93/554306993.db2.gz BTGJMUHMVKWOJR-UHFFFAOYSA-N 1 0 526.102 5.146 40 0 KKABRO CC[NH+](CC)Cc1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000044904888 554309849 /nfs/dbraw/zinc/30/98/49/554309849.db2.gz NOJCZAZRSCQQLI-UHFFFAOYSA-N 1 0 512.503 5.016 40 0 KKABRO Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000044946786 554310449 /nfs/dbraw/zinc/31/04/49/554310449.db2.gz YJTVHGQZXZZZJB-LJQANCHMSA-N 1 0 512.075 5.933 40 0 KKABRO CC[C@@H](c1nnnn1C1CCCCC1)N(Cc1ccc(C)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000057641033 554361447 /nfs/dbraw/zinc/36/14/47/554361447.db2.gz VEQMDDLBFKBJCL-MHZLTWQESA-N 1 0 500.647 5.490 40 0 KKABRO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000059559253 554407149 /nfs/dbraw/zinc/40/71/49/554407149.db2.gz PQXQWEMPDJVPPS-UHFFFAOYSA-N 1 0 506.433 6.828 40 0 KKABRO COc1ccc([C@@H]2[NH2+][C@H](c3ccc(OC)cc3)C3C(=O)C2[C@@H](c2ccc(OC)cc2)N[C@@H]3c2ccc(OC)cc2)cc1 ZINC000059641106 554416938 /nfs/dbraw/zinc/41/69/38/554416938.db2.gz SJYGOTYPICEFKJ-FFDVQFSJSA-N 1 0 564.682 5.994 40 0 KKABRO CCc1cccc2c1NC(=O)[C@]21[N@@H+]2CCC[C@@H]2[C@@H](C(=O)c2ccc3ccccc3c2)[C@@]12c1ccccc1NC2=O ZINC000059785525 554430257 /nfs/dbraw/zinc/43/02/57/554430257.db2.gz QYQDPBFSISDNBS-XWXJLYGMSA-N 1 0 527.624 5.417 40 0 KKABRO COc1ccccc1OCC[N@@H+](Cc1ccccc1)C[C@H](O)COc1cccc2[nH]c3c(c21)CCCC3 ZINC000065734785 554527233 /nfs/dbraw/zinc/52/72/33/554527233.db2.gz OKDXKHYNAUXFOB-DEOSSOPVSA-N 1 0 500.639 5.376 40 0 in-vitro KKABRO O=C1CS[C@@]2(c3ccccc3N(CN3CC[C@H](c4ccccc4)C3)C2=O)N1c1ccc(OCc2ccccc2)cc1 ZINC000101645397 554815421 /nfs/dbraw/zinc/81/54/21/554815421.db2.gz SVESZRXDIDHUEH-NDOVKIIASA-N 1 0 561.707 5.992 40 0 KKABRO CCn1c(=O)/c(=C\C=C2/C=CN(CC)c3ccccc32)s/c1=C/C1=[N+](CC)[C@H](c2ccccc2)[C@H](c2ccccc2)S1 ZINC000102315728 554911618 /nfs/dbraw/zinc/91/16/18/554911618.db2.gz YKALLQKRNOWIGO-BOEFFNAKSA-N 1 0 590.838 6.588 40 0 KKABRO COc1cc(C[NH2+]CCCSc2nnnn2-c2ccccc2)cc(Br)c1OCc1ccccc1 ZINC000102558831 554966246 /nfs/dbraw/zinc/96/62/46/554966246.db2.gz BOWURWVXKKGFCY-UHFFFAOYSA-N 1 0 540.487 5.284 40 0 KKABRO Fc1ccc(COc2ccc(Br)cc2C[NH2+]CCCSc2nnnn2-c2ccccc2)cc1 ZINC000102558696 554966290 /nfs/dbraw/zinc/96/62/90/554966290.db2.gz HZIZZXOSAPXXHP-UHFFFAOYSA-N 1 0 528.451 5.415 40 0 KKABRO COc1cc(C[NH2+]CCCSc2nnnn2-c2ccccc2)ccc1OCc1ccc(Cl)cc1Cl ZINC000102558834 554966329 /nfs/dbraw/zinc/96/63/29/554966329.db2.gz VSHOMJCLPNEZMW-UHFFFAOYSA-N 1 0 530.481 5.829 40 0 KKABRO CCOc1cc(C[NH2+]CCSc2nnnn2-c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000102559305 554966550 /nfs/dbraw/zinc/96/65/50/554966550.db2.gz QNXSWZMRTYNTMU-UHFFFAOYSA-N 1 0 564.926 6.482 40 0 KKABRO Clc1ccc(COc2ccc(Br)cc2C[NH2+]CCSc2nnnn2-c2ccccc2)c(Cl)c1 ZINC000102559340 554966827 /nfs/dbraw/zinc/96/68/27/554966827.db2.gz XVSAYMCOWFAQJH-UHFFFAOYSA-N 1 0 565.324 6.193 40 0 KKABRO COc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccccc3Cl)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN23)cc1 ZINC000103536467 555435857 /nfs/dbraw/zinc/43/58/57/555435857.db2.gz HQINTFJHPQGABW-NIKYWZLZSA-N 1 0 561.037 6.330 40 0 KKABRO Cc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@@H](O)C[NH+]1CCN(C/C=C\c2ccccc2)CC1 ZINC000064245471 562704577 /nfs/dbraw/zinc/70/45/77/562704577.db2.gz SQHWUCVCWKDAIS-HTROVPBZSA-N 1 0 541.739 6.976 40 0 KKABRO c1ccc(Cn2c3ccccc3nc2-c2ccc(OC[C@@H](C3CC[NH2+]CC3)n3c4ccccc4nc3-c3ccccc3)cc2)cc1 ZINC000146272410 562838367 /nfs/dbraw/zinc/83/83/67/562838367.db2.gz LTZKEDSUXKTTTC-LHEWISCISA-N 1 0 603.770 8.388 40 0 KKABRO COc1cc2c3cc1Oc1c(OC)c(OC)c(OC)c4c1[C@H](Cc1cc(O)c(OC)c(c1)Oc1ccc(cc1)C[C@@H]3[N@H+](C)CC2)N(C)CC4 ZINC000253393406 565211623 /nfs/dbraw/zinc/21/16/23/565211623.db2.gz VSPLVBAGDNRNHN-VMPREFPWSA-N 1 0 668.787 6.877 40 0 biogenic,in-vitro KKABRO CCCOc1ccc(C(=O)[C@H]2[C@H](C(=O)c3cccc(OC)c3)N3C=Cc4ccccc4[C@@H]3[C@@]23c2ccccc2NC3=O)cc1 ZINC000103288097 571361476 /nfs/dbraw/zinc/36/14/76/571361476.db2.gz HEZOLSWARVYMRV-YUIGLEDNSA-N 1 0 584.672 6.466 40 0 KKABRO CCCOc1ccc(C(=O)[C@H]2[C@H](C(=O)c3cc(OC)ccc3OC)N3C=Cc4ccccc4[C@@H]3[C@@]23c2ccccc2NC3=O)cc1 ZINC000103287960 571361523 /nfs/dbraw/zinc/36/15/23/571361523.db2.gz KITQYGYVCYNJBY-FBMCJCTKSA-N 1 0 614.698 6.474 40 0 KKABRO CCCOc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccc4c(c3)OCO4)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000103288064 571361558 /nfs/dbraw/zinc/36/15/58/571361558.db2.gz HMSACZQRUSJPKE-YUIGLEDNSA-N 1 0 598.655 6.186 40 0 KKABRO COc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc(OC(C)C)cc3)[C@@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN23)cc1 ZINC000103528256 571361748 /nfs/dbraw/zinc/36/17/48/571361748.db2.gz KOWNEUAZNSISRI-JWXXLELASA-N 1 0 584.672 6.464 40 0 KKABRO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1cc(I)ccc1Cl ZINC000104907947 571387187 /nfs/dbraw/zinc/38/71/87/571387187.db2.gz ZFCOWVNCMUMETF-UHFFFAOYSA-N 1 0 531.825 5.519 40 0 KKABRO Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3ccc(N4CC[NH+](Cc5ccccc5)CC4)cc3)o2)cc1Cl ZINC000105318430 571400817 /nfs/dbraw/zinc/40/08/17/571400817.db2.gz WVOZUMNTVZYYKR-UHFFFAOYSA-N 1 0 545.108 6.357 40 0 KKABRO O=C(NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000105318425 571400874 /nfs/dbraw/zinc/40/08/74/571400874.db2.gz SDUYAWDVSAYEGP-UHFFFAOYSA-N 1 0 565.526 6.702 40 0 KKABRO O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000105322723 571403227 /nfs/dbraw/zinc/40/32/27/571403227.db2.gz ROOFMLGIPIVMHQ-ACCUITESSA-N 1 0 532.471 7.228 40 0 KKABRO Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)NCCC[NH+]2CCC(C)CC2)cc1 ZINC000113629870 571441736 /nfs/dbraw/zinc/44/17/36/571441736.db2.gz IRFOWKBUSJMKGZ-UHFFFAOYSA-N 1 0 554.156 5.896 40 0 KKABRO Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)NCCC[NH+]2CCC(C)CC2)cc1)S(=O)(=O)c1ccccc1 ZINC000113630786 571441878 /nfs/dbraw/zinc/44/18/78/571441878.db2.gz HBRHJDUOSAUHGF-UHFFFAOYSA-N 1 0 554.156 5.896 40 0 KKABRO CC(=O)O[C@@H]1CC[C@@]2(C)C(=C[C@@H]([NH+]3CCCCC3)[C@H]3[C@@H]4CC[C@H]([C@@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1 ZINC000123240497 571448356 /nfs/dbraw/zinc/44/83/56/571448356.db2.gz LDLFMTWFFWGZLY-BMUMHLAYSA-N 1 0 511.835 8.424 40 0 KKABRO Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000139855289 571454073 /nfs/dbraw/zinc/45/40/73/571454073.db2.gz AHSMRADINQGSJR-UHFFFAOYSA-N 1 0 553.728 5.916 40 0 KKABRO O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000139870611 571454126 /nfs/dbraw/zinc/45/41/26/571454126.db2.gz WWYVBUJXPWJEOO-UHFFFAOYSA-N 1 0 546.520 5.491 40 0 KKABRO CCOc1ccc(N(CC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000139875570 571454208 /nfs/dbraw/zinc/45/42/08/571454208.db2.gz WNSYHWRYRNJILZ-UHFFFAOYSA-N 1 0 556.128 5.236 40 0 KKABRO CCOC(=O)[C@@H](C)NC(=O)[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000150382637 571467264 /nfs/dbraw/zinc/46/72/64/571467264.db2.gz QMRLLTMNQJHCEC-DFABAFTESA-N 1 0 704.936 8.730 40 0 KKABRO CS(=O)(=O)N(Cc1ccc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1)c1cc(Cl)cc(Cl)c1 ZINC000224533136 571568211 /nfs/dbraw/zinc/56/82/11/571568211.db2.gz BIWJADRNFRPPBI-UHFFFAOYSA-N 1 0 560.547 5.876 40 0 KKABRO O=c1sc2cc(S(=O)(=O)NCc3ccc(C[NH+]4CCCCC4)cc3)ccc2n1Cc1ccc(Cl)cc1 ZINC000224540601 571570131 /nfs/dbraw/zinc/57/01/31/571570131.db2.gz GLHHVGJZLWCDTE-UHFFFAOYSA-N 1 0 542.126 5.229 40 0 KKABRO CN1c2ccc3ccccc3c2C(C)(C)C1=CC=CC=CC1=[N+](CCCCCC(=O)NCCN2C(=O)C=CC2=O)c2ccc3ccccc3c2C1(C)C ZINC000205998259 571572308 /nfs/dbraw/zinc/57/23/08/571572308.db2.gz SVYDQEDZXRDAHZ-UHFFFAOYSA-O 1 0 705.923 8.395 40 0 KKABRO O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224595614 571582798 /nfs/dbraw/zinc/58/27/98/571582798.db2.gz VJRPWMZELKLUNH-UHFFFAOYSA-N 1 0 532.493 5.101 40 0 KKABRO Cc1ccc(N(CC(=O)NCc2cccc(C[NH+]3CCCC3)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1C ZINC000224604603 571584739 /nfs/dbraw/zinc/58/47/39/571584739.db2.gz KNYGWYRCCHZLOW-UHFFFAOYSA-N 1 0 526.102 5.064 40 0 KKABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2cccc(C[NH+]3CCCC3)c2)c2cc(Cl)ccc2Cl)cc1 ZINC000224620158 571588433 /nfs/dbraw/zinc/58/84/33/571588433.db2.gz CXIMGHNQDSSJHP-UHFFFAOYSA-N 1 0 546.520 5.409 40 0 KKABRO CC1CC[NH+](Cc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(Br)cc4)cc3)cc2)CC1 ZINC000216000280 571591213 /nfs/dbraw/zinc/59/12/13/571591213.db2.gz ZRZDZHOXHFJYKD-UHFFFAOYSA-N 1 0 542.499 5.734 40 0 KKABRO CS(=O)(=O)N(Cc1ccc(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1)c1cc(Cl)cc(Cl)c1 ZINC000224634264 571591309 /nfs/dbraw/zinc/59/13/09/571591309.db2.gz ZPBYOMXLIUFGBP-UHFFFAOYSA-N 1 0 546.520 5.485 40 0 KKABRO Cc1nccn1-c1ccc(CNC(=O)c2ccc(CN(c3cc(Cl)ccc3C)S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000216261610 571593844 /nfs/dbraw/zinc/59/38/44/571593844.db2.gz RRSLNIYQRQKCQZ-UHFFFAOYSA-N 1 0 585.129 6.468 40 0 KKABRO O=C(CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224650398 571595317 /nfs/dbraw/zinc/59/53/17/571595317.db2.gz PAEYEJNSGASGMA-UHFFFAOYSA-N 1 0 580.072 5.856 40 0 KKABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2cccc(C[NH+]3CCCCC3)c2)c2ccc(C(C)C)cc2)cc1 ZINC000224651061 571595425 /nfs/dbraw/zinc/59/54/25/571595425.db2.gz MMGFEGIWJGXDRG-UHFFFAOYSA-N 1 0 533.738 5.616 40 0 KKABRO CCOc1ccc(N(CC(=O)NCc2cccc(C[NH+]3CCCCC3)c2)S(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000224656342 571596843 /nfs/dbraw/zinc/59/68/43/571596843.db2.gz FBKDINUYEFVDHJ-UHFFFAOYSA-N 1 0 567.777 5.305 40 0 KKABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2cccc(C[NH+]3CCCCC3)c2)c2cccc(C)c2C)cc1 ZINC000224657698 571597151 /nfs/dbraw/zinc/59/71/51/571597151.db2.gz RCUKOPLBSVQBDC-UHFFFAOYSA-N 1 0 519.711 5.109 40 0 KKABRO CS(=O)(=O)N(Cc1ccc(C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)cc1)c1cccc(Cl)c1 ZINC000224667771 571599116 /nfs/dbraw/zinc/59/91/16/571599116.db2.gz ZYGYGCXLWUBHOS-UHFFFAOYSA-N 1 0 526.102 5.222 40 0 KKABRO COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cc[nH+]cc2)cc1Cl ZINC000224043199 571600809 /nfs/dbraw/zinc/60/08/09/571600809.db2.gz REDLYJAMORHECM-DQEYMECFSA-N 1 0 506.031 5.123 40 0 KKABRO O=C(CN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccccc1)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224678047 571601449 /nfs/dbraw/zinc/60/14/49/571601449.db2.gz PEBBLDWASAAOTN-UHFFFAOYSA-N 1 0 569.727 5.977 40 0 KKABRO CC(C)(C)c1ccc2c(c1)N(S(=O)(=O)c1ccccc1)C[C@@H](C(=O)NCc1cccc(C[NH+]3CCCCC3)c1)O2 ZINC000224684160 571603294 /nfs/dbraw/zinc/60/32/94/571603294.db2.gz GYLHTLWJJSPZKD-PMERELPUSA-N 1 0 561.748 5.243 40 0 KKABRO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1CCC[NH+]1CCOCC1 ZINC000224700750 571606736 /nfs/dbraw/zinc/60/67/36/571606736.db2.gz KHCZRUCMBAZNDE-SAIUNTKASA-N 1 0 581.786 6.500 40 0 KKABRO O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)NCc1ccccc1C[NH+]1CCCC1 ZINC000224761859 571614747 /nfs/dbraw/zinc/61/47/47/571614747.db2.gz GYKSEYBTFVUNPF-UHFFFAOYSA-N 1 0 532.493 5.101 40 0 KKABRO O=C(CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)NCc1ccccc1C[NH+]1CCCC1 ZINC000224761729 571614749 /nfs/dbraw/zinc/61/47/49/571614749.db2.gz VVIBVTDOKUJJJR-UHFFFAOYSA-N 1 0 532.493 5.101 40 0 KKABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2C[NH+]2CCCC2)c2cc(Cl)cc(Cl)c2)cc1 ZINC000224763550 571614955 /nfs/dbraw/zinc/61/49/55/571614955.db2.gz RQTPTURCPOUMAG-UHFFFAOYSA-N 1 0 546.520 5.409 40 0 KKABRO Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000224768460 571615291 /nfs/dbraw/zinc/61/52/91/571615291.db2.gz LQXGVUOKKXCQRK-UHFFFAOYSA-N 1 0 588.173 6.570 40 0 KKABRO CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000224817564 571619917 /nfs/dbraw/zinc/61/99/17/571619917.db2.gz YPNHQPZKWUHYTL-UHFFFAOYSA-N 1 0 526.102 5.222 40 0 KKABRO CS(=O)(=O)N(CC(=O)NCc1ccccc1C[NH+]1CCCCC1)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000224820617 571620238 /nfs/dbraw/zinc/62/02/38/571620238.db2.gz IISJURRHLFRSQJ-UHFFFAOYSA-N 1 0 549.781 5.223 40 0 KKABRO Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCc3ccccc3C[NH+]3CCCCC3)c(Cl)c2)cc1 ZINC000224836083 571621860 /nfs/dbraw/zinc/62/18/60/571621860.db2.gz DGUYTSQTAJONFX-UHFFFAOYSA-N 1 0 512.075 5.365 40 0 KKABRO CS(=O)(=O)N(Cc1ccc(C(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1)c1cc(Cl)cc(Cl)c1 ZINC000224847909 571622812 /nfs/dbraw/zinc/62/28/12/571622812.db2.gz PKMUWKRETQGDTF-UHFFFAOYSA-N 1 0 560.547 5.876 40 0 KKABRO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c(C)n1CCC[NH+]1CCOCC1 ZINC000225069586 571643917 /nfs/dbraw/zinc/64/39/17/571643917.db2.gz OGPPHDNATCDYMD-NOCHOARKSA-N 1 0 624.811 5.417 40 0 KKABRO COc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCc3ccccc3C[NH+]3CCCCC3)Oc3ccc(C(C)(C)C)cc32)cc1 ZINC000260895234 571813412 /nfs/dbraw/zinc/81/34/12/571813412.db2.gz JHJDYULVPKIXFK-WJOKGBTCSA-N 1 0 591.774 5.251 40 0 KKABRO CC(C)(C)c1ccc2c(c1)N(S(=O)(=O)c1ccccc1)C[C@H](C(=O)NCc1ccccc1C[NH+]1CCCCC1)O2 ZINC000260897589 571816559 /nfs/dbraw/zinc/81/65/59/571816559.db2.gz NDWVMSSGKVGMFX-SSEXGKCCSA-N 1 0 561.748 5.243 40 0 KKABRO CC(C)(C)C[C@@H]1[N@@H+]2[C@@H](C(=O)O[C@@H](c3ccccc3)[C@@H]2c2ccccc2)[C@@H](c2cccc(Cl)c2F)[C@@]12C(=O)Nc1cc(Cl)ccc12 ZINC000225491542 571861669 /nfs/dbraw/zinc/86/16/69/571861669.db2.gz RPMFQFBFADLWIT-ALTATQRNSA-N 1 0 643.586 8.635 40 0 KKABRO C[NH+]1CCC(Oc2ccc(NS(=O)(=O)c3ccc4c(c3)sc(=O)n4Cc3ccccc3Cl)cc2)CC1 ZINC000225806966 572073205 /nfs/dbraw/zinc/07/32/05/572073205.db2.gz JRQPJUZXTIUHKJ-UHFFFAOYSA-N 1 0 544.098 5.039 40 0 KKABRO Cc1cc(Br)ccc1Nc1cc(-c2cccc(OC(F)(F)F)c2)nc(NCCC[NH+](C)C)n1 ZINC000329020804 572149402 /nfs/dbraw/zinc/14/94/02/572149402.db2.gz OCTUFANPHAWVRJ-UHFFFAOYSA-N 1 0 524.385 6.220 40 0 KKABRO O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000408573260 572258715 /nfs/dbraw/zinc/25/87/15/572258715.db2.gz NFBJSBLKMBCKJK-FBMGVBCBSA-N 1 0 522.674 5.795 40 0 KKABRO COc1ccc(CCNC(=O)c2ccccc2NC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)cc1OC ZINC000408574048 572259259 /nfs/dbraw/zinc/25/92/59/572259259.db2.gz HRYSTQQJBRSIBJ-UHFFFAOYSA-N 1 0 549.671 5.487 40 0 KKABRO CCCc1ccc(C[N@@H+]2CCC[C@](COc3ccc(Cl)c(C)c3)(CC(=O)N(C)Cc3ccccc3)C2)o1 ZINC000257202380 572306536 /nfs/dbraw/zinc/30/65/36/572306536.db2.gz ALMUFXNRPJCRIW-HKBQPEDESA-N 1 0 523.117 6.904 40 0 KKABRO CC(C)(C)n1ccc([C@H]2C[C@@H](C(=O)Nc3ccc(C(F)(F)F)cc3)[NH2+][C@H]2c2ccc(Cl)c(F)c2)n1 ZINC000257203972 572306737 /nfs/dbraw/zinc/30/67/37/572306737.db2.gz ASKUUDMSOAQUTQ-WTNAPCKOSA-N 1 0 508.947 6.275 40 0 KKABRO CC(C)(C)n1ccc([C@@H]2C[C@@H](C(=O)N[C@H]3C[C@H]4CC[C@]3(C)C4(C)C)[NH2+][C@H]2c2ccc(C(F)(F)F)cc2)n1 ZINC000257214337 572307659 /nfs/dbraw/zinc/30/76/59/572307659.db2.gz CLQCZPNDTBRSPK-QIMAYSHRSA-N 1 0 516.652 6.175 40 0 KKABRO Cc1cc(OC[C@]2(CC(=O)N3CCN(C)CC3)CCC[N@@H+](Cc3cn(C(C)C)c4ccccc34)C2)ccc1Cl ZINC000257217656 572307992 /nfs/dbraw/zinc/30/79/92/572307992.db2.gz CZYUYSKOUIBWJE-YTTGMZPUSA-N 1 0 551.175 6.009 40 0 KKABRO Cc1ccsc1C[N@H+]1CCC[C@](COc2ccc(Cl)c(C)c2)(CC(=O)N(C)Cc2ccccc2)C1 ZINC000257220003 572308147 /nfs/dbraw/zinc/30/81/47/572308147.db2.gz DJDVRXODTUVXAK-LJAQVGFWSA-N 1 0 511.131 6.728 40 0 KKABRO Cc1cc(OC[C@]2(CC(=O)N3CCN(C)CC3)CCC[N@H+](Cc3cccc(OC(F)(F)F)c3)C2)ccc1Cl ZINC000257225526 572308785 /nfs/dbraw/zinc/30/87/85/572308785.db2.gz FGOYERSIHUUNAO-MHZLTWQESA-N 1 0 554.053 5.372 40 0 KKABRO CN(CC12CC3CC(CC(C3)C1)C2)C(=O)[C@@H]1C[C@H](c2ccn(C(C)(C)C)n2)[C@H](c2ccc(C(F)(F)F)cc2)[NH2+]1 ZINC000257234987 572309736 /nfs/dbraw/zinc/30/97/36/572309736.db2.gz GVWSINYUXFOCGR-HWGQCEMASA-N 1 0 542.690 6.519 40 0 KKABRO CC(C)(C)n1ccc([C@H]2C[C@@H](C(=O)N[C@H]3C[C@H]4CC[C@]3(C)C4(C)C)[NH2+][C@H]2c2cccc(C(F)(F)F)c2)n1 ZINC000257244210 572310505 /nfs/dbraw/zinc/31/05/05/572310505.db2.gz IKJUXRQUIXVJDE-ZPBVCUQASA-N 1 0 516.652 6.175 40 0 KKABRO Cc1ccc(C[N@H+]2CCC[C@@](COc3ccc(Cl)c(C)c3)(CC(=O)N(C)Cc3ccccc3)C2)s1 ZINC000257245751 572310579 /nfs/dbraw/zinc/31/05/79/572310579.db2.gz IQYLJFZIIDSQBM-GDLZYMKVSA-N 1 0 511.131 6.728 40 0 KKABRO Cc1cc(OC[C@@]2(CC(=O)N(C)Cc3ccccc3)CCC[N@H+](CCCc3ccccc3)C2)ccc1Cl ZINC000257260482 572312090 /nfs/dbraw/zinc/31/20/90/572312090.db2.gz LDAMBIIRTUMIED-JGCGQSQUSA-N 1 0 519.129 6.791 40 0 KKABRO C[NH+]1CCN(Cc2cccc(-c3cn(C(=O)OC(C)(C)C)nc3[C@H]3CCCN(C(=O)OC(C)(C)C)C3)c2)CC1 ZINC000257269750 572312796 /nfs/dbraw/zinc/31/27/96/572312796.db2.gz MRFKRRODHLPCEV-DEOSSOPVSA-N 1 0 539.721 5.195 40 0 KKABRO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@H+](CCc2c[nH]c3ccccc23)Cc2cc(Cl)cc(Cl)c2)C1 ZINC000257271441 572313014 /nfs/dbraw/zinc/31/30/14/572313014.db2.gz MYIVYVJDEAXZJD-VSGBNLITSA-N 1 0 538.475 5.901 40 0 KKABRO Cc1cc(C[N@@H+]2CCC[C@@](COc3ccc(Cl)c(C)c3)(CC(=O)N3CCOCC3)C2)c(C)n1Cc1ccccc1 ZINC000257281471 572313895 /nfs/dbraw/zinc/31/38/95/572313895.db2.gz OPISFVUDEKHFEK-MGBGTMOVSA-N 1 0 564.170 6.025 40 0 KKABRO Cc1cc(OC[C@]2(CC(=O)N(C)Cc3ccccc3)CCC[N@H+](Cc3cccc(Cl)c3)C2)ccc1Cl ZINC000257285532 572314512 /nfs/dbraw/zinc/31/45/12/572314512.db2.gz PHQAPZSQTYZCKR-PMERELPUSA-N 1 0 525.520 7.012 40 0 KKABRO CC(C)(C)n1ccc([C@@H]2C[C@@H](C(=O)Nc3ccc(OC(F)(F)F)cc3)[NH2+][C@H]2c2ccc(Cl)c(F)c2)n1 ZINC000257293242 572315197 /nfs/dbraw/zinc/31/51/97/572315197.db2.gz QORTTYKDRVMTJG-HSQYWUDLSA-N 1 0 524.946 6.155 40 0 KKABRO CCc1cccc2c(C[N@@H+]3CCC[C@@](COc4ccc(Cl)c(C)c4)(CC(=O)N(C)Cc4ccccc4)C3)cn(C)c21 ZINC000257301256 572315919 /nfs/dbraw/zinc/31/59/19/572315919.db2.gz RXRJYZIBNGOWSZ-PGUFJCEWSA-N 1 0 572.193 7.412 40 0 KKABRO CC(C)(C)n1ccc([C@@H]2C[C@@H](C(=O)N3CCC4(C3)CCCCC4)[NH2+][C@H]2c2cccc(C(F)(F)F)c2)n1 ZINC000257304524 572316269 /nfs/dbraw/zinc/31/62/69/572316269.db2.gz SMBABCTVTLHORQ-XWGVYQGASA-N 1 0 502.625 6.027 40 0 KKABRO Cc1nn(C)c(C)c1C[N@H+]1CCC[C@](COc2ccc(Cl)c(C)c2)(CC(=O)N(C)Cc2ccccc2)C1 ZINC000257306201 572316429 /nfs/dbraw/zinc/31/64/29/572316429.db2.gz STGYWXZLCALEDW-PMERELPUSA-N 1 0 523.121 5.709 40 0 KKABRO Cc1cc(OC[C@@]2(CC(=O)N(C)Cc3ccccc3)CCC[N@H+](Cc3cnn(C4CCCCC4)c3)C2)ccc1Cl ZINC000257312411 572317019 /nfs/dbraw/zinc/31/70/19/572317019.db2.gz UNVIEZFIKGCAKB-MGBGTMOVSA-N 1 0 563.186 7.060 40 0 KKABRO CC(C)Oc1ccc(NC(=O)[C@@H]2C[C@H](c3ccn(C(C)(C)C)n3)[C@H](c3cccc(C(F)(F)F)c3)[NH2+]2)cc1 ZINC000257312578 572317143 /nfs/dbraw/zinc/31/71/43/572317143.db2.gz UOPAZQKOLQPGJV-VJTSUQJLSA-N 1 0 514.592 6.270 40 0 KKABRO CC(C)Oc1cccc(NC(=O)[C@@H]2C[C@@H](c3ccn(C(C)(C)C)n3)[C@H](c3ccc(C(F)(F)F)cc3)[NH2+]2)c1 ZINC000257318062 572317682 /nfs/dbraw/zinc/31/76/82/572317682.db2.gz VMIJEPMSSDCELH-HVCNVCAESA-N 1 0 514.592 6.270 40 0 KKABRO CC(C)(C)OC(=O)N1CCCCC[C@H]2[C@@H]1[C@H](c1ccccc1)CN2C(=O)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000257324185 572318248 /nfs/dbraw/zinc/31/82/48/572318248.db2.gz WNPBZJZWZIAPFF-DTXPUJKBSA-N 1 0 547.740 5.949 40 0 KKABRO CCCn1cc(C[NH+]2CCC(COc3ccccc3)(CC(=O)N(C)Cc3ccccc3)CC2)c2ccccc21 ZINC000257339951 572319748 /nfs/dbraw/zinc/31/97/48/572319748.db2.gz ZDWYRYGBQCSLLG-UHFFFAOYSA-N 1 0 523.721 6.761 40 0 KKABRO