smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc2nc(-c3ccc(N4C(=O)C[C@H]([N@@H+]5CCC[C@@H]6CCCC[C@H]65)C4=O)cc3)sc2c1 ZINC000001010209 194002590 /nfs/dbraw/zinc/00/25/90/194002590.db2.gz AAUUMHAFSZYNOZ-NMNUPHIUSA-N 1 0 459.615 5.558 50 0 JKAARO CC(C)[NH+](CCN1C(=O)CS[C@@H]1c1cccc(Oc2cccc(C(F)(F)F)c2)c1)C(C)C ZINC000001553996 194127825 /nfs/dbraw/zinc/12/78/25/194127825.db2.gz XWLLOXGQVBTCRV-HSZRJFAPSA-N 1 0 466.569 6.191 50 0 JKAARO COc1ccc([C@H]2[NH2+]CCc3c4ccccc4[nH]c32)cc1COc1ccccc1C1CCCCC1 ZINC000001789950 194140954 /nfs/dbraw/zinc/14/09/54/194140954.db2.gz FIQQLJZRRJZKJB-SSEXGKCCSA-N 1 0 466.625 7.038 50 0 biogenic,in-vitro JKAARO Cc1c(Cl)cccc1NC(=O)C1CC[NH+](Cc2cnn(-c3ccccc3)c2-n2cccc2)CC1 ZINC000002960438 194181395 /nfs/dbraw/zinc/18/13/95/194181395.db2.gz VCWDHAKLIJZTDC-UHFFFAOYSA-N 1 0 474.008 5.476 50 0 JKAARO O=c1c2sc3ccccc3c2nc(SCc2cccc(Cl)c2)n1CCC[NH+]1CCCC1 ZINC000002961998 194182150 /nfs/dbraw/zinc/18/21/50/194182150.db2.gz FSORBHVDYSEPLW-UHFFFAOYSA-N 1 0 470.063 6.043 50 0 JKAARO C[N@H+](CCCNC(=O)c1cc(Sc2ccc(F)cc2)nc2ccccc21)C1CCCCC1 ZINC000003040031 194215070 /nfs/dbraw/zinc/21/50/70/194215070.db2.gz UKJMROKAICCBHI-UHFFFAOYSA-N 1 0 451.611 5.910 50 0 JKAARO CC(C)C[NH+](CCCNC(=O)c1cc(Sc2ccc(Cl)cc2)nc2ccccc21)CC(C)C ZINC000003040384 194215198 /nfs/dbraw/zinc/21/51/98/194215198.db2.gz JYLVPPRANKSOLL-UHFFFAOYSA-N 1 0 484.109 6.773 50 0 JKAARO CC[NH+](CC)CCCNC(=O)c1ccc2c(c1)N(Cc1ccc(C)cc1)C(=O)c1ccccc1S2 ZINC000003040398 194215259 /nfs/dbraw/zinc/21/52/59/194215259.db2.gz YJINTYSRKCFNOZ-UHFFFAOYSA-N 1 0 487.669 5.768 50 0 JKAARO O=C(NCC[NH+]1CCCC1)c1ccc2c(c1)N(Cc1ccccc1Cl)C(=O)c1ccccc1S2 ZINC000003054320 194220197 /nfs/dbraw/zinc/22/01/97/194220197.db2.gz KHKPLIQKCIJVCQ-UHFFFAOYSA-N 1 0 492.044 5.477 50 0 JKAARO Cc1ccc(/C=C2\Sc3ccccc3N(CC(=O)NCCC[N@@H+](C)Cc3ccccc3)C2=O)cc1 ZINC000003046649 194216752 /nfs/dbraw/zinc/21/67/52/194216752.db2.gz SJDOSALRWNJGPG-DIBXZPPDSA-N 1 0 485.653 5.113 50 0 JKAARO COc1cc2c(cc1OCc1ccccc1)[C@@H](Cc1ccc(OCc3ccccc3)cc1)[N@H+](C)C2 ZINC000003124386 194228777 /nfs/dbraw/zinc/22/87/77/194228777.db2.gz JRVRJAICROYIRM-GDLZYMKVSA-N 1 0 465.593 6.582 50 0 JKAARO COc1cc2c(cc1OCc1ccccc1)[C@H](Cc1ccc(OCc3ccccc3)cc1)[N@H+](C)C2 ZINC000003124388 194228935 /nfs/dbraw/zinc/22/89/35/194228935.db2.gz JRVRJAICROYIRM-LJAQVGFWSA-N 1 0 465.593 6.582 50 0 JKAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1cc(-c2ccc(F)cc2)nc2ccccc21 ZINC000003204303 194238674 /nfs/dbraw/zinc/23/86/74/194238674.db2.gz IDHSWRAXURQYND-CUBQBAPOSA-N 1 0 451.545 5.797 50 0 JKAARO Cc1nn(-c2ccccc2)c2sc(C(=O)N[C@@H](C)[C@@H](c3cccs3)[NH+]3CCCC3)cc12 ZINC000003265062 194256209 /nfs/dbraw/zinc/25/62/09/194256209.db2.gz FHVVRMVZRQSQTH-JTSKRJEESA-N 1 0 450.633 5.412 50 0 JKAARO Cc1nn(-c2ccccc2Cl)c2sc(C(=O)N[C@H](C)[C@H](c3cccs3)[NH+]3CCCC3)cc12 ZINC000003265076 194256222 /nfs/dbraw/zinc/25/62/22/194256222.db2.gz QRDDWUOPKONADD-OPAMFIHVSA-N 1 0 485.078 6.066 50 0 JKAARO CCOC(=O)c1c(NC(=S)Nc2ccccc2Cl)sc2c1CC(C)(C)[NH2+]C2(C)C ZINC000003291235 194267424 /nfs/dbraw/zinc/26/74/24/194267424.db2.gz SMIPLABGAYSCKQ-UHFFFAOYSA-N 1 0 452.045 5.547 50 0 JKAARO C[N@H+](Cc1ccccc1NC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCC1)C1CCCCC1 ZINC000003296939 194270778 /nfs/dbraw/zinc/27/07/78/194270778.db2.gz KMWGUZQTMAJMLF-UHFFFAOYSA-N 1 0 458.606 5.140 50 0 JKAARO CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC[C@H](O)C[NH+]3CCCCCC3)cc21 ZINC000003628242 194343281 /nfs/dbraw/zinc/34/32/81/194343281.db2.gz ILLZANSUCOVAMF-HSZRJFAPSA-N 1 0 464.606 5.040 50 0 JKAARO CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC[C@@H](O)C[NH+]3CCCCCC3)cc21 ZINC000003628246 194343289 /nfs/dbraw/zinc/34/32/89/194343289.db2.gz ILLZANSUCOVAMF-QHCPKHFHSA-N 1 0 464.606 5.040 50 0 JKAARO Cc1ccc(CN2c3ccccc3O/C(=C/c3ccc(C(=O)NCCC[NH+]4CCCC4)cc3)C2=O)cc1 ZINC000003586389 194339722 /nfs/dbraw/zinc/33/97/22/194339722.db2.gz CCWBHGXRQDVLIU-XHLNEMQHSA-N 1 0 495.623 5.177 50 0 JKAARO COc1ccc(Nc2c3cc(NC(=O)/C=C/c4sccc4C)ccc3[nH+]c3c2CCCC3)cc1OC ZINC000003646155 194348561 /nfs/dbraw/zinc/34/85/61/194348561.db2.gz ICKOCZXJBPOJBD-OUKQBFOZSA-N 1 0 499.636 6.896 50 0 JKAARO COc1ccccc1Nc1c2cc(NC(=O)/C=C/c3cccs3)ccc2[nH+]c2c1CCCC2 ZINC000003646213 194348818 /nfs/dbraw/zinc/34/88/18/194348818.db2.gz USBOEPRGRUBQSR-FYWRMAATSA-N 1 0 455.583 6.579 50 0 JKAARO COc1cc(Cl)c(C)cc1NC(=S)N(CCC[N@@H+]1CCC[C@@H](C)C1)Cc1ccco1 ZINC000003665682 194356505 /nfs/dbraw/zinc/35/65/05/194356505.db2.gz QYSXPJBZPDXXLF-QGZVFWFLSA-N 1 0 450.048 5.571 50 0 JKAARO COc1ccc(C[NH+](CCc2ccccc2)Cc2ccc(OC)c3ccccc23)c2ccccc12 ZINC000008440069 194448260 /nfs/dbraw/zinc/44/82/60/194448260.db2.gz BBUZOESHJVOFHK-UHFFFAOYSA-N 1 0 461.605 7.255 50 0 JKAARO CC(C)[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccc(Cl)cc3)=NN12 ZINC000009013027 194504657 /nfs/dbraw/zinc/50/46/57/194504657.db2.gz MNMNQILLNNPKTO-OAQYLSRUSA-N 1 0 474.830 5.847 50 0 JKAARO Cc1cccc(NC(=O)N(Cc2ccc3c(c2)OCO3)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000009151150 194566813 /nfs/dbraw/zinc/56/68/13/194566813.db2.gz TYPSVFCZVBCADJ-UHFFFAOYSA-N 1 0 457.574 5.422 50 0 JKAARO Cc1ccc(C)c(N2CC[NH+](CCCNC(=O)c3ccc(N4CCc5ccccc54)s3)CC2)c1 ZINC000009229182 194617253 /nfs/dbraw/zinc/61/72/53/194617253.db2.gz GKPHXNHGIORSPA-UHFFFAOYSA-N 1 0 474.674 5.001 50 0 JKAARO CC[NH+](CC)CCNc1nc(SC)nc2c1sc1nc(-c3ccco3)c3c(c12)CCC3 ZINC000009309268 194681261 /nfs/dbraw/zinc/68/12/61/194681261.db2.gz GGDJOZSBSSWWKC-UHFFFAOYSA-N 1 0 453.637 5.464 50 0 JKAARO CC[N@H+](CCCNC(=O)c1[nH]c2cc(OC)ccc2c1Sc1ccccc1)Cc1ccccc1 ZINC000009288373 194663465 /nfs/dbraw/zinc/66/34/65/194663465.db2.gz JNVJHXWTNRDRTO-UHFFFAOYSA-N 1 0 473.642 5.970 50 0 JKAARO COc1ccc(-c2cn3c4ccc(C(=O)NCCC[N@H+]5C[C@H](C)C[C@H](C)C5)cc4sc3n2)cc1 ZINC000009406436 194746985 /nfs/dbraw/zinc/74/69/85/194746985.db2.gz RUDJHFALWDFSTP-KDURUIRLSA-N 1 0 476.646 5.322 50 0 JKAARO CCC[NH+](CCC)CCNC(=O)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1 ZINC000009433518 194779497 /nfs/dbraw/zinc/77/94/97/194779497.db2.gz IHQWZMYXXNKXQB-RPBOFIJWSA-N 1 0 467.679 5.210 50 0 JKAARO COc1ccc(-c2cn3c4ccc(C(=O)NCCC[NH+]5C[C@@H](C)C[C@H](C)C5)cc4sc3n2)cc1 ZINC000009406437 194747015 /nfs/dbraw/zinc/74/70/15/194747015.db2.gz RUDJHFALWDFSTP-OALUTQOASA-N 1 0 476.646 5.322 50 0 JKAARO CCOc1ccc(-c2cn3c4ccc(C(=O)NCCC[N@@H+]5CCCC[C@@H]5C)cc4sc3n2)cc1 ZINC000009406633 194747149 /nfs/dbraw/zinc/74/71/49/194747149.db2.gz MRZYAWVJWSYLMZ-IBGZPJMESA-N 1 0 476.646 5.609 50 0 JKAARO Cc1cc2c(-c3ccccc3)c(-c3ccccc3)n(C[C@@H](O)C[NH2+]C[C@@H]3CCCO3)c2c(C)c1 ZINC000009601964 194804748 /nfs/dbraw/zinc/80/47/48/194804748.db2.gz GIZJJZDVTCIDDL-UIOOFZCWSA-N 1 0 454.614 5.722 50 0 JKAARO CCn1c2ccccc2c2sc(C(=O)NCC3CC[NH+](Cc4cccc(C)c4)CC3)cc2c1=O ZINC000009611129 194815682 /nfs/dbraw/zinc/81/56/82/194815682.db2.gz CKPTUAVNJSULGZ-UHFFFAOYSA-N 1 0 473.642 5.187 50 0 JKAARO Cc1ccc(NC(=O)CSc2ccccc2C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000009766885 194951160 /nfs/dbraw/zinc/95/11/60/194951160.db2.gz QPGWCVBEAKJPHW-QFIPXVFZSA-N 1 0 479.671 5.354 50 0 JKAARO COc1ccc(Br)cc1CN1CCC([N@H+](CCc2ccccc2)Cc2ccccc2)CC1 ZINC000009933426 195025206 /nfs/dbraw/zinc/02/52/06/195025206.db2.gz JTZSNASGUMSEQD-UHFFFAOYSA-N 1 0 493.489 6.167 50 0 JKAARO CCn1c(C[NH+]2CCCCCC2)nc2cc(NC(=O)c3cccc(Br)c3)ccc21 ZINC000009942079 195029610 /nfs/dbraw/zinc/02/96/10/195029610.db2.gz BUFVQIQSZJPQCC-UHFFFAOYSA-N 1 0 455.400 5.447 50 0 JKAARO CC(C)n1c(C[NH+]2CCCCCC2)nc2cc(NC(=O)COc3ccccc3Cl)ccc21 ZINC000009942813 195030173 /nfs/dbraw/zinc/03/01/73/195030173.db2.gz WZMQVROUNABQFQ-UHFFFAOYSA-N 1 0 455.002 5.664 50 0 JKAARO COc1ccc(C(=O)Nc2ccc3c(c2)nc(C[NH+]2CCCCCC2)n3C(C)C)cc1OC ZINC000009959493 195038097 /nfs/dbraw/zinc/03/80/97/195038097.db2.gz RCYOOKRILVDUGW-UHFFFAOYSA-N 1 0 450.583 5.263 50 0 JKAARO COc1ccc([C@@H](CNC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[NH+]2CCCCC2)cc1 ZINC000012644192 195073120 /nfs/dbraw/zinc/07/31/20/195073120.db2.gz KJMNZXIHCREPBZ-HXUWFJFHSA-N 1 0 474.445 5.690 50 0 JKAARO O=C(Nc1nc2ccccc2n1CC[NH+]1CCCCC1)c1cccc(COCC(F)(F)C(F)F)c1 ZINC000012649571 195075274 /nfs/dbraw/zinc/07/52/74/195075274.db2.gz QOBQPYNEJDREMX-UHFFFAOYSA-N 1 0 492.517 5.192 50 0 JKAARO COc1cc(C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C(C)C)ccc1OCc1csc(C)n1 ZINC000012691068 195088465 /nfs/dbraw/zinc/08/84/65/195088465.db2.gz JWAHACDTHZEMPQ-RUZDIDTESA-N 1 0 454.592 5.297 50 0 JKAARO O=C(Nc1ccnn1C1CC[NH+](Cc2ccc([C@@H]3CCCCO3)s2)CC1)c1ccccc1 ZINC000012705409 195092675 /nfs/dbraw/zinc/09/26/75/195092675.db2.gz YVYPEQACUBDWAA-QFIPXVFZSA-N 1 0 450.608 5.276 50 0 JKAARO COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000012747274 195103116 /nfs/dbraw/zinc/10/31/16/195103116.db2.gz RIWBIQXCTFHXDY-AREMUKBSSA-N 1 0 496.611 5.123 50 0 JKAARO CC[NH+](CC)CCCn1c(SCC(=O)Nc2c(C)cc(C)cc2Cl)nc2ccccc2c1=O ZINC000012782032 195125064 /nfs/dbraw/zinc/12/50/64/195125064.db2.gz PUALGPSCJDRSRL-UHFFFAOYSA-N 1 0 487.069 5.129 50 0 JKAARO COc1ccc(NC(=O)c2ccc(NC(=O)C[NH2+][C@H](C)c3ccc4ccccc4c3)cc2)cc1 ZINC000012817329 195147612 /nfs/dbraw/zinc/14/76/12/195147612.db2.gz GVWQKZFVRLDTLT-LJQANCHMSA-N 1 0 453.542 5.390 50 0 JKAARO O=C1c2ccccc2/C(=C\NC[C@@H](c2ccco2)[NH+]2CCCCCC2)C(=O)N1c1cccc(Cl)c1 ZINC000020675764 195200455 /nfs/dbraw/zinc/20/04/55/195200455.db2.gz IHXTVRAGZVAEAN-GRBCXPRBSA-N 1 0 490.003 5.668 50 0 JKAARO CCn1cc(CN(CCC[NH+](CC)CC)C(=S)Nc2cccc(SC)c2)c2ccccc21 ZINC000020676675 195201572 /nfs/dbraw/zinc/20/15/72/195201572.db2.gz ZGQVCMHKLBVXRU-UHFFFAOYSA-N 1 0 468.736 6.314 50 0 JKAARO Cc1ccc(-c2cc(C(=O)NCCC[NH+]3CCC(Cc4ccccc4)CC3)c3ccccc3n2)cc1C ZINC000020682699 195204521 /nfs/dbraw/zinc/20/45/21/195204521.db2.gz TZDIEJXIFPJJJZ-UHFFFAOYSA-N 1 0 491.679 6.593 50 0 JKAARO CC(C)C[NH+](CCNC(=O)c1ccc(/C=C2/Sc3ccccc3NC2=O)cc1)CC(C)C ZINC000020728531 195208959 /nfs/dbraw/zinc/20/89/59/195208959.db2.gz XQWJRLVCVORNKQ-BUVRLJJBSA-N 1 0 451.636 5.116 50 0 JKAARO CCCC[N@H+](C)CCNC(=O)c1ccc(/C=C2/Oc3ccccc3N(Cc3ccc(C)cc3)C2=O)cc1 ZINC000020732199 195210952 /nfs/dbraw/zinc/21/09/52/195210952.db2.gz KCEFHLXIXUPNRJ-XHLNEMQHSA-N 1 0 497.639 5.423 50 0 JKAARO Cc1cccc(NC(=S)N(CCC[NH+]2CCCC2)Cc2cccn2Cc2ccc(Cl)cc2)c1C ZINC000020733431 195211414 /nfs/dbraw/zinc/21/14/14/195211414.db2.gz HQVUEPQNQBOETO-UHFFFAOYSA-N 1 0 495.136 6.492 50 0 JKAARO Cc1cccc(/C=C2/Sc3ccc(C(=O)N4CC[NH+](C5CCCCC5)CC4)cc3N(C)C2=O)c1 ZINC000020734505 195212066 /nfs/dbraw/zinc/21/20/66/195212066.db2.gz UMDKSGMKNSDOAX-NLRVBDNBSA-N 1 0 475.658 5.195 50 0 JKAARO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2ccc3c(c2)NC(=O)/C(=C\c2cccc(Cl)c2)S3)C1 ZINC000020735034 195212139 /nfs/dbraw/zinc/21/21/39/195212139.db2.gz PMWMSIDSJXMRIK-HGKIJXOGSA-N 1 0 484.065 5.523 50 0 JKAARO Cc1ccc(-n2ncc3c2ncnc3N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000020662172 195195973 /nfs/dbraw/zinc/19/59/73/195195973.db2.gz NFUXECAJVUIVSY-UHFFFAOYSA-N 1 0 460.585 5.036 50 0 JKAARO CC[NH+](CC)CCNC(=O)c1ccc(/C=C2/Sc3ccccc3N(Cc3ccccc3C)C2=O)cc1 ZINC000020737083 195213391 /nfs/dbraw/zinc/21/33/91/195213391.db2.gz LXZSUNALBYOWBJ-VFCFBJKWSA-N 1 0 499.680 5.747 50 0 JKAARO CC[C@H](C)[N@H+](CCNC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1)S2)C1CCCCC1 ZINC000020737407 195213663 /nfs/dbraw/zinc/21/36/63/195213663.db2.gz JLQKEALKFLRFTM-XGDNCFSYSA-N 1 0 477.674 5.935 50 0 JKAARO O=C(CCN1CC[NH+](C2c3ccccc3-c3ccccc32)CC1)Nc1cccc(C(F)(F)F)c1 ZINC000020766766 195222138 /nfs/dbraw/zinc/22/21/38/195222138.db2.gz FXNXERVKTGHSOQ-UHFFFAOYSA-N 1 0 465.519 5.422 50 0 JKAARO CCOc1cc(C[N@@H+]2CCC[C@H](c3nc(-c4ccncc4)ncc3-c3ccccc3)C2)ccc1OC ZINC000020778863 195224161 /nfs/dbraw/zinc/22/41/61/195224161.db2.gz UKJAHWDQKHJYSV-VWLOTQADSA-N 1 0 480.612 5.993 50 0 JKAARO CCC[NH+](CCC)CCCNC(=O)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1 ZINC000020904455 195244897 /nfs/dbraw/zinc/24/48/97/195244897.db2.gz FCCZGVFSSAHWDO-IZZNHLLZSA-N 1 0 481.706 5.600 50 0 JKAARO COc1cccc(-n2cc(C(=O)Nc3ccc(C[NH+]4CCC(C)CC4)cc3)c3ccccc3c2=O)c1 ZINC000020904536 195244984 /nfs/dbraw/zinc/24/49/84/195244984.db2.gz COLKNUMMWRNHQF-UHFFFAOYSA-N 1 0 481.596 5.484 50 0 JKAARO Cc1ccccc1-c1cnc(-c2ccncc2)nc1[C@H]1CCC[N@H+](Cc2coc3ccccc3c2=O)C1 ZINC000020909553 195245981 /nfs/dbraw/zinc/24/59/81/195245981.db2.gz VKWFLGAMXPDERA-QHCPKHFHSA-N 1 0 488.591 6.000 50 0 JKAARO CCCCn1cnc2sc3c(c2c1=O)CC[C@@H]([NH2+]Cc1ccc(C(F)(F)F)cc1F)C3 ZINC000020920566 195247617 /nfs/dbraw/zinc/24/76/17/195247617.db2.gz WAEJKSWQKMLHFI-OAHLLOKOSA-N 1 0 453.505 5.063 50 0 JKAARO CCCCn1cnc2sc3c(c2c1=O)CC[C@H]([NH2+]Cc1ccc(C(F)(F)F)cc1F)C3 ZINC000020920559 195247703 /nfs/dbraw/zinc/24/77/03/195247703.db2.gz WAEJKSWQKMLHFI-HNNXBMFYSA-N 1 0 453.505 5.063 50 0 JKAARO CCCn1c(CN2CC[NH+](Cc3ccccc3)CC2)nc2cc(NC(=O)c3cccc(C)c3)ccc21 ZINC000020893107 195237935 /nfs/dbraw/zinc/23/79/35/195237935.db2.gz UFGKRWDJZSGOAO-UHFFFAOYSA-N 1 0 481.644 5.325 50 0 JKAARO O=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)C1=Cc2sc3c(c2CS1)CCCC3 ZINC000020931360 195251478 /nfs/dbraw/zinc/25/14/78/195251478.db2.gz DKUALUKTDHQPAZ-UHFFFAOYSA-N 1 0 488.122 5.197 50 0 JKAARO O=C(Cc1ccc(NC(=O)N2CCCCc3ccccc32)cc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000020988241 195261381 /nfs/dbraw/zinc/26/13/81/195261381.db2.gz BNQLHRFRHZZLIU-UHFFFAOYSA-N 1 0 496.655 5.385 50 0 JKAARO COc1ccc(F)c(C[N@@H+]2CCC[C@@H](c3nc(-c4ccncc4)ncc3-c3ccccc3C)C2)c1 ZINC000020996918 195264798 /nfs/dbraw/zinc/26/47/98/195264798.db2.gz YWYAWGDLZBVAFA-JOCHJYFZSA-N 1 0 468.576 6.041 50 0 JKAARO COc1ccc(-c2nc3ccccc3c(NCC3CC[NH+](Cc4cccc(Cl)c4)CC3)n2)cc1 ZINC000021043062 195271041 /nfs/dbraw/zinc/27/10/41/195271041.db2.gz IXARCTAUBFFDJW-UHFFFAOYSA-N 1 0 473.020 6.283 50 0 JKAARO Cc1ccc(C[NH+]2CCC(CNC(=O)c3cc(OCc4ccccc4)nc4ccccc43)CC2)cc1 ZINC000021094441 195275395 /nfs/dbraw/zinc/27/53/95/195275395.db2.gz MRCPVKCUJREMJD-UHFFFAOYSA-N 1 0 479.624 5.764 50 0 JKAARO Cc1nn(-c2ccccc2)c2sc(C(=O)NCC3CC[NH+](Cc4ccccc4C)CC3)cc12 ZINC000021103634 195276744 /nfs/dbraw/zinc/27/67/44/195276744.db2.gz ATXSFATXFWDWRS-UHFFFAOYSA-N 1 0 458.631 5.346 50 0 JKAARO Cc1ccc(Cn2c(C[NH+]3CCC(C(=O)NCCCc4ccccc4)CC3)cc3ccccc32)cc1 ZINC000021116228 195278536 /nfs/dbraw/zinc/27/85/36/195278536.db2.gz SJWJTSTVEVXLQC-UHFFFAOYSA-N 1 0 479.668 5.959 50 0 JKAARO CCOc1ccccc1CNC(=O)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccc(C)cc2)CC1 ZINC000021116335 195278903 /nfs/dbraw/zinc/27/89/03/195278903.db2.gz ACVWYQNMXIAOBG-UHFFFAOYSA-N 1 0 495.667 5.925 50 0 JKAARO Cc1ccc(Cn2c(C[NH+]3CCC(C(=O)N[C@H]4CCCc5ccccc54)CC3)cc3ccccc32)cc1 ZINC000021116275 195278911 /nfs/dbraw/zinc/27/89/11/195278911.db2.gz JSSCKHZJDKNNSF-HKBQPEDESA-N 1 0 491.679 6.404 50 0 JKAARO COc1ccccc1CNC(=O)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccc(C)cc2)CC1 ZINC000021116266 195278932 /nfs/dbraw/zinc/27/89/32/195278932.db2.gz NAZHRYBPUNZFNT-UHFFFAOYSA-N 1 0 481.640 5.535 50 0 JKAARO Cc1cc(N2CC[NH+](Cc3ccccc3)CC2)n2nc(C(F)(F)F)c(-c3ccccc3Cl)c2n1 ZINC000021150439 195282395 /nfs/dbraw/zinc/28/23/95/195282395.db2.gz NFFHAXOIIXTTAE-UHFFFAOYSA-N 1 0 485.941 5.699 50 0 JKAARO Cc1cc(N2CC[NH+](C3CCCCC3)CC2)n2nc(C(F)(F)F)c(-c3ccc(Cl)cc3)c2n1 ZINC000021150356 195282427 /nfs/dbraw/zinc/28/24/27/195282427.db2.gz UVWFSBIOESMSLW-UHFFFAOYSA-N 1 0 477.962 5.832 50 0 JKAARO CCCC[N@H+](C)CCCNC(=O)C1CCN(c2nc3ccccc3n2Cc2cc(C)ccc2C)CC1 ZINC000021159771 195286592 /nfs/dbraw/zinc/28/65/92/195286592.db2.gz PBSIHOQVSXAGPU-UHFFFAOYSA-N 1 0 489.708 5.156 50 0 JKAARO Cc1ccc2[nH]c(C(=O)N3CC[NH+](C4CCCCC4)CC3)c(NC(=O)c3cccc(C)c3)c2c1 ZINC000021362233 195299189 /nfs/dbraw/zinc/29/91/89/195299189.db2.gz DERNBJJLPYOAFC-UHFFFAOYSA-N 1 0 458.606 5.128 50 0 JKAARO Cc1oc(-c2ccc(C(=O)N3CCC([NH+]4CCCCC4)CC3)cc2)nc1COc1ccc(C)cc1 ZINC000021530268 195308633 /nfs/dbraw/zinc/30/86/33/195308633.db2.gz LXNRJZBGAZVJRV-UHFFFAOYSA-N 1 0 473.617 5.628 50 0 JKAARO CC(C)[N@H+](CCNC(=O)c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2)Cc1ccccc1 ZINC000021915483 195332000 /nfs/dbraw/zinc/33/20/00/195332000.db2.gz WYKSJZAIWVCAQP-UHFFFAOYSA-N 1 0 484.644 5.164 50 0 JKAARO Cc1ccc(C[N@@H+]2CC[C@H](CNC(=O)c3c4c(nc5ccccc53)C(=O)N(C3CCCCC3)C4)C2)cc1 ZINC000021915493 195332066 /nfs/dbraw/zinc/33/20/66/195332066.db2.gz RSVDXUBXXIFWEV-HSZRJFAPSA-N 1 0 496.655 5.084 50 0 JKAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(NC(=O)N2CCCCc3ccccc32)cc1 ZINC000021916054 195332370 /nfs/dbraw/zinc/33/23/70/195332370.db2.gz PIOLVHCWQGJORN-VWLOTQADSA-N 1 0 462.638 5.446 50 0 JKAARO Clc1ccc(-c2csc3ncnc(NCCC[NH+]4CCN(c5ccccc5)CC4)c23)cc1 ZINC000021933190 195335494 /nfs/dbraw/zinc/33/54/94/195335494.db2.gz WLOOYMGZPMKBIO-UHFFFAOYSA-N 1 0 464.038 5.636 50 0 JKAARO Cc1cccc(N2CC[N@@H+](CCCNC(=O)c3cc(-c4cccnc4)nc4ccc(C)cc43)C[C@@H]2C)c1 ZINC000021934842 195335789 /nfs/dbraw/zinc/33/57/89/195335789.db2.gz YJDJMRALABLPBK-DEOSSOPVSA-N 1 0 493.655 5.244 50 0 JKAARO Cc1ccc(C)c(C[NH+]2CCC(CNC(=O)c3cc(-c4ccccn4)nc4ccccc43)CC2)c1 ZINC000021934257 195335910 /nfs/dbraw/zinc/33/59/10/195335910.db2.gz SHXDVXVHAYNGQK-UHFFFAOYSA-N 1 0 464.613 5.556 50 0 JKAARO Cc1ccccc1C[NH+]1CCC(CNC(=O)c2cc(-c3ccccn3)nc3ccccc32)CC1 ZINC000021934180 195335946 /nfs/dbraw/zinc/33/59/46/195335946.db2.gz TVSPOZVDBOZRDU-UHFFFAOYSA-N 1 0 450.586 5.247 50 0 JKAARO O=C(NCCC[NH+]1CCC(Cc2ccccc2)CC1)c1cc(-c2ccccn2)nc2ccccc21 ZINC000021934168 195336017 /nfs/dbraw/zinc/33/60/17/195336017.db2.gz GGJXESOLIWROHQ-UHFFFAOYSA-N 1 0 464.613 5.371 50 0 JKAARO Cc1ccc2nc(-c3cccnc3)cc(C(=O)NCC[N@H+](CCc3ccccc3)Cc3ccco3)c2c1 ZINC000021934855 195336280 /nfs/dbraw/zinc/33/62/80/195336280.db2.gz XKGBDAALVGICJU-UHFFFAOYSA-N 1 0 490.607 5.673 50 0 JKAARO Cc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)c3cc(-c4cccnc4)nc4ccc(C)cc43)C2)cc1 ZINC000021934846 195336313 /nfs/dbraw/zinc/33/63/13/195336313.db2.gz NMIFKSKAGQEEOI-QHCPKHFHSA-N 1 0 450.586 5.166 50 0 JKAARO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)CCc2nc(-c3ccc(C(C)C)cc3)no2)CC1 ZINC000058557871 195380257 /nfs/dbraw/zinc/38/02/57/195380257.db2.gz SHRKGYLXTVODIA-UHFFFAOYSA-N 1 0 482.028 5.227 50 0 JKAARO COc1ccc(CCC2CC[NH+](Cn3ccc(=O)c4cccc(Br)c43)CC2)cc1 ZINC000058305224 195376329 /nfs/dbraw/zinc/37/63/29/195376329.db2.gz DTMVEWBLOZACSK-UHFFFAOYSA-N 1 0 455.396 5.075 50 0 JKAARO Cc1noc(CSc2ccccc2C(=O)NCc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)n1 ZINC000059057852 195387080 /nfs/dbraw/zinc/38/70/80/195387080.db2.gz LZDVQSGVOZIZBP-KDURUIRLSA-N 1 0 464.635 5.078 50 0 JKAARO Cc1noc(CSc2ccccc2C(=O)NCc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)n1 ZINC000059057855 195387126 /nfs/dbraw/zinc/38/71/26/195387126.db2.gz LZDVQSGVOZIZBP-RTBURBONSA-N 1 0 464.635 5.078 50 0 JKAARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH+]4CCN(c5cccc(C(F)(F)F)c5)CC4)[C@H]3C=C12 ZINC000059415251 195399420 /nfs/dbraw/zinc/39/94/20/195399420.db2.gz VLZRPLWEPPNQPC-GVSOOPAKSA-N 1 0 462.556 5.142 50 0 biogenic JKAARO CCOc1ccc([C@H](c2cc(CC)sc2NC(=O)c2ccco2)N2CC[NH+](CC)CC2)cc1 ZINC000038546545 128754380 /nfs/dbraw/zinc/75/43/80/128754380.db2.gz IZQWLPLKXOJREE-XMMPIXPASA-N 1 0 467.635 5.281 50 0 JKAARO COc1ccc(CCNC(=O)[C@H]2C[C@H](c3ccc(F)c(C)c3)C[N@H+](Cc3ccccc3Cl)C2)cc1 ZINC000096247512 130002023 /nfs/dbraw/zinc/00/20/23/130002023.db2.gz AVHQZHQVZOMFAL-DQEYMECFSA-N 1 0 495.038 5.761 50 0 JKAARO COc1ccc(CCNC(=O)[C@@H]2C[C@H](c3ccc(F)c(C)c3)C[N@H+](Cc3ccccc3Cl)C2)cc1 ZINC000096247514 130002471 /nfs/dbraw/zinc/00/24/71/130002471.db2.gz AVHQZHQVZOMFAL-LOSJGSFVSA-N 1 0 495.038 5.761 50 0 JKAARO O=C(CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)N1c2ccccc2CCc2ccccc21 ZINC000096265975 130003824 /nfs/dbraw/zinc/00/38/24/130003824.db2.gz FBAIPQCDWWZLJL-UHFFFAOYSA-N 1 0 487.647 5.857 50 0 JKAARO COc1ccc([C@@H](CC(=O)NCC[NH+]2CCCC2)c2cn(Cc3ccc(C)cc3)c3ccccc23)cc1 ZINC000096275474 130011750 /nfs/dbraw/zinc/01/17/50/130011750.db2.gz AGUUAIKHLSCGPF-GDLZYMKVSA-N 1 0 495.667 5.741 50 0 JKAARO CC(C)(C)OC[C@H](O)C[N@@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146002 518878175 /nfs/dbraw/zinc/87/81/75/518878175.db2.gz MHCBUJYEERBCBT-YADHBBJMSA-N 1 0 465.421 5.165 50 0 JKAARO CC(C)(C)OC[C@H](O)C[N@@H+](Cc1ccccc1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000036146083 518878320 /nfs/dbraw/zinc/87/83/20/518878320.db2.gz KBTBSKVYDLDWMJ-UXHICEINSA-N 1 0 465.421 5.165 50 0 JKAARO CC(C)(C)OC[C@H](O)C[N@@H+](Cc1cccc(C(F)(F)F)c1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146148 518878756 /nfs/dbraw/zinc/87/87/56/518878756.db2.gz CNSZBAYEQWELNK-YADHBBJMSA-N 1 0 482.518 5.016 50 0 JKAARO CC(C)(C)OC[C@@H](O)C[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000036146375 518879195 /nfs/dbraw/zinc/87/91/95/518879195.db2.gz SWNZNXGTFRGEGF-PMACEKPBSA-N 1 0 483.411 5.304 50 0 JKAARO CC(C)(C)c1ccc2oc(=O)cc(CN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c2c1 ZINC000020479764 519053230 /nfs/dbraw/zinc/05/32/30/519053230.db2.gz DNINNVOTBULGEV-UHFFFAOYSA-N 1 0 466.625 5.998 50 0 JKAARO CC(C)C[C@@]1(C2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)NC(=O)N(CCc2cccs2)C1=O ZINC000012244517 519287695 /nfs/dbraw/zinc/28/76/95/519287695.db2.gz NXILICFVSBOQGV-MHZLTWQESA-N 1 0 478.662 5.021 50 0 JKAARO CC(C)[NH+]1CCC(N2CCOc3ccc([C@@H](O)C(c4ccccc4)c4ccccc4)cc3C2)CC1 ZINC000014997459 519670524 /nfs/dbraw/zinc/67/05/24/519670524.db2.gz JDWGVWGJOVKQBO-WJOKGBTCSA-N 1 0 470.657 5.619 50 0 JKAARO CC(C)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)C[C@H](O)COC(C)C ZINC000036306630 519717772 /nfs/dbraw/zinc/71/77/72/519717772.db2.gz YCNZLQDTXWZJBI-QFIPXVFZSA-N 1 0 469.601 5.262 50 0 JKAARO CC(C)C[N@H+](Cc1ccc(C(O)(c2cccc(F)c2)c2cccc(F)c2)o1)Cc1cccc(F)c1 ZINC000036203065 519718243 /nfs/dbraw/zinc/71/82/43/519718243.db2.gz WLBFNSAIXVJSOE-UHFFFAOYSA-N 1 0 479.542 6.639 50 0 JKAARO CC(C)COC[C@@H](O)C[N@@H+](Cc1ccccc1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000036146081 519755690 /nfs/dbraw/zinc/75/56/90/519755690.db2.gz UKEDXPVJNPBQBJ-SFTDATJTSA-N 1 0 465.421 5.022 50 0 JKAARO CC(C)COC[C@@H](O)C[N@@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146001 519755881 /nfs/dbraw/zinc/75/58/81/519755881.db2.gz OYUIYUCASGMLEV-GOTSBHOMSA-N 1 0 465.421 5.022 50 0 JKAARO CC(C)COC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(Cl)cc1)CC1CC1 ZINC000036305219 519755982 /nfs/dbraw/zinc/75/59/82/519755982.db2.gz WGQFYZYJBSUQGI-DEOSSOPVSA-N 1 0 498.067 5.778 50 0 JKAARO CC(C)COC[C@H](O)C[N@@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036145998 519757352 /nfs/dbraw/zinc/75/73/52/519757352.db2.gz OYUIYUCASGMLEV-PKTZIBPZSA-N 1 0 465.421 5.022 50 0 JKAARO CC(C)COC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C(C)C ZINC000036307567 519757372 /nfs/dbraw/zinc/75/73/72/519757372.db2.gz PMFUNXPCHRJACX-HSZRJFAPSA-N 1 0 469.601 5.262 50 0 JKAARO CC(C)COC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(Cl)cc1)CC1CC1 ZINC000036305215 519757732 /nfs/dbraw/zinc/75/77/32/519757732.db2.gz WGQFYZYJBSUQGI-XMMPIXPASA-N 1 0 498.067 5.778 50 0 JKAARO CC(C)OC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)C(C)C ZINC000036306773 519773902 /nfs/dbraw/zinc/77/39/02/519773902.db2.gz UGAMHCAVZQSIQY-OAQYLSRUSA-N 1 0 455.574 5.015 50 0 JKAARO CCC[NH+]1CCC(N(C(=O)c2ccccc2Cl)c2ccc3[nH]c(C(C)(C)C)cc3c2)CC1 ZINC000016080052 519843197 /nfs/dbraw/zinc/84/31/97/519843197.db2.gz NGRYKSMQZVNODM-UHFFFAOYSA-N 1 0 452.042 6.640 50 0 JKAARO CCC1=Nc2cc(C(=O)NCC[NH+](CC(C)C)CC(C)C)ccc2Sc2ccc(C)cc21 ZINC000020178963 519849812 /nfs/dbraw/zinc/84/98/12/519849812.db2.gz LKTQAUKZPYRRAG-UHFFFAOYSA-N 1 0 451.680 6.334 50 0 JKAARO CCCC(=O)OC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)CC1CC1 ZINC000036304930 519881412 /nfs/dbraw/zinc/88/14/12/519881412.db2.gz FUACBYCEQYVUGZ-RUZDIDTESA-N 1 0 491.632 5.198 50 0 JKAARO CCN(C(=O)C1CCOCC1)[C@@H](Cc1ccccc1)C1CC[NH+](CC[C@@H](C)c2ccc(C)o2)CC1 ZINC000014882404 519901494 /nfs/dbraw/zinc/90/14/94/519901494.db2.gz GVCQVUFNIMYTSM-LXFBAYGMSA-N 1 0 480.693 5.680 50 0 JKAARO CCOC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)CC1CC1 ZINC000036305069 520095419 /nfs/dbraw/zinc/09/54/19/520095419.db2.gz OXDQOFUIEBSBMZ-NRFANRHFSA-N 1 0 470.013 5.142 50 0 JKAARO CCN(C(=S)Nc1ccc2nc(N3CC[NH+](CC)CC3)cc(C)c2c1)c1ccc(F)cc1 ZINC000020153610 520131382 /nfs/dbraw/zinc/13/13/82/520131382.db2.gz BGXPSGNQPUYAOG-UHFFFAOYSA-N 1 0 451.615 5.048 50 0 JKAARO CCOC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)CC(C)C ZINC000036303996 520155002 /nfs/dbraw/zinc/15/50/02/520155002.db2.gz ZWDLSGGYLUFVHU-JOCHJYFZSA-N 1 0 473.564 5.107 50 0 JKAARO CCN(CC)C(=O)C1CC[NH+](C2CCN(c3ccc(NC(=O)c4ccc(C)cc4C)cc3)CC2)CC1 ZINC000012470734 520441348 /nfs/dbraw/zinc/44/13/48/520441348.db2.gz HCMXPJOSTXKAHB-UHFFFAOYSA-N 1 0 490.692 5.105 50 0 JKAARO CCCC[N@@H+](Cc1ccccc1)Cc1ccc(C(=O)NCc2cc3ccccc3s2)c(=O)[nH]1 ZINC000014992668 520544120 /nfs/dbraw/zinc/54/41/20/520544120.db2.gz DIIJJTOOJOJCBF-UHFFFAOYSA-N 1 0 459.615 5.322 50 0 JKAARO CC[NH+](CC)CCC[C@@H](C)Nc1nc(/C=C/c2ccc(Cl)cc2Cl)nc2ccccc21 ZINC000033707579 520631201 /nfs/dbraw/zinc/63/12/01/520631201.db2.gz AEZGQJCNTNWZDV-FDPSAONLSA-N 1 0 457.449 7.029 50 0 JKAARO CC[NH+](CC)CCCN1C(=S)N=NC1c1ccc(COc2ccc(Cl)cc2Cl)o1 ZINC000033580317 520638846 /nfs/dbraw/zinc/63/88/46/520638846.db2.gz LKUHUHXLJCGCBT-UHFFFAOYSA-N 1 0 455.411 5.445 50 0 JKAARO CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)c2cc3c(s2)-c2ccccc2OC3)cc1 ZINC000008604436 520691915 /nfs/dbraw/zinc/69/19/15/520691915.db2.gz MKVVCCLWFPHCKS-UHFFFAOYSA-N 1 0 450.560 5.058 50 0 JKAARO CCOc1cc(C[NH+]2CCC([C@@H](Cc3ccccc3)N(C)C(=O)c3cccs3)CC2)ccc1OC ZINC000014882561 520697876 /nfs/dbraw/zinc/69/78/76/520697876.db2.gz KXJXKIHFSKCGCC-RUZDIDTESA-N 1 0 492.685 5.751 50 0 JKAARO CCOc1cc(C[NH2+]C23CC4CC(CC(C4)C2)C3)cc(Br)c1OCC(=O)NC(C)(C)C ZINC000004124878 520708868 /nfs/dbraw/zinc/70/88/68/520708868.db2.gz QTBBQGIDOXRZAD-UHFFFAOYSA-N 1 0 493.486 5.200 50 0 JKAARO CC[NH+](CC)Cc1cc(-c2ccc3c(c2)OCO3)ccc1OCC(=O)Nc1cccc(F)c1 ZINC000014959196 520741639 /nfs/dbraw/zinc/74/16/39/520741639.db2.gz YQMSUPSWPVWEAR-UHFFFAOYSA-N 1 0 450.510 5.081 50 0 JKAARO CC[NH+](CC)Cc1ccc(CNC(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)cc1 ZINC000014701605 520747614 /nfs/dbraw/zinc/74/76/14/520747614.db2.gz FPUYSKAISHKDMG-AREMUKBSSA-N 1 0 478.036 5.359 50 0 JKAARO CCC[C@@H](O)C[N@H+](CCC)Cc1c(C)nn(-c2ccc(Cl)cc2)c1Oc1ccccc1OC ZINC000036301867 520798267 /nfs/dbraw/zinc/79/82/67/520798267.db2.gz GADBUFCEOQPMDH-JOCHJYFZSA-N 1 0 472.029 6.008 50 0 JKAARO CC1=NN(c2ccc(C)cc2)C(=O)[C@]12Cc1ccc(Cl)cc1N1CC[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000033428983 520893083 /nfs/dbraw/zinc/89/30/83/520893083.db2.gz MIEOGAKZEZQIJG-XRKRLSELSA-N 1 0 485.031 5.304 50 0 biogenic JKAARO CC1=CC(C)=[NH+]c2cc(C(F)(F)F)ccc2N1CCNc1ncc(C(F)(F)F)cc1Cl ZINC000020405671 520900906 /nfs/dbraw/zinc/90/09/06/520900906.db2.gz VLIFPNSLOWJXJG-UHFFFAOYSA-N 1 0 462.825 6.701 50 0 JKAARO CCN(CC)c1onc(-c2ccccc2)c1C[N@H+](CC(C)C)C[C@H](O)COc1ccccc1 ZINC000036208285 520935403 /nfs/dbraw/zinc/93/54/03/520935403.db2.gz FJEGIAMUGDLRHG-QHCPKHFHSA-N 1 0 451.611 5.086 50 0 JKAARO CC1CC[NH+](CCCN(Cc2cccs2)C(=S)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000020107880 521003673 /nfs/dbraw/zinc/00/36/73/521003673.db2.gz RJSCFCHTKTZOTH-UHFFFAOYSA-N 1 0 455.615 6.088 50 0 JKAARO CCCC[C@@H](CC)C(=O)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](CC)CC1)C1CC1 ZINC000034835604 521012702 /nfs/dbraw/zinc/01/27/02/521012702.db2.gz KTMZOPGVZKKJEN-JOCHJYFZSA-N 1 0 483.676 5.169 50 0 JKAARO CC[N@H+](CCCNC(=O)c1ccc(NC(=O)N2CCCCc3ccccc32)cc1)Cc1ccccc1 ZINC000021538053 521019442 /nfs/dbraw/zinc/01/94/42/521019442.db2.gz IRILIRJRMKBTOO-UHFFFAOYSA-N 1 0 484.644 5.703 50 0 JKAARO CC1CC[NH+](Cc2nnc(-c3cn(CC(=O)Nc4cccc(C(F)(F)F)c4)c4ccccc34)o2)CC1 ZINC000033129351 521026962 /nfs/dbraw/zinc/02/69/62/521026962.db2.gz KBZMQAWOWXVUDF-UHFFFAOYSA-N 1 0 497.521 5.581 50 0 JKAARO CCC(=C(c1ccc(OC)cc1)c1ccc(OC)cc1)c1cn(CCCC[NH+](C)C)c2ccccc12 ZINC000002595886 521058137 /nfs/dbraw/zinc/05/81/37/521058137.db2.gz HMKYGEUBUAGKMQ-UHFFFAOYSA-N 1 0 482.668 7.369 50 0 JKAARO CCC[C@H](O)C[N@H+](Cc1c(CC)nn(-c2ccc(OC)cc2)c1Oc1ccccc1OC)C1CC1 ZINC000036303346 521181430 /nfs/dbraw/zinc/18/14/30/521181430.db2.gz UCMCFJQZOASXSF-QFIPXVFZSA-N 1 0 479.621 5.370 50 0 JKAARO CCC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)CC(C)C ZINC000036304299 521182639 /nfs/dbraw/zinc/18/26/39/521182639.db2.gz MNZDNPVWWDDBLM-QHCPKHFHSA-N 1 0 451.611 5.601 50 0 JKAARO CCC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)CC(C)C ZINC000036305685 521182867 /nfs/dbraw/zinc/18/28/67/521182867.db2.gz UIMSMSAPPFZVCZ-QFIPXVFZSA-N 1 0 451.611 5.507 50 0 JKAARO CCC(=O)OC1=NN(c2ccc(Cl)cc2)/C(=C\C2=[NH+]CCc3cc(OC)c(OC)cc32)S1 ZINC000036055686 521232046 /nfs/dbraw/zinc/23/20/46/521232046.db2.gz ATDGNRPODQACBW-FYJGNVAPSA-N 1 0 471.966 5.021 50 0 JKAARO CCOc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCC[NH+](CC)CC)cc1 ZINC000008834885 521247620 /nfs/dbraw/zinc/24/76/20/521247620.db2.gz VUYKFXGAOAQUKD-HSZRJFAPSA-N 1 0 468.981 5.122 50 0 JKAARO CCOc1ccccc1CNC(=O)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccccc2)CC1 ZINC000008602090 521486803 /nfs/dbraw/zinc/48/68/03/521486803.db2.gz GIHDEFNYYDGSSV-UHFFFAOYSA-N 1 0 481.640 5.617 50 0 JKAARO CCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CC[NH+](Cc1ccc3c(c1)Cc1ccccc1-3)CC2 ZINC000014537111 521527226 /nfs/dbraw/zinc/52/72/26/521527226.db2.gz FSUIZXKBUWAKIH-UHFFFAOYSA-N 1 0 495.623 5.085 50 0 JKAARO CCOC(=O)c1cnc(-c2cccc(C(F)(F)F)c2)nc1N[C@H](C)CCC[NH+](CC)CC ZINC000022670311 521568891 /nfs/dbraw/zinc/56/88/91/521568891.db2.gz ZMQMSERBTWXKBQ-MRXNPFEDSA-N 1 0 452.521 5.262 50 0 JKAARO CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1cccc(Cl)c1)C(c1ccc(C(C)(C)C)cc1)=N2 ZINC000045912780 521584755 /nfs/dbraw/zinc/58/47/55/521584755.db2.gz ZLPRBFVIABZMHK-UHFFFAOYSA-N 1 0 497.108 6.023 50 0 JKAARO CCCn1c(CNc2ccccc2C[N@H+](C)C2CCCCC2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000045521141 521630959 /nfs/dbraw/zinc/63/09/59/521630959.db2.gz RMRLQXVYHXJEJO-UHFFFAOYSA-N 1 0 497.709 5.073 50 0 JKAARO CCC[NH+](CCC)C[C@@H](O)Cn1c2ccc(Br)cc2c2cc(Br)ccc21 ZINC000008626840 521647933 /nfs/dbraw/zinc/64/79/33/521647933.db2.gz KLDOKMGBWGVRBP-QGZVFWFLSA-N 1 0 482.260 5.802 50 0 JKAARO CCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@@H](O)COCC(C)C ZINC000036307684 521678160 /nfs/dbraw/zinc/67/81/60/521678160.db2.gz YTDUHWAONNNPBE-HSZRJFAPSA-N 1 0 469.601 5.264 50 0 JKAARO CCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@H](O)COC(C)C ZINC000036307647 521678228 /nfs/dbraw/zinc/67/82/28/521678228.db2.gz PVQUFTLMKFQEJI-QFIPXVFZSA-N 1 0 455.574 5.016 50 0 JKAARO CCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)C[C@@H](O)Cc1ccccc1 ZINC000036306252 521678267 /nfs/dbraw/zinc/67/82/67/521678267.db2.gz YHAWXDITNBQYEA-VWLOTQADSA-N 1 0 485.628 5.704 50 0 JKAARO CCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)C[C@H](O)Cc1ccccc1 ZINC000036306249 521678485 /nfs/dbraw/zinc/67/84/85/521678485.db2.gz YHAWXDITNBQYEA-RUZDIDTESA-N 1 0 485.628 5.704 50 0 JKAARO CCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@@H](O)COC(C)(C)C ZINC000036307720 521678538 /nfs/dbraw/zinc/67/85/38/521678538.db2.gz ZJLZTQFRNKPITK-JOCHJYFZSA-N 1 0 469.601 5.407 50 0 JKAARO CCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)C[C@H](O)Cc1ccccc1 ZINC000036305887 521678544 /nfs/dbraw/zinc/67/85/44/521678544.db2.gz QMVSHUWDYKRBQD-RUZDIDTESA-N 1 0 485.628 5.704 50 0 JKAARO CCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C[C@@H](O)Cc1ccccc1 ZINC000036307179 521678700 /nfs/dbraw/zinc/67/87/00/521678700.db2.gz PXUGGUPJSKHIQD-VWLOTQADSA-N 1 0 473.592 5.834 50 0 JKAARO CCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C[C@@H](O)COC(C)C ZINC000036306475 521678810 /nfs/dbraw/zinc/67/88/10/521678810.db2.gz MAZYRNMWSMEGMJ-HSZRJFAPSA-N 1 0 451.611 5.186 50 0 JKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C[C@H](O)COCc1ccccc1 ZINC000036304851 521679314 /nfs/dbraw/zinc/67/93/14/521679314.db2.gz TZBXYKLZDCHVBD-NDEPHWFRSA-N 1 0 499.655 6.071 50 0 JKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C[C@@H](O)COCC(C)C ZINC000036304549 521679454 /nfs/dbraw/zinc/67/94/54/521679454.db2.gz QZXBQCCMGJCDFW-XMMPIXPASA-N 1 0 481.637 5.227 50 0 JKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C[C@H](O)COC(C)C ZINC000036304160 521679558 /nfs/dbraw/zinc/67/95/58/521679558.db2.gz OHJMDRZMLBSQIP-QFIPXVFZSA-N 1 0 473.564 5.249 50 0 JKAARO CCC[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C[C@H](O)COC(C)C ZINC000036316424 521679904 /nfs/dbraw/zinc/67/99/04/521679904.db2.gz OEIVMPKBYHQLTR-QHCPKHFHSA-N 1 0 481.637 5.234 50 0 JKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)C[C@H](O)Cc1ccccc1 ZINC000036308521 521680107 /nfs/dbraw/zinc/68/01/07/521680107.db2.gz JVWUKNGJNCOHOH-AREMUKBSSA-N 1 0 455.602 5.789 50 0 JKAARO CCC[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1OC)C[C@H](O)C(C)C ZINC000036302811 521680613 /nfs/dbraw/zinc/68/06/13/521680613.db2.gz ZPBJGYJDNDEAGK-DEOSSOPVSA-N 1 0 451.611 5.465 50 0 JKAARO CCC[N@H+](Cc1ccc(C(O)(c2ccc(OC)cc2)c2ccc(OC)cc2)o1)Cc1cccc(F)c1 ZINC000036203126 521682679 /nfs/dbraw/zinc/68/26/79/521682679.db2.gz DYQVTPQYAWKWOM-UHFFFAOYSA-N 1 0 489.587 6.132 50 0 JKAARO CCC[N@H+](Cc1ccc(C(O)(c2cccc(F)c2)c2cccc(F)c2)o1)Cc1ccc(C)cc1 ZINC000036202864 521683011 /nfs/dbraw/zinc/68/30/11/521683011.db2.gz ZYQWCSZAEBMTED-UHFFFAOYSA-N 1 0 461.552 6.563 50 0 JKAARO CC[NH+]1CCN(c2cc(C)c3cc(NC(=O)c4cc(-c5ccco5)nc5ccccc54)ccc3n2)CC1 ZINC000033084653 521696317 /nfs/dbraw/zinc/69/63/17/521696317.db2.gz MQFQTBXEUJNRNF-UHFFFAOYSA-N 1 0 491.595 5.746 50 0 JKAARO COC(=O)c1c(NCCC[NH+]2CCN(c3cc(C)ccc3C)CC2)onc1-c1ccc(Cl)cc1 ZINC000046914205 521774290 /nfs/dbraw/zinc/77/42/90/521774290.db2.gz LPHNURDGNUWFPR-UHFFFAOYSA-N 1 0 483.012 5.023 50 0 JKAARO COC(=O)c1c(NCC2CC[NH+](Cc3ccc(F)cc3)CC2)onc1-c1ccc(Cl)cc1 ZINC000046914218 521775899 /nfs/dbraw/zinc/77/58/99/521775899.db2.gz SNGMLQTYPBUHSS-UHFFFAOYSA-N 1 0 457.933 5.245 50 0 JKAARO COC(=O)c1ccc(C[NH+]2CCC([C@H](Cc3ccccc3Cl)N(C)C(=O)c3ccco3)CC2)cc1 ZINC000012280250 522005596 /nfs/dbraw/zinc/00/55/96/522005596.db2.gz JFBYDFIHHIYUBX-VWLOTQADSA-N 1 0 495.019 5.315 50 0 JKAARO CC[C@@H](C)[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)C[C@H](O)COCC(C)C ZINC000036305789 522096418 /nfs/dbraw/zinc/09/64/18/522096418.db2.gz JGTMGNIYZMOICN-VWNXMTODSA-N 1 0 495.664 5.522 50 0 JKAARO COc1cc(C[N@@H+](Cc2ccc(C(O)(c3ccccc3)c3ccccc3)o2)CC(C)C)cc(OC)c1 ZINC000036203666 522360061 /nfs/dbraw/zinc/36/00/61/522360061.db2.gz CIWVOORBHFQPNM-UHFFFAOYSA-N 1 0 485.624 6.239 50 0 JKAARO COc1cc(C[NH+]2CCC(C(=O)N[C@H](C)c3ccccc3)CC2)ccc1OCc1ccccc1 ZINC000012285418 522365589 /nfs/dbraw/zinc/36/55/89/522365589.db2.gz BJLFCJKYDQUMMQ-JOCHJYFZSA-N 1 0 458.602 5.364 50 0 JKAARO COc1cc(C[NH+]2CCC(C(=O)Nc3cccc(-c4cccc(Cl)c4)c3)CC2)ccc1O ZINC000012313750 522365851 /nfs/dbraw/zinc/36/58/51/522365851.db2.gz SGPPWVBZBDNGBZ-UHFFFAOYSA-N 1 0 450.966 5.572 50 0 JKAARO COc1cc(C[NH+]2CCC([C@H](Cc3ccccc3F)N(C)C(=O)c3ccsc3)CC2)cc(OC)c1 ZINC000012512689 522368172 /nfs/dbraw/zinc/36/81/72/522368172.db2.gz SOPYRRBHGDQKDU-MHZLTWQESA-N 1 0 496.648 5.500 50 0 JKAARO COc1cc(C[NH+]2CCC3(C[C@@H]3C(=O)NCCCc3ccccc3)CC2)ccc1OCc1ccccc1 ZINC000012245741 522372936 /nfs/dbraw/zinc/37/29/36/522372936.db2.gz MREFPRCLKAFBRF-MUUNZHRXSA-N 1 0 498.667 5.625 50 0 JKAARO COc1cc(C[N@@H+]2CCC[C@H](C)C2)ccc1OCCCNC(=O)c1ccc(C(F)(F)F)cc1 ZINC000014970519 522377580 /nfs/dbraw/zinc/37/75/80/522377580.db2.gz MUCKOTAUENKVRA-SFHVURJKSA-N 1 0 464.528 5.145 50 0 JKAARO COC(=O)c1sc2nc(C[NH+]3CCCCCC3)ccc2c1NC(=O)c1c(F)cccc1Cl ZINC000012243857 522436551 /nfs/dbraw/zinc/43/65/51/522436551.db2.gz SLLJEPSQOYZOLM-UHFFFAOYSA-N 1 0 475.973 5.504 50 0 JKAARO CC[C@@H](C)c1ccccc1OC[C@@H](O)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022836251 522436789 /nfs/dbraw/zinc/43/67/89/522436789.db2.gz WARWMTJSACPRBM-SQHAQQRYSA-N 1 0 458.646 5.347 50 0 JKAARO COc1cc(C[NH2+][C@@H]2CCOc3ccccc32)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000025357265 522482369 /nfs/dbraw/zinc/48/23/69/522482369.db2.gz HPNCARURVSEURN-OAQYLSRUSA-N 1 0 470.928 5.119 50 0 JKAARO CCc1nn(-c2ccccc2)c(Oc2cccc(OC)c2)c1C[N@H+](C[C@H](O)C(C)C)CC1CC1 ZINC000036302626 522640579 /nfs/dbraw/zinc/64/05/79/522640579.db2.gz DKTMPLZKEFXCRI-MHZLTWQESA-N 1 0 463.622 5.465 50 0 JKAARO CCc1nn(-c2ccccc2)c(Oc2ccccc2OC)c1C[N@H+](C[C@@H](O)Cc1ccccc1)C1CC1 ZINC000036302764 522642512 /nfs/dbraw/zinc/64/25/12/522642512.db2.gz BWKWLRWURJHHOR-SANMLTNESA-N 1 0 497.639 5.804 50 0 JKAARO C[N@H+](CCCN1C(=O)c2ccc(-c3ccco3)n2C[C@@]1(C)C(=O)NC1CCCCC1)C1CCCCC1 ZINC000021863334 522744951 /nfs/dbraw/zinc/74/49/51/522744951.db2.gz IKJJRMXDRLIWBO-LJAQVGFWSA-N 1 0 494.680 5.066 50 0 JKAARO C[N@H+](CCCNC(=O)c1cccc(Nc2ccc(-c3ccc(F)cc3)nn2)c1)Cc1ccccc1 ZINC000033257955 522768604 /nfs/dbraw/zinc/76/86/04/522768604.db2.gz UYIVWBKKCIBNRL-UHFFFAOYSA-N 1 0 469.564 5.278 50 0 JKAARO C[N@H+](CCN1C(=O)c2cc3sccc3n2C[C@]1(C)C(=O)NC1CCCCCC1)C1CCCCC1 ZINC000021809875 522822032 /nfs/dbraw/zinc/82/20/32/522822032.db2.gz QMXIUPGCUDQGHJ-HHHXNRCGSA-N 1 0 484.710 5.021 50 0 JKAARO COC[C@H]1CCC[N@@H+](C2CCN(c3ccc(NC(=O)CCCCc4ccccc4)cc3)CC2)C1 ZINC000014982134 522829715 /nfs/dbraw/zinc/82/97/15/522829715.db2.gz CZYQNJHKAYSGHV-VWLOTQADSA-N 1 0 463.666 5.365 50 0 JKAARO CC[C@H]1CCCC[N@@H+]1CCCN1C(=O)c2cc3sccc3n2C[C@@]1(C)C(=O)NC1CCCCC1 ZINC000033331655 523019596 /nfs/dbraw/zinc/01/95/96/523019596.db2.gz JWSSTHRYHWQYHS-IDISGSTGSA-N 1 0 484.710 5.021 50 0 JKAARO COc1ccc(-c2c(C)[nH]nc2-c2ccc(OCC[NH+]3CCN(c4ccccc4)CC3)c(C)c2O)cc1 ZINC000047284531 523076565 /nfs/dbraw/zinc/07/65/65/523076565.db2.gz NYKVZZGALJPHQD-UHFFFAOYSA-N 1 0 498.627 5.276 50 0 JKAARO CCn1c(C(=O)NCC[N@@H+]2CCCC[C@H]2C)cc2c(-c3cccs3)nn(-c3ccccc3)c21 ZINC000033277407 523116858 /nfs/dbraw/zinc/11/68/58/523116858.db2.gz VAHMZUSJBHZTMS-LJQANCHMSA-N 1 0 461.635 5.180 50 0 JKAARO CCn1c(C)c(C[NH+]2CCC(C(=O)N3CCC(Cc4ccccc4)CC3)CC2)c2ccccc21 ZINC000035457885 523123161 /nfs/dbraw/zinc/12/31/61/523123161.db2.gz ZKAUCZCVGXPCNR-UHFFFAOYSA-N 1 0 457.662 5.663 50 0 JKAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1[nH]c2cc(C)ccc2c1Sc1ccc(Cl)cc1 ZINC000020466728 523169234 /nfs/dbraw/zinc/16/92/34/523169234.db2.gz JSRUSQXJSBSXJI-HXUWFJFHSA-N 1 0 470.082 6.665 50 0 JKAARO C[N@H+](Cc1cc2ccccc2s1)Cc1ccc(OC2CCN(C(=O)CC3CCCC3)CC2)cc1 ZINC000012455156 523187717 /nfs/dbraw/zinc/18/77/17/523187717.db2.gz GSCKOOPDHFXFOA-UHFFFAOYSA-N 1 0 476.686 6.483 50 0 JKAARO CCn1c(C[NH+]2CCC(C)CC2)nc2cc(NC(=O)COc3ccc(Cl)c(C)c3)ccc21 ZINC000008606717 523188616 /nfs/dbraw/zinc/18/86/16/523188616.db2.gz AMUDVRAMTWWCQH-UHFFFAOYSA-N 1 0 455.002 5.267 50 0 JKAARO COCCC[N@H+](Cc1ccc(C(O)(c2cccc(F)c2)c2cccc(F)c2)o1)Cc1ccc(C)s1 ZINC000036154596 523262494 /nfs/dbraw/zinc/26/24/94/523262494.db2.gz SSNAVGJXVZYRMC-UHFFFAOYSA-N 1 0 497.607 6.251 50 0 JKAARO COCCC[N@H+](Cc1ccc(C(O)(c2ccccc2)c2ccccc2)o1)Cc1ccc(C)s1 ZINC000036154589 523264240 /nfs/dbraw/zinc/26/42/40/523264240.db2.gz JSYKZCVFUPFUSA-UHFFFAOYSA-N 1 0 461.627 5.972 50 0 JKAARO COCCC[N@@H+](Cc1ccsc1)Cc1ccc(C(O)(c2cccc(F)c2)c2cccc(F)c2)o1 ZINC000036202914 523266695 /nfs/dbraw/zinc/26/66/95/523266695.db2.gz GVLKGMHGWYRTHC-UHFFFAOYSA-N 1 0 483.580 5.942 50 0 JKAARO C[N@H+](Cc1ccc(OC2CCN(C(=O)c3ccoc3)CC2)cc1)Cc1ccc2ncccc2c1 ZINC000012219303 523271890 /nfs/dbraw/zinc/27/18/90/523271890.db2.gz JOFKHSMYVHKSBZ-UHFFFAOYSA-N 1 0 455.558 5.143 50 0 JKAARO CN(Cc1ccc2ncccc2c1)C(=O)c1cc2cc(C3(O)CC[NH+](C4CCCCC4)CC3)ccc2o1 ZINC000012245008 523285789 /nfs/dbraw/zinc/28/57/89/523285789.db2.gz FCTGUOWDANCSNH-UHFFFAOYSA-N 1 0 497.639 5.869 50 0 JKAARO C[N@H+](Cc1cccc2ccccc21)[C@H]1CCC(=O)N(Cc2cc3c(cc2Cl)OCO3)CC1 ZINC000014987308 523320780 /nfs/dbraw/zinc/32/07/80/523320780.db2.gz AODXSOOXTKGGQO-NRFANRHFSA-N 1 0 450.966 5.235 50 0 JKAARO CN(Cc1cccc2cccnc21)C(=O)c1cc2cc(C3(O)CC[NH+](C4CCCC4)CC3)ccc2o1 ZINC000014989134 523321005 /nfs/dbraw/zinc/32/10/05/523321005.db2.gz LBENLQVNVKLIDW-UHFFFAOYSA-N 1 0 483.612 5.479 50 0 JKAARO COc1ccc(-n2cc(C(=O)NCCC[N@H+](Cc3ccccc3)C(C)C)c3ccccc3c2=O)cc1 ZINC000020509011 523326574 /nfs/dbraw/zinc/32/65/74/523326574.db2.gz ZSZZRSAMFXQSIH-UHFFFAOYSA-N 1 0 483.612 5.030 50 0 JKAARO CN(Cc1ccccc1Cl)N1c2ccccc2[C@@](CC[NH+]2CCCCC2)(c2ccccc2)C1=O ZINC000071767378 523366225 /nfs/dbraw/zinc/36/62/25/523366225.db2.gz ANZIRVVNDMHSTQ-GDLZYMKVSA-N 1 0 474.048 5.896 50 0 JKAARO CN(Cc1ccco1)C(=O)C1CC[NH+](Cc2cc3ccccc3n2Cc2cccc(Cl)c2)CC1 ZINC000046055568 523424069 /nfs/dbraw/zinc/42/40/69/523424069.db2.gz CWJYJYJOHHFYSV-UHFFFAOYSA-N 1 0 476.020 5.807 50 0 JKAARO CN(Cc1cscn1)C(=O)c1cc2cc(C3(O)CC[NH+](C/C=C/c4ccccc4)CC3)ccc2o1 ZINC000014989839 523538084 /nfs/dbraw/zinc/53/80/84/523538084.db2.gz TYMGYIOTJQGSDE-VMPITWQZSA-N 1 0 487.625 5.158 50 0 JKAARO COc1ccc(C(=O)NC[C@H](C)Oc2ccc(C[NH+]3CCC(c4ccccc4)CC3)cc2)cc1 ZINC000012244414 523708385 /nfs/dbraw/zinc/70/83/85/523708385.db2.gz AEPIYIWIORWVCZ-QFIPXVFZSA-N 1 0 458.602 5.272 50 0 JKAARO CN1C(=O)N(Cc2ccc3ccccc3c2)C(=O)C12CC[NH+](Cc1ccccc1C(F)(F)F)CC2 ZINC000014755410 523718107 /nfs/dbraw/zinc/71/81/07/523718107.db2.gz CNGZHGKEEDPKTR-UHFFFAOYSA-N 1 0 481.518 5.287 50 0 JKAARO COCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C[C@@H](O)Cc1ccccc1 ZINC000036306930 523734983 /nfs/dbraw/zinc/73/49/83/523734983.db2.gz CIZSQRFGLWIGNO-VWLOTQADSA-N 1 0 489.591 5.071 50 0 JKAARO COCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C[C@H](O)Cc1ccccc1 ZINC000036306927 523736234 /nfs/dbraw/zinc/73/62/34/523736234.db2.gz CIZSQRFGLWIGNO-RUZDIDTESA-N 1 0 489.591 5.071 50 0 JKAARO COCC[N@H+](Cc1ccc(C(O)(c2cccs2)c2cccs2)o1)Cc1ccccc1C ZINC000036203161 523745852 /nfs/dbraw/zinc/74/58/52/523745852.db2.gz QBIOKZYTXJAOAQ-UHFFFAOYSA-N 1 0 453.629 5.644 50 0 JKAARO C[N@@H+]1CCC[C@@H](COc2cc(-c3cccc(Cl)c3)cc3c2OCCN(C(=O)c2cccs2)C3)C1 ZINC000014879108 523815369 /nfs/dbraw/zinc/81/53/69/523815369.db2.gz PHTOEQYWLLEECW-LJQANCHMSA-N 1 0 497.060 5.824 50 0 JKAARO CCc1cc([C@H](c2ccccc2OC)N2CC[NH+](CC)CC2)c(NC(=O)c2ccccc2)s1 ZINC000019880729 523843214 /nfs/dbraw/zinc/84/32/14/523843214.db2.gz YWGLFTSQQASXSC-VWLOTQADSA-N 1 0 463.647 5.298 50 0 JKAARO CCc1ccc(-c2c3cnc4ccc(F)cc4c3sc2C(=O)NCCC[NH+]2CCCC2)cc1 ZINC000045944017 523853319 /nfs/dbraw/zinc/85/33/19/523853319.db2.gz OZWSTZLSGZJBOS-UHFFFAOYSA-N 1 0 461.606 6.034 50 0 JKAARO CCc1ccc(-c2nc(C[NH+]3CCC(C(=O)NCCc4ccc(Cl)cc4)CC3)c(C)o2)cc1 ZINC000008597591 523859170 /nfs/dbraw/zinc/85/91/70/523859170.db2.gz VXZWGWXTUFWDPR-UHFFFAOYSA-N 1 0 466.025 5.437 50 0 JKAARO CC[C@H](C)[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)C[C@H](O)COC(C)(C)C ZINC000036306167 523940527 /nfs/dbraw/zinc/94/05/27/523940527.db2.gz AAEIISIJRWFLFD-GMAHTHKFSA-N 1 0 495.664 5.665 50 0 JKAARO CC[C@H](C)[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)C[C@H](O)COC(C)(C)C ZINC000036308407 523940646 /nfs/dbraw/zinc/94/06/46/523940646.db2.gz ABALIXCKRIRJDL-URXFXBBRSA-N 1 0 465.638 5.750 50 0 JKAARO CC[C@H](C)[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C[C@H](O)COC(C)C ZINC000036304463 523940745 /nfs/dbraw/zinc/94/07/45/523940745.db2.gz UXQBMNRUWIGLFA-URXFXBBRSA-N 1 0 481.637 5.368 50 0 JKAARO CC[C@H](C)[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)C[C@H](O)COCC(C)C ZINC000036306157 523940954 /nfs/dbraw/zinc/94/09/54/523940954.db2.gz BXADOLCVXISLDC-UPVQGACJSA-N 1 0 495.664 5.522 50 0 JKAARO CC[C@H](C)[N@H+](Cc1ccc(C(O)(c2cccs2)c2cccs2)o1)Cc1ccccc1OC ZINC000036167813 523942459 /nfs/dbraw/zinc/94/24/59/523942459.db2.gz BEMGNGWLVLESMJ-IBGZPJMESA-N 1 0 467.656 6.496 50 0 JKAARO CN(C(=O)c1cccs1)[C@@H](Cc1ccccc1F)C1CC[NH+](Cc2ccc3cccnc3c2)CC1 ZINC000012242787 523951499 /nfs/dbraw/zinc/95/14/99/523951499.db2.gz DDQCYCNJLXNUSR-MHZLTWQESA-N 1 0 487.644 6.031 50 0 JKAARO CN(C(=O)c1ccco1)[C@H](Cc1ccccc1Cl)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000012279339 523951700 /nfs/dbraw/zinc/95/17/00/523951700.db2.gz QORXKAMQIRXOEE-XMMPIXPASA-N 1 0 454.973 5.668 50 0 JKAARO CN(C(=O)c1cccs1)[C@H](Cc1ccccc1F)C1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000014965085 523951897 /nfs/dbraw/zinc/95/18/97/523951897.db2.gz DBGMFLFAVWZPFH-HSZRJFAPSA-N 1 0 480.605 5.211 50 0 JKAARO CN(C(=O)c1ccsc1)[C@H](Cc1ccccc1F)C1CC[NH+](Cc2cccc3ncccc23)CC1 ZINC000014959746 523956615 /nfs/dbraw/zinc/95/66/15/523956615.db2.gz MTLBKWDFBUCKOD-MUUNZHRXSA-N 1 0 487.644 6.031 50 0 JKAARO CN(C(=O)c1ccsc1)[C@H](Cc1ccccc1F)C1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000014966910 523956748 /nfs/dbraw/zinc/95/67/48/523956748.db2.gz WFINYORBWDCFNC-XMMPIXPASA-N 1 0 480.605 5.211 50 0 JKAARO COc1ccc(CC[NH2+]Cc2c(OCc3ccc(Cl)cc3Cl)ccc3ccccc32)cc1 ZINC000016216567 523974131 /nfs/dbraw/zinc/97/41/31/523974131.db2.gz BZFWQUQECNFZPU-UHFFFAOYSA-N 1 0 466.408 7.067 50 0 JKAARO CC[C@H](C)[NH2+]C[C@H](O)Cn1c2ccc(Br)cc2c2cc(Br)ccc21 ZINC000028297143 524003305 /nfs/dbraw/zinc/00/33/05/524003305.db2.gz LRXGAQSCTJRCOM-WFASDCNBSA-N 1 0 454.206 5.069 50 0 JKAARO CO[C@H]1[C@H](NC(=O)Cc2cccs2)c2ccccc2C12CC[NH+](CCCc1ccccc1)CC2 ZINC000014889492 524022521 /nfs/dbraw/zinc/02/25/21/524022521.db2.gz MEVWEOLIHXPUFF-IZLXSDGUSA-N 1 0 474.670 5.143 50 0 JKAARO COc1ccc(C[NH+]2CCC([C@@H](Cc3ccccc3Cl)N(C)C(=O)c3ccco3)CC2)cc1OC ZINC000014988218 524024003 /nfs/dbraw/zinc/02/40/03/524024003.db2.gz IEVZLXNEKJVEMI-XMMPIXPASA-N 1 0 497.035 5.546 50 0 JKAARO COc1ccc(C[NH+]2CCC([C@H](Cc3ccccc3Cl)N(C)C(=O)c3ccco3)CC2)c(OC)c1 ZINC000014975660 524024313 /nfs/dbraw/zinc/02/43/13/524024313.db2.gz PQRGCMDELCWZMP-VWLOTQADSA-N 1 0 497.035 5.546 50 0 JKAARO COc1ccc(C[NH+]2CCC([C@@H](Cc3ccccc3Cl)N(C)C(=O)c3ccco3)CC2)c(OC)c1 ZINC000014975657 524024321 /nfs/dbraw/zinc/02/43/21/524024321.db2.gz PQRGCMDELCWZMP-RUZDIDTESA-N 1 0 497.035 5.546 50 0 JKAARO COc1ccc(CNC(=O)C2CC[NH+](Cc3cc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1 ZINC000046055936 524045949 /nfs/dbraw/zinc/04/59/49/524045949.db2.gz HLRGTPKZPPUANZ-UHFFFAOYSA-N 1 0 485.603 5.366 50 0 JKAARO CCc1ccc2c(c1)c(-c1ccc(Cl)cc1)c(C(=O)N1CCC([NH+]3CCCCC3)CC1)n2C ZINC000019894359 524059611 /nfs/dbraw/zinc/05/96/11/524059611.db2.gz FXISUNSXMFEZOR-UHFFFAOYSA-N 1 0 464.053 6.152 50 0 JKAARO C[C@@H]1CCCC[N@@H+]1C[C@@H](O)Cn1c(-c2ccccc2)c(-c2ccccc2)c2ccc3ccccc3c21 ZINC000020059514 524113507 /nfs/dbraw/zinc/11/35/07/524113507.db2.gz JGADKEHTISWKSV-UFHPHHKVSA-N 1 0 474.648 7.364 50 0 JKAARO Cc1ccc(C)c(NC(=O)C2CC[NH+](Cc3cc4ccccc4n3Cc3cccc(F)c3)CC2)c1 ZINC000046056011 524131244 /nfs/dbraw/zinc/13/12/44/524131244.db2.gz FHLKZKMZPIPVMZ-UHFFFAOYSA-N 1 0 469.604 6.296 50 0 JKAARO C[C@@H]1CCC[N@H+](CCCNC(=O)Cn2cccc2-c2nc(-c3ccc(Cl)cc3)cs2)C1 ZINC000021656911 524223356 /nfs/dbraw/zinc/22/33/56/524223356.db2.gz AVUTZCRQIFLSCY-GOSISDBHSA-N 1 0 457.043 5.170 50 0 JKAARO Cc1cccc(C)c1NC(=O)C1CC[NH+](Cc2cc3ccccc3n2Cc2cccc(F)c2)CC1 ZINC000046055992 524268177 /nfs/dbraw/zinc/26/81/77/524268177.db2.gz HKXBLCQZXPYIOL-UHFFFAOYSA-N 1 0 469.604 6.296 50 0 JKAARO C[C@@H]1CCC[C@@H](C)[NH+]1CCCNC(=O)c1ccc2c(c1)N(Cc1ccc(F)cc1)CCS2 ZINC000009962690 524279400 /nfs/dbraw/zinc/27/94/00/524279400.db2.gz PXENOSPDLHVTGW-WOJBJXKFSA-N 1 0 455.643 5.321 50 0 JKAARO C[C@@H]1CCC[C@@H]([N@H+](CCCNC(=O)c2noc3c2COc2ccccc2-3)Cc2ccco2)[C@@H]1C ZINC000020484820 524301876 /nfs/dbraw/zinc/30/18/76/524301876.db2.gz JCRBPZCYHMFIKU-DNVFCKCGSA-N 1 0 463.578 5.274 50 0 JKAARO COc1ccccc1-n1cc(-c2ccccc2)c2c1ncnc2N1CC[NH+](Cc2ccccc2)CC1 ZINC000021798234 524303951 /nfs/dbraw/zinc/30/39/51/524303951.db2.gz MFOXSVSQELDBKZ-UHFFFAOYSA-N 1 0 475.596 5.418 50 0 JKAARO C[C@H](CNC(=O)COc1ccc(-c2nc3ccccc3s2)cc1C[NH+](C)C)c1ccccc1 ZINC000012279600 524384121 /nfs/dbraw/zinc/38/41/21/524384121.db2.gz MPTNVOOZNNYLAF-LJQANCHMSA-N 1 0 459.615 5.324 50 0 JKAARO COc1ccccc1CCNC(=O)Cc1ccc(N2CCC([NH2+]CCC3=CCCCC3)CC2)cc1 ZINC000014989672 524413548 /nfs/dbraw/zinc/41/35/48/524413548.db2.gz ZWAYQVPRGFWKGU-UHFFFAOYSA-N 1 0 475.677 5.046 50 0 JKAARO Cc1ccc(C[NH+]2CCC(CNC(=O)c3cc(-c4ccccn4)nc4ccccc43)CC2)cc1 ZINC000033267187 524438268 /nfs/dbraw/zinc/43/82/68/524438268.db2.gz OHFSHCIUZYHZPM-UHFFFAOYSA-N 1 0 450.586 5.247 50 0 JKAARO Cc1ccc(C[NH+]2CCC(O)(c3ccc4oc(C(=O)NCCc5ccc(F)cc5)cc4c3)CC2)cc1 ZINC000012278373 524439372 /nfs/dbraw/zinc/43/93/72/524439372.db2.gz VXMXZRBQMVTKBH-UHFFFAOYSA-N 1 0 486.587 5.336 50 0 JKAARO Cc1ccc(C[NH+]2CCC(c3nnc(SC[C@H]4CCCO4)n3Cc3ccccc3)CC2)cc1 ZINC000014882495 524444511 /nfs/dbraw/zinc/44/45/11/524444511.db2.gz LBARFDKWJVDSLG-RUZDIDTESA-N 1 0 462.663 5.286 50 0 JKAARO COc1ccccc1C[NH+]1CCC(c2nnc(SCC3CCCCC3)n2C[C@@H]2CCCO2)CC1 ZINC000012200691 524449019 /nfs/dbraw/zinc/44/90/19/524449019.db2.gz XNTUQQLBTDLLKL-DEOSSOPVSA-N 1 0 484.710 5.518 50 0 JKAARO C[C@@H](CCCC(C)(C)O)[NH2+]Cc1cc2ccc(Cl)cc2n(CCOc2ccccc2)c1=O ZINC000014974330 524453134 /nfs/dbraw/zinc/45/31/34/524453134.db2.gz OFQDEOFZCMZVAD-IBGZPJMESA-N 1 0 457.014 5.153 50 0 JKAARO COc1ccccc1CNC(=O)C1CC[NH+](Cc2cc3ccccc3n2Cc2cccc(C)c2)CC1 ZINC000008606961 524460005 /nfs/dbraw/zinc/46/00/05/524460005.db2.gz PKQADMUBWBEHGD-UHFFFAOYSA-N 1 0 481.640 5.535 50 0 JKAARO Cc1cccc(Cn2c(C[NH+]3CCC(C(=O)NCc4ccccc4C)CC3)cc3ccccc32)c1 ZINC000046055916 524491155 /nfs/dbraw/zinc/49/11/55/524491155.db2.gz FGLZSUOUYVOJKF-UHFFFAOYSA-N 1 0 465.641 5.835 50 0 JKAARO Cc1cccc(Cn2c(C[NH+]3CCC(C(=O)NC[C@@H](C)c4ccccc4)CC3)cc3ccccc32)c1 ZINC000046055893 524491773 /nfs/dbraw/zinc/49/17/73/524491773.db2.gz DOUZGAQQMQGPOG-RUZDIDTESA-N 1 0 479.668 6.130 50 0 JKAARO Cc1ccc(CNC(=O)C2CC[NH+](Cc3cc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1 ZINC000046055938 524495126 /nfs/dbraw/zinc/49/51/26/524495126.db2.gz KVEUFGMCASGXBK-UHFFFAOYSA-N 1 0 469.604 5.666 50 0 JKAARO Cc1ccc(CNC(=O)C2CC[NH+](Cc3cc4ccccc4n3Cc3ccccc3)CC2)cc1 ZINC000046055438 524495325 /nfs/dbraw/zinc/49/53/25/524495325.db2.gz XRYKEFFBUHXVCP-UHFFFAOYSA-N 1 0 451.614 5.526 50 0 JKAARO Cc1ccc(CNC(=O)C2CC[NH+](Cc3cc4ccccc4n3Cc3ccccc3Cl)CC2)cc1 ZINC000046055699 524496126 /nfs/dbraw/zinc/49/61/26/524496126.db2.gz JNDAUOYSLWCBBZ-UHFFFAOYSA-N 1 0 486.059 6.180 50 0 JKAARO COc1ccccc1N(C(C)=O)c1nc(CN2CC[NH+](Cc3cccc4ccccc43)CC2)cs1 ZINC000022786918 524524356 /nfs/dbraw/zinc/52/43/56/524524356.db2.gz RRLFGBVNMOQWLV-UHFFFAOYSA-N 1 0 486.641 5.307 50 0 JKAARO C[C@@H](CCc1ccccc1)NC(=O)C1CC[NH+](Cc2cc3ccccc3n2Cc2cccc(F)c2)CC1 ZINC000046056061 524529182 /nfs/dbraw/zinc/52/91/82/524529182.db2.gz OPFGGRQTNVCREC-DEOSSOPVSA-N 1 0 497.658 6.178 50 0 JKAARO Cc1cccc(N2CC[N@@H+](CCCNc3ncnc4onc(-c5ccc(Cl)cc5)c43)C[C@@H]2C)c1 ZINC000008595464 524555385 /nfs/dbraw/zinc/55/53/85/524555385.db2.gz XSEHDBZUHIAJIP-IBGZPJMESA-N 1 0 477.012 5.259 50 0 JKAARO Cc1cccc(NC(=O)C2CC[NH+](Cc3cc4ccccc4n3Cc3ccccc3Cl)CC2)c1C ZINC000046055691 524582014 /nfs/dbraw/zinc/58/20/14/524582014.db2.gz GUEGVRSHALFIEE-UHFFFAOYSA-N 1 0 486.059 6.811 50 0 JKAARO COc1ccccc1NC(=O)C1CC[NH+](Cc2cc3ccccc3n2Cc2cccc(Cl)c2)CC1 ZINC000046055655 524588655 /nfs/dbraw/zinc/58/86/55/524588655.db2.gz FPSRHRCLKIHVNX-UHFFFAOYSA-N 1 0 488.031 6.202 50 0 JKAARO COc1ccccc1NC(=O)c1cc2cc(C3(O)CC[NH+](Cc4ccccc4Cl)CC3)ccc2o1 ZINC000012330277 524626493 /nfs/dbraw/zinc/62/64/93/524626493.db2.gz RXXBDAPHJLBAHL-UHFFFAOYSA-N 1 0 490.987 5.831 50 0 JKAARO C[C@@H](CNC(=O)/C=C/c1cccs1)Oc1cccc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000014970599 524635266 /nfs/dbraw/zinc/63/52/66/524635266.db2.gz TVGPOMKLHNXAHR-ZJVMWOEPSA-N 1 0 496.076 5.321 50 0 JKAARO COc1ccccc1Oc1c(C[N@H+](CC(C)C)C[C@@H](O)COC(C)(C)C)c(-c2ccccc2)nn1C ZINC000036305706 524693795 /nfs/dbraw/zinc/69/37/95/524693795.db2.gz WMYIFOFILNQNPS-HSZRJFAPSA-N 1 0 495.664 5.522 50 0 JKAARO COc1ccccc1Oc1c(C[N@H+](C[C@@H](O)Cc2ccccc2)C(C)C)c(C)nn1-c1ccccc1 ZINC000036302007 524694161 /nfs/dbraw/zinc/69/41/61/524694161.db2.gz MHRMMUXLUGHKAV-SANMLTNESA-N 1 0 485.628 5.796 50 0 JKAARO COc1ccccc1Oc1c(C[N@H+](C[C@@H](O)COCC(C)C)CC2CC2)c(C)nn1-c1ccccc1 ZINC000036302291 524694216 /nfs/dbraw/zinc/69/42/16/524694216.db2.gz BGUNCXQIINEQBR-RUZDIDTESA-N 1 0 493.648 5.227 50 0 JKAARO COc1ccccc1Oc1c(C[N@H+](C[C@H](O)COCC(C)C)C(C)C)c(C)nn1-c1ccccc1 ZINC000036302010 524696139 /nfs/dbraw/zinc/69/61/39/524696139.db2.gz UNASXUFIQBOHFY-DEOSSOPVSA-N 1 0 481.637 5.226 50 0 JKAARO C[C@H](Cc1ccco1)NC(=O)C1CC[NH+](Cc2cc3ccccc3n2Cc2cccc(Cl)c2)CC1 ZINC000046055659 524742782 /nfs/dbraw/zinc/74/27/82/524742782.db2.gz KBDYFQKQYYMFQR-OAQYLSRUSA-N 1 0 490.047 5.895 50 0 JKAARO Cc1ccc(Cn2c(C[NH+]3CCC(C(=O)NCc4ccccc4C)CC3)cc3ccccc32)cc1 ZINC000008607048 524766648 /nfs/dbraw/zinc/76/66/48/524766648.db2.gz OMJVKIJMYZNHLK-UHFFFAOYSA-N 1 0 465.641 5.835 50 0 JKAARO Cc1ccc(Cn2c(C[NH+]3CCC(C(=O)NC[C@H](C)c4ccccc4)CC3)cc3ccccc32)cc1 ZINC000008607002 524766880 /nfs/dbraw/zinc/76/68/80/524766880.db2.gz YHIAQUCVUFXRPK-VWLOTQADSA-N 1 0 479.668 6.130 50 0 JKAARO COc1ccc(OC)c(C[NH+]2CCC([C@H](Cc3ccccc3F)N(C)C(=O)c3cccs3)CC2)c1 ZINC000012332263 524824877 /nfs/dbraw/zinc/82/48/77/524824877.db2.gz MOENAUCYFYCYRL-VWLOTQADSA-N 1 0 496.648 5.500 50 0 JKAARO COc1ccc(OC)c(CNC(=O)C2CC[NH+](Cc3cc4ccccc4n3Cc3ccccc3)CC2)c1 ZINC000046055475 524830762 /nfs/dbraw/zinc/83/07/62/524830762.db2.gz AUPHNROCIAPOKV-UHFFFAOYSA-N 1 0 497.639 5.235 50 0 JKAARO Cc1ccc(F)cc1S(=O)(=O)Nc1ccc(Nc2cc(NC3CCCCC3)nc(C)[nH+]2)cc1 ZINC000033326935 524873705 /nfs/dbraw/zinc/87/37/05/524873705.db2.gz QBUMJEZLFZLXBJ-UHFFFAOYSA-N 1 0 469.586 5.522 50 0 JKAARO Cc1ccc(N(C2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)S(=O)(=O)c2cccc(C)c2)cc1 ZINC000034683817 524890437 /nfs/dbraw/zinc/89/04/37/524890437.db2.gz OXBWNGVEYYSLGB-UHFFFAOYSA-N 1 0 476.686 6.287 50 0 JKAARO COc1ccc(OC)c2nc(-c3ccc(C)cc3)c(CN(CC[NH+](C)C)C(=O)c3ccoc3)cc12 ZINC000014993425 524923454 /nfs/dbraw/zinc/92/34/54/524923454.db2.gz BDHQHNYPPCPTNE-UHFFFAOYSA-N 1 0 473.573 5.024 50 0 JKAARO COc1ccc(Oc2c(C[N@H+](CC(C)C)C[C@@H](O)COC(C)(C)C)c(C)nn2-c2ccccc2)cc1 ZINC000036302396 524988871 /nfs/dbraw/zinc/98/88/71/524988871.db2.gz COJBKMQHABRQFB-XMMPIXPASA-N 1 0 495.664 5.616 50 0 JKAARO COc1ccc(Oc2c(C[N@H+](CC(C)C)C[C@H](O)COC(C)(C)C)c(C)nn2-c2ccccc2)cc1 ZINC000036302393 524989004 /nfs/dbraw/zinc/98/90/04/524989004.db2.gz COJBKMQHABRQFB-DEOSSOPVSA-N 1 0 495.664 5.616 50 0 JKAARO COc1ccc(Oc2c(C[N@H+](CC(C)C)C[C@H](O)COCC(C)C)c(C)nn2-c2ccccc2)cc1 ZINC000036302367 524990594 /nfs/dbraw/zinc/99/05/94/524990594.db2.gz FBSSMTCRPZUDIX-VWLOTQADSA-N 1 0 495.664 5.473 50 0 JKAARO COc1ccc(Oc2c(C[N@H+](C[C@H](O)Cc3ccccc3)CC3CC3)c(C)nn2-c2ccccc2)cc1 ZINC000036304621 524991738 /nfs/dbraw/zinc/99/17/38/524991738.db2.gz NNSBCKQMPKWOCF-HHHXNRCGSA-N 1 0 497.639 5.797 50 0 JKAARO COc1ccc(Oc2c(C[N@H+](C[C@H](O)c3ccccc3)CC3CC3)c(C)nn2-c2ccccc2)cc1 ZINC000036304602 524992301 /nfs/dbraw/zinc/99/23/01/524992301.db2.gz OIYKFPZPIRWDRY-LJAQVGFWSA-N 1 0 483.612 5.927 50 0 JKAARO Cc1cccc2oc(SCc3nc(C(=O)NC4CC[NH+](Cc5ccccc5)CC4)cs3)nc21 ZINC000016486021 524998621 /nfs/dbraw/zinc/99/86/21/524998621.db2.gz PQGJEXQUZFLFPK-UHFFFAOYSA-N 1 0 478.643 5.279 50 0 JKAARO Cc1ccccc1-c1cccc(C[NH+]2CCC3(CC2)C(=O)N(Cc2ccccn2)C(=O)N3CC(C)C)c1 ZINC000014752977 525005816 /nfs/dbraw/zinc/00/58/16/525005816.db2.gz PZINRVVNGSVXGV-UHFFFAOYSA-N 1 0 496.655 5.512 50 0 JKAARO Cc1ccccc1-c1cccc(C[NH+]2CCC3(CC2)C(=O)N(C)C(=O)N3Cc2ccccc2)c1 ZINC000014744567 525005850 /nfs/dbraw/zinc/00/58/50/525005850.db2.gz TVZWTGZRTZLSKG-UHFFFAOYSA-N 1 0 453.586 5.091 50 0 JKAARO Cc1ccccc1-c1cnc(-c2ccncc2)nc1[C@@H]1CCC[N@H+](Cc2ccc(OCCO)cc2)C1 ZINC000014996434 525005881 /nfs/dbraw/zinc/00/58/81/525005881.db2.gz CCGHPUORPHATPA-RUZDIDTESA-N 1 0 480.612 5.265 50 0 JKAARO Cc1ccc(NC(=O)C2CC[NH+](Cc3cc4ccccc4n3Cc3cccc(F)c3)CC2)c(C)c1 ZINC000046056015 525025951 /nfs/dbraw/zinc/02/59/51/525025951.db2.gz NZPSCNCFLNERIA-UHFFFAOYSA-N 1 0 469.604 6.296 50 0 JKAARO C[C@@H](NC(=O)C1CC[NH+](Cc2cc3ccccc3n2Cc2cccc(F)c2)CC1)c1ccccc1 ZINC000046056025 525069335 /nfs/dbraw/zinc/06/93/35/525069335.db2.gz KXCFZAXPYMZRAN-JOCHJYFZSA-N 1 0 469.604 5.918 50 0 JKAARO C[C@@H](NC(=O)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccccc2)CC1)c1ccccc1 ZINC000046055447 525069753 /nfs/dbraw/zinc/06/97/53/525069753.db2.gz VLZMATFDLGHYDW-HSZRJFAPSA-N 1 0 451.614 5.779 50 0 JKAARO Cc1ccccc1CNC(=O)C1CC[NH+](Cc2cc3ccccc3n2Cc2cccc(F)c2)CC1 ZINC000046056073 525148736 /nfs/dbraw/zinc/14/87/36/525148736.db2.gz GDTLIOYECVISQT-UHFFFAOYSA-N 1 0 469.604 5.666 50 0 JKAARO Cc1ccccc1CNC(=O)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000046055973 525149409 /nfs/dbraw/zinc/14/94/09/525149409.db2.gz KGQUVQWILNNTDJ-UHFFFAOYSA-N 1 0 469.604 5.666 50 0 JKAARO Cc1ccccc1CNC(=O)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccccc2)CC1 ZINC000046055479 525149538 /nfs/dbraw/zinc/14/95/38/525149538.db2.gz XHFVGALBXPEARN-UHFFFAOYSA-N 1 0 451.614 5.526 50 0 JKAARO Cc1ccccc1Cn1c(C[NH+]2CCC(C(=O)NCc3cccc(F)c3)CC2)cc2ccccc21 ZINC000046055849 525210257 /nfs/dbraw/zinc/21/02/57/525210257.db2.gz JVWVOYLQHBVELP-UHFFFAOYSA-N 1 0 469.604 5.666 50 0 JKAARO Cc1ccccc1OC[C@@H](O)C[N@@H+](Cc1ccccc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146533 525307886 /nfs/dbraw/zinc/30/78/86/525307886.db2.gz QJBASNOVBDTTFL-DQEYMECFSA-N 1 0 464.993 5.084 50 0 JKAARO C[C@@H]([NH2+]C1CCN(c2ccc(NC(=O)Cc3cccc(Cl)c3)cc2)CC1)c1cccs1 ZINC000014983950 525404886 /nfs/dbraw/zinc/40/48/86/525404886.db2.gz HALTXMUZDRLBHX-GOSISDBHSA-N 1 0 454.039 5.902 50 0 JKAARO Cc1[nH]c2ccc(C(=O)N(Cc3ccc(OCC[NH+]4CCCCC4)cc3)Cc3ccccn3)cc2c1C ZINC000012247305 525419407 /nfs/dbraw/zinc/41/94/07/525419407.db2.gz SRAXXABSTGPPOG-UHFFFAOYSA-N 1 0 496.655 5.887 50 0 JKAARO CSCCC[N@@H+]1C[C@H](Sc2ccc(F)cc2)C[C@H]1C(=O)Nc1ccc2sc(C)nc2c1 ZINC000014996189 525450109 /nfs/dbraw/zinc/45/01/09/525450109.db2.gz HQVCPOLHNQOQFB-CTNGQTDRSA-N 1 0 475.680 5.671 50 0 JKAARO COc1ccc2[nH]cc(CCNC(=O)c3ccccc3SC[C@H]3CCC[N@@H+]4CCCC[C@@H]34)c2c1 ZINC000033435703 525494950 /nfs/dbraw/zinc/49/49/50/525494950.db2.gz GJAYETZNERUDBM-RLWLMLJZSA-N 1 0 477.674 5.506 50 0 JKAARO C[C@@H]([NH2+]Cc1c(OCc2ccccc2Cl)ccc2ccccc21)C12CC3CC(CC(C3)C1)C2 ZINC000016576110 525508376 /nfs/dbraw/zinc/50/83/76/525508376.db2.gz FKFVOYCSJGMUQP-ODAWRTACSA-N 1 0 460.061 7.767 50 0 JKAARO Cc1ccc(S(=O)(=O)N[C@@H](c2c(C)cc(C)cc2C)[C@@H]([NH3+])c2c(C)cc(C)cc2C)cc1 ZINC000071773558 525582070 /nfs/dbraw/zinc/58/20/70/525582070.db2.gz XAXZXGHDWDUHFH-SVBPBHIXSA-N 1 0 450.648 5.565 50 0 JKAARO Cc1cc2c(-c3ccccc3)c(-c3ccccc3)n(C[C@H](O)C[NH2+]CCc3ccccc3)c2c(C)c1 ZINC000002083428 525588665 /nfs/dbraw/zinc/58/86/65/525588665.db2.gz SKGRWPWBPUVWDS-GDLZYMKVSA-N 1 0 474.648 6.785 50 0 JKAARO Cc1c(C(=O)NCCC[NH+]2CCCC2)oc2ccc3c(c12)C(=O)C[C@](C)(c1ccc(Cl)cc1)O3 ZINC000020418060 525608588 /nfs/dbraw/zinc/60/85/88/525608588.db2.gz MUBQMDAZZSTENN-HHHXNRCGSA-N 1 0 480.992 5.491 50 0 JKAARO Cc1c(C(=O)NCCC[N@H+]2CCCC[C@@H]2C)oc2c1-c1nn(Cc3cccc(Cl)c3)cc1CC2 ZINC000020490165 525608652 /nfs/dbraw/zinc/60/86/52/525608652.db2.gz OUYYACZENILMNJ-SFHVURJKSA-N 1 0 481.040 5.246 50 0 JKAARO Cc1c(C(=O)NCCC[NH+]2CCCC2)oc2ccc3c(c12)C(=O)C[C@@](C)(c1ccc(Cl)cc1)O3 ZINC000020418063 525609356 /nfs/dbraw/zinc/60/93/56/525609356.db2.gz MUBQMDAZZSTENN-MHZLTWQESA-N 1 0 480.992 5.491 50 0 JKAARO Cc1c(C(=O)NCCC[NH+]2CCCCC2)oc2ccc3c(c12)C(=O)C[C@](C)(c1ccc(Cl)cc1)O3 ZINC000020418054 525609413 /nfs/dbraw/zinc/60/94/13/525609413.db2.gz DJEBWPLYDJGIQP-MUUNZHRXSA-N 1 0 495.019 5.881 50 0 JKAARO Cc1c(C(=O)NCCC[N@H+]2CCCC[C@H]2C)oc2c1-c1nn(Cc3cccc(Cl)c3)cc1CC2 ZINC000020490163 525609668 /nfs/dbraw/zinc/60/96/68/525609668.db2.gz OUYYACZENILMNJ-GOSISDBHSA-N 1 0 481.040 5.246 50 0 JKAARO COc1ccc2cc(CN(CC[NH+](C)C)C(=O)CC3CCCC3)c(-c3cccs3)nc2c1 ZINC000012217585 525625297 /nfs/dbraw/zinc/62/52/97/525625297.db2.gz CQYSYBBDUGDXTF-UHFFFAOYSA-N 1 0 451.636 5.442 50 0 JKAARO COc1ccc2cc([C@@H](C)[NH2+]C3CCN(c4ccc(C(=O)NCc5cccnc5)cc4)CC3)ccc2c1 ZINC000014982226 525636091 /nfs/dbraw/zinc/63/60/91/525636091.db2.gz BURWPJWYERAGJB-JOCHJYFZSA-N 1 0 494.639 5.493 50 0 JKAARO COc1ccc2ccccc2c1Cn1cnc2sc3c(c2c1=O)CC[C@@H]([NH2+]C1CCCC1)C3 ZINC000014966554 525652311 /nfs/dbraw/zinc/65/23/11/525652311.db2.gz OBVONQGFEWZXNR-LJQANCHMSA-N 1 0 459.615 5.058 50 0 JKAARO Cc1cc2oc(=O)cc(CN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c2c(C)c1Cl ZINC000020502504 525690188 /nfs/dbraw/zinc/69/01/88/525690188.db2.gz AWIIKTGNEZHCRT-UHFFFAOYSA-N 1 0 473.016 5.970 50 0 JKAARO Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1cccc(Oc2ccccc2)c1)N(CCC[NH+](C)C)C3=O ZINC000016749832 525692011 /nfs/dbraw/zinc/69/20/11/525692011.db2.gz BYNNTCNAKYYKJZ-MHZLTWQESA-N 1 0 482.580 5.699 50 0 JKAARO COc1cccc(-c2cc3c(c(OC)c2)OCC[N@@H+]([C@@H](C)Cc2ccccc2F)C3)c1OC ZINC000014991816 525710892 /nfs/dbraw/zinc/71/08/92/525710892.db2.gz LHBVKJBKKMAOQA-SFHVURJKSA-N 1 0 451.538 5.344 50 0 JKAARO Cc1ccc(-c2cc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)c3cccc(C)c3n2)cc1C ZINC000020418362 525723151 /nfs/dbraw/zinc/72/31/51/525723151.db2.gz PTWBBCZRPBUXJG-UHFFFAOYSA-N 1 0 463.625 6.221 50 0 JKAARO Cc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)OC[C@H]4CCC[N@@H+]5CCCC[C@H]45)c3n2)cc1 ZINC000012461954 525731954 /nfs/dbraw/zinc/73/19/54/525731954.db2.gz CEBFMSUINKFTEF-WIYYLYMNSA-N 1 0 472.511 5.145 50 0 JKAARO Cc1ccc(-c2cc3c(c(OC[C@H]4CCC[N@@H+](C)C4)c2)OCCN(Cc2ccccn2)C3)s1 ZINC000014879911 525740902 /nfs/dbraw/zinc/74/09/02/525740902.db2.gz MPENQEKTJNAPLD-NRFANRHFSA-N 1 0 463.647 5.234 50 0 JKAARO COc1cccc(-n2c(SC[C@H]3CCCO3)nnc2C2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000012246844 525748299 /nfs/dbraw/zinc/74/82/99/525748299.db2.gz IVZRXFSFRPOPJK-RUZDIDTESA-N 1 0 478.662 5.235 50 0 JKAARO COc1cccc(-n2c(SC[C@@H]3CCCO3)nnc2C2CC[NH+](C/C=C/c3ccccc3)CC2)c1 ZINC000012248165 525748320 /nfs/dbraw/zinc/74/83/20/525748320.db2.gz VGBWVJAVWNMWNY-JORPFSLRSA-N 1 0 490.673 5.440 50 0 JKAARO COc1cccc(-n2c(SC[C@@H]3CCCO3)nnc2C2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000012247080 525748574 /nfs/dbraw/zinc/74/85/74/525748574.db2.gz BTRPJBFMKCKKRD-DEOSSOPVSA-N 1 0 499.080 5.580 50 0 JKAARO COc1cccc(-n2c(SC[C@@H]3CCCO3)nnc2C2CC[NH+](Cc3cc(C)ccc3C)CC2)c1 ZINC000014977085 525748671 /nfs/dbraw/zinc/74/86/71/525748671.db2.gz LWXZZQSYERYQFG-SANMLTNESA-N 1 0 492.689 5.543 50 0 JKAARO COc1cccc(-n2c(SC[C@H]3CCCO3)nnc2C2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000012247081 525748944 /nfs/dbraw/zinc/74/89/44/525748944.db2.gz BTRPJBFMKCKKRD-XMMPIXPASA-N 1 0 499.080 5.580 50 0 JKAARO COc1cccc(-n2c(SC[C@H]3CCCO3)nnc2C2CC[NH+](Cc3sccc3C)CC2)c1 ZINC000012247478 525749103 /nfs/dbraw/zinc/74/91/03/525749103.db2.gz AKAFUJFZVSYIAF-JOCHJYFZSA-N 1 0 484.691 5.297 50 0 JKAARO COc1cccc(-n2c(SC[C@H]3CCCO3)nnc2C2CC[NH+](C/C=C/c3ccccc3)CC2)c1 ZINC000012248166 525749357 /nfs/dbraw/zinc/74/93/57/525749357.db2.gz VGBWVJAVWNMWNY-LHAVAQOQSA-N 1 0 490.673 5.440 50 0 JKAARO Cc1ccc(-c2cccc3c(C(=O)NCCC[NH+]4CCN(c5ccccc5)CC4)cc(C)nc23)cc1 ZINC000033036974 525756973 /nfs/dbraw/zinc/75/69/73/525756973.db2.gz NHOOLLRBQYSKIL-UHFFFAOYSA-N 1 0 478.640 5.461 50 0 JKAARO Cc1ccc([C@@H](CNC(=O)c2oc3ccc(Br)cc3c2C)[NH+]2CCC(C)CC2)o1 ZINC000021659828 525761610 /nfs/dbraw/zinc/76/16/10/525761610.db2.gz HJDBUCVYGQNSGD-LJQANCHMSA-N 1 0 459.384 5.608 50 0 JKAARO Cc1ccc(-c2nc3nc(-c4ccccc4)oc3c(N3CC[NH+](CCc4ccccn4)CC3)n2)cc1 ZINC000041155215 525826720 /nfs/dbraw/zinc/82/67/20/525826720.db2.gz JYNPGWRJOBWBRI-UHFFFAOYSA-N 1 0 476.584 5.020 50 0 JKAARO Cc1ccc(-c2nccc(Oc3ccc(C(=O)NC4CC[NH+](Cc5ccccc5)CC4)cc3)n2)cc1 ZINC000065063241 525835696 /nfs/dbraw/zinc/83/56/96/525835696.db2.gz ZOJLBZMQRUPOCQ-UHFFFAOYSA-N 1 0 478.596 5.639 50 0 JKAARO Cc1ccsc1C[NH+]1CCC([C@@H](Cc2ccccc2)N(C(=O)c2ccccn2)C2CC2)CC1 ZINC000014954446 525845869 /nfs/dbraw/zinc/84/58/69/525845869.db2.gz WIDOBXWKEOWWHT-AREMUKBSSA-N 1 0 459.659 5.580 50 0 JKAARO Cc1ccc(-n2nc3c(c2-c2ccccc2)c(-c2ccccc2)nnc3N2CC[NH+](C)CC2)cc1 ZINC000008453277 525930846 /nfs/dbraw/zinc/93/08/46/525930846.db2.gz NROVIRXLYTWZOQ-UHFFFAOYSA-N 1 0 460.585 5.210 50 0 JKAARO Cc1ccc([C@H](CNC(=O)c2oc3ccc(Br)cc3c2C)[NH+]2CCC(C)CC2)o1 ZINC000021659826 525959350 /nfs/dbraw/zinc/95/93/50/525959350.db2.gz HJDBUCVYGQNSGD-IBGZPJMESA-N 1 0 459.384 5.608 50 0 JKAARO Cc1c2cccc(C)c2oc1-c1noc(C(=O)NCC2CC[NH+](Cc3ccc(Cl)cc3)CC2)n1 ZINC000065010121 525968629 /nfs/dbraw/zinc/96/86/29/525968629.db2.gz DWQJLUZROKZVJM-UHFFFAOYSA-N 1 0 478.980 5.395 50 0 JKAARO CSc1ccc(C[NH+]2CCC([C@@H](Cc3ccccc3)N(C)C(=O)c3ccccn3)CC2)cc1 ZINC000014955438 525989720 /nfs/dbraw/zinc/98/97/20/525989720.db2.gz KTMRWMBDFYXTCU-HHHXNRCGSA-N 1 0 459.659 5.399 50 0 JKAARO CSc1ccc(C[NH+]2CCC([C@H](Cc3ccccc3)N(C)C(=O)c3ccccn3)CC2)cc1 ZINC000014955442 525991648 /nfs/dbraw/zinc/99/16/48/525991648.db2.gz KTMRWMBDFYXTCU-MHZLTWQESA-N 1 0 459.659 5.399 50 0 JKAARO COc1cccc(C[NH2+][C@H]2CCc3c(sc4ncn(Cc5cc6ccccc6s5)c(=O)c34)C2)c1 ZINC000020295008 526038862 /nfs/dbraw/zinc/03/88/62/526038862.db2.gz WFBBBABATRCDQN-IBGZPJMESA-N 1 0 487.650 5.377 50 0 JKAARO Cc1ccc(C(=O)N(c2ccc(F)cc2)C2CC[NH+](Cc3cccc(Oc4ccccc4)c3)CC2)cc1 ZINC000034682641 526076015 /nfs/dbraw/zinc/07/60/15/526076015.db2.gz MNPNUZCMJXMZJR-UHFFFAOYSA-N 1 0 494.610 7.238 50 0 JKAARO C[C@@H](c1ccccc1)N(Cc1nc(C(=O)NCC[NH+](C)C)co1)Cc1ccc(C(C)(C)C)cc1 ZINC000036063900 526089931 /nfs/dbraw/zinc/08/99/31/526089931.db2.gz UCILCWGHNMFOAK-NRFANRHFSA-N 1 0 462.638 5.027 50 0 JKAARO C[C@@H](c1cccs1)[N@H+](C)Cc1cc(-c2ncccn2)ccc1OCC(=O)Nc1ccc2c(c1)CCC2 ZINC000014881803 526143653 /nfs/dbraw/zinc/14/36/53/526143653.db2.gz IWWMJGYSWWVUET-FQEVSTJZSA-N 1 0 498.652 5.904 50 0 JKAARO CSc1ncc(Br)c(C(=O)NC[C@@H](c2ccc(C(C)C)cc2)[NH+]2CCCCC2)n1 ZINC000028292753 526219170 /nfs/dbraw/zinc/21/91/70/526219170.db2.gz AICCOWPKFWJCEY-IBGZPJMESA-N 1 0 477.472 5.041 50 0 JKAARO Cc1ccc(C(=O)Nc2ccc(N3CCC([NH2+]CCc4c[nH]c5ccccc45)CC3)cc2)c(C)c1 ZINC000012508914 526221381 /nfs/dbraw/zinc/22/13/81/526221381.db2.gz MPHFWSZVOFMWCY-UHFFFAOYSA-N 1 0 466.629 5.838 50 0 JKAARO Cc1ccc2ccccc2c1C[NH+]1CCN(c2ncnc3scc(-c4cccs4)c32)CC1 ZINC000020436838 526240081 /nfs/dbraw/zinc/24/00/81/526240081.db2.gz QSSVMKAJENYWNZ-UHFFFAOYSA-N 1 0 456.640 6.204 50 0 JKAARO COc1cccc(Oc2c(C[N@H+](CC(C)C)C[C@H](O)COCC(C)C)c(-c3ccccc3)nn2C)c1 ZINC000036305278 526241167 /nfs/dbraw/zinc/24/11/67/526241167.db2.gz MKURSARHIJJIKW-DEOSSOPVSA-N 1 0 495.664 5.380 50 0 JKAARO Cc1ccc(C)c(-c2nc3ccccc3c(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)c2C)c1 ZINC000020357323 526256207 /nfs/dbraw/zinc/25/62/07/526256207.db2.gz QLVKHYSTJVXREU-UHFFFAOYSA-N 1 0 463.625 6.221 50 0 JKAARO O[C@H](C[NH2+]Cc1ccco1)Cn1c(-c2ccccc2)c(-c2ccccc2)c2ccc3ccccc3c21 ZINC000008432034 526277513 /nfs/dbraw/zinc/27/75/13/526277513.db2.gz RYVUHZJKNGXKGM-AREMUKBSSA-N 1 0 472.588 6.872 50 0 JKAARO O[C@H](COCc1ccco1)C[N@@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146555 526285682 /nfs/dbraw/zinc/28/56/82/526285682.db2.gz JFRHLXCIJCHXCV-LADGPHEKSA-N 1 0 489.399 5.159 50 0 JKAARO O[C@H](COCc1ccccc1)C[N@@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccccc2Cl)=NO1 ZINC000036146031 526286019 /nfs/dbraw/zinc/28/60/19/526286019.db2.gz QHQGHJBLSFZOGI-ZEQRLZLVSA-N 1 0 499.438 5.566 50 0 JKAARO O[C@H](COCc1ccco1)C[N@@H+](Cc1ccccc1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000036146592 526287218 /nfs/dbraw/zinc/28/72/18/526287218.db2.gz DVHMFWPEHCPBRK-UNMCSNQZSA-N 1 0 489.399 5.159 50 0 JKAARO O[C@H](Cc1ccccc1)C[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146321 526296865 /nfs/dbraw/zinc/29/68/65/526296865.db2.gz PBULCHJEXISDOL-RPBOFIJWSA-N 1 0 452.957 5.078 50 0 JKAARO O=C(C1CC[NH+](Cc2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1)N1CCc2ccccc2C1 ZINC000046055483 526303353 /nfs/dbraw/zinc/30/33/53/526303353.db2.gz VCLYOBPNBPKDAU-UHFFFAOYSA-N 1 0 498.070 6.140 50 0 JKAARO S=C(Nc1ccc(Oc2ccccc2)cc1)N(CCC[NH+]1CCCCCC1)Cc1ccco1 ZINC000020107703 526385854 /nfs/dbraw/zinc/38/58/54/526385854.db2.gz HHXMPMJOTBCGAO-UHFFFAOYSA-N 1 0 463.647 6.537 50 0 JKAARO Fc1ccccc1C[NH+]1CCC(c2nnc(SC[C@@H]3CCCO3)n2Cc2ccccc2)CC1 ZINC000014956246 526410023 /nfs/dbraw/zinc/41/00/23/526410023.db2.gz GKLNZZALDSDDPC-QHCPKHFHSA-N 1 0 466.626 5.116 50 0 JKAARO O=C(NCCc1ccccc1)[C@H]1CC12CC[NH+](Cc1cccc(OCc3ccccc3)c1)CC2 ZINC000014888062 526425524 /nfs/dbraw/zinc/42/55/24/526425524.db2.gz ABGYIKONQKFQBH-MUUNZHRXSA-N 1 0 454.614 5.227 50 0 JKAARO O=C(NCCc1ccccc1F)c1cc2cc(C3(O)CC[NH+](Cc4ccc(F)cc4)CC3)ccc2o1 ZINC000014972099 526431113 /nfs/dbraw/zinc/43/11/13/526431113.db2.gz RZZGZOFLGYNNNT-UHFFFAOYSA-N 1 0 490.550 5.167 50 0 JKAARO c1ccc(CCCC2([PH+](C3CCCCC3)C3CCCCC3)c3ccccc3-c3ccccc32)cc1 ZINC000071769598 526463449 /nfs/dbraw/zinc/46/34/49/526463449.db2.gz GXSYWEODAPRRHM-UHFFFAOYSA-N 1 0 480.676 10.081 50 0 JKAARO O=C(NC[C@@H](c1cccs1)[NH+]1CCCCC1)c1cc(-c2ccc(Br)cc2)on1 ZINC000021805253 526494749 /nfs/dbraw/zinc/49/47/49/526494749.db2.gz GYMQQZLCFIEEAB-SFHVURJKSA-N 1 0 460.397 5.123 50 0 JKAARO O=C(CC[N@@H+]1Cc2ccccc2O[C@@H](c2ccccc2F)C1)N1CCCC[C@@H]1c1cccnc1 ZINC000014992037 526496640 /nfs/dbraw/zinc/49/66/40/526496640.db2.gz WSNTXTHLXWKACR-XNMGPUDCSA-N 1 0 459.565 5.300 50 0 JKAARO O=C([C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1)N1CCC([NH+]2CCCCC2)CC1 ZINC000020508653 526517950 /nfs/dbraw/zinc/51/79/50/526517950.db2.gz NHGHLROGSGDUJH-SXOMAYOGSA-N 1 0 491.701 5.448 50 0 JKAARO Cc1nc(-c2ccc(C)cc2)sc1C(=O)N1CCC(CC(=O)NCCC[NH+]2CCCCCC2)CC1 ZINC000065006399 526566958 /nfs/dbraw/zinc/56/69/58/526566958.db2.gz VKCBOVCCXJZYNE-UHFFFAOYSA-N 1 0 496.721 5.052 50 0 JKAARO O=C(NC[C@H](c1cccs1)[NH+]1CCCCC1)c1cc(-c2ccc(Br)cc2)on1 ZINC000021805250 526582240 /nfs/dbraw/zinc/58/22/40/526582240.db2.gz GYMQQZLCFIEEAB-GOSISDBHSA-N 1 0 460.397 5.123 50 0 JKAARO O=C(NCc1cccc(F)c1)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccccc2Cl)CC1 ZINC000046055758 526717291 /nfs/dbraw/zinc/71/72/91/526717291.db2.gz DVSFFDROOUJBDL-UHFFFAOYSA-N 1 0 490.022 6.011 50 0 JKAARO Cc1oc(-c2ccc(Cl)cc2)nc1C[N@@H+]1CCC[C@@H](C(=O)NCCc2ccc(Cl)cc2)C1 ZINC000008597742 526731700 /nfs/dbraw/zinc/73/17/00/526731700.db2.gz IQWABADJDZIGGB-HXUWFJFHSA-N 1 0 472.416 5.528 50 0 JKAARO O=C(NCc1ccccc1)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccccc2Cl)CC1 ZINC000046055681 526732194 /nfs/dbraw/zinc/73/21/94/526732194.db2.gz SIBQHKIGBSIGOR-UHFFFAOYSA-N 1 0 472.032 5.871 50 0 JKAARO Cc1oc(-c2cccc(Cl)c2)nc1C[NH+]1CCC(C(=O)NCCc2ccc(Cl)cc2)CC1 ZINC000008597670 526734655 /nfs/dbraw/zinc/73/46/55/526734655.db2.gz RZVFJQZYZGACBV-UHFFFAOYSA-N 1 0 472.416 5.528 50 0 JKAARO O=C(NCc1ccccc1F)C1CC[NH+](Cc2cc3ccccc3n2Cc2cccc(Cl)c2)CC1 ZINC000008602120 526749461 /nfs/dbraw/zinc/74/94/61/526749461.db2.gz UCWXEYNRTKGIEH-UHFFFAOYSA-N 1 0 490.022 6.011 50 0 aggregator JKAARO O=C(NCc1ccco1)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1 ZINC000046055503 526774777 /nfs/dbraw/zinc/77/47/77/526774777.db2.gz ZJWWTXXXCSQSPF-UHFFFAOYSA-N 1 0 461.993 5.464 50 0 JKAARO O=C(c1ccccn1)N([C@@H](Cc1ccccc1)C1CC[NH+](Cc2ccccc2F)CC1)C1CC1 ZINC000014993921 526813736 /nfs/dbraw/zinc/81/37/36/526813736.db2.gz HKYDPLUICILDAD-NDEPHWFRSA-N 1 0 457.593 5.349 50 0 JKAARO O=C(c1ccco1)N1CCC[C@H](COc2ccc(C[NH+]3CCC(c4ccccc4)CC3)cc2)C1 ZINC000012282465 526828365 /nfs/dbraw/zinc/82/83/65/526828365.db2.gz CGAKWVWNTOWMGA-DEOSSOPVSA-N 1 0 458.602 5.590 50 0 JKAARO Cc1sc(NC(=O)c2cccs2)c([C@@H](c2ccc3c(c2)OCO3)[NH+]2CCC(C)CC2)c1C ZINC000038546714 526884361 /nfs/dbraw/zinc/88/43/61/526884361.db2.gz HWMMERAAQFCDER-HSZRJFAPSA-N 1 0 468.644 6.229 50 0 JKAARO Clc1ccc(COc2ccc3ccccc3c2C[NH2+]Cc2ccccc2Cl)c(Cl)c1 ZINC000016525997 526950849 /nfs/dbraw/zinc/95/08/49/526950849.db2.gz QGGWACKGCNBMFD-UHFFFAOYSA-N 1 0 456.800 7.669 50 0 JKAARO Clc1ccc(COc2ccc(Br)cc2C[NH2+]C2CCCCCC2)c(Cl)c1 ZINC000016384981 526951383 /nfs/dbraw/zinc/95/13/83/526951383.db2.gz RADYVJRDVYTDSI-UHFFFAOYSA-N 1 0 457.239 7.147 50 0 JKAARO O=C1C[C@H](N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C(=O)N1c1cccc(Cl)c1Cl ZINC000022782162 527027070 /nfs/dbraw/zinc/02/70/70/527027070.db2.gz IXLSIFKAPLUFCJ-QHCPKHFHSA-N 1 0 494.422 5.033 50 0 JKAARO O=C(N[C@H]1CCCc2ccccc21)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccccc2)CC1 ZINC000046055457 527039735 /nfs/dbraw/zinc/03/97/35/527039735.db2.gz DWYPYNOCKVLDGP-PMERELPUSA-N 1 0 477.652 6.095 50 0 JKAARO Cc1nc([C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H]([NH2+]Cc2cccc(Cl)c2)C4)cs1 ZINC000020451075 527069745 /nfs/dbraw/zinc/06/97/45/527069745.db2.gz VUOOKPZGBNZKRE-GUYCJALGSA-N 1 0 471.051 5.133 50 0 JKAARO O=C(Nc1ccc(Cl)cc1)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccccc2Cl)CC1 ZINC000046055687 527177243 /nfs/dbraw/zinc/17/72/43/527177243.db2.gz MSDSYHVUPDWLCY-UHFFFAOYSA-N 1 0 492.450 6.847 50 0 JKAARO Cn1cc(C[NH+]2CCC(CCC(=O)NCc3cccc(Cl)c3)CC2)c(-c2ccccc2)n1 ZINC000012387356 527196940 /nfs/dbraw/zinc/19/69/40/527196940.db2.gz LOEJNIFRBVRBHY-UHFFFAOYSA-N 1 0 451.014 5.049 50 0 JKAARO O=C(Nc1ccc(F)cc1)[C@@H]1C[C@H](C(=O)N2CCCCC2)C[N@H+](Cc2ccc3ccccc3c2)C1 ZINC000014732648 527202886 /nfs/dbraw/zinc/20/28/86/527202886.db2.gz YLBVEROVOWXUSG-RPBOFIJWSA-N 1 0 473.592 5.068 50 0 JKAARO O=C(Nc1ccc(N2CCC([NH2+][C@H](CCn3ccnc3)c3ccccc3)CC2)cc1)C1CCCC1 ZINC000012245730 527220940 /nfs/dbraw/zinc/22/09/40/527220940.db2.gz FGQGYWILSVYNHD-MUUNZHRXSA-N 1 0 471.649 5.402 50 0 JKAARO O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc(C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000016480461 527249114 /nfs/dbraw/zinc/24/91/14/527249114.db2.gz DLQCJZSBSBCBPR-UHFFFAOYSA-N 1 0 477.608 5.840 50 0 JKAARO O=C(Nc1cccc(N2CCC([NH2+]CC(c3ccccc3)c3ccccc3)CC2)c1)c1ccncc1 ZINC000014979835 527356950 /nfs/dbraw/zinc/35/69/50/527356950.db2.gz RLPWWMSTGWSFNQ-UHFFFAOYSA-N 1 0 476.624 5.724 50 0 JKAARO O=C(Cn1cccc1-c1nc(-c2ccc(Cl)cc2)cs1)N1CCC([NH+]2CCCCC2)CC1 ZINC000021656871 527383250 /nfs/dbraw/zinc/38/32/50/527383250.db2.gz ZCMQMYSHIPTTOV-UHFFFAOYSA-N 1 0 469.054 5.409 50 0 JKAARO O=C(Nc1ccccc1F)C1CC[NH+](Cc2cc3ccccc3n2Cc2cccc(Cl)c2)CC1 ZINC000046055598 527419232 /nfs/dbraw/zinc/41/92/32/527419232.db2.gz WUVFKDSAGAZJFH-UHFFFAOYSA-N 1 0 475.995 6.333 50 0 JKAARO O=c1c2c(ncn1CCCc1ccccc1)sc1c2CC[C@@H]([NH2+]Cc2ccc(F)c(F)c2)C1 ZINC000014982369 527456137 /nfs/dbraw/zinc/45/61/37/527456137.db2.gz RHIMSIGWMDPGMG-LJQANCHMSA-N 1 0 465.569 5.016 50 0 JKAARO O=C(NC1CCCCC1)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1 ZINC000046055542 527512589 /nfs/dbraw/zinc/51/25/89/527512589.db2.gz MPSCBQPHIUOBIY-UHFFFAOYSA-N 1 0 464.053 6.004 50 0 JKAARO O=C(NC1CCCCCCC1)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1 ZINC000046055499 527520655 /nfs/dbraw/zinc/52/06/55/527520655.db2.gz RRDHKUFMUDTZQY-UHFFFAOYSA-N 1 0 492.107 6.784 50 0 JKAARO OCC1(Cc2cccc(C(F)(F)F)c2)CC[NH+](Cc2cnn(-c3ccc(Cl)cc3)c2)CC1 ZINC000012386130 527524083 /nfs/dbraw/zinc/52/40/83/527524083.db2.gz HHRWRBLTGZUASY-UHFFFAOYSA-N 1 0 463.931 5.362 50 0 JKAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc2c(c1)sc1nc(-c3ccccc3)cn21 ZINC000020490378 527531449 /nfs/dbraw/zinc/53/14/49/527531449.db2.gz VCOCHRPFKLSXJQ-UHFFFAOYSA-N 1 0 466.610 5.610 50 0 JKAARO Cn1nc(-c2ccccc2)c(C[N@H+](C[C@H](O)Cc2ccccc2)C2CC2)c1Oc1ccc(Cl)cc1 ZINC000036305125 527538583 /nfs/dbraw/zinc/53/85/83/527538583.db2.gz IOBHMSHZMWQYCM-RUZDIDTESA-N 1 0 488.031 6.101 50 0 JKAARO Cn1nc(-c2ccccc2)c(C[N@H+](C[C@H](O)COC(C)(C)C)C[C@@H]2CCCO2)c1Oc1ccccc1 ZINC000036308311 527538672 /nfs/dbraw/zinc/53/86/72/527538672.db2.gz WMNYBFHKXSIINF-ZCYQVOJMSA-N 1 0 493.648 5.036 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1C[N@H+](C[C@H](O)COC(C)C)CC1CC1 ZINC000036304258 527548341 /nfs/dbraw/zinc/54/83/41/527548341.db2.gz HBOCDSWJKLFJOM-QHCPKHFHSA-N 1 0 485.575 5.249 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@H+](C[C@@H](O)COCC(C)C)CC1CC1 ZINC000036308664 527550073 /nfs/dbraw/zinc/55/00/73/527550073.db2.gz BILJLIQVKHDTIA-RUZDIDTESA-N 1 0 463.622 5.219 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1C[N@@H+](C[C@H](O)COC(C)(C)C)C(C)C ZINC000036304765 527550626 /nfs/dbraw/zinc/55/06/26/527550626.db2.gz FSANNWXHHGMJLU-DEOSSOPVSA-N 1 0 465.638 5.668 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2ccccc2Cl)c1C[N@H+](C[C@@H](O)COC(C)(C)C)CC1CC1 ZINC000036303608 527550952 /nfs/dbraw/zinc/55/09/52/527550952.db2.gz LWXXCYMDIHWFQF-HSZRJFAPSA-N 1 0 498.067 6.014 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1C[N@@H+](C[C@@H](O)COCC(C)C)C(C)C ZINC000036304758 527551172 /nfs/dbraw/zinc/55/11/72/527551172.db2.gz KCCBAJSOTCMNBK-RUZDIDTESA-N 1 0 465.638 5.525 50 0 JKAARO O=C(NCC1(c2ccccc2)CCCC1)[C@@H]1CC12CC[NH+](Cc1ccc(O)c(Cl)c1)CC2 ZINC000014881438 527584698 /nfs/dbraw/zinc/58/46/98/527584698.db2.gz NBUAODJGHRUUEZ-QFIPXVFZSA-N 1 0 453.026 5.276 50 0 JKAARO O=C(NCC1CC[NH+](CCc2ccc(F)cc2)CC1)c1cc(-c2ccccn2)nc2ccccc21 ZINC000033267245 527608841 /nfs/dbraw/zinc/60/88/41/527608841.db2.gz GOQORLZUFRUTQP-UHFFFAOYSA-N 1 0 468.576 5.120 50 0 JKAARO O=C(NCCC(c1ccccc1)c1ccccc1)[C@@H]1CC12CC[NH+](Cc1cc3ccccc3[nH]1)CC2 ZINC000012338100 527618227 /nfs/dbraw/zinc/61/82/27/527618227.db2.gz DQMYOSAGBNJBHO-LJAQVGFWSA-N 1 0 477.652 6.108 50 0 JKAARO O=C(NCCC(c1ccccc1)c1ccccc1)[C@H]1CC12CC[NH+](Cc1cccc3ncccc13)CC2 ZINC000020272617 527618981 /nfs/dbraw/zinc/61/89/81/527618981.db2.gz BBLFJNVCGLAZMM-SSEXGKCCSA-N 1 0 489.663 6.175 50 0 JKAARO O=C(NCCC1=CCCCC1)C1CC[NH+](Cc2cc3ccccc3n2Cc2cccc(F)c2)CC1 ZINC000046056057 527622140 /nfs/dbraw/zinc/62/21/40/527622140.db2.gz ZKDARZNJXHDMGP-UHFFFAOYSA-N 1 0 473.636 6.047 50 0 JKAARO O=C(/C=C/c1ccccc1)N(Cc1cccc(F)c1)c1ccc(CC(=O)NCC[NH+]2CCCCC2)cc1 ZINC000034680007 527630144 /nfs/dbraw/zinc/63/01/44/527630144.db2.gz BTJSZHOXKQHYDB-SAPNQHFASA-N 1 0 499.630 5.217 50 0 JKAARO O=C(NCCC[N@H+](CCc1ccccc1)Cc1ccco1)c1ccc2nc(Cc3ccccc3)oc2c1 ZINC000064968010 527657904 /nfs/dbraw/zinc/65/79/04/527657904.db2.gz QGDGXEPVFDRQPV-UHFFFAOYSA-N 1 0 493.607 5.876 50 0 JKAARO O[C@@H](Cc1ccccc1)C[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146320 527664156 /nfs/dbraw/zinc/66/41/56/527664156.db2.gz PBULCHJEXISDOL-DQEYMECFSA-N 1 0 452.957 5.078 50 0 JKAARO O=C(NCCC[NH+]1CCCCC1)c1ccc(Cn2c(SCc3ccccc3)nc3cccnc32)cc1 ZINC000008912933 527664597 /nfs/dbraw/zinc/66/45/97/527664597.db2.gz UGUDTPWTNDXRBF-UHFFFAOYSA-N 1 0 499.684 5.378 50 0 JKAARO O=C(NCCC[NH+]1CCCCC1)c1cccc([C@@H]2CCCN(C(=O)Nc3ccc(Cl)cc3)C2)c1 ZINC000033035462 527664984 /nfs/dbraw/zinc/66/49/84/527664984.db2.gz FRLKZWNURTYGRR-HSZRJFAPSA-N 1 0 483.056 5.357 50 0 JKAARO O=C(NCCC[NH+]1CCCCCC1)c1ccc(Oc2nccnc2Sc2ccc(Cl)cc2)cc1 ZINC000033139908 527665887 /nfs/dbraw/zinc/66/58/87/527665887.db2.gz DIMAUDIOKLGKHK-UHFFFAOYSA-N 1 0 497.064 6.069 50 0 JKAARO O=C(NCCC[NH+]1CCCCCC1)c1cccc([C@@H]2CCCN(C(=O)Nc3ccccc3)C2)c1 ZINC000033035773 527666001 /nfs/dbraw/zinc/66/60/01/527666001.db2.gz WITZWFHLBMYXNH-RUZDIDTESA-N 1 0 462.638 5.094 50 0 JKAARO FC(F)(F)c1cc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c2cccc(Cl)c2n1 ZINC000020443816 527680425 /nfs/dbraw/zinc/68/04/25/527680425.db2.gz SSUUNYBWVJGFCQ-UHFFFAOYSA-N 1 0 481.949 6.819 50 0 JKAARO CC[C@@H](C(=O)NCC[NH+]1CCCC1)n1c(Cc2ccccc2)nc2cc(Cl)c(Cl)cc21 ZINC000096291174 535412086 /nfs/dbraw/zinc/41/20/86/535412086.db2.gz PSULSSYNOOXGRF-NRFANRHFSA-N 1 0 459.421 5.097 50 0 JKAARO COc1ccccc1CCNC(=O)[C@@H]1C[C@H](c2ccc(F)c(C)c2)C[N@H+](Cc2ccccc2Cl)C1 ZINC000096247535 537037862 /nfs/dbraw/zinc/03/78/62/537037862.db2.gz OSKHREIGMMQWBW-LOSJGSFVSA-N 1 0 495.038 5.761 50 0 JKAARO Cc1nc2sccn2c(=O)c1CC[NH+]1CCC(=C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000000538314 553711106 /nfs/dbraw/zinc/71/11/06/553711106.db2.gz JUQLTPCYUFPYKE-UHFFFAOYSA-N 1 0 477.580 5.483 50 0 investigational JKAARO COc1ccc(NC(=O)c2ccc(-c3ccc(-c4noc(C)n4)cc3C)cc2)cc1N1CC[NH+](C)CC1 ZINC000000598509 553711384 /nfs/dbraw/zinc/71/13/84/553711384.db2.gz YDBCEBYHYKAFRX-UHFFFAOYSA-N 1 0 497.599 5.033 50 0 in-vitro JKAARO CC[NH+](CC)C[C@H](O)Cn1c2ccc(Br)cc2c2cc(Br)ccc21 ZINC000000626492 553714639 /nfs/dbraw/zinc/71/46/39/553714639.db2.gz AHLOLDXAJANKQP-HNNXBMFYSA-N 1 0 454.206 5.022 50 0 JKAARO COc1ccccc1[C@H]1Oc2ccccc2C2=C1[C@H](c1ccc(Br)cc1)N1NC=NC1=N2 ZINC000000638014 553722146 /nfs/dbraw/zinc/72/21/46/553722146.db2.gz KGSBSEOZVAQGOR-BJKOFHAPSA-N 1 0 487.357 5.262 50 0 JKAARO O[C@@H](Cn1c2ccc(Br)cc2c2cc(Br)ccc21)C[NH+]1CCCCCC1 ZINC000000642143 553724219 /nfs/dbraw/zinc/72/42/19/553724219.db2.gz ZIOYWGCSOXUXSD-QGZVFWFLSA-N 1 0 480.244 5.556 50 0 JKAARO Cc1c(C(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)c(-c2ccccc2)nn1-c1ccccc1 ZINC000000653592 553734183 /nfs/dbraw/zinc/73/41/83/553734183.db2.gz PJFIJMVFVUTOTO-UHFFFAOYSA-N 1 0 450.586 6.086 50 0 JKAARO Cc1cc(Oc2coc3cc(OC[C@@H](O)C[NH+]4CCCCCC4)ccc3c2=O)cc(C)c1Cl ZINC000001522261 553978004 /nfs/dbraw/zinc/97/80/04/553978004.db2.gz NRQFJANRLICWQL-IBGZPJMESA-N 1 0 471.981 5.471 50 0 JKAARO COc1ccccc1-c1c2c([n+](-c3ccccc3)c3c1C(=O)CC(C)(C)C3)CC(C)(C)CC2=O ZINC000001772105 553986914 /nfs/dbraw/zinc/98/69/14/553986914.db2.gz ATERZXPVOLZISQ-UHFFFAOYSA-N 1 0 454.590 5.949 50 0 JKAARO Cc1sc(NC(=O)c2ccco2)c([C@@H](c2ccccc2)[NH+]2CCC(Cc3ccccc3)CC2)c1C ZINC000001796977 553991093 /nfs/dbraw/zinc/99/10/93/553991093.db2.gz JBVPXFKEWCMITN-MUUNZHRXSA-N 1 0 484.665 7.254 50 0 JKAARO Cc1sc(NC(=O)c2ccco2)c([C@H](c2ccccc2)[NH+]2CCC(Cc3ccccc3)CC2)c1C ZINC000001796980 553991142 /nfs/dbraw/zinc/99/11/42/553991142.db2.gz JBVPXFKEWCMITN-NDEPHWFRSA-N 1 0 484.665 7.254 50 0 JKAARO Cc1cc(C)cc(Oc2coc3cc(OC[C@@H](O)C[N@@H+](C)Cc4ccccc4)ccc3c2=O)c1 ZINC000001810998 553992303 /nfs/dbraw/zinc/99/23/03/553992303.db2.gz WSVWAQVQGFAFDK-QFIPXVFZSA-N 1 0 459.542 5.074 50 0 JKAARO COc1ccc([C@H]2[NH2+]CCc3c4ccccc4[nH]c32)cc1CN1CCc2cc(OC)c(OC)cc2[C@H]1C ZINC000002109398 554048979 /nfs/dbraw/zinc/04/89/79/554048979.db2.gz FAHCSUHPPAUHAJ-HZAQMHFWSA-N 1 0 497.639 5.548 50 0 JKAARO CC1(C)CC(NC(=O)c2cc3c4ccccc4[nH]c3c(-c3ccc4c(c3)OCO4)n2)CC(C)(C)[NH2+]1 ZINC000002126842 554058601 /nfs/dbraw/zinc/05/86/01/554058601.db2.gz PWMKFJBBYBNLQL-UHFFFAOYSA-N 1 0 470.573 5.151 50 0 biogenic JKAARO Cc1ccc(-c2nc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc3c4ccccc4[nH]c32)cc1 ZINC000002130457 554060350 /nfs/dbraw/zinc/06/03/50/554060350.db2.gz HMEOCKCLFCRALX-UHFFFAOYSA-N 1 0 474.608 6.086 50 0 biogenic JKAARO COc1ccc(-c2nc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc3c4ccccc4[nH]c32)cc1 ZINC000002138484 554063217 /nfs/dbraw/zinc/06/32/17/554063217.db2.gz YQSUORQBPACQSV-UHFFFAOYSA-N 1 0 490.607 5.786 50 0 biogenic JKAARO CCOC(=O)c1c2cc(OC)c(Br)cc2n(-c2ccccc2)c1C[N@@H+]1CCCC[C@@H]1C ZINC000002192333 554087422 /nfs/dbraw/zinc/08/74/22/554087422.db2.gz BJDDTLCRMPWATN-KRWDZBQOSA-N 1 0 485.422 5.953 50 0 JKAARO CCOC(=O)c1c2cc(OC)c(Br)cc2n(-c2ccccc2)c1C[NH2+]C1CCCCC1 ZINC000002202297 554091665 /nfs/dbraw/zinc/09/16/65/554091665.db2.gz BWCUXEQOGHQVCQ-UHFFFAOYSA-N 1 0 485.422 6.001 50 0 JKAARO COc1ccc(/C=C2\c3ccccc3-c3ccc(C(=O)CCCC[NH+]4CCCCC4)cc32)cc1OC ZINC000002227491 554104124 /nfs/dbraw/zinc/10/41/24/554104124.db2.gz ZGWIGGITTAKIII-VFCFBJKWSA-N 1 0 481.636 7.112 50 0 JKAARO O[C@H](C[NH2+]C1CCCCC1)Cn1c(-c2ccccc2)c(-c2ccccc2)c2ccc3ccccc3c21 ZINC000002294055 554136807 /nfs/dbraw/zinc/13/68/07/554136807.db2.gz YCYHZTQIPOEUIX-MUUNZHRXSA-N 1 0 474.648 7.412 50 0 JKAARO Cc1nn2c(nc3c(c2N2CC[NH+](Cc4ccc(C)cc4C)CC2)CCC3)c1-c1ccccc1 ZINC000002328813 554150349 /nfs/dbraw/zinc/15/03/49/554150349.db2.gz YFWFFEQUDRYYQM-UHFFFAOYSA-N 1 0 451.618 5.132 50 0 JKAARO CSc1nc2c(sc3nc(-c4ccccc4)c4c(c32)CC(C)(C)OC4)c(NCCC[NH+](C)C)n1 ZINC000002375174 554173120 /nfs/dbraw/zinc/17/31/20/554173120.db2.gz BQIRXKGUIAALFZ-UHFFFAOYSA-N 1 0 493.702 5.843 50 0 JKAARO CCCCc1nc2sc3c(nc(SC)nc3NCCC[NH+](CC)CC)c2c2c1CCC2 ZINC000002398074 554183842 /nfs/dbraw/zinc/18/38/42/554183842.db2.gz OEFWTGWWWCOUSQ-UHFFFAOYSA-N 1 0 457.713 5.937 50 0 JKAARO CCc1cc([C@H](c2ccc(SC)cc2)[NH+]2CCC(C)CC2)c(NC(=O)c2ccccc2)s1 ZINC000002551839 554235413 /nfs/dbraw/zinc/23/54/13/554235413.db2.gz OAWPJRLFONLYJG-VWLOTQADSA-N 1 0 464.700 7.106 50 0 JKAARO Cc1ccc(Cl)cc1N1CC[NH+](CCC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC000002585728 554238258 /nfs/dbraw/zinc/23/82/58/554238258.db2.gz XFUXMUHQYKBCJD-UHFFFAOYSA-N 1 0 493.879 5.837 50 0 JKAARO COc1ccc([C@H]2[NH2+]C[C@H](c3ccccc3)c3c4ccccc4[nH]c32)cc1OCc1ccccc1 ZINC000002624968 554248731 /nfs/dbraw/zinc/24/87/31/554248731.db2.gz KWRPUAOQVCRDMV-FYBSXPHGSA-N 1 0 460.577 6.580 50 0 JKAARO CCc1cccc(CC)c1-n1c(SCC[NH2+]CCO)nnc1-c1ccc(Cl)cc1Cl ZINC000002638945 554258885 /nfs/dbraw/zinc/25/88/85/554258885.db2.gz VSFXQBGEUKIPJC-UHFFFAOYSA-N 1 0 465.450 5.040 50 0 JKAARO O=C([C@@H]1CCC[N@@H+](Cc2cccc(Br)c2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000002734917 554318811 /nfs/dbraw/zinc/31/88/11/554318811.db2.gz PPWMVZLWOMZRIF-HSZRJFAPSA-N 1 0 455.440 5.142 50 0 JKAARO C[NH+](C)CCCNC(=O)c1cc(-c2ccc(C(C)(C)C)cc2)nc2ccc(Br)cc21 ZINC000002773464 554338088 /nfs/dbraw/zinc/33/80/88/554338088.db2.gz BSZMTXBZKBJRRG-UHFFFAOYSA-N 1 0 468.439 5.643 50 0 JKAARO COc1ccc(OC)c(-c2cc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)c3ccccc3n2)c1 ZINC000002774103 554338492 /nfs/dbraw/zinc/33/84/92/554338492.db2.gz IRFBAJIFLNEZRY-UHFFFAOYSA-N 1 0 481.596 5.313 50 0 JKAARO CCn1c2ccccc2c2cc(C[NH+]3CCC(N4CCN(c5ccccc5OC)CC4)CC3)ccc21 ZINC000002784753 554343552 /nfs/dbraw/zinc/34/35/52/554343552.db2.gz USXGAOAOPOKNPA-UHFFFAOYSA-N 1 0 482.672 5.610 50 0 JKAARO CCn1c2ccccc2c2cc(C[NH+]3CCC(N4CCN(c5ccccc5)CC4)CC3)ccc21 ZINC000002786813 554344845 /nfs/dbraw/zinc/34/48/45/554344845.db2.gz USVFPHMRRCCBGW-UHFFFAOYSA-N 1 0 452.646 5.601 50 0 JKAARO CC[C@H](C)c1ccc([C@H](C)[NH2+]CC(=O)Nc2nc(-c3ccc(Br)cc3)cs2)cc1 ZINC000002789210 554345751 /nfs/dbraw/zinc/34/57/51/554345751.db2.gz IMWLCLLJQJPIAX-HOTGVXAUSA-N 1 0 472.452 6.375 50 0 JKAARO CC[C@H](C)c1ccc([C@@H](C)[NH2+]CC(=O)Nc2nc(-c3ccc(Br)cc3)cs2)cc1 ZINC000002789208 554345836 /nfs/dbraw/zinc/34/58/36/554345836.db2.gz IMWLCLLJQJPIAX-JKSUJKDBSA-N 1 0 472.452 6.375 50 0 JKAARO COc1cc(C[NH2+]C2CCCCC2)cc(I)c1OCc1ccccc1 ZINC000002863734 554390297 /nfs/dbraw/zinc/39/02/97/554390297.db2.gz SEFUBYGAXDADJD-UHFFFAOYSA-N 1 0 451.348 5.301 50 0 JKAARO CC[NH+](CC)CCCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2[C@H]1c1ccc(C)cc1 ZINC000002890270 554408756 /nfs/dbraw/zinc/40/87/56/554408756.db2.gz SHZBZUBYPZMQGO-JOCHJYFZSA-N 1 0 483.406 5.141 50 0 JKAARO CC[NH+](CC)CCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2[C@H]1c1ccc(Cl)cc1 ZINC000002890380 554409025 /nfs/dbraw/zinc/40/90/25/554409025.db2.gz HUMYQGFWOOGUJS-HXUWFJFHSA-N 1 0 489.797 5.096 50 0 JKAARO CC(C)(C)c1cc(C[NH+]2CCC(O)(c3ccc(Br)cc3)CC2)cc(C(C)(C)C)c1O ZINC000002893998 554409316 /nfs/dbraw/zinc/40/93/16/554409316.db2.gz HELGZVUPGSJPHA-UHFFFAOYSA-N 1 0 474.483 6.233 50 0 JKAARO Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000003366045 554459143 /nfs/dbraw/zinc/45/91/43/554459143.db2.gz QZPWABMRSBGAIG-WUKNDPDISA-N 1 0 476.624 5.642 50 0 JKAARO CCOC(=O)c1c2cc(OC)c(Br)cc2n(-c2ccccc2)c1C[NH+]1CCC(C)CC1 ZINC000005225989 554487683 /nfs/dbraw/zinc/48/76/83/554487683.db2.gz JNSPYRPBEPPOTJ-UHFFFAOYSA-N 1 0 485.422 5.810 50 0 biogenic JKAARO COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC000006288764 554527410 /nfs/dbraw/zinc/52/74/10/554527410.db2.gz HUYTZWSTUHQSFS-UHFFFAOYSA-N 1 0 452.407 5.115 50 0 JKAARO O[C@H](C[NH2+]C1CCCCC1)Cn1c2ccc(Br)cc2c2cc(Br)ccc21 ZINC000006445357 554539703 /nfs/dbraw/zinc/53/97/03/554539703.db2.gz KYRAOOTYQUJTIT-QGZVFWFLSA-N 1 0 480.244 5.603 50 0 JKAARO Cc1ccc2nc(-c3ccc(N4C(=O)C[C@@H]([NH2+][C@H](C)C56CC7CC(CC(C7)C5)C6)C4=O)cc3)sc2c1 ZINC000008414526 554578282 /nfs/dbraw/zinc/57/82/82/554578282.db2.gz IJJLZLDFCWWORM-AAMOTOCMSA-N 1 0 499.680 6.098 50 0 JKAARO CCCOc1ccc(-c2cc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)c3ccccc3n2)cc1 ZINC000008444660 554594260 /nfs/dbraw/zinc/59/42/60/554594260.db2.gz CFCUIOMYCXVCLN-UHFFFAOYSA-N 1 0 479.624 6.085 50 0 JKAARO COc1ccc(-c2csc(N3[NH2+]C(C=Cc4ccccc4O)=C[C@]3(O)C(F)(F)F)n2)cc1 ZINC000008753978 554655700 /nfs/dbraw/zinc/65/57/00/554655700.db2.gz GQSJJJRUCAJTKI-JLXBBBJOSA-N 1 0 461.465 5.055 50 0 JKAARO C[NH+]1CCN(c2ccc(-c3ccc4cc(Br)cc(Br)c4n3)cc2)CC1 ZINC000008782251 554679583 /nfs/dbraw/zinc/67/95/83/554679583.db2.gz UUGBWZRKWQUCLO-UHFFFAOYSA-N 1 0 461.201 5.179 50 0 JKAARO CC(=O)Nc1cc(C(=O)NCCC[NH+](CC(C)C)CC(C)C)ccc1Sc1ccc(C)cc1 ZINC000008811476 554692594 /nfs/dbraw/zinc/69/25/94/554692594.db2.gz UGVDEVLSYWFTSF-UHFFFAOYSA-N 1 0 469.695 5.839 50 0 JKAARO CCCC[N@H+](CCCNC(=O)c1cc(-c2ccc(OCC)cc2)nc2ccccc21)Cc1ccccc1 ZINC000008813072 554695089 /nfs/dbraw/zinc/69/50/89/554695089.db2.gz NZVGQOZXAOXFSQ-UHFFFAOYSA-N 1 0 495.667 6.723 50 0 JKAARO CCOc1ccc(-c2cc(C(=O)NCC[NH+]3CCC(Cc4ccccc4)CC3)c3ccccc3n2)cc1 ZINC000008813047 554695133 /nfs/dbraw/zinc/69/51/33/554695133.db2.gz VOUIMFGVVIGUFN-UHFFFAOYSA-N 1 0 493.651 5.985 50 0 JKAARO CCC[NH+](CCC)CCCNC(=O)c1cc(Nc2ccc(OC)cc2OC)nc2ccccc21 ZINC000008814228 554696496 /nfs/dbraw/zinc/69/64/96/554696496.db2.gz DFFQYBLPLKUGMR-UHFFFAOYSA-N 1 0 464.610 5.238 50 0 JKAARO CCC[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccc(OC)cc3)=NN12 ZINC000008817551 554700440 /nfs/dbraw/zinc/70/04/40/554700440.db2.gz DZZXFSLRKYTBEG-JOCHJYFZSA-N 1 0 470.411 5.203 50 0 JKAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)CSc1nc2ccccc2n1-c1ccccc1 ZINC000008856547 554752434 /nfs/dbraw/zinc/75/24/34/554752434.db2.gz VIXAARUGCWVACW-DHLKQENFSA-N 1 0 468.626 5.261 50 0 JKAARO COc1ccc([C@H](CN2C(=O)[C@H](C)S[C@@H]2c2ccc(Br)s2)[NH+]2CCCC2)cc1 ZINC000008881275 554776477 /nfs/dbraw/zinc/77/64/77/554776477.db2.gz XEJIPRBVPNAAKE-XXHMAFKTSA-N 1 0 481.481 5.319 50 0 JKAARO Cc1cc(C)cc(NC(=O)C2CC[NH+](Cc3cnn(-c4ccccc4)c3-n3cccc3)CC2)c1 ZINC000008911559 554800519 /nfs/dbraw/zinc/80/05/19/554800519.db2.gz OXGOTAPNNCLSOW-UHFFFAOYSA-N 1 0 453.590 5.131 50 0 JKAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(CSc2nc3ccncc3n2Cc2cccc(C)c2)cc1 ZINC000008911786 554800967 /nfs/dbraw/zinc/80/09/67/554800967.db2.gz IKYPQQYIGWTZIH-VWLOTQADSA-N 1 0 499.684 5.294 50 0 JKAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(CSc2nc3ccncc3n2Cc2cccc(C)c2)cc1 ZINC000008911785 554800977 /nfs/dbraw/zinc/80/09/77/554800977.db2.gz IKYPQQYIGWTZIH-RUZDIDTESA-N 1 0 499.684 5.294 50 0 JKAARO Cc1ccccc1CSc1nc2ccncc2n1Cc1ccc(C(=O)NCC[NH+]2CCCCC2)cc1 ZINC000008911972 554801415 /nfs/dbraw/zinc/80/14/15/554801415.db2.gz RNZRANATYNWGRN-UHFFFAOYSA-N 1 0 499.684 5.296 50 0 JKAARO Cc1cccc(CSc2nc3ccncc3n2Cc2ccc(C(=O)NCC[NH+]3CCCCC3)cc2)c1 ZINC000008911961 554801434 /nfs/dbraw/zinc/80/14/34/554801434.db2.gz ZBNDCCJTCKHBSE-UHFFFAOYSA-N 1 0 499.684 5.296 50 0 JKAARO CCC[NH+]1CCN(C(=O)c2ccc(Cn3c4cnccc4nc3SCc3cccc(C)c3)cc2)CC1 ZINC000008911955 554801477 /nfs/dbraw/zinc/80/14/77/554801477.db2.gz XZLIEPWQOTWWGW-UHFFFAOYSA-N 1 0 499.684 5.248 50 0 JKAARO CCC[NH+](CCC)CCCNC(=O)c1oc2ccc3c(c2c1C)[C@H](O)CC1(CCCCC1)O3 ZINC000008912098 554801873 /nfs/dbraw/zinc/80/18/73/554801873.db2.gz AVNJPYAYTCSAGY-HXUWFJFHSA-N 1 0 456.627 5.502 50 0 biogenic JKAARO CC[C@H](C)[N@H+](CCNC(=O)c1ccc2nc(N3CCC(C)CC3)sc2c1)C1CCCCC1 ZINC000008912729 554803273 /nfs/dbraw/zinc/80/32/73/554803273.db2.gz WHOWLNFSHPZESD-FQEVSTJZSA-N 1 0 456.700 5.696 50 0 JKAARO CC[NH+](CC)CCNC(=O)c1ccc(Cn2c3cnccc3nc2SCc2cccc(C)c2)cc1 ZINC000008913563 554806115 /nfs/dbraw/zinc/80/61/15/554806115.db2.gz JXMQPDQXSFBYOY-UHFFFAOYSA-N 1 0 487.673 5.152 50 0 JKAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cc2c3ccccc3[nH]c2c(-c2cccc(Cl)c2)n1 ZINC000008918516 554815053 /nfs/dbraw/zinc/81/50/53/554815053.db2.gz NQWUSEVHXKLKSY-UHFFFAOYSA-N 1 0 495.026 6.431 50 0 biogenic JKAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OCc4ccccc4Cl)cc2)N3)C1 ZINC000008928049 554825696 /nfs/dbraw/zinc/82/56/96/554825696.db2.gz WGAHODUWFBDLAV-QFIPXVFZSA-N 1 0 453.995 5.787 50 0 JKAARO COc1c2c(cc3c1[C@H](C[C@H](O)c1cc4c(cc1C)C(C)(C)[C@@H](C)CC4(C)C)[N@H+](C)CC3)OCO2 ZINC000008964508 554838445 /nfs/dbraw/zinc/83/84/45/554838445.db2.gz KIIPWXWTCHRTLY-NWVWQQAFSA-N 1 0 479.661 5.980 50 0 biogenic JKAARO c1ccc2c(c1)CCC[C@H]2[NH+]1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc4c(c3)OCO4)=NN12 ZINC000008969050 554842954 /nfs/dbraw/zinc/84/29/54/554842954.db2.gz QIJHRSHWWHXCIW-SXOMAYOGSA-N 1 0 493.607 5.829 50 0 JKAARO CC(C)[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccc(Cl)cc3)=NN12 ZINC000009013025 554864836 /nfs/dbraw/zinc/86/48/36/554864836.db2.gz MNMNQILLNNPKTO-NRFANRHFSA-N 1 0 474.830 5.847 50 0 JKAARO COc1cccc2c1OC1(CC[NH+](Cc3ccccc3)CC1)N1N=C(c3ccc4c(c3)OCCO4)C[C@H]21 ZINC000009019675 554866933 /nfs/dbraw/zinc/86/69/33/554866933.db2.gz HOZHSWCIRHTBMH-RUZDIDTESA-N 1 0 497.595 5.002 50 0 JKAARO O=C(N[C@H](OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(Cl)(Cl)Cl)c1ccccc1Br ZINC000009033453 554867582 /nfs/dbraw/zinc/86/75/82/554867582.db2.gz NHOWDDFUHDJVCH-FDQGKXFDSA-N 1 0 498.676 5.156 50 0 biogenic JKAARO O=C(N[C@@H](OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(Cl)(Cl)Cl)c1cccc(Cl)c1 ZINC000009033461 554867611 /nfs/dbraw/zinc/86/76/11/554867611.db2.gz DWGJOEKNMCQDLE-LESCRADOSA-N 1 0 454.225 5.047 50 0 biogenic JKAARO O=C(N[C@@H](OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(Cl)(Cl)Cl)c1ccccc1Br ZINC000009033454 554867665 /nfs/dbraw/zinc/86/76/65/554867665.db2.gz NHOWDDFUHDJVCH-XCRHUMRWSA-N 1 0 498.676 5.156 50 0 biogenic JKAARO O=C(NCCC[NH+]1CCC(Cc2ccccc2)CC1)c1ccc(C[S@](=O)c2ccccc2Cl)o1 ZINC000009115553 554902309 /nfs/dbraw/zinc/90/23/09/554902309.db2.gz UQVGGCGMNQQKRF-UUWRZZSWSA-N 1 0 499.076 5.315 50 0 JKAARO CCCC[N@H+](CCCNC(=O)c1ccc(C[S@](=O)c2ccccc2Cl)o1)Cc1ccccc1 ZINC000009115554 554902423 /nfs/dbraw/zinc/90/24/23/554902423.db2.gz VXEHJYCBMCTJPA-MGBGTMOVSA-N 1 0 487.065 5.663 50 0 JKAARO CCCC[NH+](CCCC)CCCNC(=O)c1ccc(C[S@@](=O)c2ccc(Br)cc2)o1 ZINC000009115597 554902596 /nfs/dbraw/zinc/90/25/96/554902596.db2.gz FOYZXPFMYNGYPC-PMERELPUSA-N 1 0 497.499 5.372 50 0 JKAARO Cc1ccc(CN(C(=O)Nc2ccc(C)c(Cl)c2)C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000009151163 554937340 /nfs/dbraw/zinc/93/73/40/554937340.db2.gz RPYLIFLJDVSNTG-UHFFFAOYSA-N 1 0 451.998 6.249 50 0 JKAARO CCc1ccccc1NC(=O)N(Cc1ccc2c(c1)OCO2)C1CC[NH+](Cc2ccccc2)CC1 ZINC000009151151 554937360 /nfs/dbraw/zinc/93/73/60/554937360.db2.gz XIVKTTWETSOOBQ-UHFFFAOYSA-N 1 0 471.601 5.676 50 0 JKAARO COc1ccc(NC(=O)N(Cc2ccc(C)o2)C2CC[NH+](Cc3ccccc3)CC2)c(OC)c1 ZINC000009151169 554937431 /nfs/dbraw/zinc/93/74/31/554937431.db2.gz MXRQRGXIEQVHGU-UHFFFAOYSA-N 1 0 463.578 5.304 50 0 JKAARO COc1cccc2sc(N(CCC[NH+](C)C)C(=O)C(c3ccccc3)c3ccccc3)nc21 ZINC000009151904 554939280 /nfs/dbraw/zinc/93/92/80/554939280.db2.gz KGHCKYAADOQTDL-UHFFFAOYSA-N 1 0 459.615 5.422 50 0 JKAARO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1nc(-c2ccc(Cl)cc2)n2c1CCCCC2 ZINC000009152939 554941719 /nfs/dbraw/zinc/94/17/19/554941719.db2.gz MEDGILIJWCPCID-UHFFFAOYSA-N 1 0 463.025 5.108 50 0 JKAARO Cc1occc1-c1nnc(SCC(=O)Nc2ccc(C[NH+]3CCCC3)cc2)n1Cc1ccccc1 ZINC000009155532 554945428 /nfs/dbraw/zinc/94/54/28/554945428.db2.gz WKLSJDZUAMFGNA-UHFFFAOYSA-N 1 0 487.629 5.221 50 0 JKAARO CC[NH+](CC)CCNc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CC(C)(C)OC3 ZINC000009185620 554958293 /nfs/dbraw/zinc/95/82/93/554958293.db2.gz OLZHAMWCDSDCPD-UHFFFAOYSA-N 1 0 461.635 5.512 50 0 JKAARO CCCCCC[NH2+]C[C@@H](c1ccccc1)[C@](O)(c1ccc(OCC)cc1)c1ccccc1OC ZINC000009195290 554968547 /nfs/dbraw/zinc/96/85/47/554968547.db2.gz ZPVZAMOLYBQYOF-JDXGNMNLSA-N 1 0 461.646 6.284 50 0 JKAARO CCCCCC[NH2+]C[C@H](c1ccccc1)[C@](O)(c1ccc(OCC)cc1)c1ccccc1OC ZINC000009195293 554968588 /nfs/dbraw/zinc/96/85/88/554968588.db2.gz ZPVZAMOLYBQYOF-DGPALRBDSA-N 1 0 461.646 6.284 50 0 JKAARO Cc1oc(-c2ccc(C(=O)N3CC[NH+](C4CCCCC4)CC3)cc2)nc1COc1ccc(C)cc1 ZINC000009211885 554981790 /nfs/dbraw/zinc/98/17/90/554981790.db2.gz KNWYGRSWMCQENY-UHFFFAOYSA-N 1 0 473.617 5.628 50 0 JKAARO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccccc1NC(=O)Cc1cccc2ccccc21 ZINC000009222665 554992086 /nfs/dbraw/zinc/99/20/86/554992086.db2.gz XXFYDSXSKNPQOW-UHFFFAOYSA-N 1 0 492.623 5.334 50 0 JKAARO Cc1c(C)n(Cc2ccc(F)cc2)c2ccc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc12 ZINC000009229083 555003247 /nfs/dbraw/zinc/00/32/47/555003247.db2.gz ZGEZYIXAVCBCIX-UHFFFAOYSA-N 1 0 469.604 5.840 50 0 JKAARO O=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1ccc(N2CCCc3ccccc32)s1 ZINC000009229172 555003506 /nfs/dbraw/zinc/00/35/06/555003506.db2.gz BXWPDRDJHKEMMU-UHFFFAOYSA-N 1 0 495.092 5.428 50 0 JKAARO Cc1ccc(C)c(N2CC[NH+](CCCNC(=O)c3ccc(N4CCCc5ccccc54)s3)CC2)c1 ZINC000009229176 555003510 /nfs/dbraw/zinc/00/35/10/555003510.db2.gz SITOSLCJTSTJRS-UHFFFAOYSA-N 1 0 488.701 5.391 50 0 JKAARO O=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1ccc(-n2ccc3ccccc32)s1 ZINC000009229190 555003566 /nfs/dbraw/zinc/00/35/66/555003566.db2.gz GUYIIZUORBVWKZ-UHFFFAOYSA-N 1 0 479.049 5.288 50 0 JKAARO COc1ccc(C2=NN3[C@@H](C2)c2ccccc2OC32CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC000009272289 555044848 /nfs/dbraw/zinc/04/48/48/555044848.db2.gz XYBGFVNCWYDMTH-VWLOTQADSA-N 1 0 469.585 5.240 50 0 JKAARO C[N@H+](CCCNC(=O)c1[nH]c2ccccc2c1Sc1ccc(Cl)cc1)C1CCCCC1 ZINC000009288159 555061722 /nfs/dbraw/zinc/06/17/22/555061722.db2.gz VAVRPKFFQOACFS-UHFFFAOYSA-N 1 0 456.055 6.357 50 0 JKAARO C[C@@H]1CCC[C@@H](C)[NH+]1CCCNC(=O)c1[nH]c2ccccc2c1Sc1ccc(Cl)cc1 ZINC000009288171 555061745 /nfs/dbraw/zinc/06/17/45/555061745.db2.gz ASGZCQXXTGFITJ-QZTJIDSGSA-N 1 0 456.055 6.355 50 0 JKAARO C[N@H+](CCCNC(=O)c1[nH]c2ccccc2c1Sc1ccc(Cl)cc1)Cc1ccccc1 ZINC000009288136 555061757 /nfs/dbraw/zinc/06/17/57/555061757.db2.gz CNJFIVFASYYKOT-UHFFFAOYSA-N 1 0 464.034 6.224 50 0 JKAARO COc1ccc2c(c1)[nH]c(C(=O)NCCC[N@H+](C)Cc1ccccc1)c2Sc1ccccc1 ZINC000009288368 555062115 /nfs/dbraw/zinc/06/21/15/555062115.db2.gz BJVMDSAIGZVVFP-UHFFFAOYSA-N 1 0 459.615 5.580 50 0 JKAARO COc1ccc2c(c1)[nH]c(C(=O)NCCC[NH+]1[C@H](C)CCC[C@H]1C)c2Sc1ccccc1 ZINC000009288387 555062203 /nfs/dbraw/zinc/06/22/03/555062203.db2.gz GZTRPQZLMIPLCF-RTBURBONSA-N 1 0 451.636 5.711 50 0 JKAARO CC[C@@H](C(=O)NCCC[N@H+](Cc1ccccc1)C(C)C)n1nc(C)c2sc3ccccc3c2c1=O ZINC000009289409 555063737 /nfs/dbraw/zinc/06/37/37/555063737.db2.gz QFAWCSXGAKQRFM-QHCPKHFHSA-N 1 0 490.673 5.288 50 0 JKAARO c1ccc2c(c1)CCC[C@H]2[NH+]1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3cccnc3)=NN12 ZINC000009291445 555066029 /nfs/dbraw/zinc/06/60/29/555066029.db2.gz FMOLZDMHNHMWGD-SXOMAYOGSA-N 1 0 450.586 5.495 50 0 JKAARO c1ccc2c(c1)CCC[C@@H]2[NH+]1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccncc3)=NN12 ZINC000009292248 555067364 /nfs/dbraw/zinc/06/73/64/555067364.db2.gz XVPXUUXMIRFENY-SVBPBHIXSA-N 1 0 450.586 5.495 50 0 JKAARO C[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccc(OC(F)F)cc3)=NN12 ZINC000009301987 555075041 /nfs/dbraw/zinc/07/50/41/555075041.db2.gz SDRHFZWQSGSKDH-LJQANCHMSA-N 1 0 478.337 5.016 50 0 JKAARO CC[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccccc3Cl)=NN12 ZINC000009307257 555079974 /nfs/dbraw/zinc/07/99/74/555079974.db2.gz PMBJJOCTHSXIQN-HXUWFJFHSA-N 1 0 460.803 5.458 50 0 JKAARO C[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3cccc4ccccc43)=NN12 ZINC000009310909 555086923 /nfs/dbraw/zinc/08/69/23/555086923.db2.gz LWRNEFVZZGSMQO-HSZRJFAPSA-N 1 0 462.391 5.568 50 0 JKAARO c1ccc(C[NH+]2CCC3(CC2)Oc2ccccc2[C@H]2CC(c4ccc5ccccc5c4)=NN23)cc1 ZINC000009330687 555100866 /nfs/dbraw/zinc/10/08/66/555100866.db2.gz SZDKSEFMUCSROA-GDLZYMKVSA-N 1 0 459.593 6.376 50 0 JKAARO CSc1ccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2cccc(Cl)c2)N2NC=NC2=N3)cc1 ZINC000009345146 555110602 /nfs/dbraw/zinc/11/06/02/555110602.db2.gz RFQWMOLZZXBTES-RPWUZVMVSA-N 1 0 458.974 5.866 50 0 JKAARO Brc1ccc(C2=NN3[C@H](C2)c2ccccc2OC32CC[NH+](Cc3ccccc3)CC2)s1 ZINC000009358387 555122684 /nfs/dbraw/zinc/12/26/84/555122684.db2.gz WBFRZEVLFIKYAJ-OAQYLSRUSA-N 1 0 494.458 6.046 50 0 JKAARO Cc1ccc(-c2cn3c4ccc(C(=O)N5CC[NH+](C6CCCCC6)CC5)cc4sc3n2)cc1 ZINC000009406330 555166590 /nfs/dbraw/zinc/16/65/90/555166590.db2.gz GJUWIHZFHTVOJS-UHFFFAOYSA-N 1 0 458.631 5.615 50 0 JKAARO CCc1ccc(-c2cn3c4ccc(C(=O)NC5CC[NH+](Cc6ccccc6)CC5)cc4sc3n2)cc1 ZINC000009406473 555166978 /nfs/dbraw/zinc/16/69/78/555166978.db2.gz TZUJZETWWUJSNM-UHFFFAOYSA-N 1 0 494.664 6.173 50 0 JKAARO CCOc1ccc(-c2cn3c4ccc(C(=O)N5CC[NH+](C6CCCCC6)CC5)cc4sc3n2)cc1 ZINC000009406603 555167161 /nfs/dbraw/zinc/16/71/61/555167161.db2.gz PEIKRYISVDDYFU-UHFFFAOYSA-N 1 0 488.657 5.705 50 0 JKAARO CC[N@H+](CCCNC(=O)c1cc2c(s1)-c1ccc(Cl)cc1SC2)Cc1ccccc1 ZINC000009407752 555169479 /nfs/dbraw/zinc/16/94/79/555169479.db2.gz LNFIZZGMZSOOQC-UHFFFAOYSA-N 1 0 457.064 6.316 50 0 JKAARO CC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC[C@H](O)C[NH2+]Cc3ccc(C)cc3)cc21 ZINC000009408661 555171599 /nfs/dbraw/zinc/17/15/99/555171599.db2.gz XMYVSNWPKPMXMN-RUZDIDTESA-N 1 0 456.586 5.288 50 0 JKAARO COc1ccc(CC[NH2+]CC[C@@H](Cc2ccccc2Cl)[C@@H]2CCOC(C)(C)C2)cc1OC ZINC000009410365 555176669 /nfs/dbraw/zinc/17/66/69/555176669.db2.gz IOHBCDZCJJMTLK-JTHBVZDNSA-N 1 0 460.058 5.944 50 0 JKAARO Brc1cccc(-c2nnc3sc(C[NH+]4CCC(Cc5ccccc5)CC4)cn32)c1 ZINC000009427693 555193075 /nfs/dbraw/zinc/19/30/75/555193075.db2.gz ZYZKFOZMKZBBAN-UHFFFAOYSA-N 1 0 467.436 5.675 50 0 JKAARO CCC[NH+](CCC)CCNC(=O)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1 ZINC000009433516 555203645 /nfs/dbraw/zinc/20/36/45/555203645.db2.gz IHQWZMYXXNKXQB-JWQCQUIFSA-N 1 0 467.679 5.210 50 0 JKAARO CCCC[N@H+](CC)CCCNC(=O)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1 ZINC000009433598 555203854 /nfs/dbraw/zinc/20/38/54/555203854.db2.gz GGFMFBIMQUCBSQ-CLJLJLNGSA-N 1 0 481.706 5.600 50 0 JKAARO CCC[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccccc3OC)=NN12 ZINC000009452387 555224403 /nfs/dbraw/zinc/22/44/03/555224403.db2.gz GMMAWGWVQDMRHL-OAQYLSRUSA-N 1 0 470.411 5.203 50 0 JKAARO CCC[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccccc3OC)=NN12 ZINC000009452380 555224430 /nfs/dbraw/zinc/22/44/30/555224430.db2.gz GMMAWGWVQDMRHL-NRFANRHFSA-N 1 0 470.411 5.203 50 0 JKAARO COc1ccc(C[NH2+]CC[C@@]2(c3cccc(C(F)(F)F)c3)CCOC(C)(C)C2)cc1OC ZINC000009453586 555224960 /nfs/dbraw/zinc/22/49/60/555224960.db2.gz XBAHYNJLXPJXCZ-XMMPIXPASA-N 1 0 451.529 5.729 50 0 JKAARO CC[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccc(Cl)cc3Cl)=NN12 ZINC000009461610 555229476 /nfs/dbraw/zinc/22/94/76/555229476.db2.gz XPNJTYFFDOGIAX-FQEVSTJZSA-N 1 0 495.248 6.111 50 0 JKAARO CCOc1cc(C[NH2+][C@H](C)c2ccc(-n3ccnc3)cc2)ccc1OCCOc1ccc(F)cc1 ZINC000009468300 555247724 /nfs/dbraw/zinc/24/77/24/555247724.db2.gz IFQNEDRGEKAJOM-OAQYLSRUSA-N 1 0 475.564 5.719 50 0 JKAARO CCCC1=Nc2cc(C(=O)NCCC[N@@H+]3CCCC[C@@H]3CC)ccc2Sc2ccc(C)cc21 ZINC000009490440 555265851 /nfs/dbraw/zinc/26/58/51/555265851.db2.gz CLEVJXOSBJOTEQ-QFIPXVFZSA-N 1 0 463.691 6.765 50 0 JKAARO Cc1cccc2c1OC1(CC[NH+](Cc3ccccc3)CC1)N1N=C(c3ccc(Cl)cc3)C[C@H]21 ZINC000009499027 555283585 /nfs/dbraw/zinc/28/35/85/555283585.db2.gz OFHASLVZYXRIOM-AREMUKBSSA-N 1 0 458.005 6.184 50 0 JKAARO COc1ccc(-c2csc3ncnc(NCC4CC[NH+](Cc5cccc(Cl)c5)CC4)c23)cc1 ZINC000009527759 555320799 /nfs/dbraw/zinc/32/07/99/555320799.db2.gz LQXMXZVZUFAOOA-UHFFFAOYSA-N 1 0 479.049 6.344 50 0 JKAARO CCOc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000009531241 555326093 /nfs/dbraw/zinc/32/60/93/555326093.db2.gz DHVFHVWFPINWSZ-UHFFFAOYSA-N 1 0 489.623 5.808 50 0 JKAARO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2cc(Sc3ccc(F)cc3)nc3ccccc32)C1 ZINC000009546378 555341630 /nfs/dbraw/zinc/34/16/30/555341630.db2.gz AVGCMNHQXXPVAG-OALUTQOASA-N 1 0 451.611 5.623 50 0 JKAARO C[C@@H]1CCC[C@@H](C)[NH+]1CCCNC(=O)c1cc(Sc2ccc(F)cc2)nc2ccccc21 ZINC000009546383 555341729 /nfs/dbraw/zinc/34/17/29/555341729.db2.gz QRJLVXBTVLNUTF-RTBURBONSA-N 1 0 451.611 5.908 50 0 JKAARO C[C@H]1CCCC[N@@H+]1C[C@H](O)Cn1c(-c2ccccc2)c(-c2ccccc2)c2ccc3ccccc3c21 ZINC000009546580 555342219 /nfs/dbraw/zinc/34/22/19/555342219.db2.gz JGADKEHTISWKSV-CUBQBAPOSA-N 1 0 474.648 7.364 50 0 JKAARO C[C@@H]1CCCC[N@@H+]1C[C@H](O)Cn1c(-c2ccccc2)c(-c2ccccc2)c2ccc3ccccc3c21 ZINC000009546579 555342358 /nfs/dbraw/zinc/34/23/58/555342358.db2.gz JGADKEHTISWKSV-YWEHKCAJSA-N 1 0 474.648 7.364 50 0 JKAARO COC(=O)c1c(NC(=O)c2sc3ccccc3c2Cl)sc2c1CC(C)(C)[NH2+]C2(C)C ZINC000009639773 555349001 /nfs/dbraw/zinc/34/90/01/555349001.db2.gz QDVBQPVYEFSEOY-UHFFFAOYSA-N 1 0 463.024 5.815 50 0 JKAARO COC(=O)c1c2c(sc1NC(=O)c1cc3ccccc3cc1OC)C(C)(C)[NH2+]C(C)(C)C2 ZINC000009639753 555349080 /nfs/dbraw/zinc/34/90/80/555349080.db2.gz LFFMUGRWTKPJEM-UHFFFAOYSA-N 1 0 452.576 5.108 50 0 JKAARO CCOC(=O)c1c2c(sc1NC(=O)c1cccc(C(F)(F)F)c1)C(C)(C)[NH2+]C(C)(C)C2 ZINC000009639847 555349404 /nfs/dbraw/zinc/34/94/04/555349404.db2.gz HPTDVMPQEULSCO-UHFFFAOYSA-N 1 0 454.514 5.355 50 0 JKAARO CCOC(=O)c1c2c(sc1NC(=O)c1cc(Cl)sc1Cl)C(C)(C)[NH2+]C(C)(C)C2 ZINC000009639916 555349412 /nfs/dbraw/zinc/34/94/12/555349412.db2.gz RZLARGHMIFVSSQ-UHFFFAOYSA-N 1 0 461.436 5.705 50 0 JKAARO O=C(C1CC[NH+](Cc2ccccc2Cl)CC1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000009553946 555350331 /nfs/dbraw/zinc/35/03/31/555350331.db2.gz FLODQLLTYFJOMW-UHFFFAOYSA-N 1 0 488.075 5.486 50 0 JKAARO COc1ccc2cc3cc(C(=O)NCC4CC[NH+](Cc5cccc(C)c5)CC4)sc3nc2c1 ZINC000009561526 555359599 /nfs/dbraw/zinc/35/95/99/555359599.db2.gz UJUXAMPPTOIHMN-UHFFFAOYSA-N 1 0 459.615 5.409 50 0 JKAARO CCCC[NH+]1CCN(C(=O)c2cc(-c3ccc(OC)cc3)nc3ccc(Br)cc32)CC1 ZINC000013321635 555375985 /nfs/dbraw/zinc/37/59/85/555375985.db2.gz SCQFWUVMBOKZHB-UHFFFAOYSA-N 1 0 482.422 5.231 50 0 JKAARO CC1(C)O[C@]2(CC[C@@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@@]32C)CN1C(=O)CSC1=[NH+]CCN1 ZINC000013362213 555387578 /nfs/dbraw/zinc/38/75/78/555387578.db2.gz FJIROWAKFHDSJC-OOSPJTPISA-N 1 0 487.754 5.445 50 0 biogenic JKAARO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2cn(C3CCCCC3)c(=O)c3c2c2ccccc2n3C)C1 ZINC000009674067 555398656 /nfs/dbraw/zinc/39/86/56/555398656.db2.gz QVLYDJCCRVNDSE-SFTDATJTSA-N 1 0 476.665 5.096 50 0 JKAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2cn(C3CCCCC3)c(=O)c3c2c2ccccc2n3C)C1 ZINC000009674066 555398797 /nfs/dbraw/zinc/39/87/97/555398797.db2.gz QVLYDJCCRVNDSE-OYRHEFFESA-N 1 0 476.665 5.096 50 0 JKAARO Cc1c(NC(=O)c2ccc(C[NH+]3CCC(Cc4ccccc4)CC3)cc2)c(=O)n(-c2ccccc2)n1C ZINC000013425212 555399320 /nfs/dbraw/zinc/39/93/20/555399320.db2.gz WAIAJIINMMGMFG-UHFFFAOYSA-N 1 0 494.639 5.191 50 0 JKAARO O=C(NCC[NH+]1CCCCCC1)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 ZINC000009589371 555402447 /nfs/dbraw/zinc/40/24/47/555402447.db2.gz MOQFXWJUANEYLT-UHFFFAOYSA-N 1 0 450.586 5.570 50 0 JKAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 ZINC000009589375 555402486 /nfs/dbraw/zinc/40/24/86/555402486.db2.gz PEEQUAQLXAENKB-OAQYLSRUSA-N 1 0 450.586 5.568 50 0 JKAARO Cc1cccc(-c2nc3ccc(C(=O)NCC[NH+]4CCCC4)cc3nc2-c2cccc(C)c2)c1 ZINC000009589472 555402690 /nfs/dbraw/zinc/40/26/90/555402690.db2.gz HAAMFKLHAZXRPA-UHFFFAOYSA-N 1 0 450.586 5.406 50 0 JKAARO Cc1cccc(-c2nc3ccc(C(=O)NCC[N@H+]4CCCC[C@H]4C)cc3nc2-c2cccc(C)c2)c1 ZINC000009589478 555402810 /nfs/dbraw/zinc/40/28/10/555402810.db2.gz HEOBCBFCAREUQT-HSZRJFAPSA-N 1 0 478.640 6.185 50 0 JKAARO COc1ccc(Nc2cc(C(=O)NCC[NH+](CC(C)C)CC(C)C)c3ccccc3n2)c(OC)c1 ZINC000009680695 555408508 /nfs/dbraw/zinc/40/85/08/555408508.db2.gz ILBKZLJHWDBGJE-UHFFFAOYSA-N 1 0 478.637 5.339 50 0 JKAARO CCCC[NH+](CCCC)CCNC(=O)c1cc(Nc2ccc(C(C)C)cc2)nc2ccccc21 ZINC000009680893 555408821 /nfs/dbraw/zinc/40/88/21/555408821.db2.gz FPFUZJCMFKZIJK-UHFFFAOYSA-N 1 0 460.666 6.734 50 0 JKAARO CCCC[N@H+](CCCNC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc21)Cc1ccccc1 ZINC000009598068 555415801 /nfs/dbraw/zinc/41/58/01/555415801.db2.gz ZGVKFRXPGVLKMG-UHFFFAOYSA-N 1 0 492.088 7.039 50 0 JKAARO CCC[NH+](CCC)CCCNC(=O)c1cc(-c2ccc(Br)s2)nc2ccccc21 ZINC000009598057 555415819 /nfs/dbraw/zinc/41/58/19/555415819.db2.gz HLPVGZVTCUHIJT-UHFFFAOYSA-N 1 0 474.468 5.968 50 0 JKAARO C[N@H+](CCNC(=O)CSc1c2cc(Cl)ccc2nc2c1CCCC2)Cc1ccccc1 ZINC000009693765 555422910 /nfs/dbraw/zinc/42/29/10/555422910.db2.gz BMQGIUDSRRHKKK-UHFFFAOYSA-N 1 0 454.039 5.107 50 0 JKAARO O=C(NCCC[NH+]1CCC(Cc2ccccc2)CC1)c1nnc(Cc2ccc(Cl)cc2Cl)o1 ZINC000009604963 555431563 /nfs/dbraw/zinc/43/15/63/555431563.db2.gz AKYGDYYCICOMNU-UHFFFAOYSA-N 1 0 487.431 5.042 50 0 JKAARO CCCC[NH+](CCCC)CCNC(=O)c1ccc2c(c1)N=C(CCC)c1ccccc1S2 ZINC000009608021 555434686 /nfs/dbraw/zinc/43/46/86/555434686.db2.gz WUCXRENOUAJNBC-UHFFFAOYSA-N 1 0 451.680 6.704 50 0 JKAARO CCC1=Nc2cc(C(=O)NCC[N@@H+]([C@H](C)CC)C3CCCCC3)ccc2Sc2ccc(C)cc21 ZINC000009608333 555435400 /nfs/dbraw/zinc/43/54/00/555435400.db2.gz MURFXZWJYJHFFG-OAQYLSRUSA-N 1 0 477.718 7.153 50 0 JKAARO Cc1nc2cc(-c3cccc(F)c3)nn2c(C)c1CCC(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000009609673 555438413 /nfs/dbraw/zinc/43/84/13/555438413.db2.gz OMSJDFZUEUVUHQ-UHFFFAOYSA-N 1 0 471.580 5.319 50 0 JKAARO Cc1nn(-c2ccc(C)c(C)c2)c2nc(C)c(CCC(=O)NC[C@@H]3CC[N@@H+](C4CCCC4)C3)c(C)c12 ZINC000009610269 555440318 /nfs/dbraw/zinc/44/03/18/555440318.db2.gz BADMWCCZYQIFGQ-DEOSSOPVSA-N 1 0 487.692 5.276 50 0 JKAARO CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)c2cc3c(s2)c2cc(C)ccc2oc3=O)cc1 ZINC000009611192 555443117 /nfs/dbraw/zinc/44/31/17/555443117.db2.gz FEXMPSHUILSWII-UHFFFAOYSA-N 1 0 478.570 5.067 50 0 JKAARO COCCn1c(-c2ccc(F)cc2)c[nH+]c1NCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000009720972 555452796 /nfs/dbraw/zinc/45/27/96/555452796.db2.gz ALVLZIVNCITNAG-UHFFFAOYSA-N 1 0 461.537 5.535 50 0 JKAARO CCOc1ccc(-c2c[nH+]c(NCc3ccc(OCc4ccccc4)c(OC)c3)n2CCOC)cc1 ZINC000009720968 555452820 /nfs/dbraw/zinc/45/28/20/555452820.db2.gz ZGJYLSQNRAUPPU-UHFFFAOYSA-N 1 0 487.600 5.795 50 0 JKAARO CCc1ccc(-c2nc(C[NH+]3CCC(C(=O)N[C@@H](C)CCc4ccccc4)CC3)c(C)o2)cc1 ZINC000009731760 555468701 /nfs/dbraw/zinc/46/87/01/555468701.db2.gz VPSGAWDKPNOTPP-NRFANRHFSA-N 1 0 459.634 5.562 50 0 JKAARO Cc1oc(-c2cccc(Br)c2)nc1C[NH+]1CCC(C(=O)N[C@H]2CCCC[C@@H]2C)CC1 ZINC000009731775 555468867 /nfs/dbraw/zinc/46/88/67/555468867.db2.gz LGMBVDGBBAEPBH-KKSFZXQISA-N 1 0 474.443 5.319 50 0 JKAARO Cc1oc(-c2cccc(Cl)c2)nc1C[NH+]1CCC(C(=O)NCCc2ccc(C)cc2)CC1 ZINC000009731805 555468912 /nfs/dbraw/zinc/46/89/12/555468912.db2.gz ZJNFFYMZYKELES-UHFFFAOYSA-N 1 0 451.998 5.183 50 0 JKAARO O=C(CCCC[NH+]1CCCCC1)c1ccc2c(c1)-c1ccccc1/C2=C/c1ccc2c(c1)OCO2 ZINC000013511551 555483232 /nfs/dbraw/zinc/48/32/32/555483232.db2.gz MMPUYPQTPISBPV-IMRQLAEWSA-N 1 0 465.593 6.824 50 0 JKAARO COc1ccc(CN(CC[C@]2(Cc3ccccc3)C[C@H](C)[N@H+](C)C[C@@H]2C)C(C)=O)cc1OC ZINC000013511587 555483289 /nfs/dbraw/zinc/48/32/89/555483289.db2.gz QMYJRGWDZJUCJC-RXYILKCJSA-N 1 0 452.639 5.032 50 0 JKAARO Cc1ccc(Nc2ncc(C(=O)NCCC[N@H+]3C[C@H](C)C[C@H](C)C3)c3ccccc32)cc1Cl ZINC000009776781 555495011 /nfs/dbraw/zinc/49/50/11/555495011.db2.gz TVVFOWLFMNOKAO-KDURUIRLSA-N 1 0 465.041 6.038 50 0 JKAARO O[C@@H](C[NH2+]Cc1ccccc1)Cn1c2ccc(Br)cc2c2cc(Br)ccc21 ZINC000013563665 555498674 /nfs/dbraw/zinc/49/86/74/555498674.db2.gz KFFZTNPHTGLILJ-SFHVURJKSA-N 1 0 488.223 5.470 50 0 JKAARO O[C@@H](Cn1c2c(ccc3ccccc23)c(-c2ccccc2)c1-c1ccccc1)C[NH+]1CCCCCC1 ZINC000009783137 555504333 /nfs/dbraw/zinc/50/43/33/555504333.db2.gz YWPOKGIPCWDVRZ-MUUNZHRXSA-N 1 0 474.648 7.365 50 0 JKAARO COc1ccc(-n2nnnc2C2([NH2+]CCc3c(C)[nH]c4c3c(Cl)ccc4Cl)CCCCC2)cc1 ZINC000019848552 555510223 /nfs/dbraw/zinc/51/02/23/555510223.db2.gz ILKRDHDYNQFUDK-UHFFFAOYSA-N 1 0 499.446 5.759 50 0 JKAARO CCOC(=O)c1ccc(NC(=S)N(CCC[N@@H+]2CCC[C@H](C)C2)Cc2cccs2)cc1 ZINC000013573237 555511860 /nfs/dbraw/zinc/51/18/60/555511860.db2.gz WGUONRVNSOJLRI-IBGZPJMESA-N 1 0 459.681 5.246 50 0 JKAARO CCN1c2c3occc3ccc2C=C/C1=C\C=C\C=C\c1ccc2ccc3ccoc3c2[n+]1CC ZINC000013573496 555512069 /nfs/dbraw/zinc/51/20/69/555512069.db2.gz UHLNXSWYGZZRAT-UHFFFAOYSA-N 1 0 459.569 7.646 50 0 JKAARO Cn1c(-c2ccc(Cl)c(Cl)c2)c[nH+]c1NCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000009805798 555518074 /nfs/dbraw/zinc/51/80/74/555518074.db2.gz ACUMOFZRKSUCPG-UHFFFAOYSA-N 1 0 460.449 7.307 50 0 JKAARO CSc1ccccc1N1CC[NH+](CCCCCC(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000013586565 555524458 /nfs/dbraw/zinc/52/44/58/555524458.db2.gz JNBBJUHCODFLEG-XMMPIXPASA-N 1 0 451.680 5.285 50 0 in-vitro JKAARO COc1cc2c(cc1OCc1ccccc1)[C@H](Cc1ccc(O)c(OCc3ccccc3)c1)[N@H+](C)CC2 ZINC000019877677 555524582 /nfs/dbraw/zinc/52/45/82/555524582.db2.gz MNZMAPURPHGCNO-NDEPHWFRSA-N 1 0 495.619 6.331 50 0 JKAARO Fc1ccc(-c2cc(C(F)(F)F)nc(N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)n2)cc1 ZINC000019894406 555532290 /nfs/dbraw/zinc/53/22/90/555532290.db2.gz YGLWKVDJAAQUJZ-UHFFFAOYSA-N 1 0 492.520 6.213 50 0 JKAARO O=C(CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000019909177 555537040 /nfs/dbraw/zinc/53/70/40/555537040.db2.gz VVNNXNFCJQDFNL-UHFFFAOYSA-N 1 0 454.401 5.339 50 0 JKAARO COc1cc2[nH+]cc(C(=O)c3ccc(C)cc3)c(N3CCN(Cc4ccccc4)CC3)c2cc1OC ZINC000009834685 555538643 /nfs/dbraw/zinc/53/86/43/555538643.db2.gz IAHGXQCCRHJGIK-UHFFFAOYSA-N 1 0 481.596 5.114 50 0 JKAARO Cc1c2cc3c(cc2oc(=O)c1CCC(=O)NCCC[NH+](C)C)occ3-c1ccc(Cl)cc1 ZINC000013626008 555539188 /nfs/dbraw/zinc/53/91/88/555539188.db2.gz HHWBWBQYCUESEB-UHFFFAOYSA-N 1 0 466.965 5.169 50 0 JKAARO Cc1ccccc1N1C(=O)[C@@H](Oc2ccc(Cl)cc2)[C@@H]1C[NH2+]CCc1ccc(Cl)cc1 ZINC000009835477 555540354 /nfs/dbraw/zinc/54/03/54/555540354.db2.gz KRCHTQAOGMDTEX-ZEQRLZLVSA-N 1 0 455.385 5.297 50 0 JKAARO CCOc1ccc(CC[NH2+]C[C@H]2[C@@H](Oc3ccc(Cl)cc3)C(=O)N2c2ccccc2C)cc1 ZINC000009835488 555540362 /nfs/dbraw/zinc/54/03/62/555540362.db2.gz NIVZDCGLAFIDKE-IZZNHLLZSA-N 1 0 464.993 5.042 50 0 JKAARO Cc1ccccc1N1C(=O)[C@H](Oc2ccc(Cl)cc2)[C@H]1C[NH2+]CCc1ccc(Cl)cc1 ZINC000009835479 555540434 /nfs/dbraw/zinc/54/04/34/555540434.db2.gz KRCHTQAOGMDTEX-DNQXCXABSA-N 1 0 455.385 5.297 50 0 JKAARO Cc1ccccc1N1C(=O)[C@@H](Oc2ccc(Cl)cc2)[C@H]1C[NH2+]CCc1ccc(Cl)cc1 ZINC000009835473 555540439 /nfs/dbraw/zinc/54/04/39/555540439.db2.gz KRCHTQAOGMDTEX-RPWUZVMVSA-N 1 0 455.385 5.297 50 0 JKAARO CCOc1ccc2nc(N3CCC[C@H](C(=O)Nc4ccc(C[NH+]5CCC(C)CC5)cc4)C3)sc2c1 ZINC000009848166 555550255 /nfs/dbraw/zinc/55/02/55/555550255.db2.gz SQMKUMGGEPQYSL-QFIPXVFZSA-N 1 0 492.689 5.782 50 0 JKAARO Cc1nc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)[nH]c(=O)c1Cc1cccc(Cl)c1 ZINC000019943477 555561480 /nfs/dbraw/zinc/56/14/80/555561480.db2.gz MXQJEFQMDSHJML-UHFFFAOYSA-N 1 0 485.031 5.234 50 0 JKAARO O=C(CCCn1nc(-c2ccccc2)c2cc(Cl)ccc21)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000009969943 555567151 /nfs/dbraw/zinc/56/71/51/555567151.db2.gz BFSPNOCXCRJTLS-UHFFFAOYSA-N 1 0 487.047 5.918 50 0 JKAARO C[C@@H]1CCC[C@H](C)[N@H+]1CCCNC(=O)CCCn1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000009969973 555567187 /nfs/dbraw/zinc/56/71/87/555567187.db2.gz MPDDYXWAEMPUPC-OYRHEFFESA-N 1 0 467.057 5.906 50 0 JKAARO CC[C@@H](C)[N@H+](CCNC(=O)Cn1nc(-c2ccccc2)c2cc(Cl)ccc21)C1CCCCC1 ZINC000009969932 555567252 /nfs/dbraw/zinc/56/72/52/555567252.db2.gz MDLBTAJEVHLEJJ-HXUWFJFHSA-N 1 0 467.057 5.906 50 0 JKAARO O=C(OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1nn2c(nc(-c3ccco3)cc2C(F)(F)F)c1Cl ZINC000009972271 555571594 /nfs/dbraw/zinc/57/15/94/555571594.db2.gz ISTQUAPICYMORV-DZGCQCFKSA-N 1 0 482.890 5.083 50 0 JKAARO CCCC[NH+](CCCC)CCCNCc1ccccc1OCc1ccc(Cl)cc1Cl ZINC000013733409 555605075 /nfs/dbraw/zinc/60/50/75/555605075.db2.gz DKGDEKWHNQMZGE-UHFFFAOYSA-N 1 0 451.482 6.954 50 0 JKAARO COc1cccc2c1OC1(CC[NH+](Cc3ccccc3)CC1)N1N=C(c3ccc4ccccc4c3)C[C@H]21 ZINC000013749882 555608851 /nfs/dbraw/zinc/60/88/51/555608851.db2.gz YJIHXKKAEDBRSG-GDLZYMKVSA-N 1 0 489.619 6.384 50 0 JKAARO C[NH+](C)CCCN(C(=O)c1cc(-c2cccs2)nc2ccccc21)c1nc2c(cccc2F)s1 ZINC000010068009 555614336 /nfs/dbraw/zinc/61/43/36/555614336.db2.gz UCWFKMCLVUTDNK-UHFFFAOYSA-N 1 0 490.629 6.311 50 0 JKAARO C[NH+](C)CCCN(C(=O)c1cc(-c2cccs2)nc2ccccc21)c1nc2ccc(F)cc2s1 ZINC000010067638 555614407 /nfs/dbraw/zinc/61/44/07/555614407.db2.gz UJRUBNLOVCQMRB-UHFFFAOYSA-N 1 0 490.629 6.311 50 0 JKAARO C[NH+](C)CCCN(C(=O)CCSc1ccccc1)c1nc2ccc(Br)cc2s1 ZINC000010067768 555614435 /nfs/dbraw/zinc/61/44/35/555614435.db2.gz QXMDOQWACDMGGN-UHFFFAOYSA-N 1 0 478.481 5.526 50 0 JKAARO O=C(NCCSCc1ccc(Cl)cc1)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000020057995 555621497 /nfs/dbraw/zinc/62/14/97/555621497.db2.gz AZXGLTMPLAHQBQ-UHFFFAOYSA-N 1 0 451.035 5.562 50 0 biogenic,in-vitro JKAARO CCN1c2ccccc2SC1=CC1=CC(=Cc2c3ccccc3c(C)c[n+]2CC)CC(C)(C)C1 ZINC000020069526 555626552 /nfs/dbraw/zinc/62/65/52/555626552.db2.gz UWAHASLZSUUOEQ-UHFFFAOYSA-N 1 0 467.702 8.076 50 0 JKAARO CCN(c1ccc(/C=C/C2=[N+](C)c3cc(OC)ccc3C2(C)C)cc1)c1ccc(C(=O)OC)cc1 ZINC000020070211 555627280 /nfs/dbraw/zinc/62/72/80/555627280.db2.gz ZLNDWRMUUHQUCP-UHFFFAOYSA-N 1 0 469.605 6.359 50 0 JKAARO O=C(c1ccc(Nc2nccc(-c3cc4ccccc4s3)n2)cc1)N1CCC([NH+]2CCCC2)CC1 ZINC000013831229 555630384 /nfs/dbraw/zinc/63/03/84/555630384.db2.gz BWZJBXAPRCVCKQ-UHFFFAOYSA-N 1 0 483.641 5.802 50 0 in-vitro JKAARO COc1cc(Cl)c(C)cc1NC(=S)N(CCC[NH+]1CCCCCC1)Cc1ccco1 ZINC000020107898 555642224 /nfs/dbraw/zinc/64/22/24/555642224.db2.gz WPKNGVKUBJMGBR-UHFFFAOYSA-N 1 0 450.048 5.715 50 0 JKAARO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@H]3c1ccc(OC)c(COc2ccccc2C2CCCCC2)c1 ZINC000020111669 555648395 /nfs/dbraw/zinc/64/83/95/555648395.db2.gz TWZXUEVPHWTFOI-WJOKGBTCSA-N 1 0 496.651 7.047 50 0 biogenic JKAARO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@H]3c1ccc(OC)c(COc2ccccc2C2CCCCC2)c1 ZINC000020111671 555648452 /nfs/dbraw/zinc/64/84/52/555648452.db2.gz TWZXUEVPHWTFOI-HKBQPEDESA-N 1 0 496.651 7.047 50 0 biogenic JKAARO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@H]3c1ccc(OC)c(COc2ccc(Cl)cc2Cl)c1 ZINC000020112067 555649365 /nfs/dbraw/zinc/64/93/65/555649365.db2.gz LSJSSUDZFWEASB-VWLOTQADSA-N 1 0 483.395 6.306 50 0 biogenic JKAARO CC(C)C[C@@H](NC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000020116217 555653850 /nfs/dbraw/zinc/65/38/50/555653850.db2.gz BFVWKUGHDJGCEM-SWENQFBLSA-N 1 0 493.736 5.147 50 0 JKAARO CC[NH+](CC)CC(=O)N1N=C(c2ccccc2)C[C@H]1c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000014092634 555685282 /nfs/dbraw/zinc/68/52/82/555685282.db2.gz OTQSTMSWQWIBTM-NDEPHWFRSA-N 1 0 477.612 5.559 50 0 JKAARO COc1ccc(/C=C2\Sc3ccc(C(=O)NCC[NH+](CC(C)C)CC(C)C)cc3N(C)C2=O)cc1 ZINC000020179651 555685622 /nfs/dbraw/zinc/68/56/22/555685622.db2.gz QGUNRYKCDOBZFC-YSMPRRRNSA-N 1 0 495.689 5.149 50 0 JKAARO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2ccc3c(c2)N(C)C(=O)/C(=C/c2ccccc2F)S3)C1 ZINC000020179974 555686142 /nfs/dbraw/zinc/68/61/42/555686142.db2.gz SKGLJMQUKPTMGO-UDHVIVJUSA-N 1 0 481.637 5.033 50 0 JKAARO O=C(CSC(c1ccc(F)cc1)c1ccc(F)cc1)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000014095067 555687568 /nfs/dbraw/zinc/68/75/68/555687568.db2.gz FLMNLEPLEOKSAH-UHFFFAOYSA-N 1 0 452.570 6.022 50 0 JKAARO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)CN2C(=O)/C(=C\c3cccc(Cl)c3)Sc3ccccc32)C1 ZINC000020181098 555687890 /nfs/dbraw/zinc/68/78/90/555687890.db2.gz AQYNJQLGLPYHEP-VHEBRAQUSA-N 1 0 498.092 5.304 50 0 JKAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)CN1C(=O)/C(=C/c2ccccc2F)Sc2ccccc21 ZINC000020181193 555687990 /nfs/dbraw/zinc/68/79/90/555687990.db2.gz MYIWWTPHXVNFKQ-SLTFVWKPSA-N 1 0 481.637 5.076 50 0 JKAARO C[C@@H]1CCC[N@H+](CCCNC(=O)CN2C(=O)/C(=C\c3ccc(Cl)cc3)Sc3ccccc32)C1 ZINC000020181397 555688626 /nfs/dbraw/zinc/68/86/26/555688626.db2.gz XMYICNOLINTOCE-GXDFBKAQSA-N 1 0 484.065 5.058 50 0 JKAARO CCc1ccc(/C=C2/Sc3ccccc3N(CC(=O)NCCC[N@H+]3CCCC[C@H]3CC)C2=O)cc1 ZINC000020181649 555688784 /nfs/dbraw/zinc/68/87/84/555688784.db2.gz KDCUHRUWXNCTEV-CCUBOOHYSA-N 1 0 491.701 5.500 50 0 JKAARO Cc1ccc(-c2csc3[nH]c(C[NH2+][C@H](c4ccc5c(c4)OCCO5)C(C)C)nc(=O)c23)s1 ZINC000014123988 555695573 /nfs/dbraw/zinc/69/55/73/555695573.db2.gz GBFLHRYFSYTYHO-QFIPXVFZSA-N 1 0 467.616 5.280 50 0 JKAARO CCc1ccc(-c2cc(C(=O)N[C@H](C)C[NH+]3CCC(C)CC3)c3cc(Br)ccc3n2)cc1 ZINC000020212629 555705897 /nfs/dbraw/zinc/70/58/97/555705897.db2.gz MFXHVUHFPRIWJM-LJQANCHMSA-N 1 0 494.477 6.077 50 0 JKAARO CCc1ccc(-c2cc(C(=O)N[C@@H](C)C[NH+]3CCC(C)CC3)c3cc(Br)ccc3n2)cc1 ZINC000020212624 555706008 /nfs/dbraw/zinc/70/60/08/555706008.db2.gz MFXHVUHFPRIWJM-IBGZPJMESA-N 1 0 494.477 6.077 50 0 JKAARO CCc1ccc(-c2cc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)c3cc(Cl)ccc3n2)s1 ZINC000020212963 555706504 /nfs/dbraw/zinc/70/65/04/555706504.db2.gz DJKQWMSJIOQZIK-UHFFFAOYSA-N 1 0 490.072 6.574 50 0 JKAARO Cc1oc(-c2ccc(Cl)cc2)nc1C[N@H+]1CCC[C@@H](C(=O)N[C@H](C)CCc2ccccc2)C1 ZINC000020240860 555736098 /nfs/dbraw/zinc/73/60/98/555736098.db2.gz DMHYDHSMSSMSFU-AUSIDOKSSA-N 1 0 466.025 5.653 50 0 JKAARO Cc1oc(-c2ccc(Cl)cc2)nc1C[NH+]1CCC(C(=O)N[C@@H](C)CCc2ccccc2)CC1 ZINC000020240732 555736109 /nfs/dbraw/zinc/73/61/09/555736109.db2.gz ZXMCHSCOXMYSFV-IBGZPJMESA-N 1 0 466.025 5.653 50 0 JKAARO Cc1oc(-c2ccccc2C)nc1C[NH+]1CCC(C(=O)NCCc2ccc(Cl)cc2)CC1 ZINC000020240758 555736172 /nfs/dbraw/zinc/73/61/72/555736172.db2.gz YHVLPJKSNKHPAK-UHFFFAOYSA-N 1 0 451.998 5.183 50 0 JKAARO CCCCn1c(=S)n(CN2CCC[C@@H]2c2cc(OC)ccc2OC)nc1[C@H](CC)[NH+](C)C ZINC000014229698 555736639 /nfs/dbraw/zinc/73/66/39/555736639.db2.gz RGMISIFYKJPALE-LEWJYISDSA-N 1 0 461.676 5.039 50 0 JKAARO C[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(CCCNC(=O)/C=C/c2cccc(C(F)(F)F)c2)CC1 ZINC000020241393 555736928 /nfs/dbraw/zinc/73/69/28/555736928.db2.gz BRZHXABSYVVAHO-SJUVIOCWSA-N 1 0 465.604 5.200 50 0 JKAARO Cc1c(Cl)ccc2c(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc(-c3ccccc3)nc12 ZINC000020295526 555763850 /nfs/dbraw/zinc/76/38/50/555763850.db2.gz PNJFZWBJZLBIEH-UHFFFAOYSA-N 1 0 470.016 6.258 50 0 JKAARO Cc1cccc(/C=C2/Sc3ccc(C(=O)NCCC[NH+]4C[C@@H](C)C[C@H](C)C4)cc3NC2=O)c1 ZINC000020355291 555782981 /nfs/dbraw/zinc/78/29/81/555782981.db2.gz IPCMMRUQCCKFLM-IKYHASTISA-N 1 0 463.647 5.178 50 0 JKAARO CCCOc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCC[NH+](CC)CC)cc1 ZINC000011614723 555791235 /nfs/dbraw/zinc/79/12/35/555791235.db2.gz KHCCBPDHRVHPHU-VWLOTQADSA-N 1 0 462.590 5.167 50 0 JKAARO Cc1ccc(C)c(C[NH+]2CCC(CNC(=O)[C@H](c3ccccc3)N3Cc4ccccc4C3=O)CC2)c1 ZINC000020531113 555798473 /nfs/dbraw/zinc/79/84/73/555798473.db2.gz NZRQDYNQCOTUEV-LJAQVGFWSA-N 1 0 481.640 5.029 50 0 JKAARO Cc1ccc(NC(=O)N[C@H](CCC(C)C)c2c3c(sc2-n2cccc2)C[N@@H+](C)CC3)cc1F ZINC000020532169 555800462 /nfs/dbraw/zinc/80/04/62/555800462.db2.gz ZGCZAXXBIJHCLO-JOCHJYFZSA-N 1 0 468.642 6.273 50 0 JKAARO COc1cc(NC(=O)N[C@@H](CCC(C)C)c2c3c(sc2-n2cccc2)C[N@@H+](C)CC3)cc(OC)c1 ZINC000020532173 555800541 /nfs/dbraw/zinc/80/05/41/555800541.db2.gz MNOBFYRPTLGTRT-QHCPKHFHSA-N 1 0 496.677 5.843 50 0 JKAARO CC[N@@H+]1CCc2c(sc(-n3cccc3)c2[C@H](CCC(C)C)NC(=O)Nc2ccc(C)cc2)C1 ZINC000020532194 555800869 /nfs/dbraw/zinc/80/08/69/555800869.db2.gz BOQXNPXCWGTCRX-QHCPKHFHSA-N 1 0 464.679 6.524 50 0 JKAARO CC[N@@H+]1CCc2c(sc(-n3cccc3)c2[C@H](CCC(C)C)NC(=O)Nc2cccc(OC)c2)C1 ZINC000020532186 555800931 /nfs/dbraw/zinc/80/09/31/555800931.db2.gz BLIJJXZCCXZTQF-QHCPKHFHSA-N 1 0 480.678 6.224 50 0 JKAARO CC[N@@H+]1CCc2c(sc(-n3cccc3)c2[C@@H](CCC(C)C)NC(=O)Nc2ccc(C)c(Cl)c2)C1 ZINC000020532189 555801063 /nfs/dbraw/zinc/80/10/63/555801063.db2.gz UYFOAHUHBORALD-HSZRJFAPSA-N 1 0 499.124 7.178 50 0 JKAARO CC[C@H](NC(=O)Nc1cc(OC)cc(OC)c1)c1c2c(sc1-n1cccc1)C[N@@H+](CC)CC2 ZINC000020532222 555801242 /nfs/dbraw/zinc/80/12/42/555801242.db2.gz GOIGSODDLYIRCB-NRFANRHFSA-N 1 0 468.623 5.207 50 0 JKAARO CC[N@@H+]1CCc2c(sc(-n3cccc3)c2[C@@H](C)NC(=O)NC23CC4CC(CC(C4)C2)C3)C1 ZINC000020532251 555801251 /nfs/dbraw/zinc/80/12/51/555801251.db2.gz MPHGGDSYMPATTP-ZFGQVMFLSA-N 1 0 452.668 5.246 50 0 JKAARO CCOc1ccccc1NC(=O)N[C@@H](CC)c1c2c(sc1-n1cccc1)C[N@@H+](CC)CC2 ZINC000020532217 555801285 /nfs/dbraw/zinc/80/12/85/555801285.db2.gz NNYOCIVDPRSJKI-IBGZPJMESA-N 1 0 452.624 5.588 50 0 JKAARO Cc1ccc(CN(C(=O)Nc2cccc(C(F)(F)F)c2)C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000020532302 555801684 /nfs/dbraw/zinc/80/16/84/555801684.db2.gz KATGVIWCBPYTEG-UHFFFAOYSA-N 1 0 471.523 6.306 50 0 JKAARO Cc1ccc(CN(C(=O)Nc2ccc(Br)c(C)c2)C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000020532303 555801699 /nfs/dbraw/zinc/80/16/99/555801699.db2.gz UCTSFEFWCWZEKH-UHFFFAOYSA-N 1 0 496.449 6.358 50 0 JKAARO CC[N@@H+]1CCc2c(sc(-n3cccc3)c2[C@H](C)NC(=O)NC23CC4CC(CC(C4)C2)C3)C1 ZINC000020532252 555801716 /nfs/dbraw/zinc/80/17/16/555801716.db2.gz MPHGGDSYMPATTP-BALBBAFXSA-N 1 0 452.668 5.246 50 0 JKAARO OCC1(Cc2cccc(C(F)(F)F)c2)CC[NH+](Cc2ccc([C@H]3CCCCO3)s2)CC1 ZINC000011766315 555811743 /nfs/dbraw/zinc/81/17/43/555811743.db2.gz XKARCXNHKOJELE-OAQYLSRUSA-N 1 0 453.570 5.826 50 0 JKAARO COc1cccc(C[C@@H](C2CCN(C(=O)c3ccc(F)cc3Cl)CC2)[N@H+](C)Cc2ccccn2)c1 ZINC000011786202 555819323 /nfs/dbraw/zinc/81/93/23/555819323.db2.gz DXGMNDLXKWXKLT-MHZLTWQESA-N 1 0 496.026 5.478 50 0 JKAARO CN(C(=O)c1ccco1)[C@H](Cc1ccc(F)cc1F)C1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000011786931 555820556 /nfs/dbraw/zinc/82/05/56/555820556.db2.gz JQIWPYDABQICDH-RUZDIDTESA-N 1 0 480.555 5.088 50 0 JKAARO COC(=O)c1sc2nc(C[N@@H+]3CCC[C@@H](C)C3)ccc2c1NC(=O)c1c(F)cccc1Cl ZINC000011787098 555820978 /nfs/dbraw/zinc/82/09/78/555820978.db2.gz RBXLNBQDOMWAMJ-CYBMUJFWSA-N 1 0 475.973 5.360 50 0 JKAARO C[C@H](CC[NH+]1CCC2(CC1)C(=O)N(Cc1ccccn1)C(=O)N2CCc1ccccc1)c1ccccc1 ZINC000014533829 555822315 /nfs/dbraw/zinc/82/23/15/555822315.db2.gz VGAYLJHXXDOUTO-RUZDIDTESA-N 1 0 496.655 5.117 50 0 JKAARO COCCCN1C(=O)N(Cc2ccc3ccccc3c2)C(=O)C12CC[NH+](Cc1sccc1C)CC2 ZINC000014536307 555825290 /nfs/dbraw/zinc/82/52/90/555825290.db2.gz IOFWIFKRXKIZTL-UHFFFAOYSA-N 1 0 491.657 5.045 50 0 JKAARO COc1ccc(C[NH+]2CCC([C@@H](Cc3ccccc3)N(C(=O)c3ccco3)C3CC3)CC2)cc1C ZINC000011812987 555828839 /nfs/dbraw/zinc/82/88/39/555828839.db2.gz DSDRZEUWYWGYTL-HHHXNRCGSA-N 1 0 472.629 5.725 50 0 JKAARO O=C1CC[C@@H]2C[N@@H+](Cc3cc4c(cc3Cl)OCO4)CC[C@@H]2N1Cc1cccc(C(F)(F)F)c1 ZINC000011813595 555829076 /nfs/dbraw/zinc/82/90/76/555829076.db2.gz NLRFRPNWBHPZHV-UZLBHIALSA-N 1 0 480.914 5.101 50 0 JKAARO Cc1cc(C)cc(C[NH+]2CCC3(CC2)C(=O)N(CCCc2cccnc2)C(=O)N3Cc2ccccc2)c1 ZINC000014542052 555832704 /nfs/dbraw/zinc/83/27/04/555832704.db2.gz XQHIJSVRFXNCQP-UHFFFAOYSA-N 1 0 496.655 5.130 50 0 JKAARO C/C(=C\c1ccccc1)C[NH+]1CCC2(C[C@H]2C(=O)NCC2(c3ccccc3)CCOCC2)CC1 ZINC000011840528 555833157 /nfs/dbraw/zinc/83/31/57/555833157.db2.gz NNACXUMGQZGTBL-WWMDMZBBSA-N 1 0 458.646 5.057 50 0 JKAARO CCCCn1c(C[NH+]2CCCCCC2)nc2cc(NC(=O)COc3ccc(Cl)cc3)ccc21 ZINC000020594962 555838588 /nfs/dbraw/zinc/83/85/88/555838588.db2.gz OLRPSEJVCPRSES-UHFFFAOYSA-N 1 0 469.029 5.883 50 0 JKAARO CCCCn1c(C[NH+]2CCCCCC2)nc2cc(NC(=O)c3ccc(OC)c(OC)c3)ccc21 ZINC000020594970 555838713 /nfs/dbraw/zinc/83/87/13/555838713.db2.gz YCIZTBMKYPKRLQ-UHFFFAOYSA-N 1 0 464.610 5.482 50 0 JKAARO O=C(NCCCN1CCC([NH+]2CCCCC2)CC1)c1cc(-c2ccccc2)c(N2CCCCC2)s1 ZINC000020597672 555839246 /nfs/dbraw/zinc/83/92/46/555839246.db2.gz PKZOOIBJJLPRQN-UHFFFAOYSA-N 1 0 494.749 5.476 50 0 JKAARO COc1cccc(-n2c(SC[C@@H]3CCCO3)nnc2C2CC[NH+](Cc3cccc(C)c3)CC2)c1 ZINC000014998386 555842927 /nfs/dbraw/zinc/84/29/27/555842927.db2.gz RFVXZRZALZBMOD-VWLOTQADSA-N 1 0 478.662 5.235 50 0 JKAARO COc1ccc(CN2C(=O)CC[C@@H]3C[N@@H+](CCC4=C(C)CCCC4(C)C)CC[C@@H]32)cc1OC ZINC000014998984 555843336 /nfs/dbraw/zinc/84/33/36/555843336.db2.gz NGNGKNPMXQNOSU-VWNXMTODSA-N 1 0 454.655 5.433 50 0 JKAARO CSc1ccc2cc(CN(CC[NH+](C)C)C(=O)CC3CCCC3)c(-c3cccs3)nc2c1 ZINC000015000587 555845068 /nfs/dbraw/zinc/84/50/68/555845068.db2.gz UYAYRUORZBCZMF-UHFFFAOYSA-N 1 0 467.704 6.156 50 0 JKAARO COc1cccc(C[C@H](C2CC[NH+](Cc3ccc(F)c(OC)c3)CC2)N(C)C(=O)c2ccco2)c1 ZINC000015001510 555846483 /nfs/dbraw/zinc/84/64/83/555846483.db2.gz OOPKDMCRNCIXME-RUZDIDTESA-N 1 0 480.580 5.031 50 0 JKAARO CO[C@H]1[C@H](NC(=O)c2ccsc2)c2ccccc2C12CC[NH+](Cc1ccc(F)cc1F)CC2 ZINC000011870983 555846721 /nfs/dbraw/zinc/84/67/21/555846721.db2.gz NCJVINWPRWORBY-RPWUZVMVSA-N 1 0 468.569 5.060 50 0 JKAARO CO[C@H]1[C@H](NC(=O)c2ccsc2)c2ccccc2C12CC[NH+](Cc1c(C)nn(C(C)C)c1C)CC2 ZINC000011880495 555848668 /nfs/dbraw/zinc/84/86/68/555848668.db2.gz GSSIHKMGXGZVGR-FTJBHMTQSA-N 1 0 492.689 5.176 50 0 JKAARO CC(C)OCCC[NH2+]C1CCN(c2ccc(NC(=O)CCCCc3ccccc3)cc2)CC1 ZINC000015004122 555849315 /nfs/dbraw/zinc/84/93/15/555849315.db2.gz ICYJCWDBLATZOH-UHFFFAOYSA-N 1 0 451.655 5.412 50 0 JKAARO CC[NH+](CC)Cc1cc(-c2ccc3c(c2)OCO3)ccc1OCC(=O)N[C@@H](C)c1cccs1 ZINC000011881269 555849599 /nfs/dbraw/zinc/84/95/99/555849599.db2.gz NZAAMRSRCIJTPM-SFHVURJKSA-N 1 0 466.603 5.242 50 0 JKAARO COc1ccc(C[NH+]2CCC(c3nnc(SCC4CCCCC4)n3C[C@@H]3CCCO3)CC2)cc1 ZINC000015005321 555849946 /nfs/dbraw/zinc/84/99/46/555849946.db2.gz LWTUUYWRNNSOCN-VWLOTQADSA-N 1 0 484.710 5.518 50 0 JKAARO COc1ccc(OC)c(NC(=O)COc2ccc(-c3cccs3)cc2C[NH+]2CCCC2)c1 ZINC000015005617 555850213 /nfs/dbraw/zinc/85/02/13/555850213.db2.gz KDBPAXRGGQNSAP-UHFFFAOYSA-N 1 0 452.576 5.046 50 0 JKAARO CC1=C(CC[N@H+]2C[C@@H](Sc3nc4ccccc4[nH]3)C[C@H]2C(=O)NC(C)C)C(C)(C)CCC1 ZINC000015006419 555850888 /nfs/dbraw/zinc/85/08/88/555850888.db2.gz ZQGBEHCIKXMYOO-CVDCTZTESA-N 1 0 454.684 5.539 50 0 JKAARO COc1ccccc1[C@@H](CNC(=O)c1cc(-c2ccc(Br)cc2)on1)[NH+]1CCC(C)CC1 ZINC000011905343 555853291 /nfs/dbraw/zinc/85/32/91/555853291.db2.gz KXJLNPLYEOWYLU-JOCHJYFZSA-N 1 0 498.421 5.316 50 0 JKAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCCCC1)c1cc(-c2ccc(Br)cc2)on1 ZINC000011905244 555853389 /nfs/dbraw/zinc/85/33/89/555853389.db2.gz OBVJIXFYAVULFJ-LJQANCHMSA-N 1 0 458.356 5.044 50 0 JKAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCCC1)c1cc(-c2ccc(Br)cc2)on1 ZINC000011905246 555853400 /nfs/dbraw/zinc/85/34/00/555853400.db2.gz OBVJIXFYAVULFJ-IBGZPJMESA-N 1 0 458.356 5.044 50 0 JKAARO COc1ccc(-c2cc(C(=O)NC[C@H](c3ccccc3Cl)[NH+]3CCCCCC3)no2)cc1 ZINC000011905407 555853427 /nfs/dbraw/zinc/85/34/27/555853427.db2.gz UDHZIBAJAONAJF-HSZRJFAPSA-N 1 0 453.970 5.351 50 0 JKAARO CN(C(=O)c1cccs1)[C@@H](Cc1ccccc1)C1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000011910674 555858057 /nfs/dbraw/zinc/85/80/57/555858057.db2.gz QHFNXOOFTQRHQO-DEOSSOPVSA-N 1 0 454.586 5.622 50 0 JKAARO CCOc1cc(C[NH+]2CCC([C@H](Cc3ccccc3F)N(C)C(=O)c3cccs3)CC2)ccc1O ZINC000011910786 555858380 /nfs/dbraw/zinc/85/83/80/555858380.db2.gz FVDANEAZESNHHT-DEOSSOPVSA-N 1 0 496.648 5.587 50 0 JKAARO COc1ccc(OC)c2nc(-c3ccc(C)cc3)c(CN(CC[NH+](C)C)C(=O)c3ccco3)cc12 ZINC000011912628 555861636 /nfs/dbraw/zinc/86/16/36/555861636.db2.gz CBYDRDNDCNZZMA-UHFFFAOYSA-N 1 0 473.573 5.024 50 0 JKAARO O=C(NCc1ccccc1)C1CC[NH+]([C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)CC1 ZINC000022011469 555861726 /nfs/dbraw/zinc/86/17/26/555861726.db2.gz BZDOERMTSNCGAO-HHHXNRCGSA-N 1 0 451.570 5.120 50 0 JKAARO C[N@H+](CCc1ccccn1)Cc1ccc2c(c1)CN(C(=O)C[C@H](c1ccco1)c1ccccc1)CCO2 ZINC000011912774 555861988 /nfs/dbraw/zinc/86/19/88/555861988.db2.gz RLYYDKBHIIGWAF-NDEPHWFRSA-N 1 0 495.623 5.292 50 0 JKAARO O=C(C[N@H+](Cc1ccc2c(c1)OCO2)C1CCCC1)Nc1c(Cl)cccc1C(F)(F)F ZINC000022015051 555862064 /nfs/dbraw/zinc/86/20/64/555862064.db2.gz WDAFFJUXFAEWCI-UHFFFAOYSA-N 1 0 454.876 5.471 50 0 JKAARO Cc1cccc(C[NH+]2CCC(c3nnc(SCC4CCCCC4)n3C[C@H]3CCCO3)CC2)n1 ZINC000011912872 555862339 /nfs/dbraw/zinc/86/23/39/555862339.db2.gz LLVYHZPARWLTSC-XMMPIXPASA-N 1 0 469.699 5.213 50 0 JKAARO CC[C@@H]([NH2+]C1CCN(c2ccc(CC(=O)NCCc3cccc(F)c3)cc2)CC1)c1cccs1 ZINC000011913321 555862956 /nfs/dbraw/zinc/86/29/56/555862956.db2.gz QXFYSABUBRUBAT-AREMUKBSSA-N 1 0 479.665 5.498 50 0 JKAARO c1cc(C[NH+]2CCC(c3nnc(SCc4cccnc4)n3Cc3ccccc3)CC2)cs1 ZINC000011913514 555863493 /nfs/dbraw/zinc/86/34/93/555863493.db2.gz HOXOMDBGTIZLIT-UHFFFAOYSA-N 1 0 461.660 5.455 50 0 JKAARO C[NH+]1CCN(Cn2nc(-c3sc4ccccc4c3Cl)n(-c3ccccc3)c2=S)CC1 ZINC000022036786 555865205 /nfs/dbraw/zinc/86/52/05/555865205.db2.gz XOMTWEWDRGPPAJ-UHFFFAOYSA-N 1 0 456.040 5.143 50 0 JKAARO CN(Cc1cscn1)C(=O)[C@@H]1CC12CC[NH+](Cc1ccc(N(C)c3ccccc3)cc1)CC2 ZINC000015069712 555869543 /nfs/dbraw/zinc/86/95/43/555869543.db2.gz PNWNXLNWCOZCIK-VWLOTQADSA-N 1 0 460.647 5.172 50 0 JKAARO Cc1nc2ccccc2c(C)c1CC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000011957154 555869872 /nfs/dbraw/zinc/86/98/72/555869872.db2.gz ZJMBOHVNUMIMHH-UHFFFAOYSA-N 1 0 464.613 5.355 50 0 JKAARO Clc1ccc(COc2ccc(Cl)cc2C[NH2+]C23CC4CC(CC(C4)C2)C3)c(Cl)c1 ZINC000022073907 555870541 /nfs/dbraw/zinc/87/05/41/555870541.db2.gz ZPLGKESOONFVBO-UHFFFAOYSA-N 1 0 450.837 7.284 50 0 JKAARO CC[NH+](CC)[C@H]1CCN(C(=O)c2c(=O)cc(C)n3c2C[C@@H](c2ccsc2)Sc2ccccc2-3)C1 ZINC000015071607 555870828 /nfs/dbraw/zinc/87/08/28/555870828.db2.gz NIHSEULIUQLAAT-CPJSRVTESA-N 1 0 493.698 5.153 50 0 JKAARO CC[NH+](CC)CCNCc1cc(Br)c(OCc2ccccc2Cl)c(OC)c1 ZINC000022075151 555870883 /nfs/dbraw/zinc/87/08/83/555870883.db2.gz JIYVGFLKGFXUFQ-UHFFFAOYSA-N 1 0 455.824 5.122 50 0 JKAARO O=C(NCCC(c1ccccc1)c1ccccc1)[C@@H]1CC12CC[NH+](C/C=C/c1ccco1)CC2 ZINC000015072407 555871139 /nfs/dbraw/zinc/87/11/39/555871139.db2.gz ILBQCIJKDIRFOH-OWNNABMUSA-N 1 0 454.614 5.733 50 0 JKAARO COc1ccccc1C(=O)N[C@@H]1c2ccccc2C2(CC[NH+](Cc3cc(F)ccc3F)CC2)[C@H]1OC ZINC000011981711 555876902 /nfs/dbraw/zinc/87/69/02/555876902.db2.gz JVMRLMTXGLHJPF-SXOMAYOGSA-N 1 0 492.566 5.007 50 0 JKAARO Cc1cccc(C[NH+]2CCC([C@@H](Cc3ccc(F)cc3F)N(C)C(=O)c3ccco3)CC2)c1 ZINC000011998733 555881415 /nfs/dbraw/zinc/88/14/15/555881415.db2.gz OHTGRLFLNOOZIJ-RUZDIDTESA-N 1 0 452.545 5.462 50 0 JKAARO Cc1cccc(C[NH+]2CCC([C@H](Cc3ccc(F)cc3F)N(C)C(=O)c3ccco3)CC2)c1 ZINC000011998731 555881544 /nfs/dbraw/zinc/88/15/44/555881544.db2.gz OHTGRLFLNOOZIJ-VWLOTQADSA-N 1 0 452.545 5.462 50 0 JKAARO CCOc1cc(C[NH+]2CCC3(C[C@@H]3C(=O)NCC3(c4ccccc4)CCCC3)CC2)ccc1OC ZINC000012000144 555882090 /nfs/dbraw/zinc/88/20/90/555882090.db2.gz WSHKZSBKWXEJDE-RUZDIDTESA-N 1 0 476.661 5.324 50 0 JKAARO O=C(c1ccccn1)N([C@H](Cc1ccccc1)C1CC[NH+](Cc2ccccc2Cl)CC1)C1CC1 ZINC000012000635 555882461 /nfs/dbraw/zinc/88/24/61/555882461.db2.gz LVTYKQPHMCQFHT-MUUNZHRXSA-N 1 0 474.048 5.863 50 0 JKAARO COc1ccccc1CC[NH2+][C@H]1CCc2c(sc3ncn(CCc4ccccc4Cl)c(=O)c23)C1 ZINC000012003508 555883179 /nfs/dbraw/zinc/88/31/79/555883179.db2.gz ZKXFSIRKRSTKSJ-FQEVSTJZSA-N 1 0 494.060 5.052 50 0 JKAARO Brc1ccc(-c2csc(N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)n2)cc1 ZINC000015218661 555884792 /nfs/dbraw/zinc/88/47/92/555884792.db2.gz LGKNLQXDKNXVBR-UHFFFAOYSA-N 1 0 490.470 6.484 50 0 JKAARO Cc1cc(C[NH+]2CCC([C@H](Cc3ccc(F)cc3F)N(C)C(=O)c3ccco3)CC2)cc(C)c1O ZINC000012035394 555888460 /nfs/dbraw/zinc/88/84/60/555888460.db2.gz HYGLDJXVLSLLPB-VWLOTQADSA-N 1 0 482.571 5.476 50 0 JKAARO COc1ccc(C[NH+]2CCC(c3nc(-c4ccncc4)ncc3-c3cccc(C)c3)CC2)cc1 ZINC000012037055 555890006 /nfs/dbraw/zinc/89/00/06/555890006.db2.gz WRICCLIXNLEPCT-UHFFFAOYSA-N 1 0 450.586 5.902 50 0 JKAARO COc1ccc(NC(=O)[C@H]2CC23CC[NH+](Cc2ccccc2C(F)(F)F)CC3)cc1Cl ZINC000012039468 555892291 /nfs/dbraw/zinc/89/22/91/555892291.db2.gz CTNDNSQHLUOFKV-GOSISDBHSA-N 1 0 452.904 5.608 50 0 JKAARO C[N@H+](Cc1cc2ccccc2s1)Cc1ccc(OC2CCN(C(=O)Cc3ccsc3)CC2)cc1 ZINC000012039374 555892391 /nfs/dbraw/zinc/89/23/91/555892391.db2.gz ZOHUZFPPBZBLRV-UHFFFAOYSA-N 1 0 490.694 6.207 50 0 JKAARO C[N@@H+]1CCC[C@H](COc2cc(-c3cccc(Cl)c3)cc3c2OCCN(C(=O)c2ccoc2)C3)C1 ZINC000012040029 555892603 /nfs/dbraw/zinc/89/26/03/555892603.db2.gz NOIGTJWBOACGCU-IBGZPJMESA-N 1 0 480.992 5.355 50 0 JKAARO O=C(OC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2n1 ZINC000015319753 555897593 /nfs/dbraw/zinc/89/75/93/555897593.db2.gz PMRMMWVUQKTXJX-JXFKEZNVSA-N 1 0 492.929 5.490 50 0 JKAARO COc1ccc(-c2ccccc2NC(=O)[C@H]2CCC[N@H+](Cc3ccc(O)c(Cl)c3)C2)cc1 ZINC000012058208 555899102 /nfs/dbraw/zinc/89/91/02/555899102.db2.gz RFLFASDGHWWOFX-FQEVSTJZSA-N 1 0 450.966 5.572 50 0 JKAARO c1sc2nc(CN3CCOCC3)nc(NC[C@@H](c3ccccc3)[NH+]3CCCC3)c2c1-c1ccccc1 ZINC000015345975 555899578 /nfs/dbraw/zinc/89/95/78/555899578.db2.gz QJYQPUYTYCKEBE-VWLOTQADSA-N 1 0 499.684 5.440 50 0 JKAARO O[C@H](COC(c1ccc(F)cc1)c1ccc(F)cc1)C[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000015346613 555899631 /nfs/dbraw/zinc/89/96/31/555899631.db2.gz OJGYIUXGMDNGIG-DEOSSOPVSA-N 1 0 494.607 5.921 50 0 JKAARO C[C@@H]1CCC[N@H+](Cc2cc(-c3ccc4c(c3)OCO4)ccc2OCC(=O)N(C)Cc2ccsc2)C1 ZINC000012099502 555906697 /nfs/dbraw/zinc/90/66/97/555906697.db2.gz NENUIJRJMPPSHP-HXUWFJFHSA-N 1 0 492.641 5.413 50 0 JKAARO CO[C@H]1[C@H](NC(=O)c2cccs2)c2ccccc2C12CC[NH+](Cc1ccc(OC(F)F)cc1)CC2 ZINC000012100088 555907426 /nfs/dbraw/zinc/90/74/26/555907426.db2.gz COLGWIUVRLOOKC-RPWUZVMVSA-N 1 0 498.595 5.383 50 0 JKAARO COc1ccc(C[NH+]2CCC(n3c(Cc4ccc(F)cc4)nc4cccnc43)CC2)cc1OC ZINC000012134946 555912969 /nfs/dbraw/zinc/91/29/69/555912969.db2.gz PUVJUCQAKNNXPC-UHFFFAOYSA-N 1 0 460.553 5.016 50 0 JKAARO CC[NH+](CC)CCN(C(=O)c1c(F)cccc1F)c1nc2ccc(Br)cc2s1 ZINC000012140848 555919674 /nfs/dbraw/zinc/91/96/74/555919674.db2.gz DBLURKSAFSJTFQ-UHFFFAOYSA-N 1 0 468.367 5.326 50 0 JKAARO COc1ccc(C[NH+]2CCC([C@H](Cc3ccccc3)N(C(=O)c3ccccn3)C3CC3)CC2)cc1C ZINC000012149209 555920980 /nfs/dbraw/zinc/92/09/80/555920980.db2.gz JSHAWIFTLLBPKB-LJAQVGFWSA-N 1 0 483.656 5.527 50 0 JKAARO CCc1cc2c(cc3n2C[C@@](C)(C(=O)NC2CCC(C)CC2)N(CC[NH+]2CCCCCC2)C3=O)s1 ZINC000015673340 555932563 /nfs/dbraw/zinc/93/25/63/555932563.db2.gz CVNWGLHDJRCCFJ-ZAFMFWTISA-N 1 0 498.737 5.051 50 0 JKAARO Cc1ccsc1C(=O)N1CCC[C@H](COc2ccc(C[NH+]3CCC(c4ccccc4)CC3)cc2)C1 ZINC000012191422 555938899 /nfs/dbraw/zinc/93/88/99/555938899.db2.gz LQQYPBZJZURPEG-VWLOTQADSA-N 1 0 488.697 6.367 50 0 JKAARO O=C(c1ccco1)N([C@H](Cc1ccccc1)C1CC[NH+](C/C=C/c2ccccc2)CC1)C1CC1 ZINC000012192418 555939150 /nfs/dbraw/zinc/93/91/50/555939150.db2.gz KSRIKUKNOFXISI-NRWLJYDGSA-N 1 0 454.614 5.921 50 0 JKAARO CC1(C)C[C@H]([NH2+]Cc2cc3cc4c(cc3n(Cc3cccc(C(F)(F)F)c3)c2=O)CCC4)CCO1 ZINC000012191663 555939201 /nfs/dbraw/zinc/93/92/01/555939201.db2.gz CIIDQJQTPIHCAB-XMMPIXPASA-N 1 0 484.562 5.605 50 0 JKAARO Cc1ccccc1-c1cc2c(c(OC[C@@H]3CCOC3)c1)OCC[N@H+](Cc1cccc3cccnc31)C2 ZINC000012211784 555943137 /nfs/dbraw/zinc/94/31/37/555943137.db2.gz FYEGXGHGWQNFEF-HSZRJFAPSA-N 1 0 480.608 6.020 50 0 JKAARO C[C@@]1(C(=O)NC2CCCCCCC2)Cn2c(-c3ccco3)ccc2C(=O)N1CC[NH+]1CCCCCC1 ZINC000015678260 555943396 /nfs/dbraw/zinc/94/33/96/555943396.db2.gz XSOZDEKSBALUFE-LJAQVGFWSA-N 1 0 494.680 5.068 50 0 JKAARO O=C(c1cncs1)N1CCC(Oc2ccc(C[NH+]3CCC(Cc4ccccc4)CC3)cc2)CC1 ZINC000012212316 555943413 /nfs/dbraw/zinc/94/34/13/555943413.db2.gz DNCUOTYLCAYNJQ-UHFFFAOYSA-N 1 0 475.658 5.281 50 0 JKAARO Cc1ccccc1Cn1cc(CCC(=O)NCCC[N@@H+]2CCc3ccccc3C2)c2ccccc21 ZINC000015678429 555943706 /nfs/dbraw/zinc/94/37/06/555943706.db2.gz ICINIBZVEUDHME-UHFFFAOYSA-N 1 0 465.641 5.495 50 0 JKAARO COC(=O)c1sc2nc(C[N@@H+]3CCC[C@H](C)C3)ccc2c1NC(=O)c1ccccc1Cl ZINC000012242951 555946144 /nfs/dbraw/zinc/94/61/44/555946144.db2.gz CDSBIUDMFPPPGC-AWEZNQCLSA-N 1 0 457.983 5.221 50 0 JKAARO O=C(Nc1cccc(N2CCC([NH2+]CC[C@H](c3ccco3)c3ccc(F)cc3)CC2)c1)c1ccncc1 ZINC000012243012 555946166 /nfs/dbraw/zinc/94/61/66/555946166.db2.gz STHSDPFCZWRXFM-NDEPHWFRSA-N 1 0 498.602 5.847 50 0 JKAARO Cc1ccc(NC(=O)N(Cc2ccc3c(c2)OCO3)C2CC[NH+](Cc3ccccc3)CC2)c(C)c1 ZINC000015679719 555946574 /nfs/dbraw/zinc/94/65/74/555946574.db2.gz WJOZIKPGVCAOQP-UHFFFAOYSA-N 1 0 471.601 5.731 50 0 JKAARO CC[C@@H](C)C[NH+]1CCC(O)(c2ccc3oc(C(=O)N(C)Cc4cccc5cccnc54)cc3c2)CC1 ZINC000012283674 555948943 /nfs/dbraw/zinc/94/89/43/555948943.db2.gz SFQDHOOUXSDFKT-OAQYLSRUSA-N 1 0 485.628 5.583 50 0 JKAARO Cc1oc(-c2ccc(C(=O)NCCC[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)nc1COc1ccccc1 ZINC000015682087 555951484 /nfs/dbraw/zinc/95/14/84/555951484.db2.gz MODSPHFOIHRFIA-NHCUHLMSSA-N 1 0 461.606 5.327 50 0 JKAARO Cc1oc(-c2ccc(C(=O)NCCC[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)nc1COc1ccccc1 ZINC000015682089 555951534 /nfs/dbraw/zinc/95/15/34/555951534.db2.gz MODSPHFOIHRFIA-OYRHEFFESA-N 1 0 461.606 5.327 50 0 JKAARO Cc1oc(-c2ccc(C(=O)NCCC[N@@H+]3CCc4ccccc4C3)cc2)nc1COc1ccc(C)cc1 ZINC000015682149 555951577 /nfs/dbraw/zinc/95/15/77/555951577.db2.gz LPYHIFGGOMLLMU-UHFFFAOYSA-N 1 0 495.623 5.716 50 0 JKAARO Cc1oc(-c2ccc(C(=O)NCCC[NH+]3[C@H](C)CCC[C@H]3C)cc2)nc1CSc1ccccc1 ZINC000015682254 555951581 /nfs/dbraw/zinc/95/15/81/555951581.db2.gz XKMNOQMBMAPTML-NHCUHLMSSA-N 1 0 477.674 6.325 50 0 JKAARO Cc1oc(-c2ccc(C(=O)NCCC[N@@H+]3CCc4ccccc4C3)cc2)nc1CSc1ccccc1 ZINC000015682258 555951703 /nfs/dbraw/zinc/95/17/03/555951703.db2.gz JYNSCDDNPWBVRI-UHFFFAOYSA-N 1 0 497.664 6.121 50 0 JKAARO CC1=C(C)[C@H]([NH2+]C[C@]2(C)CCC[C@]3(C)c4ccc(C(C)C)cc4CC[C@H]23)N(C[C@@H]2CCCO2)C1=O ZINC000012345150 555956253 /nfs/dbraw/zinc/95/62/53/555956253.db2.gz SOKAJMCFNYVCHY-VHEUPOIISA-N 1 0 478.721 6.094 50 0 JKAARO O=C(CCCC[NH+]1CCCCC1)c1ccc2c(c1)/C(=C\c1ccc3c(c1)OCO3)c1ccccc1-2 ZINC000012360523 555957480 /nfs/dbraw/zinc/95/74/80/555957480.db2.gz JHSDAYRDRGDIQU-IMRQLAEWSA-N 1 0 465.593 6.824 50 0 JKAARO O=C(OC[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc2nc(-c3cccs3)cc(C(F)(F)Cl)n2n1 ZINC000012374999 555961753 /nfs/dbraw/zinc/96/17/53/555961753.db2.gz OFMRCMZEVATFDR-RHSMWYFYSA-N 1 0 480.968 5.167 50 0 JKAARO c1ccc(C[NH+]2CCC([C@@H]3Nc4ccccc4C(c4ccccc4)(c4ccccc4)O3)CC2)cc1 ZINC000012376406 555964075 /nfs/dbraw/zinc/96/40/75/555964075.db2.gz APIJLMWKWCHWJI-WJOKGBTCSA-N 1 0 460.621 6.659 50 0 JKAARO c1ccc(C[NH+]2CCC([C@H]3Nc4ccccc4C(c4ccccc4)(c4ccccc4)O3)CC2)cc1 ZINC000012376407 555964197 /nfs/dbraw/zinc/96/41/97/555964197.db2.gz APIJLMWKWCHWJI-HKBQPEDESA-N 1 0 460.621 6.659 50 0 JKAARO O=C(c1cnn2c1nc(-c1ccccc1)cc2C(F)F)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000012376952 555965103 /nfs/dbraw/zinc/96/51/03/555965103.db2.gz SNQPFPZWZVSMGP-UHFFFAOYSA-N 1 0 491.586 5.061 50 0 JKAARO CC1(C)Cc2c(sc(NC(=O)c3cccs3)c2-c2nc3ccccc3s2)C(C)(C)[NH2+]1 ZINC000012378187 555967147 /nfs/dbraw/zinc/96/71/47/555967147.db2.gz GMAFSMLPFHOWFM-UHFFFAOYSA-N 1 0 453.658 6.498 50 0 JKAARO CN1CC[NH+]([C@H](CNc2nc(-c3cccnc3)nc3sc4c(c32)CCCC4)c2cccs2)CC1 ZINC000022917278 555971022 /nfs/dbraw/zinc/97/10/22/555971022.db2.gz OOUVXDFITDFQRT-HXUWFJFHSA-N 1 0 490.702 5.094 50 0 JKAARO CC[NH+]1CCN([C@@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)c2ccc(OC)cc2)CC1 ZINC000022917892 555971872 /nfs/dbraw/zinc/97/18/72/555971872.db2.gz XGJZTPYEAMPUGE-RUZDIDTESA-N 1 0 463.647 5.353 50 0 JKAARO CCC[NH+]1CCN(Cn2nc(-c3ccc(C(C)(C)C)cc3)n(-c3ccc(Cl)cc3)c2=S)CC1 ZINC000022918029 555972010 /nfs/dbraw/zinc/97/20/10/555972010.db2.gz PUOBXRAYSNTCKR-UHFFFAOYSA-N 1 0 484.113 6.006 50 0 JKAARO CCn1c(Cc2ccccc2)nn(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1=S ZINC000022918436 555972315 /nfs/dbraw/zinc/97/23/15/555972315.db2.gz HGKAXQPVDXYDEP-UHFFFAOYSA-N 1 0 483.685 5.389 50 0 JKAARO O[C@H](COc1ccc2oc3ccccc3c2c1)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022924960 555977294 /nfs/dbraw/zinc/97/72/94/555977294.db2.gz FEZUOGZGLNJDFT-SANMLTNESA-N 1 0 492.619 5.733 50 0 JKAARO CSc1ccc(C[NH+]2CCC(c3nnc(SC[C@H]4CCCO4)n3Cc3ccccc3)CC2)cc1 ZINC000012450913 555980797 /nfs/dbraw/zinc/98/07/97/555980797.db2.gz GAOVMQZNVAZHSG-XMMPIXPASA-N 1 0 494.730 5.699 50 0 JKAARO Cc1sc(NC(=O)c2ccco2)c([C@H](c2cccc(C(F)(F)F)c2)[NH+]2C[C@@H](C)C[C@H](C)C2)c1C ZINC000012485581 555987524 /nfs/dbraw/zinc/98/75/24/555987524.db2.gz YIYHGBBJAPVMAK-KXNSMUHISA-N 1 0 490.591 7.296 50 0 JKAARO CC[NH+]1CCN(c2nc3ccc(OC(=O)c4sc5ccccc5c4Cl)cc3s2)CC1 ZINC000012489312 555988633 /nfs/dbraw/zinc/98/86/33/555988633.db2.gz JZZXUIZVGPIXSG-UHFFFAOYSA-N 1 0 458.008 5.526 50 0 JKAARO CCCn1c(CN2CC[NH+](Cc3ccccc3)CC2)nc2cc(NC(=O)c3ccccc3OC)ccc21 ZINC000022936228 555988686 /nfs/dbraw/zinc/98/86/86/555988686.db2.gz PMAAJMOCAIZSTB-UHFFFAOYSA-N 1 0 497.643 5.025 50 0 JKAARO COc1ccc(CN2CCN(C3CC[NH+](Cc4ccccc4)CC3)CC2)cc1OCc1ccccc1 ZINC000022938814 555992167 /nfs/dbraw/zinc/99/21/67/555992167.db2.gz SKAWZVVNKKOLCY-UHFFFAOYSA-N 1 0 485.672 5.056 50 0 JKAARO COc1cc([C@@H]2[NH2+]C[C@H](c3ccc(Cl)cc3Cl)c3c4ccccc4[nH]c32)ccc1OCC(C)C ZINC000012529256 555998710 /nfs/dbraw/zinc/99/87/10/555998710.db2.gz FXJIUWCWFITSLG-ZBLYBZFDSA-N 1 0 495.450 7.343 50 0 JKAARO Cc1ccc2nc(-c3ccccn3)cc(C(=O)NCCC[NH+]3CCC(Cc4ccccc4)CC3)c2c1 ZINC000015782941 556001071 /nfs/dbraw/zinc/00/10/71/556001071.db2.gz RAXWXWNRJDGXSL-UHFFFAOYSA-N 1 0 478.640 5.680 50 0 JKAARO COC(=O)c1c(NCC2CC[NH+](Cc3ccc(C)cc3)CC2)onc1-c1ccc(Cl)cc1 ZINC000015821760 556010203 /nfs/dbraw/zinc/01/02/03/556010203.db2.gz HOBWAIXRPDFGHS-UHFFFAOYSA-N 1 0 453.970 5.414 50 0 JKAARO COc1ccc(CC(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@H+](C(C)C)C3)cc1 ZINC000023109507 556010261 /nfs/dbraw/zinc/01/02/61/556010261.db2.gz VRRCBHWUTCDGJN-UHFFFAOYSA-N 1 0 477.655 5.981 50 0 JKAARO Cc1ccc([C@H]2CC(c3cc(Cl)ccc3O)=NC3(CC[NH+](Cc4ccccc4)CC3)N2)cc1 ZINC000015830250 556016730 /nfs/dbraw/zinc/01/67/30/556016730.db2.gz UKJRLVFFRNOMGC-RUZDIDTESA-N 1 0 460.021 5.870 50 0 JKAARO Cc1cccc(NC(=S)N[C@@H](C)[C@@H](c2cccs2)[NH+]2CCN(c3ccccc3)CC2)c1C ZINC000023182384 556028786 /nfs/dbraw/zinc/02/87/86/556028786.db2.gz XCYJSGVPIHWUHR-OFVILXPXSA-N 1 0 464.704 5.603 50 0 JKAARO Cc1cccc(NC(=S)N[C@@H](C)[C@H](c2cccs2)[NH+]2CCN(c3ccccc3)CC2)c1C ZINC000023182378 556028812 /nfs/dbraw/zinc/02/88/12/556028812.db2.gz XCYJSGVPIHWUHR-SQJMNOBHSA-N 1 0 464.704 5.603 50 0 JKAARO COc1cccc([C@H](c2oc3ccccc3c2NC(=O)c2ccco2)[NH+]2CCC(C)CC2)c1OC ZINC000015859359 556029424 /nfs/dbraw/zinc/02/94/24/556029424.db2.gz HMJMROVORHCBJP-RUZDIDTESA-N 1 0 474.557 6.117 50 0 JKAARO CC1CC[NH+]([C@H](c2oc3ccccc3c2NC(=O)c2cccs2)c2ccccc2Cl)CC1 ZINC000015859401 556029719 /nfs/dbraw/zinc/02/97/19/556029719.db2.gz OYNAYCQHXPMWAY-DEOSSOPVSA-N 1 0 465.018 7.221 50 0 JKAARO Cc1noc(C)c1COc1cccc(C(=O)N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000023188101 556029792 /nfs/dbraw/zinc/02/97/92/556029792.db2.gz UWJPMQMUJNYJKV-UHFFFAOYSA-N 1 0 487.522 5.237 50 0 JKAARO COc1cccc([C@@H](c2oc3ccccc3c2NC(=O)c2ccccc2)[NH+]2CCCCC2)c1OC ZINC000015859550 556030467 /nfs/dbraw/zinc/03/04/67/556030467.db2.gz XJCOCEXVNXANMP-SANMLTNESA-N 1 0 470.569 6.278 50 0 JKAARO Cc1ccc(C(=O)Nc2c3ccccc3oc2[C@H](c2cccc(F)c2)[NH+]2CCC(C)CC2)cc1 ZINC000015859595 556030782 /nfs/dbraw/zinc/03/07/82/556030782.db2.gz CADOFPISYVRGGT-MHZLTWQESA-N 1 0 456.561 6.954 50 0 JKAARO COc1ccc(OC)c([C@@H](c2oc3ccccc3c2NC(=O)c2ccc(C)cc2)[NH+]2CCC(C)CC2)c1 ZINC000015859626 556030988 /nfs/dbraw/zinc/03/09/88/556030988.db2.gz FKIKGEBAWVPLFA-LJAQVGFWSA-N 1 0 498.623 6.832 50 0 JKAARO CC1CC[NH+]([C@@H](CNC(=O)c2cc(-c3ccc(Br)cc3)on2)c2cccs2)CC1 ZINC000015859996 556031799 /nfs/dbraw/zinc/03/17/99/556031799.db2.gz HVPCEGPDCUDRGM-IBGZPJMESA-N 1 0 474.424 5.369 50 0 JKAARO Cc1ccc([C@@H](CNC(=O)c2cc(-c3ccc(Br)cc3)on2)[NH+]2CCC(C)CC2)o1 ZINC000015860534 556031821 /nfs/dbraw/zinc/03/18/21/556031821.db2.gz LOWGUJLAQGCWFP-HXUWFJFHSA-N 1 0 472.383 5.209 50 0 JKAARO O[C@H](COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000023224670 556032367 /nfs/dbraw/zinc/03/23/67/556032367.db2.gz BABYPAJKOFFITR-ATVSQVCMSA-N 1 0 481.080 5.370 50 0 JKAARO Cc1cccc(-c2cc(Nc3cccc(C(=O)N4CCC([NH+]5CCCCC5)CC4)c3)ncn2)c1 ZINC000015863501 556037870 /nfs/dbraw/zinc/03/78/70/556037870.db2.gz YWHWNZOPKPONAU-UHFFFAOYSA-N 1 0 455.606 5.286 50 0 JKAARO CCc1c(C)sc2c1CC[N@H+](Cc1nc(-c3ccc(OC(C)C)cc3)oc1C)[C@@H]2c1ccccc1 ZINC000015864879 556040753 /nfs/dbraw/zinc/04/07/53/556040753.db2.gz WVPIZLWGHPQIJI-MUUNZHRXSA-N 1 0 486.681 7.517 50 0 JKAARO Cc1c(C(=O)C[N@@H+]2CCc3c4c(sc3[C@H]2c2ccccc2)CCCC4)c2ccccc2n1C ZINC000015864840 556040804 /nfs/dbraw/zinc/04/08/04/556040804.db2.gz HFMHONRJQYQYBX-MUUNZHRXSA-N 1 0 454.639 6.257 50 0 JKAARO Cc1ccc(C[NH+]2CCC(CNc3ncnc4scc(-c5ccc(Cl)cc5)c43)CC2)cc1 ZINC000015864923 556040818 /nfs/dbraw/zinc/04/08/18/556040818.db2.gz CKOSOHLOSVJIOP-UHFFFAOYSA-N 1 0 463.050 6.644 50 0 JKAARO CCOc1ccc2oc(=O)cc(C[N@@H+]3CCc4c5c(sc4[C@H]3c3ccccc3)CCCC5)c2c1 ZINC000015864838 556040835 /nfs/dbraw/zinc/04/08/35/556040835.db2.gz UNHYTTNXBPFFMZ-MUUNZHRXSA-N 1 0 471.622 6.280 50 0 JKAARO CCc1c(C)sc2c1CC[N@H+](Cc1nc(-c3ccc(OC)cc3)oc1C)[C@H]2c1ccccc1 ZINC000015864860 556040890 /nfs/dbraw/zinc/04/08/90/556040890.db2.gz SDPSDGFQEZEEIQ-SANMLTNESA-N 1 0 458.627 6.739 50 0 JKAARO O=C(NCCCc1ccccc1)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000015865855 556042475 /nfs/dbraw/zinc/04/24/75/556042475.db2.gz OVHGAEKJGSAYLD-UHFFFAOYSA-N 1 0 483.631 5.790 50 0 JKAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(-c2cc(-c3cccc(C(F)(F)F)c3)n[nH]2)cc1 ZINC000023335169 556044673 /nfs/dbraw/zinc/04/46/73/556044673.db2.gz VSIATDXMTAYWDI-SFHVURJKSA-N 1 0 470.539 5.757 50 0 JKAARO CCC(=O)Nc1ccc(-c2cc(C(=O)N3CCC([NH+]4CCCCC4)CC3)c3ccccc3n2)cc1 ZINC000015868438 556045463 /nfs/dbraw/zinc/04/54/63/556045463.db2.gz XFLVVZGBXFTPHG-UHFFFAOYSA-N 1 0 470.617 5.341 50 0 JKAARO CC[NH+](CC)CCC[C@H](C)NC(=O)c1ccc(-c2[nH]nc3c2CCc2cc(OC)ccc2-3)cc1 ZINC000023336230 556046235 /nfs/dbraw/zinc/04/62/35/556046235.db2.gz XAZJEZMLTAGIQI-IBGZPJMESA-N 1 0 460.622 5.091 50 0 JKAARO CCC[N@H+](CCc1c[nH]c2ccc(NC(=O)C3(c4ccc(Cl)cc4)CCCC3)cc12)CC1CC1 ZINC000023336811 556046841 /nfs/dbraw/zinc/04/68/41/556046841.db2.gz LUMJBECNNVPMDI-UHFFFAOYSA-N 1 0 478.080 6.936 50 0 JKAARO CC[NH+]1CCN([P@](=Nc2ccc(F)cc2)(c2c(C)nn(-c3ccccc3)c2C)C(C)(C)C)CC1 ZINC000012559144 556049617 /nfs/dbraw/zinc/04/96/17/556049617.db2.gz XEIGHXUMSINSAT-UUWRZZSWSA-N 1 0 481.600 6.137 50 0 JKAARO CC[NH+]1CCN([P@@](=Nc2ccccc2Cl)(c2c(C)cn(-c3ccccc3)c2C)C(C)(C)C)CC1 ZINC000012559151 556049626 /nfs/dbraw/zinc/04/96/26/556049626.db2.gz QABVASJZRRORDZ-UMSFTDKQSA-N 1 0 497.067 7.257 50 0 JKAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000012559135 556049681 /nfs/dbraw/zinc/04/96/81/556049681.db2.gz PADOVPMRAHXREZ-IGKIAQTJSA-N 1 0 466.560 5.435 50 0 JKAARO O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@H]([NH2+]CC12CC3CC(CC(C3)C1)C2)c1ccccc1 ZINC000012563635 556058618 /nfs/dbraw/zinc/05/86/18/556058618.db2.gz VONNUPAYOBXJPH-IZKRSNETSA-N 1 0 476.970 6.845 50 0 JKAARO COc1ccccc1N1CC[NH+](Cn2c(COc3ccc(Cl)cc3)nc3ccccc32)CC1 ZINC000012564987 556061551 /nfs/dbraw/zinc/06/15/51/556061551.db2.gz VCTYYTHBOVEVJS-UHFFFAOYSA-N 1 0 462.981 5.057 50 0 JKAARO COc1ccc(-c2cccc(-c3nc(C[NH+]4CCCCCCC4)cs3)c2)c(OC)c1OC ZINC000023447015 556063266 /nfs/dbraw/zinc/06/32/66/556063266.db2.gz HLTNPBWEFLJDRD-UHFFFAOYSA-N 1 0 452.620 6.269 50 0 JKAARO COc1ccc(-c2cccc(-c3nc(C[N@@H+]4CC[C@@H]5CCCC[C@@H]5C4)cs3)c2)c(OC)c1OC ZINC000023455504 556068390 /nfs/dbraw/zinc/06/83/90/556068390.db2.gz NJYKDENOKLUXMC-SIKLNZKXSA-N 1 0 478.658 6.515 50 0 JKAARO Cc1cc(OC[C@H](O)CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)ccc1C(C)C ZINC000023471711 556073819 /nfs/dbraw/zinc/07/38/19/556073819.db2.gz WBZUORWVFTUSPE-HHHXNRCGSA-N 1 0 458.646 5.265 50 0 JKAARO CCOc1ccc(C(=O)Nc2c3ccccc3oc2C(=O)N2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000015942807 556077931 /nfs/dbraw/zinc/07/79/31/556077931.db2.gz PGIZBHMOQQBZLU-UHFFFAOYSA-N 1 0 475.589 5.174 50 0 JKAARO Cc1ccc(NC(=O)c2c(NC(=O)C[NH2+]Cc3ccccc3)sc3c2CC[C@@H](C(C)(C)C)C3)cc1 ZINC000015945922 556082156 /nfs/dbraw/zinc/08/21/56/556082156.db2.gz DKFLUQQNXBLKPF-OAQYLSRUSA-N 1 0 489.685 6.188 50 0 JKAARO CC[NH+](CC)CC(=O)Nc1sc2c(c1C(=O)Nc1ccc(C)cc1)CC[C@H](C(C)(C)C)C2 ZINC000015946076 556082166 /nfs/dbraw/zinc/08/21/66/556082166.db2.gz PVSVSKMOPLOEHD-SFHVURJKSA-N 1 0 455.668 5.740 50 0 JKAARO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1 ZINC000023657361 556082333 /nfs/dbraw/zinc/08/23/33/556082333.db2.gz MEMOQNFVAAZVPY-UHFFFAOYSA-N 1 0 453.508 5.685 50 0 JKAARO CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4ccc(Cl)c(Cl)c4)o2)N3)C1 ZINC000015946379 556082824 /nfs/dbraw/zinc/08/28/24/556082824.db2.gz JFGVMHBIIWVOLQ-HXUWFJFHSA-N 1 0 462.402 6.510 50 0 JKAARO COc1ccccc1NC(=O)c1c(NC(=O)C[NH2+]CCc2ccccc2)sc2c1CCCCC2 ZINC000015946951 556084300 /nfs/dbraw/zinc/08/43/00/556084300.db2.gz HSLGHFZLCYDNCK-UHFFFAOYSA-N 1 0 477.630 5.049 50 0 JKAARO Cc1noc(C)c1CCC(=O)N(CC1CC[NH+](CCc2ccccc2C)CC1)C1CCCC1 ZINC000012587571 556084347 /nfs/dbraw/zinc/08/43/47/556084347.db2.gz BVXKAJJFDLVYCD-UHFFFAOYSA-N 1 0 451.655 5.258 50 0 JKAARO CC[C@H](c1nn(CN(C)Cc2ccc(C(F)(F)F)cc2)c(=S)n1Cc1ccccc1)[NH+](C)C ZINC000023845273 556091495 /nfs/dbraw/zinc/09/14/95/556091495.db2.gz IYASERTVCKZGKG-OAQYLSRUSA-N 1 0 477.600 5.583 50 0 JKAARO Cc1cc(Br)c(NC(=O)[C@@H](C)[NH2+][C@H]2CCCc3ccccc32)c(Br)c1 ZINC000012630883 556093408 /nfs/dbraw/zinc/09/34/08/556093408.db2.gz BEOGAYAWHNPLBW-ACJLOTCBSA-N 1 0 466.217 5.514 50 0 JKAARO O=C(N(c1ccccc1)C1CC[NH+](Cc2ccccc2)CC1)C(Cl)(c1ccccc1)c1ccccc1 ZINC000012651291 556098409 /nfs/dbraw/zinc/09/84/09/556098409.db2.gz WXJUTNFHNUMNQN-UHFFFAOYSA-N 1 0 495.066 6.867 50 0 JKAARO CC(=O)C1=CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](OC(=O)CC[NH+]5CCCCC5)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000012659508 556100083 /nfs/dbraw/zinc/10/00/83/556100083.db2.gz PCQOCZFRNWALDD-QSCORMKDSA-N 1 0 455.683 5.942 50 0 biogenic JKAARO COc1ccc([C@]2(CC[NH2+]C[C@@H]3C(=O)O[C@@H]4C[C@@]5(C)CCCC(C)=C5C[C@H]34)CCOC(C)(C)C2)cc1 ZINC000012660752 556101013 /nfs/dbraw/zinc/10/10/13/556101013.db2.gz UFWINNDKPCZSNS-QNSDVPSUSA-N 1 0 495.704 5.960 50 0 biogenic JKAARO COc1ccc([C@@]2(CC[NH2+]C[C@@H]3C(=O)O[C@@H]4C[C@@]5(C)CCCC(C)=C5C[C@H]34)CCOC(C)(C)C2)cc1 ZINC000012660751 556101049 /nfs/dbraw/zinc/10/10/49/556101049.db2.gz UFWINNDKPCZSNS-HMVOSUCXSA-N 1 0 495.704 5.960 50 0 biogenic JKAARO O=C(CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000012681877 556101601 /nfs/dbraw/zinc/10/16/01/556101601.db2.gz IFNZDTWITBUDSR-UHFFFAOYSA-N 1 0 472.618 5.088 50 0 JKAARO COc1ccc([C@@H](CNC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)[NH+]2CCCC2)cc1 ZINC000012870693 556120916 /nfs/dbraw/zinc/12/09/16/556120916.db2.gz UZBJTGIJVASBQZ-JOCHJYFZSA-N 1 0 484.021 5.229 50 0 JKAARO O=C(N[C@H](OC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(Cl)(Cl)Cl)c1cccc2ccccc21 ZINC000016041279 556121445 /nfs/dbraw/zinc/12/14/45/556121445.db2.gz VRSQERDXHFMAAL-RBDMOPTHSA-N 1 0 469.840 5.547 50 0 JKAARO CC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CC[NH+]5CCCCC5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000012877006 556122110 /nfs/dbraw/zinc/12/21/10/556122110.db2.gz YFNPVWRSYRXVRN-RAEVXBBGSA-N 1 0 485.709 5.303 50 0 biogenic JKAARO COc1ccc(C[N@H+](CC(=O)Nc2cc3c(cc2Cl)OCO3)[C@@H](C)Cc2cccs2)cc1 ZINC000012921443 556140206 /nfs/dbraw/zinc/14/02/06/556140206.db2.gz KFSHSPYEWBVSES-INIZCTEOSA-N 1 0 472.994 5.211 50 0 JKAARO O=C(Nc1ccccc1O)C1CC[NH+]([C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)CC1 ZINC000024835809 556158987 /nfs/dbraw/zinc/15/89/87/556158987.db2.gz AQHYOUSFTNMSQR-AREMUKBSSA-N 1 0 453.542 5.148 50 0 JKAARO C[NH+](C)[C@H](CNC(=O)CSc1nnc(-c2ccccc2Cl)n1C1CCCC1)c1ccccc1 ZINC000012972570 556164053 /nfs/dbraw/zinc/16/40/53/556164053.db2.gz JRVWSESBECIVAQ-JOCHJYFZSA-N 1 0 484.069 5.225 50 0 JKAARO COc1cc(C[NH2+]C[C@]2(C)CCC[C@]3(C)c4ccc(C(C)C)cc4CC[C@H]23)cc(OC)c1OC ZINC000016948583 556183310 /nfs/dbraw/zinc/18/33/10/556183310.db2.gz MPWSUTJLNFWPHG-CCNCKIRNSA-N 1 0 465.678 6.636 50 0 JKAARO CC(C)c1ccc2c(c1)CC[C@@H]1[C@@](C)(C[NH2+]Cc3ccc(OCc4ccccc4)cc3)CCC[C@]21C ZINC000016949691 556183967 /nfs/dbraw/zinc/18/39/67/556183967.db2.gz YOOHGKDQFVKYOV-CKOYEXALSA-N 1 0 481.724 8.189 50 0 JKAARO O=C(Nc1ccc2[nH]cc(CC[N@@H+]3CCc4ccccc4C3)c2c1)c1c(F)c(F)c(F)c(F)c1F ZINC000025145510 556184113 /nfs/dbraw/zinc/18/41/13/556184113.db2.gz SOXXQJUZEMLZAH-UHFFFAOYSA-N 1 0 485.456 5.717 50 0 JKAARO COc1ccc(OC)c(-c2cccc(-c3nc(C[NH+]4CCC(Cc5ccccc5)CC4)cs3)c2)c1 ZINC000025148840 556188438 /nfs/dbraw/zinc/18/84/38/556188438.db2.gz ATXAIWASXDMMLL-UHFFFAOYSA-N 1 0 484.665 6.949 50 0 JKAARO COc1ccc(-c2csc(N3[NH2+]C4=C(C[C@@H](c5ccccc5)CC4)[C@@]3(O)C(F)(F)F)n2)cc1 ZINC000016957524 556188524 /nfs/dbraw/zinc/18/85/24/556188524.db2.gz PMPAMSURRMCKHB-GEQKSPFYSA-N 1 0 473.520 5.830 50 0 JKAARO O[C@]1(C(F)(F)F)C2=C(CCCCC2)[NH2+]N1c1nc(-c2ccc(Br)cc2)cs1 ZINC000016957669 556188845 /nfs/dbraw/zinc/18/88/45/556188845.db2.gz JUNXAMYJJQYKDH-DYVFJYSZSA-N 1 0 460.319 5.580 50 0 JKAARO Cc1cc(C(=O)NCCC[N@H+]2CCCC[C@H]2C)nc2c1c(-c1ccccc1)nn2-c1cccc(F)c1 ZINC000025152431 556193443 /nfs/dbraw/zinc/19/34/43/556193443.db2.gz VKRHKYZFDOTLKT-OAQYLSRUSA-N 1 0 485.607 5.529 50 0 JKAARO CC[NH+]1CCN(c2ccc(NC(=O)c3cc4c(C)nn(-c5ccccc5)c4s3)c(C)c2)CC1 ZINC000025185341 556204406 /nfs/dbraw/zinc/20/44/06/556204406.db2.gz JZXLSAYCFPZUOA-UHFFFAOYSA-N 1 0 459.619 5.098 50 0 JKAARO Cc1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@@H+](C(C)C)C3)c(C)c1 ZINC000017025767 556205096 /nfs/dbraw/zinc/20/50/96/556205096.db2.gz PJEOIAJMWYZABS-UHFFFAOYSA-N 1 0 461.656 6.660 50 0 JKAARO COc1cc(Cl)ccc1NC(=O)COc1ccc(C[NH2+][C@@H]2CCCc3ccccc32)cc1OC ZINC000025259590 556206427 /nfs/dbraw/zinc/20/64/27/556206427.db2.gz GJLWRWLRQDHJJJ-JOCHJYFZSA-N 1 0 480.992 5.542 50 0 JKAARO COc1cc(Cl)ccc1NC(=O)COc1ccc(C[NH2+][C@H]2CCCc3ccccc32)cc1OC ZINC000025259595 556206566 /nfs/dbraw/zinc/20/65/66/556206566.db2.gz GJLWRWLRQDHJJJ-QFIPXVFZSA-N 1 0 480.992 5.542 50 0 JKAARO Clc1ccc(-c2nnc(N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c3ccccc32)cc1 ZINC000025501195 556218408 /nfs/dbraw/zinc/21/84/08/556218408.db2.gz DAEHVJIBYGAANK-UHFFFAOYSA-N 1 0 491.038 6.862 50 0 JKAARO CC(C)[N@@H+]1CCc2c(sc(NC(=O)c3nc4ccccc4s3)c2-c2nc3ccccc3s2)C1 ZINC000017113403 556218383 /nfs/dbraw/zinc/21/83/83/556218383.db2.gz KYOFPCAYPULPNC-UHFFFAOYSA-N 1 0 490.679 6.653 50 0 JKAARO CN(C)c1ccc([C@@H]2Oc3ccc(Cl)cc3C3=C2[C@H](c2ccccc2)N2NC=NC2=N3)cc1 ZINC000025560694 556221223 /nfs/dbraw/zinc/22/12/23/556221223.db2.gz PNTNMFDRXVFTKX-DQEYMECFSA-N 1 0 455.949 5.210 50 0 JKAARO COc1ccc2c(c1)CC[C@H]1[C@@H]3CC[C@H]([NH2+]CCCCCCN4C(=O)CCC4=O)[C@@]3(C)CC[C@H]21 ZINC000025758699 556232109 /nfs/dbraw/zinc/23/21/09/556232109.db2.gz CJHWFIUASFBCKN-ZRJUGLEFSA-N 1 0 466.666 5.219 50 0 in-vitro JKAARO CC[NH+](CC)CCN(C(=O)c1ccc(C(=O)c2ccccc2)cc1)c1nc2c(cccc2C)s1 ZINC000017287576 556251125 /nfs/dbraw/zinc/25/11/25/556251125.db2.gz QLQBJSYQJSGJHU-UHFFFAOYSA-N 1 0 471.626 5.824 50 0 JKAARO CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@H]([NH2+]CCC(C)C)c1ccccc1 ZINC000013062627 556257793 /nfs/dbraw/zinc/25/77/93/556257793.db2.gz WFOFKOTZDHXJJH-HSZRJFAPSA-N 1 0 450.604 5.907 50 0 JKAARO COc1ccccc1[C@H](CNc1ncnc2scc(-c3ccc(Cl)cc3)c21)[NH+]1CCCC1 ZINC000013063203 556259302 /nfs/dbraw/zinc/25/93/02/556259302.db2.gz QLUDRJWPVAVJKS-NRFANRHFSA-N 1 0 465.022 6.269 50 0 JKAARO COc1ccc([C@@H](CNC(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccc(C)c(C)c2)[NH+](C)C)cc1 ZINC000013074365 556275305 /nfs/dbraw/zinc/27/53/05/556275305.db2.gz YOJVEJPEKBQUHT-CCTSKPPLSA-N 1 0 494.639 5.597 50 0 JKAARO CCC(C)(C)c1ccc(OC[C@H](O)C[NH+]2CCN(c3ccc(C)cc3)CC2)c(C(C)(C)CC)c1 ZINC000027571879 556298564 /nfs/dbraw/zinc/29/85/64/556298564.db2.gz KSSJRIHBMASSDK-AREMUKBSSA-N 1 0 466.710 5.932 50 0 JKAARO CC1CC[NH+]([C@@H](CNC(=O)C2C[C@H]3CC[C@@H](C2)C32SCCS2)c2cccs2)CC1 ZINC000027573883 556299536 /nfs/dbraw/zinc/29/95/36/556299536.db2.gz WJQSWKBOZWOWMQ-NXEWRWPSSA-N 1 0 450.739 5.250 50 0 JKAARO Cc1c2cc(Br)ccc2oc1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCCCC1 ZINC000027662671 556301985 /nfs/dbraw/zinc/30/19/85/556301985.db2.gz VFGVKIRLQSRLRM-SFHVURJKSA-N 1 0 461.425 5.912 50 0 JKAARO Cc1ccc(SCc2cc(=O)[nH]c(N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)n2)cc1 ZINC000018219585 556312335 /nfs/dbraw/zinc/31/23/35/556312335.db2.gz QQSILXWVFYGUHV-UHFFFAOYSA-N 1 0 482.653 5.282 50 0 JKAARO CCc1ccc([C@H](CNC(=O)c2cc(-c3cccc(OC)c3)nc3ccccc32)[NH+]2CCCC2)cc1 ZINC000028293060 556329197 /nfs/dbraw/zinc/32/91/97/556329197.db2.gz JTQZOSSPPGUCQA-PMERELPUSA-N 1 0 479.624 6.040 50 0 JKAARO CCc1ccc([C@@H](CNC(=O)c2cc(-c3cccc(OC)c3)nc3ccccc32)[NH+]2CCCC2)cc1 ZINC000028293058 556329271 /nfs/dbraw/zinc/32/92/71/556329271.db2.gz JTQZOSSPPGUCQA-SSEXGKCCSA-N 1 0 479.624 6.040 50 0 JKAARO O[C@H](C[NH2+]C1CCCC1)Cn1c(-c2ccccc2)c(-c2ccccc2)c2ccc3ccccc3c21 ZINC000028296560 556330984 /nfs/dbraw/zinc/33/09/84/556330984.db2.gz ONVQNPHPRUTTJG-HHHXNRCGSA-N 1 0 460.621 7.022 50 0 JKAARO O[C@@H](C[NH2+]C1CCCC1)Cn1c(-c2ccccc2)c(-c2ccccc2)c2ccc3ccccc3c21 ZINC000028296558 556331019 /nfs/dbraw/zinc/33/10/19/556331019.db2.gz ONVQNPHPRUTTJG-MHZLTWQESA-N 1 0 460.621 7.022 50 0 JKAARO Cc1cc2oc(C(=O)NC[C@@H](c3ccc(C(C)(C)C)cc3)[NH+]3CCCCC3)cc(=O)c2cc1Cl ZINC000028402829 556332326 /nfs/dbraw/zinc/33/23/26/556332326.db2.gz PSRNDSJFNMWOBL-QHCPKHFHSA-N 1 0 481.036 6.009 50 0 JKAARO CCc1ccc([C@@H](CNC(=O)c2cc(=O)c3cc(Cl)c(C)cc3o2)[NH+]2CCCCC2)cc1 ZINC000028402833 556332686 /nfs/dbraw/zinc/33/26/86/556332686.db2.gz NGWKKNODHAJBRE-JOCHJYFZSA-N 1 0 452.982 5.274 50 0 JKAARO CCc1ccc([C@H](CNC(=O)c2cc(=O)c3cc(Cl)c(C)cc3o2)[NH+]2CCCCC2)cc1 ZINC000028402837 556332713 /nfs/dbraw/zinc/33/27/13/556332713.db2.gz NGWKKNODHAJBRE-QFIPXVFZSA-N 1 0 452.982 5.274 50 0 JKAARO COc1cccc(-c2cc(C(=O)NC[C@H](c3ccc(C(C)C)cc3)[NH+]3CCCC3)c3ccccc3n2)c1 ZINC000028403067 556332717 /nfs/dbraw/zinc/33/27/17/556332717.db2.gz GURSRVNKCDGKNP-WJOKGBTCSA-N 1 0 493.651 6.601 50 0 JKAARO Cc1ccc(N2CC[NH+](C[C@H](O)Cn3c4ccc(Cl)cc4c4cc(Cl)ccc43)CC2)cc1 ZINC000028464374 556333674 /nfs/dbraw/zinc/33/36/74/556333674.db2.gz DWGJRWQMICUWSN-QFIPXVFZSA-N 1 0 468.428 5.593 50 0 JKAARO O=C(CCN1CC[N@@H+]2CCCC[C@@H]2C1)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21 ZINC000019370548 556346566 /nfs/dbraw/zinc/34/65/66/556346566.db2.gz KAVQQYSUMOZNRQ-GOSISDBHSA-N 1 0 461.553 5.395 50 0 biogenic JKAARO Clc1ccc2c(c1)C[C@H](N1CC[NH+](Cc3ccccc3)CC1)c1cccc(Cl)c1S2 ZINC000019369495 556346579 /nfs/dbraw/zinc/34/65/79/556346579.db2.gz NRQUMGJPAWYFEI-QHCPKHFHSA-N 1 0 455.454 6.560 50 0 JKAARO Fc1ccc(CC[NH+]2CCN([C@@H]3Cc4ccc(F)cc4Sc4cc(F)c(Cl)cc43)CC2)cc1 ZINC000019370910 556347145 /nfs/dbraw/zinc/34/71/45/556347145.db2.gz GXTJFRPSRSMKPD-XMMPIXPASA-N 1 0 489.006 6.366 50 0 JKAARO Fc1ccc(CC[NH+]2CCN([C@H]3Cc4ccc(F)cc4Sc4cc(F)c(Cl)cc43)CC2)cc1 ZINC000019370907 556347162 /nfs/dbraw/zinc/34/71/62/556347162.db2.gz GXTJFRPSRSMKPD-DEOSSOPVSA-N 1 0 489.006 6.366 50 0 JKAARO CCOc1ccc(OC[C@@H](O)C[NH2+]C[C@@H](c2c[nH]c3ccccc32)c2ccccc2Cl)cc1 ZINC000013129712 556353618 /nfs/dbraw/zinc/35/36/18/556353618.db2.gz MBIFMYHWSUMFKT-YADARESESA-N 1 0 464.993 5.381 50 0 JKAARO c1sc2nc(-c3cccnc3)nc(NC3CC[NH+](Cc4ccccc4)CC3)c2c1-c1ccccc1 ZINC000013131570 556357779 /nfs/dbraw/zinc/35/77/79/556357779.db2.gz KFMCCHCQABBFRN-UHFFFAOYSA-N 1 0 477.637 6.497 50 0 JKAARO O[C@@H](Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21)C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000019720756 556361910 /nfs/dbraw/zinc/36/19/10/556361910.db2.gz DDJRRLCZCHXFJP-JOCHJYFZSA-N 1 0 468.428 5.280 50 0 JKAARO COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)[N@H+](CCC1=C(C)CCCC1(C)C)CC2 ZINC000019732593 556363103 /nfs/dbraw/zinc/36/31/03/556363103.db2.gz KVLMXTDGOPNECH-MHZLTWQESA-N 1 0 454.054 7.221 50 0 JKAARO Cc1ccccc1-c1ccc(C[N@H+]2CCc3nnc([C@H](NC(=O)c4ccoc4)C(C)C)n3CC2)cc1 ZINC000019739797 556363646 /nfs/dbraw/zinc/36/36/46/556363646.db2.gz YUIXXYJNRSJNPB-HHHXNRCGSA-N 1 0 483.616 5.032 50 0 JKAARO CC(=O)c1cccc(C[NH+]2CCC(C(=O)Nc3ccc(-c4cc5ccccc5[nH]4)cc3)CC2)c1 ZINC000019740514 556364040 /nfs/dbraw/zinc/36/40/40/556364040.db2.gz CKOBHDRTDKWCCZ-UHFFFAOYSA-N 1 0 451.570 5.888 50 0 JKAARO O[C@H](Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21)C[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000019770906 556368515 /nfs/dbraw/zinc/36/85/15/556368515.db2.gz WDYPLTSTWNHYKB-NRFANRHFSA-N 1 0 488.846 5.938 50 0 JKAARO COc1cc(C)c(C[NH+](CCc2ccc(Cl)cc2Cl)Cc2cc(C)c(OC)cc2C)cc1C ZINC000019772016 556368809 /nfs/dbraw/zinc/36/88/09/556368809.db2.gz OOIWNDNGDOMYOF-UHFFFAOYSA-N 1 0 486.483 7.489 50 0 JKAARO O[C@]1(c2ccc(Br)cc2)CN2CCCCCC2=[N+]1c1ccc(-c2ccccc2)cc1 ZINC000019800804 556378122 /nfs/dbraw/zinc/37/81/22/556378122.db2.gz LZLUCVFUWQMZJK-SANMLTNESA-N 1 0 462.411 5.766 50 0 JKAARO c1sc2ncnc(N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c2c1-c1ccccc1 ZINC000019808605 556379793 /nfs/dbraw/zinc/37/97/93/556379793.db2.gz OIPUHMUBGSZVNI-UHFFFAOYSA-N 1 0 462.622 6.270 50 0 JKAARO Clc1ccc(-c2csc3ncnc(N4CC[NH+](C(c5ccccc5)c5ccccc5)CC4)c23)cc1 ZINC000019809149 556380123 /nfs/dbraw/zinc/38/01/23/556380123.db2.gz JEZMVVTUNKSVLD-UHFFFAOYSA-N 1 0 497.067 6.923 50 0 JKAARO Cc1ccc(C(=O)Nc2ccc(N3CCC([NH+]4CCN(Cc5ncccc5C)CC4)CC3)cc2)c(C)c1 ZINC000019812365 556382578 /nfs/dbraw/zinc/38/25/78/556382578.db2.gz PUARZFSXQLCDIN-UHFFFAOYSA-N 1 0 497.687 5.046 50 0 JKAARO Fc1ccccc1-c1nc2ccccc2c(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000019815146 556382969 /nfs/dbraw/zinc/38/29/69/556382969.db2.gz JTGHAJRVLNHFLU-UHFFFAOYSA-N 1 0 474.583 6.348 50 0 JKAARO Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)CC1 ZINC000019823062 556393071 /nfs/dbraw/zinc/39/30/71/556393071.db2.gz VUXKRTCEGSSCQA-UHFFFAOYSA-N 1 0 460.021 5.169 50 0 JKAARO CC[NH+](CC)CC[C@]1(c2ccccc2)c2ccccc2N(N(C)Cc2ccc(Cl)cc2)C1=O ZINC000031880487 556409295 /nfs/dbraw/zinc/40/92/95/556409295.db2.gz SSMPVWCSQTZZNU-NDEPHWFRSA-N 1 0 462.037 5.752 50 0 JKAARO O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCCCC1)c1cc(-c2ccc3c(c2)OCCO3)on1 ZINC000032622672 556452431 /nfs/dbraw/zinc/45/24/31/556452431.db2.gz LTHLUVOMOFDWAP-JOCHJYFZSA-N 1 0 481.980 5.113 50 0 JKAARO C[NH+](C)CCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000032622877 556452759 /nfs/dbraw/zinc/45/27/59/556452759.db2.gz YBTYKVSPERYRQV-QFIPXVFZSA-N 1 0 452.982 5.241 50 0 JKAARO CC[NH+](CC)CCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000032623766 556453769 /nfs/dbraw/zinc/45/37/69/556453769.db2.gz JHUIETCDVAVJFX-OAQYLSRUSA-N 1 0 493.818 6.030 50 0 JKAARO Cc1nn(-c2ccccc2)c2sc(C(=O)N[C@H]3CC4(CC[NH+](C)CC4)Oc4ccccc43)cc12 ZINC000032676328 556469782 /nfs/dbraw/zinc/46/97/82/556469782.db2.gz MGHLDWMBWFUTQM-QFIPXVFZSA-N 1 0 472.614 5.113 50 0 JKAARO COc1ccc(C[N@H+](Cc2nnc(-c3ccccc3Br)o2)[C@H](C)Cc2cccs2)cc1 ZINC000032836180 556507238 /nfs/dbraw/zinc/50/72/38/556507238.db2.gz SRXMKAKKYPAOAJ-QGZVFWFLSA-N 1 0 498.446 6.203 50 0 JKAARO COc1ccccc1[C@@H](CNC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1)[NH+]1CCCC1 ZINC000032902421 556529413 /nfs/dbraw/zinc/52/94/13/556529413.db2.gz DSPPRFYAMRGGFJ-RUZDIDTESA-N 1 0 467.569 5.584 50 0 JKAARO Cc1ccc(-c2nnc3ccccc3c2C(=O)NCC2CC[NH+](Cc3cccc(C)c3)CC2)cc1 ZINC000032952967 556568212 /nfs/dbraw/zinc/56/82/12/556568212.db2.gz RMIZCDGSFQYACB-UHFFFAOYSA-N 1 0 464.613 5.556 50 0 JKAARO O=C(NCCC[NH+]1CCC(Cc2ccccc2)CC1)c1c2ccccc2nnc1-c1ccccc1 ZINC000032953196 556568451 /nfs/dbraw/zinc/56/84/51/556568451.db2.gz VZNNBBKVFBPLRS-UHFFFAOYSA-N 1 0 464.613 5.371 50 0 JKAARO O=C(NCC1CC[NH+](CCc2ccc(F)cc2)CC1)c1c2ccccc2nnc1-c1ccccc1 ZINC000032953255 556568487 /nfs/dbraw/zinc/56/84/87/556568487.db2.gz WUEROBAWKCPDLP-UHFFFAOYSA-N 1 0 468.576 5.120 50 0 JKAARO CC[N@@H+]1CCc2c(sc(-n3cccc3)c2[C@@H](C)NC(=O)Nc2ccc(Br)cc2)C1 ZINC000008590250 562942572 /nfs/dbraw/zinc/94/25/72/562942572.db2.gz ZTRTXAPXDPSGPC-OAHLLOKOSA-N 1 0 473.440 5.562 50 0 JKAARO CC[C@H](NC(=O)Nc1cc(OC)ccc1OC)c1c2c(sc1-n1cccc1)C[N@@H+](CC)CC2 ZINC000008590238 562942575 /nfs/dbraw/zinc/94/25/75/562942575.db2.gz CAPMBDOURMKUGE-IBGZPJMESA-N 1 0 468.623 5.207 50 0 JKAARO COc1ccccc1Nc1c2cc(NC(=O)c3cccc(OC)c3OC)ccc2[nH+]c2c1CCCC2 ZINC000008591377 562942877 /nfs/dbraw/zinc/94/28/77/562942877.db2.gz USLPIRWVTSYKSK-UHFFFAOYSA-N 1 0 483.568 6.135 50 0 JKAARO CC[NH+](CC)C[C@@H](C)CNC(=O)c1cc(-c2ccc(Br)s2)nc2ccccc21 ZINC000008591677 562942992 /nfs/dbraw/zinc/94/29/92/562942992.db2.gz FRPVPBSHRHWVRG-HNNXBMFYSA-N 1 0 460.441 5.434 50 0 JKAARO COc1ccc(C[N@@H+]2CCC[C@@H](c3nc(-c4ccncc4)ncc3-c3ccccc3C)C2)c(OC)c1 ZINC000019219490 563014763 /nfs/dbraw/zinc/01/47/63/563014763.db2.gz RGVNEPBKBZHMPN-XMMPIXPASA-N 1 0 480.612 5.911 50 0 JKAARO C[C@H](Oc1cc(-c2cnn(C3CC[NH2+]CC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl ZINC000035902488 563121128 /nfs/dbraw/zinc/12/11/28/563121128.db2.gz KTEIFNKAUNYNJU-LBPRGKRZSA-N 1 0 450.345 5.038 50 0 aggregator,in-vitro JKAARO COc1ccccc1[C@@H](C)[NH2+]CC(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000053201226 563205225 /nfs/dbraw/zinc/20/52/25/563205225.db2.gz IHJBXDKSMAFCKB-MRXNPFEDSA-N 1 0 471.479 5.256 50 0 JKAARO Cc1sc(NC(=O)c2ccco2)c([C@H](c2ccccc2)[NH+]2CCN(c3ccccc3)CC2)c1C ZINC000054073002 569589118 /nfs/dbraw/zinc/58/91/18/569589118.db2.gz NXGDGLDPBAJPDT-SANMLTNESA-N 1 0 471.626 6.122 50 0 JKAARO CCCc1cc(N2CC[NH+](CCOc3cccc4ccccc43)CC2)n2nc3nc(C)cc(C)c3c2n1 ZINC000054219942 569589460 /nfs/dbraw/zinc/58/94/60/569589460.db2.gz UQNSXMUYSZHSLG-UHFFFAOYSA-N 1 0 494.643 5.201 50 0 JKAARO Cc1nn2c(nc(C(C)(C)C)cc2N2CC[NH+](Cc3ccccc3)CC2)c1-c1ccc(Cl)cc1 ZINC000054274631 569589622 /nfs/dbraw/zinc/58/96/22/569589622.db2.gz OEBOSRGJWWDMQJ-UHFFFAOYSA-N 1 0 474.052 5.978 50 0 JKAARO Cc1cc(N2CC[NH+](CCOc3cccc4ccccc43)CC2)n2ncc(-c3ccccc3)c2n1 ZINC000054274613 569589626 /nfs/dbraw/zinc/58/96/26/569589626.db2.gz CAKDTBAWYINVTH-UHFFFAOYSA-N 1 0 463.585 5.059 50 0 JKAARO Cc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3N2CC[NH+](Cc3ccccc3)CC2)cc1Cl ZINC000054387957 569590325 /nfs/dbraw/zinc/59/03/25/569590325.db2.gz IHQAQQOHRBUVKD-UHFFFAOYSA-N 1 0 494.042 6.372 50 0 JKAARO CCC[N@H+]1CC(=Cc2cccc3ccccc23)C2=NC(=S)N[C@H](c3cccc4ccccc43)C2C1 ZINC000055028194 569590484 /nfs/dbraw/zinc/59/04/84/569590484.db2.gz CCBFBQSLGTZNJH-FTDJXNPMSA-N 1 0 475.661 6.986 50 0 JKAARO COc1ccc(C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)cc1Br ZINC000055531375 569592073 /nfs/dbraw/zinc/59/20/73/569592073.db2.gz FACGOCHXXFREFK-UHFFFAOYSA-N 1 0 480.406 5.032 50 0 JKAARO COC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(NC(=O)/C=C/c2ccc(C(C)C)cc2)c1 ZINC000057222771 569594721 /nfs/dbraw/zinc/59/47/21/569594721.db2.gz UVMDGSCSVMCDLL-LFIBNONCSA-N 1 0 497.639 5.571 50 0 JKAARO COC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(NC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000057222729 569594791 /nfs/dbraw/zinc/59/47/91/569594791.db2.gz CFZOFLMQOFSHMU-UHFFFAOYSA-N 1 0 485.628 5.345 50 0 JKAARO CCOC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(NC(=O)c2cccc(Cl)c2)c1 ZINC000057222901 569594825 /nfs/dbraw/zinc/59/48/25/569594825.db2.gz YNYJLGDLMZSDLT-UHFFFAOYSA-N 1 0 477.992 5.091 50 0 JKAARO Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)c(Cl)c1 ZINC000057251279 569594874 /nfs/dbraw/zinc/59/48/74/569594874.db2.gz YRLFMTJZJBJXIX-UHFFFAOYSA-N 1 0 479.049 5.097 50 0 JKAARO Clc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2OC32CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000008717711 569596781 /nfs/dbraw/zinc/59/67/81/569596781.db2.gz QYSRCSQYYNOOGP-VWLOTQADSA-N 1 0 478.423 6.529 50 0 JKAARO O=C(Cc1csc(-c2ccsc2)n1)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000057335703 569599091 /nfs/dbraw/zinc/59/90/91/569599091.db2.gz YNLLEUCZRIAXHB-UHFFFAOYSA-N 1 0 474.655 5.375 50 0 JKAARO CN1c2ccccc2C(C)(C)/C1=C/[P@@](=Nc1ccc(F)cc1)(c1ccccc1)N1CC[NH+](C)CC1 ZINC000059347471 569602840 /nfs/dbraw/zinc/60/28/40/569602840.db2.gz QCYRLUWFZOMGLO-CXCYEWJMSA-N 1 0 488.591 6.415 50 0 JKAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1ccc(Cl)cc1)O2 ZINC000032983601 569606913 /nfs/dbraw/zinc/60/69/13/569606913.db2.gz ANDMBLQSINCRKC-MVUTXWCHSA-N 1 0 467.997 5.096 50 0 JKAARO CC[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1ccc(Cl)cc1)O2 ZINC000032983652 569606972 /nfs/dbraw/zinc/60/69/72/569606972.db2.gz WFSDQLVNKGOYFL-OJLHXUGZSA-N 1 0 490.003 5.352 50 0 JKAARO CC[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1ccc(Cl)cc1)O2 ZINC000032983651 569607019 /nfs/dbraw/zinc/60/70/19/569607019.db2.gz WFSDQLVNKGOYFL-XQQQEEOESA-N 1 0 490.003 5.352 50 0 JKAARO CN1N=C2/C(=C/c3ccc(C(F)(F)F)cc3)C[N@@H+](C)C[C@@H]2[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000059607493 569607230 /nfs/dbraw/zinc/60/72/30/569607230.db2.gz KHYACKNGUMLYGX-ULAQWOPESA-N 1 0 453.430 5.712 50 0 JKAARO O=C(c1ccccc1)[C@H]1C[NH+](Cc2ccccc2)C[C@H](C(=O)c2ccccc2)C1c1ccccc1 ZINC000061967327 569609661 /nfs/dbraw/zinc/60/96/61/569609661.db2.gz IPWAFJULWVHAIF-VMPREFPWSA-N 1 0 459.589 6.284 50 0 JKAARO CC1=CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH+]4CCN(c5ccc(Cl)c(Cl)c5)CC4)[C@H]3C=C12 ZINC000061999350 569609925 /nfs/dbraw/zinc/60/99/25/569609925.db2.gz MADVJTISXVRJQY-AMZPDFMZSA-N 1 0 461.433 5.350 50 0 biogenic JKAARO O=C(Nc1ccc2c(c1)OCO2)C1CC[NH+]([C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)CC1 ZINC000062269763 569610456 /nfs/dbraw/zinc/61/04/56/569610456.db2.gz GDSPGJREPNXYLB-HHHXNRCGSA-N 1 0 481.552 5.171 50 0 JKAARO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1ccccc1SC[C@H]1CCCO1 ZINC000062289249 569610630 /nfs/dbraw/zinc/61/06/30/569610630.db2.gz OFMBBHWAHMQGDP-AREMUKBSSA-N 1 0 487.669 5.532 50 0 JKAARO Cc1ccc(-c2ccc(Nc3cccc(C(=O)NCCC[N@@H+](C)Cc4ccccc4)c3)nn2)cc1 ZINC000032996987 569610792 /nfs/dbraw/zinc/61/07/92/569610792.db2.gz NWIGAHYYPYOXOB-UHFFFAOYSA-N 1 0 465.601 5.448 50 0 JKAARO Cc1cccc(-c2ccc(Nc3cccc(C(=O)NC4CC[NH+](Cc5ccccc5)CC4)c3)nn2)c1 ZINC000032996941 569610833 /nfs/dbraw/zinc/61/08/33/569610833.db2.gz GULMXTZZKRDTET-UHFFFAOYSA-N 1 0 477.612 5.590 50 0 JKAARO CCOC(=O)c1c(-c2ccccc2)oc2ccc(OC(=O)c3ccc4c(c3)OCO4)c(C[NH+](C)C)c21 ZINC000062418211 569610899 /nfs/dbraw/zinc/61/08/99/569610899.db2.gz JGGFGFAUSGYRCA-UHFFFAOYSA-N 1 0 487.508 5.286 50 0 JKAARO CC[N@H+](CCCNC(=O)c1cccc(Nc2ccc(-c3ccccc3)nn2)c1)Cc1ccccc1 ZINC000032997033 569610914 /nfs/dbraw/zinc/61/09/14/569610914.db2.gz QSLZEHNINDIADX-UHFFFAOYSA-N 1 0 465.601 5.529 50 0 JKAARO O=C(Nc1ccc(Br)cc1Br)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000062606652 569613006 /nfs/dbraw/zinc/61/30/06/569613006.db2.gz ZMXQYWWTJGZTOC-UHFFFAOYSA-N 1 0 470.230 5.013 50 0 JKAARO CC[NH+](CC)CCOc1cc(NC(=O)c2[nH]c3ccc(Br)cc3c2Cl)ccc1OC ZINC000062626343 569613748 /nfs/dbraw/zinc/61/37/48/569613748.db2.gz LWDPZBOTWMBGOL-UHFFFAOYSA-N 1 0 494.817 5.565 50 0 JKAARO Cc1cc(CSc2ccccc2C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)no1 ZINC000062731520 569614705 /nfs/dbraw/zinc/61/47/05/569614705.db2.gz IZOCEUHOYAITNO-UHFFFAOYSA-N 1 0 498.652 5.850 50 0 JKAARO COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)C[NH2+][C@H](C)c1cccc2ccccc21 ZINC000062734766 569614810 /nfs/dbraw/zinc/61/48/10/569614810.db2.gz HHIXYLLNOLFMGL-LJQANCHMSA-N 1 0 483.568 5.399 50 0 JKAARO Cc1ccc(C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)cc1NC(=O)c1ccco1 ZINC000062734764 569614831 /nfs/dbraw/zinc/61/48/31/569614831.db2.gz LXNSUQQNFFWUMX-UHFFFAOYSA-N 1 0 494.595 5.415 50 0 JKAARO Cc1c(C[NH2+]CCC[N@H+](Cc2ccccc2)C(C)C)c(C(=O)[O-])c(C)n1Cc1cccc(C)c1 ZINC000063666776 569615881 /nfs/dbraw/zinc/61/58/81/569615881.db2.gz LNOQUJUTIPBMIX-UHFFFAOYSA-N 1 0 461.650 5.550 50 0 JKAARO COc1ccc(Cn2c(C)c(C[NH2+]CCC[N@H+](Cc3ccccc3)C(C)C)c(C(=O)[O-])c2C)cc1 ZINC000063666804 569616020 /nfs/dbraw/zinc/61/60/20/569616020.db2.gz VHQRDGVULBZPJJ-UHFFFAOYSA-N 1 0 477.649 5.250 50 0 JKAARO CC[N@H+](CCNC(=O)c1cccc(Nc2cc(-c3ccc(C)cc3)ncn2)c1)Cc1ccccc1 ZINC000033010573 569616781 /nfs/dbraw/zinc/61/67/81/569616781.db2.gz VCGVVLODEXFPHI-UHFFFAOYSA-N 1 0 465.601 5.448 50 0 JKAARO CC[N@H+](CCCNC(=O)c1cccc(Nc2cc(-c3ccc(C)cc3)ncn2)c1)Cc1ccccc1 ZINC000033010578 569616792 /nfs/dbraw/zinc/61/67/92/569616792.db2.gz OHCPEUGRYLDJTN-UHFFFAOYSA-N 1 0 479.628 5.838 50 0 JKAARO c1ccc(-c2nc3sc(N4CC[NH+](C5CCCCC5)CC4)nn3c2NC2CCCC2)cc1 ZINC000064746099 569625165 /nfs/dbraw/zinc/62/51/65/569625165.db2.gz JYGJKLWNBYXYPW-UHFFFAOYSA-N 1 0 450.656 5.267 50 0 JKAARO Fc1cccc(-c2nc3sc(N4CC[NH+](C5CCCCC5)CC4)nn3c2NC2CCCC2)c1 ZINC000064746096 569625180 /nfs/dbraw/zinc/62/51/80/569625180.db2.gz GWWDFJLMPDZFLF-UHFFFAOYSA-N 1 0 468.646 5.406 50 0 JKAARO Fc1cccc(-c2nc3sc(N4CC[NH+](C5CCCCC5)CC4)nn3c2NC2CCCCCC2)c1 ZINC000064746112 569625263 /nfs/dbraw/zinc/62/52/63/569625263.db2.gz NLSRHBBFRYAHFE-UHFFFAOYSA-N 1 0 496.700 6.186 50 0 JKAARO Cc1ccccc1C[NH+]1CCN(c2nn3c(nc(-c4ccccc4)c3NC(C)(C)C)s2)CC1 ZINC000064746785 569625788 /nfs/dbraw/zinc/62/57/88/569625788.db2.gz CDAWLBCNUJMSFM-UHFFFAOYSA-N 1 0 460.651 5.299 50 0 JKAARO Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)N3c4ccc(C)cc4[C@H]4C[N@H+](C)CC[C@@H]43)cc12 ZINC000033742648 569633238 /nfs/dbraw/zinc/63/32/38/569633238.db2.gz VMZVMGWPJXZHKE-GGAORHGYSA-N 1 0 477.033 5.805 50 0 JKAARO CC[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)Cn1c(-c2cccs2)cc2cc(Cl)ccc21 ZINC000064816536 569633531 /nfs/dbraw/zinc/63/35/31/569633531.db2.gz YZBXCZLGFGKXPD-QFIPXVFZSA-N 1 0 466.050 6.050 50 0 JKAARO Cc1ccc(C[NH+]2CCC(CNC(=O)Cn3c(-c4cccs4)cc4cc(Cl)ccc43)CC2)cc1 ZINC000064816531 569633548 /nfs/dbraw/zinc/63/35/48/569633548.db2.gz KPKGIRFPHRUUKA-UHFFFAOYSA-N 1 0 492.088 6.360 50 0 JKAARO c1ccc(COc2ccccc2O[C@H](CCN2CC[NH+](Cc3ccccc3)CC2)c2ccccc2)cc1 ZINC000033876658 569636853 /nfs/dbraw/zinc/63/68/53/569636853.db2.gz NOVKCRPJQZXSJH-WJOKGBTCSA-N 1 0 492.663 6.594 50 0 JKAARO CC[NH+](CC)CCC[C@@H](C)Nc1nc(/C=C/c2ccccc2Cl)nc2cc(Cl)ccc21 ZINC000033956744 569639413 /nfs/dbraw/zinc/63/94/13/569639413.db2.gz GBQQMZXOLGTRKW-NKAIQICCSA-N 1 0 457.449 7.029 50 0 JKAARO CCN1c2ccccc2S/C1=C/C1=C/C(=C/c2sc3ccccc3[n+]2CC)CC(C)(C)C1 ZINC000034027191 569639568 /nfs/dbraw/zinc/63/95/68/569639568.db2.gz JTVPZRRGCFEMJV-UHFFFAOYSA-N 1 0 459.704 7.812 50 0 JKAARO CC[C@@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@@H+](Cc1ccccc1)CC2)C(=O)NCc1ccncc1 ZINC000034671590 569640771 /nfs/dbraw/zinc/64/07/71/569640771.db2.gz POXGBABHUZQVAD-FIRIVFDPSA-N 1 0 491.635 5.703 50 0 JKAARO CC[C@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@@H+](Cc1cccc(C)c1)CC2)C(=O)NCCOC ZINC000034671642 569640821 /nfs/dbraw/zinc/64/08/21/569640821.db2.gz QPSONGGBLIJULB-URLMMPGGSA-N 1 0 472.629 5.063 50 0 JKAARO Cc1cccc(C[N@H+]2CCc3ccc(O[C@@H](C)C(=O)NCCC(C)C)cc3[C@@H]2c2ccccc2)c1 ZINC000034671842 569640932 /nfs/dbraw/zinc/64/09/32/569640932.db2.gz AYYONEXDWRYLLW-NGQVCNFZSA-N 1 0 470.657 6.072 50 0 JKAARO CCCNC(=O)[C@@H](CC)Oc1ccc2c(c1)[C@H](c1ccccc1)[N@@H+](Cc1cccc(C)c1)CC2 ZINC000034671699 569640987 /nfs/dbraw/zinc/64/09/87/569640987.db2.gz SQTNFYWNXNCNAR-WDYNHAJCSA-N 1 0 456.630 5.826 50 0 JKAARO CC[C@H](Oc1ccc2c(c1)[C@H](c1ccccc1)[N@@H+](Cc1cccc(C)c1)CC2)C(=O)NC(C)C ZINC000034671670 569641009 /nfs/dbraw/zinc/64/10/09/569641009.db2.gz WSKMESBHYOFRMV-VMPREFPWSA-N 1 0 456.630 5.825 50 0 JKAARO Cc1cccc(C[N@H+]2CCc3ccc(O[C@@H](C)C(=O)NCCC(C)C)cc3[C@H]2c2ccccc2)c1 ZINC000034671845 569641014 /nfs/dbraw/zinc/64/10/14/569641014.db2.gz AYYONEXDWRYLLW-QABMSTFYSA-N 1 0 470.657 6.072 50 0 JKAARO Fc1cccc(CN2CCN(c3nc4ccccc4c4nnc(-c5ccc(Cl)cc5)n43)CC2)c1F ZINC000034675345 569641083 /nfs/dbraw/zinc/64/10/83/569641083.db2.gz HMGUFPMNXMSYSM-UHFFFAOYSA-N 1 0 490.945 5.198 50 0 JKAARO CC[C@H](C(=O)Nc1ccc(N2CCC[N@H+](Cc3cccc(C(F)(F)F)c3)CC2)nc1)c1ccccc1 ZINC000034681885 569643478 /nfs/dbraw/zinc/64/34/78/569643478.db2.gz XTPJLBMZTVZOFW-VWLOTQADSA-N 1 0 496.577 5.945 50 0 JKAARO O=C(Nc1ccc(N2CCC[N@H+](Cc3ccccc3)CC2)nc1)c1cccc(C(F)(F)F)c1 ZINC000034681772 569643491 /nfs/dbraw/zinc/64/34/91/569643491.db2.gz RJLVBTXRKUFDMP-UHFFFAOYSA-N 1 0 454.496 5.065 50 0 JKAARO COc1cccc(N(C(=O)c2ccc(C)cc2)C2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)c1 ZINC000034682695 569643921 /nfs/dbraw/zinc/64/39/21/569643921.db2.gz QSAMXXFAXUBJRA-UHFFFAOYSA-N 1 0 456.630 6.438 50 0 JKAARO Cc1ccc(C(=O)N(c2ccc(F)cc2)C2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000034682637 569643981 /nfs/dbraw/zinc/64/39/81/569643981.db2.gz RDOQGSRBUYRZKF-UHFFFAOYSA-N 1 0 470.510 6.464 50 0 JKAARO COc1ccc(C[NH+]2CCC(N(C(=O)c3ccccc3F)c3ccc(F)cc3)CC2)c(OC)c1 ZINC000034682648 569644018 /nfs/dbraw/zinc/64/40/18/569644018.db2.gz GBAQYXYOKVHQGI-UHFFFAOYSA-N 1 0 466.528 5.293 50 0 JKAARO COc1ccccc1C(=O)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC000034682679 569644036 /nfs/dbraw/zinc/64/40/36/569644036.db2.gz ALZJRSRBUHHASS-UHFFFAOYSA-N 1 0 460.593 6.269 50 0 JKAARO COc1cccc(C[NH+]2CCC(N(C(=O)c3ccccc3)c3ccc(C)c(F)c3)CC2)c1OC ZINC000034682732 569644134 /nfs/dbraw/zinc/64/41/34/569644134.db2.gz VHNVDYMRTOYKLV-UHFFFAOYSA-N 1 0 462.565 5.463 50 0 JKAARO COc1ccccc1C(=O)N(c1cccc(C)c1)C1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC000034683052 569644136 /nfs/dbraw/zinc/64/41/36/569644136.db2.gz BILMZMWRPFZDOB-UHFFFAOYSA-N 1 0 456.630 6.438 50 0 JKAARO COc1ccc(N(C(=O)c2ccc(F)cc2)C2CC[NH+](Cc3ccsc3)CC2)cc1OC ZINC000034682841 569644166 /nfs/dbraw/zinc/64/41/66/569644166.db2.gz AHBOENZWDZAYJB-UHFFFAOYSA-N 1 0 454.567 5.216 50 0 JKAARO COc1ccc(C(=O)N(c2cccc(OC)c2)C2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)cc1 ZINC000034683175 569644250 /nfs/dbraw/zinc/64/42/50/569644250.db2.gz DWSSCFUGHKSDEM-UHFFFAOYSA-N 1 0 472.629 6.139 50 0 JKAARO COc1ccc(C(=O)N(c2cccc(OC)c2)C2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000034683165 569644284 /nfs/dbraw/zinc/64/42/84/569644284.db2.gz BPXXEVWMTMSIPA-UHFFFAOYSA-N 1 0 464.993 5.669 50 0 JKAARO COc1ccc(C(=O)N(c2cccc(OC)c2)C2CC[NH+](Cc3ccc(OC)cc3OC)CC2)cc1 ZINC000034683173 569644381 /nfs/dbraw/zinc/64/43/81/569644381.db2.gz LCQKNEZJHRNNEG-UHFFFAOYSA-N 1 0 490.600 5.032 50 0 JKAARO O=C(c1ccccc1F)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccccc2C(F)(F)F)CC1 ZINC000034683571 569644516 /nfs/dbraw/zinc/64/45/16/569644516.db2.gz JCRGYUGQTJDMBN-UHFFFAOYSA-N 1 0 474.473 6.295 50 0 JKAARO Cc1ccc(N(C2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)S(=O)(=O)c2ccccc2C)cc1 ZINC000034683806 569644685 /nfs/dbraw/zinc/64/46/85/569644685.db2.gz OMQAEIYTXWLCKV-UHFFFAOYSA-N 1 0 476.686 6.287 50 0 JKAARO Cc1ccc(N(C2CC[NH+](Cc3cccs3)CC2)S(=O)(=O)c2ccc(F)cc2)cc1F ZINC000034683885 569644759 /nfs/dbraw/zinc/64/47/59/569644759.db2.gz NSNRWNZDEFMVBV-UHFFFAOYSA-N 1 0 462.587 5.195 50 0 JKAARO Cc1ccc(N(C2CC[NH+](Cc3ccc(C)c(C)c3)CC2)S(=O)(=O)c2cccc(C)c2)cc1 ZINC000034683966 569644791 /nfs/dbraw/zinc/64/47/91/569644791.db2.gz BZIOYGUCGYLMBA-UHFFFAOYSA-N 1 0 462.659 5.780 50 0 JKAARO Cc1ccc(S(=O)(=O)N(c2ccc(C)c(F)c2)C2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000034683880 569644795 /nfs/dbraw/zinc/64/47/95/569644795.db2.gz HTMICNLVOZTVRF-UHFFFAOYSA-N 1 0 458.624 5.364 50 0 JKAARO C[C@H](NC(=O)c1coc(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)n1)c1ccccc1 ZINC000034684538 569644922 /nfs/dbraw/zinc/64/49/22/569644922.db2.gz OTTKFKAOQGPNRL-QHCPKHFHSA-N 1 0 480.612 5.073 50 0 JKAARO CN(Cc1ccco1)C(=O)COc1ccc2c(c1)[C@H](c1ccccc1)[N@@H+](Cc1ccccc1)CC2 ZINC000034686591 569645431 /nfs/dbraw/zinc/64/54/31/569645431.db2.gz MEEACHBYUVXTKM-PMERELPUSA-N 1 0 466.581 5.465 50 0 JKAARO O=C(c1ccccc1)N1C[C@H](C[NH+]2CCN(c3ccccc3)CC2)[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000034698067 569647682 /nfs/dbraw/zinc/64/76/82/569647682.db2.gz ANTDKDJIYJLVKZ-IGKIAQTJSA-N 1 0 493.573 5.383 50 0 JKAARO COc1ccccc1[C@@H]1CN(C(=O)C2CCCC2)C[C@@H]1C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000034698545 569647828 /nfs/dbraw/zinc/64/78/28/569647828.db2.gz DYAUMHHBMBQVDP-XTEPFMGCSA-N 1 0 460.662 5.382 50 0 JKAARO O=C(c1ccccc1)N(C[C@H]1C[N@@H+](Cc2ccco2)C[C@@H]1c1cccc(F)c1)C1CCCCC1 ZINC000034698706 569647864 /nfs/dbraw/zinc/64/78/64/569647864.db2.gz 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COc1ccccc1CCNC(=O)[C@H]1C[C@@H](c2cccc(C)c2)C[N@H+](Cc2ccccc2F)C1 ZINC000034733523 569653414 /nfs/dbraw/zinc/65/34/14/569653414.db2.gz USROVCQNBKJARQ-FTJBHMTQSA-N 1 0 460.593 5.107 50 0 JKAARO COc1ccc(NC(=O)[C@H]2C[C@H](c3ccccc3)C[N@H+](Cc3ccc(F)cc3F)C2)c(OC)c1 ZINC000034733441 569653449 /nfs/dbraw/zinc/65/34/49/569653449.db2.gz JVMLLBZFXANGEU-SFTDATJTSA-N 1 0 466.528 5.226 50 0 JKAARO COc1ccc(NC(=O)[C@@H]2C[C@H](c3ccccc3)C[N@H+](Cc3ccc(F)cc3F)C2)c(OC)c1 ZINC000034733438 569653582 /nfs/dbraw/zinc/65/35/82/569653582.db2.gz JVMLLBZFXANGEU-LEWJYISDSA-N 1 0 466.528 5.226 50 0 JKAARO Cc1ccc(-c2ncn(C3CCCCC3)c2-c2ccc(C(=O)NCCC[NH+]3CCCC3)o2)cc1 ZINC000065036840 569653649 /nfs/dbraw/zinc/65/36/49/569653649.db2.gz GYZRVSVFZRHGMA-UHFFFAOYSA-N 1 0 460.622 5.839 50 0 JKAARO COc1cc(C[N@@H+]2C[C@H](C(=O)NCCc3ccccc3OC)CC[C@H]2c2ccccc2)cc(OC)c1 ZINC000034733823 569653673 /nfs/dbraw/zinc/65/36/73/569653673.db2.gz ZGNAHFOZCBSBPQ-NAKRPHOHSA-N 1 0 488.628 5.025 50 0 JKAARO Cc1ccc(-c2ncn(C3CCCCC3)c2-c2ccc(C(=O)NCC[NH+]3CCCCCC3)o2)cc1 ZINC000065036841 569653689 /nfs/dbraw/zinc/65/36/89/569653689.db2.gz AHLNWHGITHAMFV-UHFFFAOYSA-N 1 0 474.649 6.230 50 0 JKAARO O=C(NCC[NH+]1CCCCC1)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCC2)o1 ZINC000065054923 569653720 /nfs/dbraw/zinc/65/37/20/569653720.db2.gz IKHIJIZRHDVUMN-UHFFFAOYSA-N 1 0 450.558 5.280 50 0 JKAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCCC2)o1 ZINC000065055127 569653971 /nfs/dbraw/zinc/65/39/71/569653971.db2.gz IFMSRKTYOQOYMY-FQEVSTJZSA-N 1 0 478.612 6.059 50 0 JKAARO O=C(NCC[NH+]1CCCCCC1)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCCC2)o1 ZINC000065055122 569654015 /nfs/dbraw/zinc/65/40/15/569654015.db2.gz QMLYWDYEGMTVBE-UHFFFAOYSA-N 1 0 478.612 6.060 50 0 JKAARO COc1ccc(NC(=O)[C@@H]2C[C@@H](c3ccc(F)c(C)c3)C[N@H+](Cc3ccccc3Cl)C2)c(OC)c1 ZINC000034739940 569655068 /nfs/dbraw/zinc/65/50/68/569655068.db2.gz CEQGKCIZFNTOOO-FGZHOGPDSA-N 1 0 497.010 6.049 50 0 JKAARO CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CC[C@H](c3ccccc3)[N@H+](Cc3cccc(Cl)c3)C2)C1 ZINC000034739930 569655095 /nfs/dbraw/zinc/65/50/95/569655095.db2.gz YJDWVSYNFLLGEO-VDKIKQQVSA-N 1 0 469.025 5.095 50 0 JKAARO Cc1ccccc1N1CC[NH+](CC[C@H](Oc2ccc(C(C)C)cc2)c2ccc3c(c2)OCO3)CC1 ZINC000034740048 569655125 /nfs/dbraw/zinc/65/51/25/569655125.db2.gz ZZEZENQGWOZGFH-NDEPHWFRSA-N 1 0 472.629 6.180 50 0 JKAARO CCn1cc(C[NH+]2CCC(C(=O)N[C@@H](C)CCc3ccccc3)CC2)c2cc(Cl)ccc21 ZINC000065060054 569655151 /nfs/dbraw/zinc/65/51/51/569655151.db2.gz OQDOKEFOVWPQAG-FQEVSTJZSA-N 1 0 452.042 5.664 50 0 JKAARO COc1cccc(C[N@H+]2C[C@@H](c3ccc(F)c(C)c3)C[C@H](C(=O)Nc3ccc(OC)cc3OC)C2)c1 ZINC000034740143 569655255 /nfs/dbraw/zinc/65/52/55/569655255.db2.gz NCJHHCKKVKBGOT-GOTSBHOMSA-N 1 0 492.591 5.404 50 0 JKAARO COc1cccc([C@H]2C[N@H+](Cc3ccc(Cl)cc3)C[C@@H]2CN(CC(C)C)C(=O)C(C)C)c1 ZINC000034740297 569655269 /nfs/dbraw/zinc/65/52/69/569655269.db2.gz OQZHOFIAJOWLSA-ZEQKJWHPSA-N 1 0 457.058 5.705 50 0 JKAARO Cc1ccccc1N1CC[NH+](CC[C@@H](Oc2ccc(C(C)C)c(C)c2)c2ccc(F)cc2)CC1 ZINC000034740117 569655305 /nfs/dbraw/zinc/65/53/05/569655305.db2.gz OUNZWSYRPHVWMN-SSEXGKCCSA-N 1 0 460.637 6.898 50 0 JKAARO COc1ccccc1CCNC(=O)[C@@H]1C[C@H](c2ccc(F)c(C)c2)C[N@H+](Cc2ccc(F)cc2)C1 ZINC000034740153 569655328 /nfs/dbraw/zinc/65/53/28/569655328.db2.gz BHKDRWYGXDNCDH-LOSJGSFVSA-N 1 0 478.583 5.246 50 0 JKAARO Cc1ccccc1N1CC[NH+](CC[C@H](Oc2ccc(C(C)C)c(C)c2)c2ccc(F)cc2)CC1 ZINC000034740116 569655418 /nfs/dbraw/zinc/65/54/18/569655418.db2.gz OUNZWSYRPHVWMN-PMERELPUSA-N 1 0 460.637 6.898 50 0 JKAARO COc1ccccc1[C@H](CCN1CC[NH+](Cc2ccccc2)CC1)Oc1ccc(C(C)C)c(C)c1 ZINC000034740138 569655435 /nfs/dbraw/zinc/65/54/35/569655435.db2.gz SOXPZLPOWAIHGP-HKBQPEDESA-N 1 0 472.673 6.455 50 0 JKAARO Cc1ccc(-c2nc(-c3ccc(C(=O)NCC4CC[NH+](Cc5ccccc5F)CC4)s3)no2)cc1 ZINC000065062982 569656203 /nfs/dbraw/zinc/65/62/03/569656203.db2.gz ZEWNFCWTFUWLQF-UHFFFAOYSA-N 1 0 490.604 5.555 50 0 JKAARO Cc1ccc(C[NH+]2CCC(CNC(=O)c3ccc(-c4noc(-c5ccccc5)n4)s3)CC2)cc1 ZINC000065063029 569656220 /nfs/dbraw/zinc/65/62/20/569656220.db2.gz FXBNPKXLASZGGX-UHFFFAOYSA-N 1 0 472.614 5.416 50 0 JKAARO O=C(NCC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccc(-c2noc(-c3ccccc3)n2)s1 ZINC000065063035 569656296 /nfs/dbraw/zinc/65/62/96/569656296.db2.gz FJXYQJWWPNYIBN-UHFFFAOYSA-N 1 0 493.032 5.761 50 0 JKAARO CCC[N@@H+]1CCc2c(c(CN(CC)C(=O)c3cccc(F)c3)nn2-c2cccc(Cl)c2)C1 ZINC000034762304 569657976 /nfs/dbraw/zinc/65/79/76/569657976.db2.gz AXCXKDWNTCQUCJ-UHFFFAOYSA-N 1 0 454.977 5.095 50 0 JKAARO CCC[N@@H+]1CCc2c(c(CN(CC)C(=O)c3cccc(Cl)c3)nn2-c2cccc(Cl)c2)C1 ZINC000034762296 569657986 /nfs/dbraw/zinc/65/79/86/569657986.db2.gz YXRWVCOZZRIZRQ-UHFFFAOYSA-N 1 0 471.432 5.610 50 0 JKAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cnn2c1nccc2-c1ccc(-c2ccccc2)cc1 ZINC000034786786 569659493 /nfs/dbraw/zinc/65/94/93/569659493.db2.gz PPFLUMKHFXOXGY-UHFFFAOYSA-N 1 0 487.607 5.458 50 0 JKAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cnn2c1nccc2-c1ccc(-c2ccccc2)cc1 ZINC000034786811 569659547 /nfs/dbraw/zinc/65/95/47/569659547.db2.gz ZAXJOZZKVLKFKB-OAQYLSRUSA-N 1 0 455.606 5.304 50 0 JKAARO CC[NH+]1CCN(c2c(CN(CC(C)C)C(=O)c3cccc(Cl)c3)c(C)nn2-c2ccccc2)CC1 ZINC000034829549 569663133 /nfs/dbraw/zinc/66/31/33/569663133.db2.gz HUQXCHWNBOKKBC-UHFFFAOYSA-N 1 0 494.083 5.274 50 0 JKAARO CCCC[C@H](CC)C(=O)N1CCN(C(=O)CC[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2)C[C@@H]1C ZINC000034830107 569663634 /nfs/dbraw/zinc/66/36/34/569663634.db2.gz UCTSYTFDLKIFMS-LXWOLXCRSA-N 1 0 495.733 5.361 50 0 JKAARO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1[C@@H](C)C(=O)N1CCCN(C(=O)C2CCCCC2)CC1 ZINC000034830390 569663889 /nfs/dbraw/zinc/66/38/89/569663889.db2.gz AYQFJXQPCMBHOI-WXVAWEFUSA-N 1 0 493.717 5.034 50 0 JKAARO CC[NH+]1CCN(c2c(CN(C(=O)Nc3ccc(C)cc3)C(C)C)c(C)nn2-c2cccc(F)c2)CC1 ZINC000034831368 569664155 /nfs/dbraw/zinc/66/41/55/569664155.db2.gz DAKGLPONGBCQMY-UHFFFAOYSA-N 1 0 492.643 5.213 50 0 JKAARO COc1ccccc1-c1cc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)nc2cc(C(C)(C)C)nn21 ZINC000034832562 569664385 /nfs/dbraw/zinc/66/43/85/569664385.db2.gz OBMXPUNWNYCEBV-UHFFFAOYSA-N 1 0 497.643 5.097 50 0 JKAARO COc1ccccc1-c1cc(C(=O)NCCC[N@@H+]2CCCC[C@H]2C)n2nc(-c3ccccc3)cc2n1 ZINC000034834111 569664623 /nfs/dbraw/zinc/66/46/23/569664623.db2.gz MBNMFDJEOJBCBW-OAQYLSRUSA-N 1 0 483.616 5.066 50 0 JKAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(-c2ccccc2Cl)nc2cc(-c3ccccc3)nn21 ZINC000034833798 569664717 /nfs/dbraw/zinc/66/47/17/569664717.db2.gz QCVVXKKOPBICPC-FQEVSTJZSA-N 1 0 488.035 5.711 50 0 JKAARO CCCC[C@@H](CC)C(=O)N(Cc1c(C)nn(-c2ccccc2)c1N1CC[NH+](CC)CC1)[C@@H](C)CC ZINC000034834977 569664907 /nfs/dbraw/zinc/66/49/07/569664907.db2.gz VAWFEDZYVYCKOB-UKILVPOCSA-N 1 0 481.729 5.666 50 0 JKAARO CCCC[C@H](CC)C(=O)N(Cc1c(C)nn(-c2ccccc2)c1N1CC[NH+](CC)CC1)[C@H](C)CC ZINC000034834985 569664954 /nfs/dbraw/zinc/66/49/54/569664954.db2.gz VAWFEDZYVYCKOB-NOZRDPDXSA-N 1 0 481.729 5.666 50 0 JKAARO CCCN(Cc1c(CC)nn(-c2ccc(F)cc2)c1N1CC[NH+](C(C)C)CC1)C(=O)C1CCCCC1 ZINC000034835403 569664962 /nfs/dbraw/zinc/66/49/62/569664962.db2.gz FDFFVLUXPMWETE-UHFFFAOYSA-N 1 0 497.703 5.423 50 0 JKAARO CCc1nn(-c2ccc(F)cc2)c(N2CC[NH+](C(C)C)CC2)c1CN(CC(C)C)C(=O)C1CCCC1 ZINC000034835340 569664993 /nfs/dbraw/zinc/66/49/93/569664993.db2.gz NHCGXOBMHVJRIV-UHFFFAOYSA-N 1 0 497.703 5.279 50 0 JKAARO Cc1nn(-c2cccc(F)c2)c(N2CC[NH+](C(C)C)CC2)c1CN(C(=O)C1CCCCC1)C(C)C ZINC000034835691 569665058 /nfs/dbraw/zinc/66/50/58/569665058.db2.gz YIPNBVNEUMFQBT-UHFFFAOYSA-N 1 0 483.676 5.168 50 0 JKAARO Cc1nn(-c2cccc(F)c2)c(N2CC[NH+](C(C)C)CC2)c1CN(C(=O)CCC1CCCC1)C(C)C ZINC000034835695 569665153 /nfs/dbraw/zinc/66/51/53/569665153.db2.gz CTJHSBRNPYXMMA-UHFFFAOYSA-N 1 0 497.703 5.558 50 0 JKAARO CC[NH+]1CCN(c2c(CN(Cc3ccccc3F)CC(C)C)c(C)nn2-c2cccc(F)c2)CC1 ZINC000034835961 569665217 /nfs/dbraw/zinc/66/52/17/569665217.db2.gz HPEMLFFBQYEOPZ-UHFFFAOYSA-N 1 0 481.635 5.259 50 0 JKAARO CCc1nn(-c2ccc(F)cc2)c(N2CCN(C)CC2)c1C[N@H+](Cc1ccc(F)cc1)[C@@H](C)CC ZINC000034836338 569665307 /nfs/dbraw/zinc/66/53/07/569665307.db2.gz AWUFPGKGILXRCV-NRFANRHFSA-N 1 0 481.635 5.265 50 0 JKAARO CCc1nn(-c2cccc(C)c2)c(N2CCN(C)CC2)c1C[N@H+](CC)C[C@@H](C)c1ccccc1 ZINC000034836746 569665911 /nfs/dbraw/zinc/66/59/11/569665911.db2.gz MDTYBSAAIQUVHH-XMMPIXPASA-N 1 0 459.682 5.121 50 0 JKAARO CCc1nn(-c2cccc(C)c2)c(N2CCN(C)CC2)c1C[N@@H+](CC)Cc1ccc(C)cc1C ZINC000034836769 569665992 /nfs/dbraw/zinc/66/59/92/569665992.db2.gz NDTTWXBMILJJQU-UHFFFAOYSA-N 1 0 459.682 5.134 50 0 JKAARO CCc1nn(-c2ccccc2)c(N2CC[NH+](CC)CC2)c1CN(Cc1cccc(Cl)c1)C1CC1 ZINC000034836968 569666257 /nfs/dbraw/zinc/66/62/57/569666257.db2.gz NKBKMJFLRPRSGI-UHFFFAOYSA-N 1 0 478.084 5.395 50 0 JKAARO O=C(Nc1ccc(Cl)cc1C(F)(F)F)[C@@H]([NH2+]CCc1c[nH]c2ccccc12)c1ccccc1 ZINC000034872861 569668597 /nfs/dbraw/zinc/66/85/97/569668597.db2.gz FFGMFKKSOWJYQW-QHCPKHFHSA-N 1 0 471.910 6.352 50 0 JKAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCN(c2nc3ccccc3n2C2CCCC2)C1 ZINC000034906688 569671024 /nfs/dbraw/zinc/67/10/24/569671024.db2.gz SLAXYAVEHNISGT-XMMPIXPASA-N 1 0 485.676 5.149 50 0 JKAARO CCCCCc1ccc(C(=O)N2CCC([NH+]3CCC(C(=O)Nc4ccc(C)cc4)CC3)CC2)cc1 ZINC000034912130 569671576 /nfs/dbraw/zinc/67/15/76/569671576.db2.gz LEZQRNXJSVQRHD-UHFFFAOYSA-N 1 0 475.677 5.683 50 0 JKAARO CCCCCc1ccc(C(=O)N2CCC([NH+]3CCC(C(=O)N(C)Cc4ccccc4)CC3)CC2)cc1 ZINC000034912452 569671739 /nfs/dbraw/zinc/67/17/39/569671739.db2.gz ANOKIJDYXUMNTP-UHFFFAOYSA-N 1 0 489.704 5.395 50 0 JKAARO COc1cccc(Nc2nc(-c3ccccc3)ncc2C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000034922013 569672747 /nfs/dbraw/zinc/67/27/47/569672747.db2.gz TZTSALDEXDBAAH-UHFFFAOYSA-N 1 0 493.611 5.290 50 0 JKAARO CCCCN1C(=O)c2ccccc2[C@H](C(=O)NCC[NH+]2CCCCC2)[C@@H]1c1cccc(Cl)c1 ZINC000034927647 569673211 /nfs/dbraw/zinc/67/32/11/569673211.db2.gz RPQDQYUWIBSGQJ-DQEYMECFSA-N 1 0 468.041 5.023 50 0 JKAARO C[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)Cn1c(-c2ccccc2)c(-c2ccccc2)c2ccc3ccccc3c21 ZINC000035075092 569674384 /nfs/dbraw/zinc/67/43/84/569674384.db2.gz ABGJQFSDZULDCZ-YIHZDXAJSA-N 1 0 488.675 7.658 50 0 JKAARO COc1ccc2cc3cc(C(=O)NCCC[NH+]4CCN(c5ccccc5)CC4)sc3nc2c1Cl ZINC000065330822 569674893 /nfs/dbraw/zinc/67/48/93/569674893.db2.gz ISQQXIPFMQKXML-UHFFFAOYSA-N 1 0 495.048 5.054 50 0 JKAARO COc1ccc2cc3cc(C(=O)NCC4CC[NH+](Cc5ccccc5C)CC4)sc3nc2c1Cl ZINC000065330826 569674952 /nfs/dbraw/zinc/67/49/52/569674952.db2.gz LGYHGNUIEPLSHD-UHFFFAOYSA-N 1 0 494.060 6.062 50 0 JKAARO CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccc(C)c(C)c1)C(c1ccc(Cl)cc1)=N2 ZINC000035372595 569683063 /nfs/dbraw/zinc/68/30/63/569683063.db2.gz YRZGXGSPLYMEKU-UHFFFAOYSA-N 1 0 469.054 5.342 50 0 JKAARO CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccc(C)cc1)C(c1ccc(Cl)cc1)=N2 ZINC000035372554 569683099 /nfs/dbraw/zinc/68/30/99/569683099.db2.gz ZNIQLHXBFITYRB-UHFFFAOYSA-N 1 0 455.027 5.034 50 0 JKAARO CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1cccc(C)c1)C(c1ccc(Cl)cc1)=N2 ZINC000035372527 569683115 /nfs/dbraw/zinc/68/31/15/569683115.db2.gz CICWIUHDKGEXED-UHFFFAOYSA-N 1 0 455.027 5.034 50 0 JKAARO CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1cc(Cl)ccc1OC)C(c1ccc(C)cc1)=N2 ZINC000035372854 569683209 /nfs/dbraw/zinc/68/32/09/569683209.db2.gz COFFKASBNRBYDX-UHFFFAOYSA-N 1 0 485.053 5.042 50 0 JKAARO CCOc1ccc(NC(=O)CSC2=NC3(CC[NH+](CC)CC3)N=C2c2ccc(Cl)cc2)cc1 ZINC000035372983 569683438 /nfs/dbraw/zinc/68/34/38/569683438.db2.gz BNFBMUSNRVWVCB-UHFFFAOYSA-N 1 0 485.053 5.124 50 0 JKAARO C[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccccc1Cl)C(c1ccc(C(C)(C)C)cc1)=N2 ZINC000035397146 569687693 /nfs/dbraw/zinc/68/76/93/569687693.db2.gz ZONUKBVRIIFWIS-UHFFFAOYSA-N 1 0 483.081 5.633 50 0 JKAARO CCc1ccc(NC(=O)CSC2=NC3(CC[NH+](C)CC3)N=C2c2ccc(Br)cc2)cc1 ZINC000035397187 569687735 /nfs/dbraw/zinc/68/77/35/569687735.db2.gz LDBQMQUERQCBLZ-UHFFFAOYSA-N 1 0 499.478 5.007 50 0 JKAARO C[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccc(F)cc1)C(c1ccc(C(C)(C)C)cc1)=N2 ZINC000035397147 569687788 /nfs/dbraw/zinc/68/77/88/569687788.db2.gz OMTUYXOHXDGMKP-UHFFFAOYSA-N 1 0 466.626 5.118 50 0 JKAARO C[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccc(F)cc1F)C(c1ccc(C(C)(C)C)cc1)=N2 ZINC000035397150 569687821 /nfs/dbraw/zinc/68/78/21/569687821.db2.gz JCARBRXVBASOBI-UHFFFAOYSA-N 1 0 484.616 5.257 50 0 JKAARO C[NH+](C)CCCN(C(=O)c1cccc(NC(=O)C2CC2)c1)C(c1ccccc1)c1ccccc1 ZINC000069381079 569692833 /nfs/dbraw/zinc/69/28/33/569692833.db2.gz MNGRFBDNBKDKIZ-UHFFFAOYSA-N 1 0 455.602 5.219 50 0 JKAARO O=C(c1ccc(Oc2cccc(Br)c2)nc1)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000069930476 569693910 /nfs/dbraw/zinc/69/39/10/569693910.db2.gz IGUJMHNNSHLIDF-UHFFFAOYSA-N 1 0 472.408 5.046 50 0 JKAARO CC[N@@H+]1CCc2c(sc3c2CN(C(=O)Nc2cccc(OC)c2)[C@H](c2ccccc2)c2cccn2-3)C1 ZINC000035427418 569694191 /nfs/dbraw/zinc/69/41/91/569694191.db2.gz JIUOMOMESROARX-HHHXNRCGSA-N 1 0 498.652 6.063 50 0 JKAARO CC[N@@H+]1CCc2c(sc3c2CN(C(=O)Nc2ccccc2OC)[C@H](c2ccccc2)c2cccn2-3)C1 ZINC000035427414 569694276 /nfs/dbraw/zinc/69/42/76/569694276.db2.gz BSOVZONVJZNFBN-HHHXNRCGSA-N 1 0 498.652 6.063 50 0 JKAARO CC[N@@H+]1CCc2c(sc3c2CN(C(=O)Nc2cccc(C)c2)[C@H](c2ccc(C)cc2)c2cccn2-3)C1 ZINC000035427398 569694292 /nfs/dbraw/zinc/69/42/92/569694292.db2.gz QJCQCXGASSQRSW-MUUNZHRXSA-N 1 0 496.680 6.671 50 0 JKAARO CC[N@@H+]1CCc2c(sc3c2CN(C(=O)Nc2ccc(C)cc2)[C@@H](c2ccc(C)cc2)c2cccn2-3)C1 ZINC000035427392 569694307 /nfs/dbraw/zinc/69/43/07/569694307.db2.gz LLQUPOOJPNKLLE-NDEPHWFRSA-N 1 0 496.680 6.671 50 0 JKAARO CC[N@@H+]1CCc2c(sc3c2CN(C(=O)Nc2cccc(C)c2C)[C@@H](c2ccccc2)c2cccn2-3)C1 ZINC000035427421 569694334 /nfs/dbraw/zinc/69/43/34/569694334.db2.gz HAMQDEZHBQLNCJ-NDEPHWFRSA-N 1 0 496.680 6.671 50 0 JKAARO CC[N@@H+]1CCc2c(sc3c2CN(C(=O)Nc2ccccc2C)[C@H](c2ccccc2)c2cccn2-3)C1 ZINC000035427435 569694427 /nfs/dbraw/zinc/69/44/27/569694427.db2.gz HNLAVUQRQDAMNE-HHHXNRCGSA-N 1 0 482.653 6.362 50 0 JKAARO CC[N@@H+]1CCc2c(sc3c2CN(C(=O)Nc2cc(C)ccc2C)[C@H](c2ccccc2)c2cccn2-3)C1 ZINC000035427427 569694442 /nfs/dbraw/zinc/69/44/42/569694442.db2.gz VERIJJMLOKIZQF-MUUNZHRXSA-N 1 0 496.680 6.671 50 0 JKAARO CCc1ccc(Nc2nc(C(=O)NCCC[N@@H+]3CCc4ccccc4C3)nc3ccccc32)cc1 ZINC000035430082 569694952 /nfs/dbraw/zinc/69/49/52/569694952.db2.gz IBLROJQUABLWPJ-UHFFFAOYSA-N 1 0 465.601 5.114 50 0 JKAARO CC[NH+](CC)CC[C@]1(c2ccccc2)c2ccccc2N(N(C)Cc2ccccc2Cl)C1=O ZINC000071767319 569697303 /nfs/dbraw/zinc/69/73/03/569697303.db2.gz QXTFHLVMILNEKY-NDEPHWFRSA-N 1 0 462.037 5.752 50 0 JKAARO O=C(Nc1ccccc1F)C1CC[NH+](Cc2cc3ccccc3n2Cc2cccc(F)c2)CC1 ZINC000035511072 569698282 /nfs/dbraw/zinc/69/82/82/569698282.db2.gz XYTWWIRZTBGXQL-UHFFFAOYSA-N 1 0 459.540 5.819 50 0 JKAARO COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/C[NH+]1CCCCC1 ZINC000072266312 569701234 /nfs/dbraw/zinc/70/12/34/569701234.db2.gz LVXJQMNHJWSHET-AATRIKPKSA-N 1 0 469.948 5.155 50 0 investigational JKAARO Cc1ccc(-c2nnc(-c3nc4ccccc4c(NCCC[N@@H+]4CCc5ccccc5C4)n3)o2)cc1 ZINC000035560921 569704318 /nfs/dbraw/zinc/70/43/18/569704318.db2.gz QRRCAWKAJCBFFC-UHFFFAOYSA-N 1 0 476.584 5.516 50 0 JKAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)C[C@@H](c1cn(C)c2ccccc12)c1cccc(C(F)(F)F)c1 ZINC000035579591 569704882 /nfs/dbraw/zinc/70/48/82/569704882.db2.gz JAVLINVUXOLEED-HYBUGGRVSA-N 1 0 487.610 6.346 50 0 JKAARO C[NH+](C)CCN(C(=O)c1cc(-c2ccccc2)on1)c1nc2c(cccc2C(F)(F)F)s1 ZINC000077108012 569704968 /nfs/dbraw/zinc/70/49/68/569704968.db2.gz BCVXJWHPZHHSOO-UHFFFAOYSA-N 1 0 460.481 5.179 50 0 JKAARO CN1N=C2/C(=C/c3ccc(C(F)(F)F)cc3)C[N@@H+](C)C[C@H]2[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000035601002 569705372 /nfs/dbraw/zinc/70/53/72/569705372.db2.gz KHYACKNGUMLYGX-RMKCNFRFSA-N 1 0 453.430 5.712 50 0 JKAARO CCOc1ccc(NC(=O)N(Cc2cccc(C)n2)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000035686856 569706908 /nfs/dbraw/zinc/70/69/08/569706908.db2.gz FDQNWMXYEMEBSS-UHFFFAOYSA-N 1 0 458.606 5.487 50 0 JKAARO Cc1oc2c(cc3c(C)c(CCC(=O)NC[C@@H]4CCC[N@@H+]5CCCC[C@H]45)c(=O)oc3c2C)c1C ZINC000079189386 569707035 /nfs/dbraw/zinc/70/70/35/569707035.db2.gz CRQJLYHMKYQRQL-GBXCKJPGSA-N 1 0 464.606 5.086 50 0 biogenic JKAARO Cc1ncc(CCC[NH+](C)C)cc1Nc1ncc2c(n1)-c1ccc(C(F)(F)F)cc1NC(=S)C2 ZINC000082157362 569708145 /nfs/dbraw/zinc/70/81/45/569708145.db2.gz CODBZFJPKJDNDT-UHFFFAOYSA-N 1 0 486.567 5.399 50 0 in-vivo JKAARO O=C(C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)N[C@@H]1CC[N@@H+](C2CCCCCC2)C1 ZINC000084522273 569709301 /nfs/dbraw/zinc/70/93/01/569709301.db2.gz LPWICKFBHBOLNF-BWKNWUBXSA-N 1 0 468.041 5.115 50 0 JKAARO c1[nH]c2ccccc2c1C1(c2c[nH]c3ccccc32)CC[NH+](C[C@@H]2CCN(c3ccccc3)C2)CC1 ZINC000085392878 569709901 /nfs/dbraw/zinc/70/99/01/569709901.db2.gz DZQPBZQDFPYWLV-DEOSSOPVSA-N 1 0 474.652 6.558 50 0 JKAARO O=C1C[C@@H](C[NH+]2CCC(c3c[nH]c4ccccc43)(c3c[nH]c4ccccc43)CC2)CN1c1ccccc1 ZINC000085392826 569709923 /nfs/dbraw/zinc/70/99/23/569709923.db2.gz GQGHPTVETBJLKP-QHCPKHFHSA-N 1 0 488.635 6.084 50 0 JKAARO CNC(=O)c1cc(Nc2ccc3[nH]c(Nc4ccc(Cl)c(C(F)(F)F)c4)[nH+]c3c2)ccn1 ZINC000085393837 569710017 /nfs/dbraw/zinc/71/00/17/569710017.db2.gz HHMKGONIZGSDAI-UHFFFAOYSA-N 1 0 460.847 5.477 50 0 JKAARO Cc1cccn2c(=O)c(CC[N@@H+]3CCCc4c(c5ccccc5n4Cc4ccccc4)C3)c(C)nc12 ZINC000085393531 569710089 /nfs/dbraw/zinc/71/00/89/569710089.db2.gz NZGCYKNKWJXHLG-UHFFFAOYSA-N 1 0 476.624 5.305 50 0 JKAARO O=C(CCc1c(-c2ccccc2)nc2ccc(-c3ccccc3Cl)cn21)NCC[NH+]1CCCC1 ZINC000085409099 569710394 /nfs/dbraw/zinc/71/03/94/569710394.db2.gz WRYHZTYUIZACPV-UHFFFAOYSA-N 1 0 473.020 5.466 50 0 JKAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(Nc2ccnc(-c3ccccc3)n2)cc1 ZINC000085649855 569712391 /nfs/dbraw/zinc/71/23/91/569712391.db2.gz QLEKIOBLFBPBQA-UHFFFAOYSA-N 1 0 463.585 5.282 50 0 JKAARO Cc1cc(Nc2nc(C(=O)NCCC[NH+]3CCCCC3)cc3occc32)ccc1Br ZINC000085651275 569713028 /nfs/dbraw/zinc/71/30/28/569713028.db2.gz XDXGXPHBAJYKJG-UHFFFAOYSA-N 1 0 471.399 5.248 50 0 JKAARO Cc1cc(Nc2nc(C(=O)NCC[C@@H](C)[NH+]3CCCCCC3)cc3occc32)ccc1Br ZINC000085651305 569713160 /nfs/dbraw/zinc/71/31/60/569713160.db2.gz ZAHQVVODCGQLGH-GOSISDBHSA-N 1 0 499.453 6.027 50 0 JKAARO Cc1ccccc1Cn1cccc1C[N@H+](C[C@H](O)COCc1ccccc1)CC1CCCCC1 ZINC000035840787 569713817 /nfs/dbraw/zinc/71/38/17/569713817.db2.gz UZFZJFHVDKDASN-PMERELPUSA-N 1 0 460.662 5.805 50 0 JKAARO COC(=O)c1ccccc1C[N@H+](Cc1cccn1Cc1cccc(C(F)(F)F)c1)C1CCCCC1 ZINC000035841164 569713986 /nfs/dbraw/zinc/71/39/86/569713986.db2.gz WAZDHKGXQDLCGR-UHFFFAOYSA-N 1 0 484.562 6.677 50 0 JKAARO CC(C)[C@@H](O)C[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C(C)C ZINC000035842644 569714183 /nfs/dbraw/zinc/71/41/83/569714183.db2.gz OQBKLQBOZCMYMW-LJAQVGFWSA-N 1 0 491.720 5.764 50 0 JKAARO CCCC[N@H+](CC(=O)N1CCS[C@H]1c1ccc(F)cc1)Cc1ccc(Br)cc1 ZINC000035843602 569714540 /nfs/dbraw/zinc/71/45/40/569714540.db2.gz DPCSDFSBNKVZOM-QFIPXVFZSA-N 1 0 465.432 5.465 50 0 JKAARO Cc1ccc(CN(CCc2ccccc2)C(=O)C[N@H+](Cc2cccc(Cl)c2)CC(C)C)o1 ZINC000035844759 569715375 /nfs/dbraw/zinc/71/53/75/569715375.db2.gz OYXYNSDCSUZHHG-UHFFFAOYSA-N 1 0 453.026 5.971 50 0 JKAARO COC(=O)c1cccc(C[N@@H+](CC(=O)N(CCc2ccccc2)Cc2ccc(C)o2)CC(C)C)c1 ZINC000035844763 569715429 /nfs/dbraw/zinc/71/54/29/569715429.db2.gz MBVJGUOWXHDTPE-UHFFFAOYSA-N 1 0 476.617 5.104 50 0 JKAARO CC(C)(C)[C@H](c1cccc2ccccc21)[N+]1=CN([C@H](c2cccc3ccccc32)C(C)(C)C)CC1 ZINC000086012702 569716789 /nfs/dbraw/zinc/71/67/89/569716789.db2.gz JJLICLMPJAVROV-QRRGNZNSSA-N 1 0 463.689 8.224 50 0 JKAARO CCc1cccc2c([C@H](CC(=O)N[C@H](C)CCC[NH+](CC)CC)c3ccc(Cl)cc3)c[nH]c21 ZINC000035888717 569721315 /nfs/dbraw/zinc/72/13/15/569721315.db2.gz PQWSANHAXWLOAR-CJFMBICVSA-N 1 0 468.085 6.532 50 0 JKAARO CCOc1ccc(-c2c(C)sc3ncnc(NC4CC[NH+](Cc5ccccc5)CC4)c32)cc1 ZINC000094993311 569721483 /nfs/dbraw/zinc/72/14/83/569721483.db2.gz VZEKHUOXVYZWRE-UHFFFAOYSA-N 1 0 458.631 6.142 50 0 JKAARO CCc1cccc2c([C@H](CC(=O)NC3CC[NH+](Cc4ccccc4)CC3)c3cccc(OC)c3)c[nH]c21 ZINC000035889320 569721527 /nfs/dbraw/zinc/72/15/27/569721527.db2.gz IKSPZIGPZLLOLT-GDLZYMKVSA-N 1 0 495.667 6.042 50 0 JKAARO CCCCc1nc2sc3c(c2c(N2CC[NH+](CCOc4ccccc4)CC2)n1)CCCC3 ZINC000035892766 569722556 /nfs/dbraw/zinc/72/25/56/569722556.db2.gz LYDVOHRZGBSUCB-UHFFFAOYSA-N 1 0 450.652 5.114 50 0 JKAARO CC[C@H](C)c1nc2sc3c(c2c(N2CC[NH+](CCOc4ccccc4)CC2)n1)CCCCC3 ZINC000035892987 569722676 /nfs/dbraw/zinc/72/26/76/569722676.db2.gz JYYPXLRECUYOED-FQEVSTJZSA-N 1 0 464.679 5.675 50 0 JKAARO CCc1cccc2c([C@@H](CC(=O)N(CC[NH+](C)C)Cc3ccccc3)c3ccccc3OC)c[nH]c21 ZINC000035908357 569723948 /nfs/dbraw/zinc/72/39/48/569723948.db2.gz PIDPFFZWNFWPQM-MHZLTWQESA-N 1 0 483.656 5.851 50 0 JKAARO Cc1nn(-c2ccccc2)c2nc(CC(C)C)nc(N3CCC[N@H+](Cc4cccc(C)c4)CC3)c12 ZINC000035924675 569728178 /nfs/dbraw/zinc/72/81/78/569728178.db2.gz GOUJSJJJHVMHPJ-UHFFFAOYSA-N 1 0 468.649 5.343 50 0 JKAARO COc1ccc(C[N@@H+]2CCCN(c3nc(CC(C)C)nc4c3c(C)nn4-c3ccccc3)CC2)cc1 ZINC000035924667 569728185 /nfs/dbraw/zinc/72/81/85/569728185.db2.gz PVRWDIPLJHDGOA-UHFFFAOYSA-N 1 0 484.648 5.043 50 0 JKAARO Fc1ccc(C[N@@H+]2CCCN(c3nc(Cc4ccccc4)nc4c3cnn4-c3ccccc3)CC2)cc1 ZINC000035925671 569728914 /nfs/dbraw/zinc/72/89/14/569728914.db2.gz AGXCPQOLUYQFRI-UHFFFAOYSA-N 1 0 492.602 5.258 50 0 JKAARO CC(C)Cc1nc2c(cnn2-c2ccccc2)c(N2CCC[N@H+](Cc3ccccc3Cl)CC2)n1 ZINC000035925695 569728995 /nfs/dbraw/zinc/72/89/95/569728995.db2.gz OAUPNEFSDJQZOP-UHFFFAOYSA-N 1 0 475.040 5.380 50 0 JKAARO Cc1cccc(C[N@H+]2CCCN(c3nc(CC(C)C)nc4c3cnn4-c3ccccc3)CC2)c1 ZINC000035925702 569729095 /nfs/dbraw/zinc/72/90/95/569729095.db2.gz BLYGTVYLXDLLME-UHFFFAOYSA-N 1 0 454.622 5.035 50 0 JKAARO CCC[N@@H+]1CCc2c(c(CN(C(=O)c3ccccc3OC)C(C)C)nn2-c2ccc(C)cc2)C1 ZINC000035926214 569729498 /nfs/dbraw/zinc/72/94/98/569729498.db2.gz IWOIWZBOBZCQHX-UHFFFAOYSA-N 1 0 460.622 5.008 50 0 JKAARO COc1ccc(/C(=C(/c2ccccc2)[N+](=O)[O-])c2ccc(OCCCCC[NH+]3CCCC3)cc2)cc1 ZINC000095918088 569729648 /nfs/dbraw/zinc/72/96/48/569729648.db2.gz SBAIVPNVVSAUCN-QVIHXGFCSA-N 1 0 486.612 6.533 50 0 JKAARO Cc1ccc([S@](=O)C2=CC[N@H+](CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000095918218 569729695 /nfs/dbraw/zinc/72/96/95/569729695.db2.gz MVARKEYZQHJVJJ-MGBGTMOVSA-N 1 0 465.609 6.583 50 0 JKAARO Cc1ccc(Cc2nc3c(cnn3-c3ccccc3)c(N3CCC[N@@H+](CCC(C)C)CC3)n2)cc1 ZINC000035927820 569730623 /nfs/dbraw/zinc/73/06/23/569730623.db2.gz PDNQLMIMDZOIHE-UHFFFAOYSA-N 1 0 468.649 5.273 50 0 JKAARO CC(C)(C)c1cc(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc(C(C)(C)C)c1O ZINC000095949535 569731321 /nfs/dbraw/zinc/73/13/21/569731321.db2.gz ZTPSJSRBQJQIGS-UHFFFAOYSA-N 1 0 470.701 6.894 50 0 JKAARO CCC[NH+](CCC)CC[C@@]1(c2ccccc2)c2ccccc2N(N(C)Cc2ccccc2Cl)C1=O ZINC000096027587 569731950 /nfs/dbraw/zinc/73/19/50/569731950.db2.gz VGCMWUIENABRIP-SSEXGKCCSA-N 1 0 490.091 6.532 50 0 JKAARO CC[C@@H](C(=O)c1ccccc1)[C@@H](c1ccc(OC)cc1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000096027403 569732008 /nfs/dbraw/zinc/73/20/08/569732008.db2.gz CEQWENFCDRGOCF-WDYNHAJCSA-N 1 0 457.614 6.211 50 0 JKAARO CC[C@H](C(=O)c1ccccc1)[C@H](c1ccc(OC)cc1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000096027404 569732010 /nfs/dbraw/zinc/73/20/10/569732010.db2.gz CEQWENFCDRGOCF-URLMMPGGSA-N 1 0 457.614 6.211 50 0 JKAARO CC[C@@H](C(=O)c1ccccc1)[C@H](c1ccc(OC)cc1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000096027405 569732029 /nfs/dbraw/zinc/73/20/29/569732029.db2.gz CEQWENFCDRGOCF-FQLXRVMXSA-N 1 0 457.614 6.211 50 0 JKAARO Cc1ncc(C[N@@H+]2CCCC[C@H]2CCO)c2cc(-c3cc(=O)oc4cc5c(cc43)CCC5)oc21 ZINC000096116478 569735412 /nfs/dbraw/zinc/73/54/12/569735412.db2.gz NLKDRXVWMDUWSV-NRFANRHFSA-N 1 0 458.558 5.135 50 0 biogenic JKAARO Clc1ccc2c(c1)C[C@H](S[C@@H](C[NH2+]C1CCCCC1)c1ccccc1)c1ccccc1S2 ZINC000096568863 569741384 /nfs/dbraw/zinc/74/13/84/569741384.db2.gz PWORCPYBYQLGLF-NSOVKSMOSA-N 1 0 480.142 8.485 50 0 JKAARO Clc1ccc2nc(C3CCC3)nc(N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c2c1 ZINC000096592659 569742128 /nfs/dbraw/zinc/74/21/28/569742128.db2.gz VGMYWOCPTBOLMV-UHFFFAOYSA-N 1 0 469.032 6.462 50 0 JKAARO C[N@H+]1CC2=C(N=C3SC=C(c4ccccc4)N3[C@@H]2c2ccc(F)cc2)/C(=C/c2ccc(F)cc2)C1 ZINC000036007042 569747622 /nfs/dbraw/zinc/74/76/22/569747622.db2.gz AYZKSPCVUKVWQK-COHPBREESA-N 1 0 483.587 6.706 50 0 JKAARO CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@H](c2ccccc2)[C@H]([NH3+])c2ccccc2)c(C(C)C)c1 ZINC000098074325 569750245 /nfs/dbraw/zinc/75/02/45/569750245.db2.gz FWSBAKFIRHTBCY-VSGBNLITSA-N 1 0 478.702 6.776 50 0 JKAARO CCN(CC)c1onc(-c2ccccc2)c1C[N@H+](C[C@H](O)COc1ccccc1C)CC1CC1 ZINC000036246102 569757736 /nfs/dbraw/zinc/75/77/36/569757736.db2.gz BUIXUPZZZDXANQ-DEOSSOPVSA-N 1 0 463.622 5.148 50 0 JKAARO CC(C)[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@@H](O)COC(C)(C)C ZINC000036301581 569759031 /nfs/dbraw/zinc/75/90/31/569759031.db2.gz LBZUGVWVYUJHLU-JOCHJYFZSA-N 1 0 451.611 5.266 50 0 JKAARO Cc1nn(-c2cccc(Cl)c2)c(Oc2ccccc2)c1C[N@H+](C[C@@H](O)COCC(C)C)CC1CC1 ZINC000036301820 569759271 /nfs/dbraw/zinc/75/92/71/569759271.db2.gz VFQZWBIESLGXNX-RUZDIDTESA-N 1 0 498.067 5.872 50 0 JKAARO COc1ccc(Oc2c(C[N@H+](C[C@H](O)C(C)C)CC3CC3)c(C)nn2-c2cccc(Cl)c2)cc1 ZINC000036301691 569759281 /nfs/dbraw/zinc/75/92/81/569759281.db2.gz LQFJXSIAKGHABC-SANMLTNESA-N 1 0 484.040 5.864 50 0 JKAARO Cc1ccccc1OC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)noc1N1CCCCC1)CC1CC1 ZINC000036313047 569760603 /nfs/dbraw/zinc/76/06/03/569760603.db2.gz AEBKMWIKAWLQKO-VWLOTQADSA-N 1 0 475.633 5.292 50 0 JKAARO CCCC[C@H](O)C[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C1CC1 ZINC000036313657 569760863 /nfs/dbraw/zinc/76/08/63/569760863.db2.gz SYIJGPACDQZDTI-QHCPKHFHSA-N 1 0 463.622 5.751 50 0 JKAARO CCCCOC[C@@H](O)C[N@H+](CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1 ZINC000036313755 569760981 /nfs/dbraw/zinc/76/09/81/569760981.db2.gz XXNDZWHHZFNQOV-DEOSSOPVSA-N 1 0 481.637 5.371 50 0 JKAARO CCCC[C@H](O)C[N@H+](CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1 ZINC000036313728 569761001 /nfs/dbraw/zinc/76/10/01/569761001.db2.gz DJQUDVOTTASVEL-QHCPKHFHSA-N 1 0 451.611 5.745 50 0 JKAARO CCCCOC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1)C(C)C ZINC000036313771 569761042 /nfs/dbraw/zinc/76/10/42/569761042.db2.gz PPKTXAQTPRKPAG-HSZRJFAPSA-N 1 0 481.637 5.276 50 0 JKAARO CCCC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)[C@@H](C)CC ZINC000036313784 569761080 /nfs/dbraw/zinc/76/10/80/569761080.db2.gz IWODRLCSHBUFCO-JTHBVZDNSA-N 1 0 465.638 6.040 50 0 JKAARO CCCC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccccc1)CC1CC1 ZINC000036313855 569761340 /nfs/dbraw/zinc/76/13/40/569761340.db2.gz NZHQRUVDTQOTPL-DEOSSOPVSA-N 1 0 468.041 6.390 50 0 JKAARO CCCC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccccc1)CC1CC1 ZINC000036313856 569761407 /nfs/dbraw/zinc/76/14/07/569761407.db2.gz NZHQRUVDTQOTPL-XMMPIXPASA-N 1 0 468.041 6.390 50 0 JKAARO CCCCOC[C@H](O)C[N@H+](CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F ZINC000036313897 569761441 /nfs/dbraw/zinc/76/14/41/569761441.db2.gz ZQQNHSKXBZAYCK-HSZRJFAPSA-N 1 0 487.591 5.641 50 0 JKAARO CCCCOC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C(C)C ZINC000036313908 569761453 /nfs/dbraw/zinc/76/14/53/569761453.db2.gz DXSULZNXWARMBN-DEOSSOPVSA-N 1 0 481.637 5.370 50 0 JKAARO CCCCOC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C(C)C ZINC000036313983 569761529 /nfs/dbraw/zinc/76/15/29/569761529.db2.gz HSQKCDFHFOQSGV-HSZRJFAPSA-N 1 0 469.601 5.407 50 0 JKAARO CCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1F)C[C@@H](O)COC(C)(C)C ZINC000036316153 569762010 /nfs/dbraw/zinc/76/20/10/569762010.db2.gz MJVBFRFUMKXDKH-OAQYLSRUSA-N 1 0 487.591 5.546 50 0 JKAARO CCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1F)C[C@@H](O)COC(C)C ZINC000036316143 569762051 /nfs/dbraw/zinc/76/20/51/569762051.db2.gz OPEUVIURUDOUIA-OAQYLSRUSA-N 1 0 473.564 5.156 50 0 JKAARO CC(C)COC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1F)CC1CC1 ZINC000036316162 569762111 /nfs/dbraw/zinc/76/21/11/569762111.db2.gz YRLDUIXUIGNLAG-HSZRJFAPSA-N 1 0 499.602 5.403 50 0 JKAARO CCOC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)Cc1ccccc1 ZINC000036316210 569762348 /nfs/dbraw/zinc/76/23/48/569762348.db2.gz JUBDYZOUDLTILD-RUZDIDTESA-N 1 0 471.601 5.279 50 0 JKAARO CCOC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)Cc1ccccc1 ZINC000036316211 569762426 /nfs/dbraw/zinc/76/24/26/569762426.db2.gz JUBDYZOUDLTILD-VWLOTQADSA-N 1 0 471.601 5.279 50 0 JKAARO CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@H+](C[C@@H](O)COC(C)(C)C)C(C)C ZINC000036316269 569762507 /nfs/dbraw/zinc/76/25/07/569762507.db2.gz UUQRSKVVSVDMID-HSZRJFAPSA-N 1 0 465.638 5.613 50 0 JKAARO CCCC(=O)OC[C@H](O)C[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1)CC1CC1 ZINC000036316336 569762609 /nfs/dbraw/zinc/76/26/09/569762609.db2.gz GNYNLVILHQMYDO-XMMPIXPASA-N 1 0 491.632 5.143 50 0 JKAARO CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@H+](C[C@H](O)c1ccccc1)CC1CC1 ZINC000036316318 569762630 /nfs/dbraw/zinc/76/26/30/569762630.db2.gz GHLZJJWAMDOAFO-LJAQVGFWSA-N 1 0 467.613 6.173 50 0 JKAARO CCCCOC[C@H](O)C[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C(C)C ZINC000036316392 569762799 /nfs/dbraw/zinc/76/27/99/569762799.db2.gz LREDNQDFYNIWAP-XMMPIXPASA-N 1 0 495.664 5.624 50 0 JKAARO CCOC[C@H](O)C[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)[C@@H](C)CC ZINC000036316401 569762805 /nfs/dbraw/zinc/76/28/05/569762805.db2.gz YNYGAYHNKRAINX-JTHBVZDNSA-N 1 0 481.637 5.234 50 0 JKAARO CCc1nn(-c2ccccc2)c(Oc2ccc(OC)cc2)c1C[N@H+](C[C@H](O)COC(C)C)C(C)C ZINC000036316378 569762841 /nfs/dbraw/zinc/76/28/41/569762841.db2.gz FZJGEVIOCIPGJG-QHCPKHFHSA-N 1 0 481.637 5.232 50 0 JKAARO CCOC[C@H](O)C[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)CC(C)C ZINC000036316361 569762862 /nfs/dbraw/zinc/76/28/62/569762862.db2.gz GSRBENIBWYXOPI-HSZRJFAPSA-N 1 0 481.637 5.091 50 0 JKAARO CCOC[C@H](O)C[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1F)CC(C)C ZINC000036316463 569763012 /nfs/dbraw/zinc/76/30/12/569763012.db2.gz IQDXOQYCDKHBQD-JOCHJYFZSA-N 1 0 469.601 5.222 50 0 JKAARO CCC[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C[C@@H](O)COC(C)(C)C ZINC000036316513 569763164 /nfs/dbraw/zinc/76/31/64/569763164.db2.gz WCFDRKZNVDXFOB-HSZRJFAPSA-N 1 0 483.628 5.754 50 0 JKAARO CCCC[C@@H](O)C[NH+]1CCN(c2nc(-c3ccccc3)nc(C)c2Cc2cccc(C)c2)CC1 ZINC000036340596 569763949 /nfs/dbraw/zinc/76/39/49/569763949.db2.gz AIWXUNFRPIQLTF-AREMUKBSSA-N 1 0 458.650 5.024 50 0 JKAARO O=C(C[NH+]1CCC(Cc2ccccc2)CC1)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccccc1Cl ZINC000036340958 569764162 /nfs/dbraw/zinc/76/41/62/569764162.db2.gz MXNWRKTXGMLPEI-NDEPHWFRSA-N 1 0 490.022 6.112 50 0 JKAARO COc1ccc([C@@H]2CC(c3ccccc3F)=NN2C(=O)C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000036341223 569764355 /nfs/dbraw/zinc/76/43/55/569764355.db2.gz LGHPWBQDFNBLJF-LJAQVGFWSA-N 1 0 485.603 5.467 50 0 JKAARO COc1ccc(C2=NN(C(=O)C[NH+]3CCC(Cc4ccccc4)CC3)[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000036341314 569764558 /nfs/dbraw/zinc/76/45/58/569764558.db2.gz OMYQNRSYLHGXHB-GDLZYMKVSA-N 1 0 485.603 5.467 50 0 JKAARO Cc1ccc(C2=NN(C(=O)C[NH+]3CCC(Cc4ccccc4)CC3)[C@H](c3ccccc3)C2)cc1C ZINC000036341593 569764660 /nfs/dbraw/zinc/76/46/60/569764660.db2.gz OSRGTNFPJJEEBT-PMERELPUSA-N 1 0 465.641 5.936 50 0 JKAARO COc1cccc(Oc2c(C[N@H+](CC(C)C)C[C@H](O)COCC(C)C)c(C)nn2-c2ccccc2)c1 ZINC000036341964 569765048 /nfs/dbraw/zinc/76/50/48/569765048.db2.gz CIRNCRLJAJVLEO-VWLOTQADSA-N 1 0 495.664 5.473 50 0 JKAARO CCCC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)CC(C)C ZINC000036341957 569765158 /nfs/dbraw/zinc/76/51/58/569765158.db2.gz QAWZXAPMEZEBPD-XMMPIXPASA-N 1 0 465.638 5.991 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[N@H+](C[C@H](O)COC(C)(C)C)CC1CC1 ZINC000036342124 569765517 /nfs/dbraw/zinc/76/55/17/569765517.db2.gz LKFKBIOFDUBFKV-DEOSSOPVSA-N 1 0 481.612 5.500 50 0 JKAARO Cc1ccc([C@@H]2CC(c3cccc(F)c3)=NN2C(=O)C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000036343689 569766526 /nfs/dbraw/zinc/76/65/26/569766526.db2.gz RWDFZHYGTZFTIW-LJAQVGFWSA-N 1 0 469.604 5.767 50 0 JKAARO CCOc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2C(=O)C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000036343968 569766750 /nfs/dbraw/zinc/76/67/50/569766750.db2.gz PHGOOCGYWCCBLS-SSEXGKCCSA-N 1 0 499.630 5.857 50 0 JKAARO CCOc1ccc([C@@H]2CC(c3ccccc3Cl)=NN2C(=O)C[N@H+](C)C2CCCCC2)cc1 ZINC000036344020 569766754 /nfs/dbraw/zinc/76/67/54/569766754.db2.gz MUQQBMANKATZEH-VWLOTQADSA-N 1 0 454.014 5.681 50 0 JKAARO O=C(C[NH+]1CCC(Cc2ccccc2)CC1)N1N=C(c2ccccc2)C[C@H]1c1ccc2c(c1)OCO2 ZINC000036344420 569766881 /nfs/dbraw/zinc/76/68/81/569766881.db2.gz RUECOLNZTVKUPB-MHZLTWQESA-N 1 0 481.596 5.048 50 0 JKAARO Cc1ccc(C2=NN(C(=O)C[NH+]3CCC(Cc4ccccc4)CC3)[C@H](c3ccc4c(c3)OCO4)C2)cc1 ZINC000036344452 569767005 /nfs/dbraw/zinc/76/70/05/569767005.db2.gz GAWRFEOUEOMESI-NDEPHWFRSA-N 1 0 495.623 5.356 50 0 JKAARO Cc1ccc(C)c([C@@H]2CC(c3ccc(C)c(C)c3)=NN2C(=O)C[NH+]2CCC(Cc3ccccc3)CC2)c1 ZINC000036344536 569767084 /nfs/dbraw/zinc/76/70/84/569767084.db2.gz OCHMFVHCIWMEFX-YTTGMZPUSA-N 1 0 493.695 6.553 50 0 JKAARO Cc1ccc(C)c([C@H]2CC(c3ccc(C)c(C)c3)=NN2C(=O)C[NH+]2CCC(Cc3ccccc3)CC2)c1 ZINC000036344537 569767096 /nfs/dbraw/zinc/76/70/96/569767096.db2.gz OCHMFVHCIWMEFX-JGCGQSQUSA-N 1 0 493.695 6.553 50 0 JKAARO Cc1cccc(C2=NN(C(=O)C[NH+]3CCC(Cc4ccccc4)CC3)[C@H](c3cc(C)ccc3C)C2)c1 ZINC000036344636 569767300 /nfs/dbraw/zinc/76/73/00/569767300.db2.gz KCFXXRCXTPMQDJ-HKBQPEDESA-N 1 0 479.668 6.244 50 0 JKAARO COc1ccccc1C1=NN(C(=O)C[NH+]2CCC(Cc3ccccc3)CC2)[C@H](c2cccc(F)c2)C1 ZINC000036344837 569767407 /nfs/dbraw/zinc/76/74/07/569767407.db2.gz FJEUSDJCFLIZKZ-NDEPHWFRSA-N 1 0 485.603 5.467 50 0 JKAARO O=C(C[NH+]1CCC(Cc2ccccc2)CC1)N1N=C(c2ccccc2)C[C@@H]1c1ccc(Cl)cc1 ZINC000036345030 569767581 /nfs/dbraw/zinc/76/75/81/569767581.db2.gz BNKKTXYGTLIOSJ-MUUNZHRXSA-N 1 0 472.032 5.972 50 0 JKAARO COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000036345084 569767600 /nfs/dbraw/zinc/76/76/00/569767600.db2.gz BJQGNAWQWFWONI-GDLZYMKVSA-N 1 0 467.613 5.328 50 0 JKAARO CCc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[N@H+](C[C@H](O)COC(C)(C)C)C(C)C ZINC000036345811 569768172 /nfs/dbraw/zinc/76/81/72/569768172.db2.gz ARUSUZQLTNXFKK-QHCPKHFHSA-N 1 0 483.628 5.753 50 0 JKAARO CCc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[N@H+](C[C@@H](O)Cc1ccccc1)C(C)C ZINC000036345804 569768231 /nfs/dbraw/zinc/76/82/31/569768231.db2.gz YKIOGURSZPMEFD-SANMLTNESA-N 1 0 487.619 6.180 50 0 JKAARO Cc1ccccc1[C@@H]1CC(c2cccc(F)c2)=NN1C(=O)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000036345719 569768244 /nfs/dbraw/zinc/76/82/44/569768244.db2.gz NILVLUBJZKDYER-LJAQVGFWSA-N 1 0 469.604 5.767 50 0 JKAARO CC[C@@H](C)[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C[C@H](O)COC(C)C ZINC000036345821 569768343 /nfs/dbraw/zinc/76/83/43/569768343.db2.gz WKONNEUVQSFMJK-RDGATRHJSA-N 1 0 465.638 5.668 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@@H+](C[C@@H](O)Cc1ccccc1)C(C)C ZINC000036345860 569768349 /nfs/dbraw/zinc/76/83/49/569768349.db2.gz QJQOCSXJJFYJCF-MHZLTWQESA-N 1 0 469.629 6.095 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@H+](C[C@H](O)Cc1ccccc1)C1CC1 ZINC000036345885 569768364 /nfs/dbraw/zinc/76/83/64/569768364.db2.gz NQFAWKMFSWOFMQ-HHHXNRCGSA-N 1 0 467.613 5.849 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@H+](CC(C)C)C[C@@H](O)Cc1ccccc1 ZINC000036345834 569768386 /nfs/dbraw/zinc/76/83/86/569768386.db2.gz OIPASKBPZIVLGL-NDEPHWFRSA-N 1 0 483.656 6.343 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@H+](CC(C)C)C[C@H](O)COC(C)C ZINC000036345831 569768402 /nfs/dbraw/zinc/76/84/02/569768402.db2.gz PUYPNAZMNOXLPM-VWLOTQADSA-N 1 0 465.638 5.525 50 0 JKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@H](O)COc1ccccc1 ZINC000036345909 569768542 /nfs/dbraw/zinc/76/85/42/569768542.db2.gz VNIVBPCUODSZHF-SANMLTNESA-N 1 0 485.628 5.933 50 0 JKAARO CCCCOC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)CC(C)C ZINC000036345960 569768586 /nfs/dbraw/zinc/76/85/86/569768586.db2.gz SPWGLHCQCYOKEC-DEOSSOPVSA-N 1 0 483.628 5.748 50 0 JKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@H](O)COC(C)(C)C ZINC000036345927 569768595 /nfs/dbraw/zinc/76/85/95/569768595.db2.gz JPOQCYHVNYOBNV-DEOSSOPVSA-N 1 0 465.638 5.669 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@H+](CC(C)C)C[C@H](O)COC(C)C ZINC000036345961 569768604 /nfs/dbraw/zinc/76/86/04/569768604.db2.gz PXNMFUFFOHDUTP-QHCPKHFHSA-N 1 0 469.601 5.356 50 0 JKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@H](O)COC(C)C ZINC000036345913 569768707 /nfs/dbraw/zinc/76/87/07/569768707.db2.gz YGDPULJXMZICFJ-DEOSSOPVSA-N 1 0 451.611 5.279 50 0 JKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@H](O)Cc1ccccc1 ZINC000036346057 569768762 /nfs/dbraw/zinc/76/87/62/569768762.db2.gz JHBKMKQQZJEVJI-RUZDIDTESA-N 1 0 473.592 5.928 50 0 JKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@@H](O)Cc1ccccc1 ZINC000036346058 569768807 /nfs/dbraw/zinc/76/88/07/569768807.db2.gz JHBKMKQQZJEVJI-VWLOTQADSA-N 1 0 473.592 5.928 50 0 JKAARO CCCCOC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)CC1CC1 ZINC000036346077 569768900 /nfs/dbraw/zinc/76/89/00/569768900.db2.gz DVASJIWXUKAWFB-XMMPIXPASA-N 1 0 481.612 5.502 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1C[N@H+](CC(C)C)C[C@H](O)Cc1ccccc1 ZINC000036346117 569769043 /nfs/dbraw/zinc/76/90/43/569769043.db2.gz CFLAHKBTVQYGAH-MUUNZHRXSA-N 1 0 483.656 6.343 50 0 JKAARO CCOC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)CC(C)C ZINC000036346136 569769052 /nfs/dbraw/zinc/76/90/52/569769052.db2.gz DLZMLUABAQLWLJ-DEOSSOPVSA-N 1 0 451.611 5.137 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1C[N@H+](CC(C)C)C[C@@H](O)COC(C)(C)C ZINC000036346128 569769064 /nfs/dbraw/zinc/76/90/64/569769064.db2.gz XODBHTGNLXZMGC-RUZDIDTESA-N 1 0 479.665 5.915 50 0 JKAARO CCOC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)[C@H](C)CC ZINC000036346193 569769269 /nfs/dbraw/zinc/76/92/69/569769269.db2.gz WTAKVRIEVMBHGD-QPPBQGQZSA-N 1 0 451.611 5.279 50 0 JKAARO CCCCOC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C(C)C ZINC000036346285 569769413 /nfs/dbraw/zinc/76/94/13/569769413.db2.gz WXBUWVQFCBTQFX-XMMPIXPASA-N 1 0 469.601 5.500 50 0 JKAARO CC[C@H](C)[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@H](O)COC(C)(C)C ZINC000036346318 569769430 /nfs/dbraw/zinc/76/94/30/569769430.db2.gz LFNPGAZHABVBTM-RDPSFJRHSA-N 1 0 483.628 5.889 50 0 JKAARO CC[C@@H](C)[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@H](O)COC(C)C ZINC000036346315 569769450 /nfs/dbraw/zinc/76/94/50/569769450.db2.gz WXIPNPZQGLYDIU-YKSBVNFPSA-N 1 0 469.601 5.499 50 0 JKAARO CCCCOC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C(C)C ZINC000036346286 569769459 /nfs/dbraw/zinc/76/94/59/569769459.db2.gz WXBUWVQFCBTQFX-DEOSSOPVSA-N 1 0 469.601 5.500 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@@H+](C[C@H](O)COCC(C)C)C(C)C ZINC000036346295 569769499 /nfs/dbraw/zinc/76/94/99/569769499.db2.gz JCIOEHGMKXHTHD-DEOSSOPVSA-N 1 0 469.601 5.356 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@@H+](C[C@@H](O)COC(C)(C)C)C(C)C ZINC000036346304 569769520 /nfs/dbraw/zinc/76/95/20/569769520.db2.gz CYVGNVBGJNGUTO-HSZRJFAPSA-N 1 0 469.601 5.499 50 0 JKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@H](O)COCC(C)C ZINC000036346378 569769675 /nfs/dbraw/zinc/76/96/75/569769675.db2.gz GQSYXXGXEGPZBG-DEOSSOPVSA-N 1 0 469.601 5.358 50 0 JKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@@H](O)COC(C)(C)C ZINC000036346387 569769787 /nfs/dbraw/zinc/76/97/87/569769787.db2.gz UCBXMSVTXDQIPK-HSZRJFAPSA-N 1 0 469.601 5.500 50 0 JKAARO CCOC[C@@H](O)C[N@@H+](Cc1c(C(C)C)nn(-c2ccc(OC)cc2)c1Oc1ccccc1)CC1CC1 ZINC000036346506 569769879 /nfs/dbraw/zinc/76/98/79/569769879.db2.gz YLMCPTUNPNTTKO-DEOSSOPVSA-N 1 0 493.648 5.406 50 0 JKAARO CCOC[C@H](O)C[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C(C)C ZINC000036346524 569769900 /nfs/dbraw/zinc/76/99/00/569769900.db2.gz ZCQMRZGJTJRQSN-HSZRJFAPSA-N 1 0 451.611 5.143 50 0 JKAARO CCc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@H+](C[C@H](O)Cc1ccccc1)CC1CC1 ZINC000036346533 569769921 /nfs/dbraw/zinc/76/99/21/569769921.db2.gz MXRPGYLGWBFGDK-MUUNZHRXSA-N 1 0 495.667 6.351 50 0 JKAARO CCC[C@H](O)C[N@H+](Cc1c(C(C)C)nn(-c2ccc(OC)cc2)c1Oc1ccccc1)C1CC1 ZINC000036346483 569769933 /nfs/dbraw/zinc/76/99/33/569769933.db2.gz KPJCHFIJAJZBAX-QHCPKHFHSA-N 1 0 463.622 5.922 50 0 JKAARO COc1ccc(-n2nc(C(C)C)c(C[N@H+](C[C@@H](O)c3ccccc3)C(C)C)c2Oc2ccccc2)cc1 ZINC000036346466 569769940 /nfs/dbraw/zinc/76/99/40/569769940.db2.gz QFGMBDQQAIUTDB-GDLZYMKVSA-N 1 0 499.655 6.741 50 0 JKAARO CCOC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)[C@H](C)CC ZINC000036346561 569770007 /nfs/dbraw/zinc/77/00/07/569770007.db2.gz WOBFMMXUQLTEOH-GCJKJVERSA-N 1 0 473.564 5.249 50 0 JKAARO CC[C@H](C)[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C[C@H](O)COC(C)C ZINC000036346558 569770090 /nfs/dbraw/zinc/77/00/90/569770090.db2.gz WWYBGCOBSRODMY-CVDCTZTESA-N 1 0 487.591 5.638 50 0 JKAARO Cc1nn(-c2ccc(F)cc2)c(Oc2ccccc2F)c1C[N@@H+](C[C@H](O)COC(C)(C)C)C(C)C ZINC000036346583 569770105 /nfs/dbraw/zinc/77/01/05/569770105.db2.gz RGKSDTJGUZXISN-QFIPXVFZSA-N 1 0 487.591 5.638 50 0 JKAARO CCc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@H+](C[C@H](O)COC(C)(C)C)CC1CC1 ZINC000036346546 569770111 /nfs/dbraw/zinc/77/01/11/569770111.db2.gz VBKOQMQWZPXCRQ-VWLOTQADSA-N 1 0 491.676 5.923 50 0 JKAARO CC[C@@H](C)[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C[C@H](O)COC(C)C ZINC000036346557 569770165 /nfs/dbraw/zinc/77/01/65/569770165.db2.gz WWYBGCOBSRODMY-XXBNENTESA-N 1 0 487.591 5.638 50 0 JKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccccc1F)C[C@@H](O)COCC(C)C ZINC000036346600 569770174 /nfs/dbraw/zinc/77/01/74/569770174.db2.gz VUIHSRJMZAVYKX-HSZRJFAPSA-N 1 0 487.591 5.497 50 0 JKAARO Cc1nn(-c2ccc(F)cc2)c(Oc2ccccc2F)c1C[N@@H+](C[C@@H](O)COC(C)(C)C)C(C)C ZINC000036346584 569770180 /nfs/dbraw/zinc/77/01/80/569770180.db2.gz RGKSDTJGUZXISN-JOCHJYFZSA-N 1 0 487.591 5.638 50 0 JKAARO Cc1nn(-c2ccc(F)cc2)c(Oc2ccccc2F)c1C[N@@H+](C[C@H](O)COCC(C)C)C(C)C ZINC000036346581 569770184 /nfs/dbraw/zinc/77/01/84/569770184.db2.gz IGQZITKTLQFPEA-QHCPKHFHSA-N 1 0 487.591 5.495 50 0 JKAARO CCCC[C@@H](O)C[N@H+](CCC)Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccccc1F ZINC000036346616 569770287 /nfs/dbraw/zinc/77/02/87/569770287.db2.gz ZRHGXEHGWCLBFK-JOCHJYFZSA-N 1 0 457.565 6.014 50 0 JKAARO Cc1nn(-c2ccc(F)cc2)c(Oc2cccc(F)c2)c1C[N@@H+](C[C@H](O)COC(C)(C)C)C(C)C ZINC000036346639 569770299 /nfs/dbraw/zinc/77/02/99/569770299.db2.gz HEIYELNWQWRMJJ-QHCPKHFHSA-N 1 0 487.591 5.638 50 0 JKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccccc1F)C[C@H](O)COC(C)(C)C ZINC000036346605 569770398 /nfs/dbraw/zinc/77/03/98/569770398.db2.gz RAPXCGGQEYVPLC-QFIPXVFZSA-N 1 0 487.591 5.639 50 0 JKAARO CCCC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1)C1CC1 ZINC000036346741 569770670 /nfs/dbraw/zinc/77/06/70/569770670.db2.gz ATFMWBBJVOPSCS-QHCPKHFHSA-N 1 0 455.549 5.767 50 0 JKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1)C[C@H](O)COC(C)(C)C ZINC000036346759 569770842 /nfs/dbraw/zinc/77/08/42/569770842.db2.gz BBPXOCFJJPTRRQ-QHCPKHFHSA-N 1 0 487.591 5.639 50 0 JKAARO CC[C@@H](C)[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)C[C@H](O)COC(C)(C)C ZINC000036346817 569770969 /nfs/dbraw/zinc/77/09/69/569770969.db2.gz DIUQGRGQPGNNAG-VWNXMTODSA-N 1 0 479.665 5.964 50 0 JKAARO COc1ccc(-c2noc3nc(C)cc(C(=O)Nc4ccc(C[NH+]5CCCCC5)cc4)c32)cc1 ZINC000036619247 569778569 /nfs/dbraw/zinc/77/85/69/569778569.db2.gz WSZBEJZCZMCMDL-UHFFFAOYSA-N 1 0 456.546 5.445 50 0 JKAARO COc1ccc(N(C(=O)c2ccc(C)cc2)C2CC[NH+](Cc3cc(OC)cc(OC)c3)CC2)cc1 ZINC000037280012 569782515 /nfs/dbraw/zinc/78/25/15/569782515.db2.gz XMDRXFWRDTWQDL-UHFFFAOYSA-N 1 0 474.601 5.332 50 0 JKAARO Cc1cccc(N(Cc2ccc(C(=O)NCC[NH+](C)C)o2)c2nc(-c3ccc(Cl)cc3)cs2)c1 ZINC000037438732 569790473 /nfs/dbraw/zinc/79/04/73/569790473.db2.gz SCDRISPMTAEUHL-UHFFFAOYSA-N 1 0 495.048 5.995 50 0 JKAARO CN(C)c1ccc(C2=[NH+]O[C@H](CN(Cc3cccc(C(F)(F)F)c3)C(=O)c3ccccc3F)C2)cc1 ZINC000037439089 569790542 /nfs/dbraw/zinc/79/05/42/569790542.db2.gz OTRYXMNHSYYWBK-QFIPXVFZSA-N 1 0 499.508 5.746 50 0 JKAARO CN(C)c1ccc(C2=[NH+]O[C@@H](CN(Cc3cccc(C(F)(F)F)c3)C(=O)c3ccccc3F)C2)cc1 ZINC000037439091 569790594 /nfs/dbraw/zinc/79/05/94/569790594.db2.gz OTRYXMNHSYYWBK-JOCHJYFZSA-N 1 0 499.508 5.746 50 0 JKAARO COc1cccc([C@H]2C[N@H+](Cc3cccc(C(F)(F)F)c3)C[C@H]2CN(CC(C)C)C(=O)C(C)C)c1 ZINC000037523993 569792840 /nfs/dbraw/zinc/79/28/40/569792840.db2.gz BTIYYAQGWGXZCH-JYFHCDHNSA-N 1 0 490.610 6.070 50 0 JKAARO COc1cccc([C@H]2C[N@H+](Cc3cccc(C(F)(F)F)c3)C[C@@H]2CN(CC(C)C)C(=O)C(C)C)c1 ZINC000037523994 569792866 /nfs/dbraw/zinc/79/28/66/569792866.db2.gz BTIYYAQGWGXZCH-ZEQKJWHPSA-N 1 0 490.610 6.070 50 0 JKAARO CC(C)CN(C[C@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2)C[C@@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000037523706 569792880 /nfs/dbraw/zinc/79/28/80/569792880.db2.gz ZPIVUCUQUYZFHQ-RCZVLFRGSA-N 1 0 478.574 6.201 50 0 JKAARO COc1cccc([C@H]2C[N@H+](Cc3ccccc3Cl)C[C@@H]2CN(CC(C)C)C(=O)c2ccccc2)c1 ZINC000037524142 569793041 /nfs/dbraw/zinc/79/30/41/569793041.db2.gz ZQYQUWQCESTEPU-IXCJQBJRSA-N 1 0 491.075 6.363 50 0 JKAARO C[NH+](C)CCNC(=O)c1cc2sc(Br)cc2n1Cc1ccc(C(C)(C)C)cc1 ZINC000037542094 569793827 /nfs/dbraw/zinc/79/38/27/569793827.db2.gz YHTDYBSZQYONQG-UHFFFAOYSA-N 1 0 462.457 5.103 50 0 JKAARO COc1cc(C[NH+]2CCC(N(C(=O)c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc(OC)c1 ZINC000037560273 569795517 /nfs/dbraw/zinc/79/55/17/569795517.db2.gz NDQJMBWOEHCIOQ-UHFFFAOYSA-N 1 0 466.528 5.293 50 0 JKAARO COc1ccc(C[NH+]2CCC(N(C(=O)c3ccccc3)c3ccc(OC)c(OC)c3)CC2)cc1 ZINC000037559664 569795525 /nfs/dbraw/zinc/79/55/25/569795525.db2.gz PJAVZQBDPFRTRJ-UHFFFAOYSA-N 1 0 460.574 5.024 50 0 JKAARO O=S(=O)(c1ccc(Cl)cc1)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000037559535 569795537 /nfs/dbraw/zinc/79/55/37/569795537.db2.gz PINRNCZYDBWIBY-UHFFFAOYSA-N 1 0 458.986 5.339 50 0 JKAARO COc1cc(C[NH+]2CCC(N(C(=O)c3cccc(C)c3)c3ccc(C)cc3)CC2)cc(OC)c1 ZINC000037560478 569795540 /nfs/dbraw/zinc/79/55/40/569795540.db2.gz QZRKELMFWWNKIB-UHFFFAOYSA-N 1 0 458.602 5.632 50 0 JKAARO COc1cccc(N(C(=O)c2cccc(Cl)c2)C2CC[NH+](Cc3cccc(F)c3)CC2)c1 ZINC000037560085 569795614 /nfs/dbraw/zinc/79/56/14/569795614.db2.gz QRVIOOWPYDYWAS-UHFFFAOYSA-N 1 0 452.957 5.799 50 0 JKAARO COc1cc(C[NH+]2CCC(N(C(=O)c3ccccc3)c3ccc(OC)c(OC)c3)CC2)cc(OC)c1 ZINC000037570617 569795691 /nfs/dbraw/zinc/79/56/91/569795691.db2.gz WLZHULKUJGTQEV-UHFFFAOYSA-N 1 0 490.600 5.032 50 0 JKAARO COc1ccc(C[NH+]2CCC(N(c3ccc(F)cc3)S(=O)(=O)c3ccccc3C)CC2)cc1 ZINC000037570698 569795912 /nfs/dbraw/zinc/79/59/12/569795912.db2.gz HCNYNLGWPYTXRT-UHFFFAOYSA-N 1 0 468.594 5.003 50 0 JKAARO COc1ccc(C(=O)Nc2ccc3[nH+]c4c(c(Nc5ccccc5OC)c3c2)CCCC4)cc1 ZINC000101431568 569797584 /nfs/dbraw/zinc/79/75/84/569797584.db2.gz WJKVZPGCMVUOCC-UHFFFAOYSA-N 1 0 453.542 6.127 50 0 JKAARO CCc1cc([C@@H](c2ccc(OC)c(OC)c2)[NH+]2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038545939 569802582 /nfs/dbraw/zinc/80/25/82/569802582.db2.gz LYGCBBHFRZSMQJ-HSZRJFAPSA-N 1 0 454.592 5.748 50 0 JKAARO O=C(Nc1sc2c(c1[C@@H](c1cccc(Cl)c1)[NH+]1CCCCC1)CCCC2)c1ccco1 ZINC000038545962 569802641 /nfs/dbraw/zinc/80/26/41/569802641.db2.gz NGCOILNLJDNBKZ-HSZRJFAPSA-N 1 0 455.023 6.701 50 0 JKAARO O=C(Nc1sc2c(c1[C@H](c1ccc(OC(F)F)cc1)[NH+]1CCCCC1)CCCC2)c1ccco1 ZINC000038546135 569802648 /nfs/dbraw/zinc/80/26/48/569802648.db2.gz PJBCWNHLTNLPBR-QHCPKHFHSA-N 1 0 486.584 6.649 50 0 JKAARO COc1cccc([C@@H](c2c(C)c(C)sc2NC(=O)c2cccs2)[NH+]2CCCCC2)c1OC ZINC000038546003 569802673 /nfs/dbraw/zinc/80/26/73/569802673.db2.gz AFSPPKJACNNMOG-QFIPXVFZSA-N 1 0 470.660 6.271 50 0 JKAARO CSc1ccc([C@@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)[NH+]2CCCCC2)cc1 ZINC000038546132 569802689 /nfs/dbraw/zinc/80/26/89/569802689.db2.gz UCZVPGREPQXYFE-DEOSSOPVSA-N 1 0 466.672 6.769 50 0 JKAARO CCc1cc([C@H](c2ccc(OC(F)F)cc2)[NH+]2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038546118 569802694 /nfs/dbraw/zinc/80/26/94/569802694.db2.gz HQXJOYOEFRJYSU-NRFANRHFSA-N 1 0 460.546 6.333 50 0 JKAARO COc1ccc([C@@H](c2c(C)c(C)sc2NC(=O)c2cccs2)[NH+]2CCCCC2)c(OC)c1 ZINC000038545999 569802711 /nfs/dbraw/zinc/80/27/11/569802711.db2.gz WJJKRZPCMWJJFS-QHCPKHFHSA-N 1 0 470.660 6.271 50 0 JKAARO CCc1cc([C@@H](c2ccc(OC(F)F)cc2)[NH+]2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038546117 569802728 /nfs/dbraw/zinc/80/27/28/569802728.db2.gz HQXJOYOEFRJYSU-OAQYLSRUSA-N 1 0 460.546 6.333 50 0 JKAARO CCc1cc([C@H](c2ccc3c(c2)OCO3)[NH+]2CCC(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546300 569802840 /nfs/dbraw/zinc/80/28/40/569802840.db2.gz VTRMOKOVYMBKIB-QHCPKHFHSA-N 1 0 452.576 5.706 50 0 JKAARO COc1cccc([C@@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)[NH+]2CCC(C)CC2)c1 ZINC000038546311 569802907 /nfs/dbraw/zinc/80/29/07/569802907.db2.gz KTGAIHAUIWBLOF-VWLOTQADSA-N 1 0 464.631 6.302 50 0 JKAARO COc1ccc([C@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)[NH+]2CCC(C)CC2)cc1 ZINC000038546310 569802970 /nfs/dbraw/zinc/80/29/70/569802970.db2.gz QWYPWLQBFDKGIF-RUZDIDTESA-N 1 0 464.631 6.302 50 0 JKAARO CCc1cc([C@@H](c2ccccc2Cl)N2CC[NH+](CC)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546535 569803233 /nfs/dbraw/zinc/80/32/33/569803233.db2.gz GRMHEYLTDIGXNW-JOCHJYFZSA-N 1 0 458.027 5.536 50 0 JKAARO CC[NH+]1CCN([C@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)c2ccc(F)cc2)CC1 ZINC000038546579 569803425 /nfs/dbraw/zinc/80/34/25/569803425.db2.gz NXGIGKPOEBWEST-DEOSSOPVSA-N 1 0 467.610 5.338 50 0 JKAARO CC[NH+]1CCN([C@@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)c2cccc(F)c2)CC1 ZINC000038546582 569803429 /nfs/dbraw/zinc/80/34/29/569803429.db2.gz BWGHHZJGJVLDLH-XMMPIXPASA-N 1 0 467.610 5.338 50 0 JKAARO CC[NH+]1CCN([C@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)c2ccccc2Cl)CC1 ZINC000038546577 569803446 /nfs/dbraw/zinc/80/34/46/569803446.db2.gz WKVUCSZUUJTYST-DEOSSOPVSA-N 1 0 484.065 5.853 50 0 JKAARO COc1ccc([C@H](c2c(C)c(C)sc2NC(=O)c2cccs2)[NH+]2CCC(C)CC2)cc1 ZINC000038546703 569803549 /nfs/dbraw/zinc/80/35/49/569803549.db2.gz PSGDKANQDRMMDC-HSZRJFAPSA-N 1 0 454.661 6.509 50 0 JKAARO CC[NH+]1CCN([C@H](c2c(C)c(C)sc2NC(=O)c2cccs2)c2cccc(OC)c2)CC1 ZINC000038546769 569803647 /nfs/dbraw/zinc/80/36/47/569803647.db2.gz HMLISRBSNGEGLP-QHCPKHFHSA-N 1 0 469.676 5.414 50 0 JKAARO CC[NH+]1CCN([C@@H](c2c(C)c(C)sc2NC(=O)c2cccs2)c2cccc(F)c2)CC1 ZINC000038546780 569803672 /nfs/dbraw/zinc/80/36/72/569803672.db2.gz ABWBWBQUTURJLO-JOCHJYFZSA-N 1 0 457.640 5.545 50 0 JKAARO CC[NH+]1CCN([C@H](c2c(C)c(C)sc2NC(=O)c2cccs2)c2cccc(Cl)c2)CC1 ZINC000038546775 569803706 /nfs/dbraw/zinc/80/37/06/569803706.db2.gz HDHCXBKPSKGHQI-QFIPXVFZSA-N 1 0 474.095 6.059 50 0 JKAARO CC[NH+]1CCN([C@@H](c2c(C)c(C)sc2NC(=O)c2cccs2)c2ccc(Cl)cc2)CC1 ZINC000038546774 569803717 /nfs/dbraw/zinc/80/37/17/569803717.db2.gz NSXFCNGNKKRJHK-JOCHJYFZSA-N 1 0 474.095 6.059 50 0 JKAARO Oc1cc(OCC[NH+]2CCN(c3ccccc3)CC2)ccc1-c1n[nH]cc1-c1ccc(Cl)cc1 ZINC000039354653 569809388 /nfs/dbraw/zinc/80/93/88/569809388.db2.gz ZJWCWRFCJWPXJY-UHFFFAOYSA-N 1 0 474.992 5.304 50 0 JKAARO CCN1c2ccccc2S/C1=C\C=C1\C=C(/C=C/c2sc3ccccc3[n+]2CC)CCC1 ZINC000039440184 569809922 /nfs/dbraw/zinc/80/99/22/569809922.db2.gz YWMKLQIUJCCSOD-UHFFFAOYSA-N 1 0 457.688 7.732 50 0 JKAARO CCN1c2ccccc2S/C1=C/C1=C/C(=C/c2sc3ccc(OC)cc3[n+]2CC)CC(C)(C)C1 ZINC000039440307 569809925 /nfs/dbraw/zinc/80/99/25/569809925.db2.gz NOEUHRMWFLKSHD-UHFFFAOYSA-N 1 0 489.730 7.821 50 0 JKAARO CCOC(=O)c1c(NC(=O)c2ccccc2)sc(C[NH+](C)C)c1-c1ccc(Br)cc1 ZINC000039929461 569812250 /nfs/dbraw/zinc/81/22/50/569812250.db2.gz TVYCBLLSXJGJJV-UHFFFAOYSA-N 1 0 487.419 5.668 50 0 JKAARO CC1(C)CC2=C(SC(=O)c3ccccc3[C@H]2c2cccs2)N(C(=[NH2+])Nc2ccccc2)C1 ZINC000039932008 569812413 /nfs/dbraw/zinc/81/24/13/569812413.db2.gz WCXZRAQIQRJRKL-JOCHJYFZSA-N 1 0 459.640 6.757 50 0 JKAARO CCOC(=O)[C@@H]1CCC[N@@H+]([C@@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)c2ccccc2)C1 ZINC000102423122 569813015 /nfs/dbraw/zinc/81/30/15/569813015.db2.gz JMJTUDCRHYLANB-ILBGXUMGSA-N 1 0 476.642 5.982 50 0 JKAARO CCCc1ccc([C@H]([NH2+][C@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c2cccs2)cc1 ZINC000039992574 569813429 /nfs/dbraw/zinc/81/34/29/569813429.db2.gz ATIKYBJPOGMRCZ-BCHFMIIMSA-N 1 0 488.657 5.205 50 0 JKAARO COc1ccc([C@@H]2[NH2+]C[C@@H](c3ccccc3)c3c4ccccc4[nH]c32)cc1OCc1ccccc1 ZINC000040013425 569813822 /nfs/dbraw/zinc/81/38/22/569813822.db2.gz KWRPUAOQVCRDMV-QCDSWUKFSA-N 1 0 460.577 6.580 50 0 JKAARO C[N@H+](Cc1ccccc1NC(=O)Cc1csc(NC(=O)c2ccccc2)n1)C1CCCCC1 ZINC000040040625 569814737 /nfs/dbraw/zinc/81/47/37/569814737.db2.gz YFBBDVXTEOSZSL-UHFFFAOYSA-N 1 0 462.619 5.341 50 0 JKAARO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)CCc3ncc(-c4c(F)cccc4F)o3)cc2)C1 ZINC000040121407 569816714 /nfs/dbraw/zinc/81/67/14/569816714.db2.gz CTPVCHTXIZFAAM-RTBURBONSA-N 1 0 467.560 5.347 50 0 JKAARO NC1=C(c2nc(-c3ccccc3)cs2)C(=O)CN1CCC1CC[NH+](Cc2ccccc2)CC1 ZINC000102716909 569817013 /nfs/dbraw/zinc/81/70/13/569817013.db2.gz QCDONOHBUVECLE-UHFFFAOYSA-N 1 0 458.631 5.674 50 0 JKAARO C[C@@H](c1ccccc1)N(Cc1nc(C(=O)NCC[NH+](C)C)co1)Cc1ccc(Cl)c(Cl)c1 ZINC000040402424 569827808 /nfs/dbraw/zinc/82/78/08/569827808.db2.gz XVBHHZAMMKQBRM-KRWDZBQOSA-N 1 0 475.420 5.036 50 0 JKAARO COc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3N2CCN(c3ccc(C)cc3)[C@H](C)C2)cc1 ZINC000103174619 569833634 /nfs/dbraw/zinc/83/36/34/569833634.db2.gz QAGLHTCNSFELKC-HSZRJFAPSA-N 1 0 489.623 6.120 50 0 JKAARO CCCCn1c(=S)n(CN2CCC[C@H]2c2cc(OC)ccc2OC)nc1[C@H](CC)[NH+](C)C ZINC000103450653 569834999 /nfs/dbraw/zinc/83/49/99/569834999.db2.gz RGMISIFYKJPALE-SFTDATJTSA-N 1 0 461.676 5.039 50 0 JKAARO CC1=C(C)[C@H]([NH2+]C[C@@H]2CCCO2)N(C[C@]2(C)CCC[C@@]3(C)c4ccc(C(C)C)cc4CC[C@@H]23)C1=O ZINC000103540234 569835999 /nfs/dbraw/zinc/83/59/99/569835999.db2.gz UKAOSFBZTLJMQZ-VHHYWBIWSA-N 1 0 478.721 6.094 50 0 JKAARO Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2[C@H]1C[C@@H](C[NH+]2CCCC2)C1 ZINC000103588519 569836440 /nfs/dbraw/zinc/83/64/40/569836440.db2.gz LSFLAQVDISHMNB-AFARHQOCSA-N 1 0 453.590 5.306 50 0 in-vitro JKAARO Cc1c(C(=O)NCCC[NH+]2[C@H](C)CCC[C@H]2C)oc2ccc3c(c12)[C@@H](O)CC1(CCCCC1)O3 ZINC000103667029 569836907 /nfs/dbraw/zinc/83/69/07/569836907.db2.gz QTJSTJWVVPXYCA-SBHAEUEKSA-N 1 0 468.638 5.643 50 0 biogenic JKAARO CC(C)(C)OC[C@@H](O)C[N@@H+](Cc1ccccc1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000104983099 569847952 /nfs/dbraw/zinc/84/79/52/569847952.db2.gz KBTBSKVYDLDWMJ-VQTJNVASSA-N 1 0 465.421 5.165 50 0 JKAARO O[C@H](Cc1ccccc1)C[N@@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000104982609 569847955 /nfs/dbraw/zinc/84/79/55/569847955.db2.gz VLFVYSKZIPNLLA-DHIUTWEWSA-N 1 0 487.402 5.731 50 0 JKAARO CC(C)(C)OC[C@H](O)C[N@@H+](Cc1cccc(F)c1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000104982640 569848013 /nfs/dbraw/zinc/84/80/13/569848013.db2.gz FXPCGERLWDQDSG-WOJBJXKFSA-N 1 0 483.411 5.304 50 0 JKAARO CC(C)(C)OC[C@@H](O)C[N@@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104982902 569848027 /nfs/dbraw/zinc/84/80/27/569848027.db2.gz MHCBUJYEERBCBT-FCHUYYIVSA-N 1 0 465.421 5.165 50 0 JKAARO Cc1ccccc1OC[C@@H](O)C[N@@H+](Cc1ccccc1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000104983161 569848038 /nfs/dbraw/zinc/84/80/38/569848038.db2.gz OUPYRAFXYKMKCL-XZOQPEGZSA-N 1 0 499.438 5.737 50 0 JKAARO CC(C)COC[C@@H](O)C[N@@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000104982627 569848071 /nfs/dbraw/zinc/84/80/71/569848071.db2.gz KMMQLZZSBAWRJE-LEWJYISDSA-N 1 0 499.866 5.676 50 0 JKAARO CC(C)(C)OC[C@@H](O)C[N@@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000104982926 569848076 /nfs/dbraw/zinc/84/80/76/569848076.db2.gz SWNZNXGTFRGEGF-VQTJNVASSA-N 1 0 483.411 5.304 50 0 JKAARO CC(C)COC[C@@H](O)C[N@@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104982579 569848096 /nfs/dbraw/zinc/84/80/96/569848096.db2.gz OYUIYUCASGMLEV-XZOQPEGZSA-N 1 0 465.421 5.022 50 0 JKAARO O=C(NCc1cccc(F)c1)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccccc2)CC1 ZINC000049535958 569848216 /nfs/dbraw/zinc/84/82/16/569848216.db2.gz LAKQYJNFFWLNHS-UHFFFAOYSA-N 1 0 455.577 5.357 50 0 JKAARO O=C(NCc1ccc(F)cc1)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccccc2)CC1 ZINC000049535954 569848239 /nfs/dbraw/zinc/84/82/39/569848239.db2.gz OPXPNVOFYSLDEE-UHFFFAOYSA-N 1 0 455.577 5.357 50 0 JKAARO Cc1cccc(C[N@@H+](Cc2c(-c3ccccc3)noc2N(C)C(C)C)C[C@@H](O)COC(C)C)c1 ZINC000104999507 569849023 /nfs/dbraw/zinc/84/90/23/569849023.db2.gz QIWRTWKMXNEHGY-RUZDIDTESA-N 1 0 465.638 5.283 50 0 JKAARO CCOC[C@@H](O)C[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)[C@H](C)CC ZINC000105006839 569849921 /nfs/dbraw/zinc/84/99/21/569849921.db2.gz YNYGAYHNKRAINX-GGAORHGYSA-N 1 0 481.637 5.234 50 0 JKAARO CCCCOC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)[C@H](C)CC ZINC000105008572 569850248 /nfs/dbraw/zinc/85/02/48/569850248.db2.gz QXAQDCYNPIVUGC-PXDATVDWSA-N 1 0 483.628 5.890 50 0 JKAARO CCOC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)[C@H](C)CC ZINC000105008827 569850320 /nfs/dbraw/zinc/85/03/20/569850320.db2.gz DJXZBNVSSCHMDO-DENIHFKCSA-N 1 0 455.574 5.110 50 0 JKAARO CCOC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)[C@H](C)CC ZINC000105011387 569850823 /nfs/dbraw/zinc/85/08/23/569850823.db2.gz WTAKVRIEVMBHGD-ZJSXRUAMSA-N 1 0 451.611 5.279 50 0 JKAARO CCOC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)[C@H](C)CC ZINC000105011937 569850845 /nfs/dbraw/zinc/85/08/45/569850845.db2.gz ZQRJAOLFBFJXNK-FYYLOGMGSA-N 1 0 451.611 5.186 50 0 JKAARO COCCN(C[C@@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2)C[C@@H]1c1ccccc1C)C(=O)C(C)C ZINC000105018689 569851223 /nfs/dbraw/zinc/85/12/23/569851223.db2.gz XPEYLXKWZFOJEJ-DHLKQENFSA-N 1 0 476.583 5.360 50 0 JKAARO COc1ccccc1[C@@H]1C[N@H+](Cc2ccc(F)c(F)c2)C[C@@H]1CN(CC(C)C)C(=O)C(C)C ZINC000105018847 569851269 /nfs/dbraw/zinc/85/12/69/569851269.db2.gz YDVAVRUXNFOTJQ-FYYLOGMGSA-N 1 0 458.593 5.330 50 0 JKAARO Cc1cccc(C[N@H+]2CCc3ccc(O[C@H](C)C(=O)NCC4CC4)cc3[C@H]2c2ccccc2)c1 ZINC000105034026 569851412 /nfs/dbraw/zinc/85/14/12/569851412.db2.gz WFKVJXIUNROEBO-KPURRNSFSA-N 1 0 454.614 5.436 50 0 JKAARO CC[C@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@@H+](Cc1cccc(C)c1)CC2)C(=O)NC[C@@H]1CCCO1 ZINC000105023278 569851454 /nfs/dbraw/zinc/85/14/54/569851454.db2.gz WEXYDHIQPYZQSU-LHGWWSMPSA-N 1 0 498.667 5.595 50 0 JKAARO Cc1cccc(C[N@H+]2CCc3ccc(O[C@H](C)C(=O)NCc4ccccc4)cc3[C@H]2c2ccccc2)c1 ZINC000105023125 569851469 /nfs/dbraw/zinc/85/14/69/569851469.db2.gz DREKGJYPYNMQQH-NLGDKJDOSA-N 1 0 490.647 6.226 50 0 JKAARO Cc1ccccc1[C@H]1C[N@@H+](Cc2ccc(F)c(F)c2)C[C@H]1CN(C(=O)c1ccccc1)C(C)C ZINC000105041776 569851563 /nfs/dbraw/zinc/85/15/63/569851563.db2.gz ZILLPNFYGNAFRY-AHWVRZQESA-N 1 0 462.584 6.040 50 0 JKAARO COc1cc(C[N@H+]2C[C@@H](c3ccc(F)cc3)[C@@H](CN(CC(C)C)C(=O)c3ccccc3)C2)ccc1O ZINC000105042190 569851566 /nfs/dbraw/zinc/85/15/66/569851566.db2.gz GVYLDOMJLRWJFL-VPUSJEBWSA-N 1 0 490.619 5.554 50 0 JKAARO COc1cccc([C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2CN(CC(C)C)C(=O)c2ccc(F)cc2)c1 ZINC000105041738 569851581 /nfs/dbraw/zinc/85/15/81/569851581.db2.gz BJRHMOPPKLTLLP-KCWPFWIISA-N 1 0 480.649 5.910 50 0 JKAARO Cc1cc(C[N@H+]2C[C@@H](CN(C(=O)c3ccc(F)cc3)C(C)C)[C@@H](c3ccccc3C)C2)oc1C ZINC000105042028 569851594 /nfs/dbraw/zinc/85/15/94/569851594.db2.gz YZTWRCXSUHPZBH-CUBQBAPOSA-N 1 0 462.609 6.110 50 0 JKAARO COc1cccc(C[N@@H+]2C[C@@H](CN(C(=O)c3ccccc3)C3CCCCC3)[C@H](c3ccccc3C)C2)c1 ZINC000105041728 569851605 /nfs/dbraw/zinc/85/16/05/569851605.db2.gz BBKBBTKIUNGKKV-GMCHKSTQSA-N 1 0 496.695 6.694 50 0 JKAARO COc1ccccc1[C@H]1C[N@H+](Cc2cccc(C)n2)C[C@@H]1CN(CC(C)C)C(=O)c1ccccc1 ZINC000105042145 569851610 /nfs/dbraw/zinc/85/16/10/569851610.db2.gz HYBPGDRJOJZFDT-NAKRPHOHSA-N 1 0 471.645 5.413 50 0 JKAARO Cc1ccsc1C[N@@H+]1C[C@@H](CN(C(=O)c2ccccc2)C2CCCCC2)[C@@H](c2ccccc2C)C1 ZINC000105041721 569851670 /nfs/dbraw/zinc/85/16/70/569851670.db2.gz SJIURQUFXQNXTF-WNJJXGMVSA-N 1 0 486.725 7.056 50 0 JKAARO Cc1cc(C[N@H+]2C[C@@H](CN(CC(C)C)C(=O)c3ccccc3)[C@@H](c3ccc(F)cc3)C2)oc1C ZINC000105042180 569851688 /nfs/dbraw/zinc/85/16/88/569851688.db2.gz FJOVDSHYEBCOSH-LBNVMWSVSA-N 1 0 462.609 6.050 50 0 JKAARO COc1cc(C[N@@H+]2C[C@@H](CN(Cc3ccc(F)cc3)C(C)=O)[C@H](c3ccc(C)cc3)C2)cc(OC)c1 ZINC000105042713 569851828 /nfs/dbraw/zinc/85/18/28/569851828.db2.gz PKLOIWUEXNKRKI-YZNIXAGQSA-N 1 0 490.619 5.416 50 0 JKAARO COc1ccc([C@H]2C[N@H+](Cc3cc(C)c(C)o3)C[C@@H]2CN(Cc2ccc(F)cc2)C(C)=O)cc1 ZINC000105042295 569851834 /nfs/dbraw/zinc/85/18/34/569851834.db2.gz VTRYEKFMEUKFQE-UFHPHHKVSA-N 1 0 464.581 5.308 50 0 JKAARO Fc1ccccc1C1=NN2[C@@H](C1)c1ccccc1OC21CC[NH+]([C@@H]2CCCc3ccccc32)CC1 ZINC000051329983 569851937 /nfs/dbraw/zinc/85/19/37/569851937.db2.gz FUFWQEOWCIULRS-IZLXSDGUSA-N 1 0 467.588 6.239 50 0 JKAARO CC[C@H](C)c1ccc([C@H]([NH2+][C@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)C(C)C)cc1 ZINC000105552308 569853162 /nfs/dbraw/zinc/85/31/62/569853162.db2.gz KODSPKSHKBVYGU-WZOHSFFVSA-N 1 0 462.638 5.312 50 0 JKAARO Fc1ccccc1C1=NN2[C@H](C1)c1ccccc1OC21CC[NH+]([C@@H]2CCCc3ccccc32)CC1 ZINC000105972756 569853565 /nfs/dbraw/zinc/85/35/65/569853565.db2.gz FUFWQEOWCIULRS-VSGBNLITSA-N 1 0 467.588 6.239 50 0 JKAARO FC(F)(F)c1ccccc1C[NH2+][C@H]1C2CCN(CC2)[C@@H]1C(c1ccccc1)c1ccccc1 ZINC000111448344 569860905 /nfs/dbraw/zinc/86/09/05/569860905.db2.gz SJOKZBTYGQAZNH-RRPNLBNLSA-N 1 0 450.548 6.090 50 0 JKAARO FC(F)(F)c1ccccc1C[NH2+][C@@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1 ZINC000111448342 569860912 /nfs/dbraw/zinc/86/09/12/569860912.db2.gz SJOKZBTYGQAZNH-SXOMAYOGSA-N 1 0 450.548 6.090 50 0 JKAARO O=[N+]1c2ccccc2N(O)[C@@H](CSc2nc3ccccc3[nH]2)[C@@H]1CSc1nc2ccccc2[nH]1 ZINC000140787523 569867428 /nfs/dbraw/zinc/86/74/28/569867428.db2.gz RLKVZDXJNCDWMU-VXKWHMMOSA-N 1 0 489.606 5.381 50 0 JKAARO O=C(NC1CCCCC1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000169677371 569868601 /nfs/dbraw/zinc/86/86/01/569868601.db2.gz BCYNWSGEAWBBGC-NOZRDPDXSA-N 1 0 471.567 5.017 50 0 JKAARO CC[C@@H](C)[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C[C@@H](O)COC(C)(C)C ZINC000169677801 569868864 /nfs/dbraw/zinc/86/88/64/569868864.db2.gz KVAVRNVXBLSTPT-RCZVLFRGSA-N 1 0 479.665 6.058 50 0 JKAARO CC[C@@H](C)[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@@H](O)COC(C)C ZINC000169677836 569868870 /nfs/dbraw/zinc/86/88/70/569868870.db2.gz HZOWYFLPMBRRRR-NFBKMPQASA-N 1 0 469.601 5.499 50 0 JKAARO O=C(Nc1ccc(F)cc1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](CCc3ccccc3)C[C@@H]12 ZINC000169677729 569868884 /nfs/dbraw/zinc/86/88/84/569868884.db2.gz DPFNBUONIKTKMH-RSXGOPAZSA-N 1 0 497.536 5.389 50 0 JKAARO CCCCN1C(=O)c2ccccc2[C@H](C(=O)NCC[C@H]2CCC[N@@H+]2C)[C@@H]1c1cccc(Cl)c1 ZINC000169677798 569868945 /nfs/dbraw/zinc/86/89/45/569868945.db2.gz OIQJEPXUSCFJHB-ZODMCCGTSA-N 1 0 468.041 5.021 50 0 JKAARO CC[C@H](C)[N@@H+](Cc1c(-c2ccccc2)noc1N1CCCCC1)C[C@@H](O)COCc1ccccc1 ZINC000169678871 569869341 /nfs/dbraw/zinc/86/93/41/569869341.db2.gz WYYCHIWVOIVBSD-JYFHCDHNSA-N 1 0 477.649 5.510 50 0 JKAARO COc1cccc([C@@H]2C[N@H+](Cc3cccc(F)c3)C[C@@H]2CN(CC(C)C)C(=O)c2ccc(F)cc2)c1 ZINC000169679822 569869930 /nfs/dbraw/zinc/86/99/30/569869930.db2.gz GNOYEOYBGUZXFS-IRPSRAIASA-N 1 0 492.610 5.987 50 0 JKAARO COc1cccc([C@@H]2C[N@H+](Cc3ccccc3F)C[C@@H]2CN(CC(C)C)C(=O)c2ccc(F)cc2)c1 ZINC000169679805 569869951 /nfs/dbraw/zinc/86/99/51/569869951.db2.gz OYTMRPUISWKNIR-NAKRPHOHSA-N 1 0 492.610 5.987 50 0 JKAARO Cc1ccc(C[N@@H+]2C[C@H](CN3CCN(c4ccccc4)CC3)[C@@H](c3cccc(C(F)(F)F)c3)C2)o1 ZINC000169679908 569869969 /nfs/dbraw/zinc/86/99/69/569869969.db2.gz OQDYENVDNVDKFF-WNCULLNHSA-N 1 0 483.578 5.645 50 0 JKAARO CC[C@H](C)[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)C[C@@H](O)COC(C)C ZINC000169680065 569870021 /nfs/dbraw/zinc/87/00/21/569870021.db2.gz DBPOBSYOHWFBKQ-JTHBVZDNSA-N 1 0 481.637 5.274 50 0 JKAARO O[C@@H](COc1ccccc1)C[N@@H+](Cc1ccccc1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000169680048 569870053 /nfs/dbraw/zinc/87/00/53/569870053.db2.gz ZOVLEOYLRJQEPK-GGAORHGYSA-N 1 0 485.411 5.429 50 0 JKAARO CC[C@H](C)[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C[C@@H](O)COCC(C)C ZINC000169680008 569870059 /nfs/dbraw/zinc/87/00/59/569870059.db2.gz UFVXQFREMLIJOW-SQJMNOBHSA-N 1 0 483.628 5.746 50 0 JKAARO CC[C@@H](C)[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)C[C@@H](O)COC(C)C ZINC000169680015 569870097 /nfs/dbraw/zinc/87/00/97/569870097.db2.gz QZNCKAWIYKWUHU-ISKFKSNPSA-N 1 0 465.638 5.574 50 0 JKAARO CC[C@@H](C)[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)C[C@@H](O)COC(C)C ZINC000169680064 569870142 /nfs/dbraw/zinc/87/01/42/569870142.db2.gz DBPOBSYOHWFBKQ-FYYLOGMGSA-N 1 0 481.637 5.274 50 0 JKAARO CC[C@H](C)[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C[C@@H](O)COC(C)C ZINC000169680304 569870285 /nfs/dbraw/zinc/87/02/85/569870285.db2.gz WWYBGCOBSRODMY-WMZHIEFXSA-N 1 0 487.591 5.638 50 0 JKAARO CC[C@@H](C)[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C[C@@H](O)COC(C)C ZINC000169680303 569870343 /nfs/dbraw/zinc/87/03/43/569870343.db2.gz WWYBGCOBSRODMY-AUSIDOKSSA-N 1 0 487.591 5.638 50 0 JKAARO Cc1ccc(OC[C@H]2c3ccsc3CCN2C(=O)C[N@@H+](C[C@@H](O)c2ccccc2)C(C)C)cc1 ZINC000169680397 569870499 /nfs/dbraw/zinc/87/04/99/569870499.db2.gz FTHUOKLLJSABJL-IZZNHLLZSA-N 1 0 478.658 5.005 50 0 JKAARO CC[C@H](C)[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C[C@@H](O)COC(C)(C)C ZINC000169680606 569870561 /nfs/dbraw/zinc/87/05/61/569870561.db2.gz NHZSDIKWFHMHAA-GBXCKJPGSA-N 1 0 483.628 5.889 50 0 JKAARO CCCCCCC(=O)N1CCN(C(=O)CC[N@@H+]2CCc3sccc3[C@H]2c2ccccc2C)C[C@@H]1C ZINC000169680768 569870590 /nfs/dbraw/zinc/87/05/90/569870590.db2.gz UIQNIYLUCHZNAC-MUAVYFROSA-N 1 0 495.733 5.424 50 0 JKAARO CC[C@H](C)[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C[C@@H](O)Cc1ccccc1 ZINC000169680962 569870706 /nfs/dbraw/zinc/87/07/06/569870706.db2.gz TXMMEXQAGLJBND-HOFKKMOUSA-N 1 0 499.655 6.186 50 0 JKAARO CC[C@H](C)[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)C[C@@H](O)Cc1ccccc1 ZINC000169681988 569871030 /nfs/dbraw/zinc/87/10/30/569871030.db2.gz CJHGTQUQRFRYBS-OZXSUGGESA-N 1 0 499.655 6.092 50 0 JKAARO C[C@@]12C(=O)[C@@H]([C@H](c3ccccc3)N[C@@H]1c1ccccc1)[C@@H](c1ccccc1)[NH2+][C@H]2c1ccccc1 ZINC000208126751 569874827 /nfs/dbraw/zinc/87/48/27/569874827.db2.gz CRZYYNZUSNTEQP-VNZKNNONSA-N 1 0 458.605 6.350 50 0 JKAARO COc1ccc(C[N@H+]2C[C@@H](c3ccc(OC)cc3)[C@@H](CN(Cc3ccc(F)cc3)C(C)=O)C2)cc1 ZINC000225076181 569973508 /nfs/dbraw/zinc/97/35/08/569973508.db2.gz KLKMGKMLPXUKOM-IRPSRAIASA-N 1 0 476.592 5.107 50 0 JKAARO S=c1n(CN2CCC[C@H]3CCCC[C@H]32)nc(-c2ccccc2)n1Cc1ccc2c(c1)OCO2 ZINC000229999397 570043380 /nfs/dbraw/zinc/04/33/80/570043380.db2.gz SZCSMJCCQBHWHP-IFMALSPDSA-N 1 0 462.619 5.470 50 0 JKAARO O[C@@H](Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21)C[N@H+](Cc1ccccc1)[C@H]1CCCC[C@@H]1O ZINC000239173862 570049181 /nfs/dbraw/zinc/04/91/81/570049181.db2.gz OVNOSJCTSBMTDI-WWEDSPNTSA-N 1 0 497.466 6.268 50 0 JKAARO CN(C(=O)c1ccc(Cl)cc1)[C@H]1CC[C@H](c2ccc(OCC[C@H]3CCCC[N@@H+]3C)cc2)CC1 ZINC000241961267 570053484 /nfs/dbraw/zinc/05/34/84/570053484.db2.gz UQUPHQTUZODOGA-LPPUWEFUSA-N 1 0 469.069 6.392 50 0 JKAARO CN(C(=O)c1ccc(Cl)cc1)[C@H]1CC[C@H](c2ccc(OCC[C@@H]3CCCC[N@@H+]3C)cc2)CC1 ZINC000241961268 570053526 /nfs/dbraw/zinc/05/35/26/570053526.db2.gz UQUPHQTUZODOGA-MZBJOSPHSA-N 1 0 469.069 6.392 50 0 JKAARO CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)[C@H]1c1cccs1 ZINC000245228543 570055461 /nfs/dbraw/zinc/05/54/61/570055461.db2.gz JZXJENSQODVAJC-YTFNCPKPSA-N 1 0 481.706 5.169 50 0 JKAARO CCc1cc2c(cc3n2C[C@@](C)(C(=O)NC2CCCCC2)N(CCC[N@@H+]2CCCC[C@H]2C)C3=O)s1 ZINC000245237315 570057237 /nfs/dbraw/zinc/05/72/37/570057237.db2.gz YXSDNEDKHWKLFG-NGOKVRLYSA-N 1 0 498.737 5.193 50 0 JKAARO CC[C@@H]1CCCC[N@@H+]1CCCN1C(=O)c2cc3sccc3n2C[C@]1(C)C(=O)NC1CCCCCC1 ZINC000245241272 570058425 /nfs/dbraw/zinc/05/84/25/570058425.db2.gz ZTUJHODJTRLSFY-SKCUWOTOSA-N 1 0 498.737 5.411 50 0 JKAARO Cc1oc(-c2cccc(Cl)c2)nc1C[N@@H+]1CCC[C@H](C(=O)N[C@H]2CCCc3ccccc32)C1 ZINC000245257736 570060712 /nfs/dbraw/zinc/06/07/12/570060712.db2.gz DURNCYDAOVCTLP-URXFXBBRSA-N 1 0 464.009 5.709 50 0 JKAARO COc1cc(C[N@@H+]2C[C@H](C(=O)N[C@H](C)c3ccccc3)C[C@@H](c3ccc(F)c(C)c3)C2)cc(OC)c1 ZINC000245279546 570061473 /nfs/dbraw/zinc/06/14/73/570061473.db2.gz HVCVFPRPDMCTRX-LPPUWEFUSA-N 1 0 490.619 5.634 50 0 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C[C@@H](c1ccccc1)N(Cc1nc(C(=O)NC[C@H]2CCCO2)co1)Cc1ccc(C(C)(C)C)cc1 ZINC000245329979 570066501 /nfs/dbraw/zinc/06/65/01/570066501.db2.gz VZANPVKPPBWVTL-SQJMNOBHSA-N 1 0 475.633 5.644 50 0 JKAARO COc1cccc([C@@H]2C[N@H+](Cc3ccc[nH]3)C[C@H]2CN(CC(C)C)C(=O)c2ccc(F)cc2)c1 ZINC000245330139 570066529 /nfs/dbraw/zinc/06/65/29/570066529.db2.gz XOVCGJQEXIUTHS-HOFKKMOUSA-N 1 0 463.597 5.176 50 0 JKAARO C[NH+](C)CC1=C(c2ccccc2)N(Nc2ccccc2)C[C@@H](C(=O)c2ccccc2)[C@H]1c1ccccc1 ZINC000245380615 570067527 /nfs/dbraw/zinc/06/75/27/570067527.db2.gz COEQIRLCQCRSGI-JSOSNVBQSA-N 1 0 487.647 6.585 50 0 JKAARO COc1cccc([C@H]2C[N@H+](Cc3cccc(C)c3)C[C@H]2CN(CC(C)C)C(=O)c2ccc(F)cc2)c1 ZINC000247884860 570070633 /nfs/dbraw/zinc/07/06/33/570070633.db2.gz SLUROFLKXDYWOD-BHBYDHKZSA-N 1 0 488.647 6.157 50 0 JKAARO CC(C)N(C[C@@H]1C[N@H+](Cc2cccc(F)c2)C[C@H]1c1ccc(F)cc1)C(=O)c1ccc(F)cc1 ZINC000247966425 570071884 /nfs/dbraw/zinc/07/18/84/570071884.db2.gz BTRKLAUCLBCPNJ-HOFKKMOUSA-N 1 0 466.547 5.870 50 0 JKAARO Cc1ccc(OC[C@@H](O)CN2CCn3c4ccc(C5CCCCC5)cc4c4c3[C@H]2CCC4)cc1 ZINC000248000859 570072488 /nfs/dbraw/zinc/07/24/88/570072488.db2.gz DBPRTXMMIJEAHQ-PWUYWRBVSA-N 1 0 458.646 6.130 50 0 JKAARO COc1ccc([C@H]2C[N@H+](Cc3ccc(C)s3)C[C@H]2CN(Cc2ccc(F)cc2)C(C)=O)cc1 ZINC000248080187 570073612 /nfs/dbraw/zinc/07/36/12/570073612.db2.gz IPFPRJRUGNFKEG-WNCULLNHSA-N 1 0 466.622 5.469 50 0 JKAARO Cc1ccccc1[C@@H]1C[N@@H+](Cc2ccccc2F)C[C@H]1CN(C(=O)c1ccc(F)cc1)C(C)C ZINC000248090929 570073700 /nfs/dbraw/zinc/07/37/00/570073700.db2.gz MJQANANUZJIAJD-RPLLCQBOSA-N 1 0 462.584 6.040 50 0 JKAARO COc1cccc([C@H]2C[N@H+](Cc3ccc(C)cc3)C[C@H]2CN(Cc2ccccc2)C(=O)C2CCCC2)c1 ZINC000248130900 570075012 /nfs/dbraw/zinc/07/50/12/570075012.db2.gz YPZOZTHPMMIFSS-XDFJSJKPSA-N 1 0 496.695 6.438 50 0 JKAARO COc1cccc([C@@H]2C[N@H+](Cc3cccc(F)c3)C[C@H]2CN(CC(C)C)C(=O)c2ccc(F)cc2)c1 ZINC000248216749 570076294 /nfs/dbraw/zinc/07/62/94/570076294.db2.gz GNOYEOYBGUZXFS-SVEHJYQDSA-N 1 0 492.610 5.987 50 0 JKAARO COc1cccc([C@@H]2C[N@H+](Cc3cccs3)C[C@H]2CN(CC(C)C)C(=O)c2ccc(F)cc2)c1 ZINC000248206862 570076350 /nfs/dbraw/zinc/07/63/50/570076350.db2.gz BJRHMOPPKLTLLP-HOFKKMOUSA-N 1 0 480.649 5.910 50 0 JKAARO COc1cccc([C@@H]2C[N@H+](Cc3ccc(F)c(F)c3)C[C@H]2CN(CC(C)C)C(=O)C(C)C)c1 ZINC000248245859 570076586 /nfs/dbraw/zinc/07/65/86/570076586.db2.gz LWLHMMLMCJRQTI-UPVQGACJSA-N 1 0 458.593 5.330 50 0 JKAARO C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](OC(=O)CC[N@@H+]5CCCC(C)(C)C5)CC[C@@]43C)[C@H]1CCC2=O ZINC000252441509 570080600 /nfs/dbraw/zinc/08/06/00/570080600.db2.gz ZRQKIWOCYULNCN-GXNNKDHRSA-N 1 0 455.683 5.942 50 0 JKAARO Cc1c(NC2CC(C)(C)[NH2+]C(C)(C)C2)c(=Nc2nc3ccccc3s2)onc1C(F)(F)F ZINC000252598782 570084801 /nfs/dbraw/zinc/08/48/01/570084801.db2.gz DDXZOYSEGUCAEP-UHFFFAOYSA-N 1 0 465.545 5.565 50 0 JKAARO CC(C)c1ccc2nc(-c3ccncc3)cc(C(=O)N(C)C[C@@H]3CCC[N@@H+]4CCCC[C@H]34)c2c1 ZINC000253413536 570098225 /nfs/dbraw/zinc/09/82/25/570098225.db2.gz VAXLQYZJRKXOAC-NEKDWFFYSA-N 1 0 456.634 5.757 50 0 biogenic JKAARO CC(=O)[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 ZINC000253499171 570100878 /nfs/dbraw/zinc/10/08/78/570100878.db2.gz CYXPZJSOSYXEMC-FPRLQLDMSA-N 1 0 455.683 5.942 50 0 biogenic JKAARO CC(=O)[C@@H]1[C@@H](C)C[C@@H]2[C@H]3CC=C4C[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 ZINC000253505761 570102676 /nfs/dbraw/zinc/10/26/76/570102676.db2.gz LLKWFOGYGSHBRH-PTYOSXFTSA-N 1 0 497.764 6.680 50 0 biogenic JKAARO CN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)c1nc(-n2cccc2)sc1CCc1ccccc1 ZINC000263585756 570171386 /nfs/dbraw/zinc/17/13/86/570171386.db2.gz MCGSDYVLVJDIDT-XZOQPEGZSA-N 1 0 462.663 5.056 50 0 biogenic JKAARO Cc1cccc(Cn2c3cc(C)ccc3cc(C[NH+]3CCN(c4ccccc4F)CC3)c2=O)c1 ZINC000299795651 570177194 /nfs/dbraw/zinc/17/71/94/570177194.db2.gz MFLWGJSJUYBNQQ-UHFFFAOYSA-N 1 0 455.577 5.128 50 0 JKAARO O=C(c1ccccc1)[C@@H]1[C@H](c2cccc([N+](=O)[O-])c2)[C@H]2CCCN2[C@]12C(=O)Nc1ccc(Cl)cc12 ZINC000390826135 570185381 /nfs/dbraw/zinc/18/53/81/570185381.db2.gz CPCVLAVLDOABTR-INADMSBESA-N 1 0 487.943 5.157 50 0 JKAARO CN(C)C(=O)C(CC[NH+]1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 ZINC000000537928 193858041 /nfs/dbraw/zinc/85/80/41/193858041.db2.gz RDOIQAHITMMDAJ-UHFFFAOYSA-N 1 0 477.048 5.088 50 0 fda JKAARO O=C(OC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1nn2c(nc(-c3ccco3)cc2C(F)(F)F)c1Cl ZINC000001073197 194016788 /nfs/dbraw/zinc/01/67/88/194016788.db2.gz ISTQUAPICYMORV-ZFWWWQNUSA-N 1 0 482.890 5.083 50 0 JKAARO CCOc1ccc(N2C(=O)C3=C(C(c4ccc(Cl)cc4)=[NH+]CCN3)[C@@H]2c2ccccc2F)cc1 ZINC000001404934 194115447 /nfs/dbraw/zinc/11/54/47/194115447.db2.gz CAIXLRXOUPEMTL-SANMLTNESA-N 1 0 475.951 5.312 50 0 JKAARO CCOc1ccc(N2C(=O)C3=C(C(c4ccc(Cl)cc4)=[NH+]CCN3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000001404953 194115712 /nfs/dbraw/zinc/11/57/12/194115712.db2.gz ZGUFNQXQGYFNGV-HHHXNRCGSA-N 1 0 487.987 5.182 50 0 JKAARO O=S(=O)(C[n+]1sc(N(c2ccccc2)c2ccccc2)nc1-c1ccccc1)c1ccccc1 ZINC000001836692 194149000 /nfs/dbraw/zinc/14/90/00/194149000.db2.gz DPFAHCROEDVYQS-UHFFFAOYSA-N 1 0 484.626 5.999 50 0 JKAARO Cc1ccc(-c2nnc(N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c3ccccc32)cc1 ZINC000001895103 194153376 /nfs/dbraw/zinc/15/33/76/194153376.db2.gz KIPIVLIPZMFAPI-UHFFFAOYSA-N 1 0 470.620 6.517 50 0 JKAARO O=c1c2sc3ccccc3c2nc(SCc2ccccc2Cl)n1CCC[NH+]1CCCC1 ZINC000002961997 194182236 /nfs/dbraw/zinc/18/22/36/194182236.db2.gz SWUBOHDEJIXFIK-UHFFFAOYSA-N 1 0 470.063 6.043 50 0 JKAARO O[C@H](Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21)C[NH+](C1CCCCC1)C1CCCCC1 ZINC000002968249 194186332 /nfs/dbraw/zinc/18/63/32/194186332.db2.gz SONAJUSNYFELMA-QHCPKHFHSA-N 1 0 473.488 7.430 50 0 JKAARO CCn1cc(CN(CCC[NH+](CC)CC)C(=S)Nc2cc(C)ccc2C)c2ccccc21 ZINC000003029523 194212385 /nfs/dbraw/zinc/21/23/85/194212385.db2.gz RSGHUZHQFBYHDN-UHFFFAOYSA-N 1 0 450.696 6.209 50 0 JKAARO CCn1cc(CN(CCC[NH+](CC)CC)C(=S)Nc2cc(Cl)cc(Cl)c2)c2ccccc21 ZINC000003029360 194212438 /nfs/dbraw/zinc/21/24/38/194212438.db2.gz JLEYULZEYTZDQH-UHFFFAOYSA-N 1 0 491.532 6.899 50 0 JKAARO C[N@H+](CCNC(=O)c1cc(Sc2ccc(Cl)cc2)nc2ccccc21)Cc1ccccc1 ZINC000003040003 194214973 /nfs/dbraw/zinc/21/49/73/194214973.db2.gz OBUVYLOPUSMIKA-UHFFFAOYSA-N 1 0 462.018 5.901 50 0 JKAARO CC[NH+](CC)CCNC(=O)c1ccc2c(c1)N(Cc1ccc(C)cc1)C(=O)c1ccccc1S2 ZINC000003040151 194215032 /nfs/dbraw/zinc/21/50/32/194215032.db2.gz ZNOMRLQOWVUDQN-UHFFFAOYSA-N 1 0 473.642 5.378 50 0 JKAARO CCCC[NH+](CCCC)CCNC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1)S2 ZINC000003064088 194223198 /nfs/dbraw/zinc/22/31/98/194223198.db2.gz AKDMQGOMHOJGRP-MOHJPFBDSA-N 1 0 451.636 5.404 50 0 JKAARO Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)N[C@@H](C)[C@@H](c3cccs3)[NH+]3CCCC3)cc12 ZINC000003265087 194256337 /nfs/dbraw/zinc/25/63/37/194256337.db2.gz MOBKIYYHKOUDGL-AOMKIAJQSA-N 1 0 485.078 6.066 50 0 JKAARO CC[C@@H]1CSc2n1cc(-c1cc(C)n(CCc3ccc(OC)cc3)c1C)[n+]2-c1ccccc1C ZINC000003289576 194266370 /nfs/dbraw/zinc/26/63/70/194266370.db2.gz CBUXOHJBOFHJOK-XMMPIXPASA-N 1 0 472.678 6.467 50 0 JKAARO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1cc(-c2cccs2)nn1-c1ccccc1 ZINC000003290686 194266875 /nfs/dbraw/zinc/26/68/75/194266875.db2.gz AKPAWXJXNPGUPT-UHFFFAOYSA-N 1 0 484.629 5.545 50 0 JKAARO CCOC(=O)c1c(NC(=O)[C@@H]([NH2+]C2CCCCC2)c2ccccc2)sc2c1CC[C@@H](C)C2 ZINC000003342454 194291316 /nfs/dbraw/zinc/29/13/16/194291316.db2.gz ITQYRERCWZDIJZ-HXOBKFHXSA-N 1 0 454.636 5.652 50 0 JKAARO O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000003432871 194322929 /nfs/dbraw/zinc/32/29/29/194322929.db2.gz UWZUJVOIOCZBQO-SAPNQHFASA-N 1 0 486.635 5.997 50 0 JKAARO Cc1ccc(C)c(CN2C(=O)CSc3ccc(C(=O)NCCC[NH+]4C[C@H](C)C[C@@H](C)C4)cc32)c1 ZINC000003638747 194346644 /nfs/dbraw/zinc/34/66/44/194346644.db2.gz SRGVXIRHHHMDMP-NHCUHLMSSA-N 1 0 479.690 5.040 50 0 JKAARO COc1ccccc1Nc1c2cc(NC(=O)/C=C/c3sccc3C)ccc2[nH+]c2c1CCCC2 ZINC000003654700 194351631 /nfs/dbraw/zinc/35/16/31/194351631.db2.gz YAULTEBRFDKESE-BUHFOSPRSA-N 1 0 469.610 6.888 50 0 JKAARO COc1ccc(Nc2c3cc(NC(=O)/C=C/c4ccco4)ccc3[nH+]c3c2CCCC3)cc1OC ZINC000003654714 194351646 /nfs/dbraw/zinc/35/16/46/194351646.db2.gz AMFQWFGAUXYBLQ-SDNWHVSQSA-N 1 0 469.541 6.119 50 0 JKAARO CCCCOc1ccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCC[NH+](C)C)cc1OC ZINC000003655669 194352308 /nfs/dbraw/zinc/35/23/08/194352308.db2.gz CPLDQJHNIBRWLU-SANMLTNESA-N 1 0 492.616 5.094 50 0 JKAARO Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1cccc(OCCC(C)C)c1)N(CCC[NH+](C)C)C3=O ZINC000003655674 194352388 /nfs/dbraw/zinc/35/23/88/194352388.db2.gz XSQGYNHZXMHTHU-SANMLTNESA-N 1 0 476.617 5.332 50 0 JKAARO CCCOc1ccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCC[NH+](C)C)cc1OCC ZINC000003655675 194352602 /nfs/dbraw/zinc/35/26/02/194352602.db2.gz PKNPZXZGNZRXFK-SANMLTNESA-N 1 0 492.616 5.094 50 0 JKAARO COc1ccc(C2=C(C[NH+]3CCCCC3)[C@@H](Cc3ccccc3)c3ccccc3O2)cc1OC ZINC000003771944 194361412 /nfs/dbraw/zinc/36/14/12/194361412.db2.gz YNBXELIPHXQOHQ-VWLOTQADSA-N 1 0 455.598 6.320 50 0 JKAARO CC(C)(C)c1ccc([C@@H](O)CCC[NH+]2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000003812892 194361693 /nfs/dbraw/zinc/36/16/93/194361693.db2.gz GUGOEEXESWIERI-PMERELPUSA-N 1 0 471.685 6.446 50 0 world JKAARO CC[NH+](CC)CCC[C@H](C)Nc1cc(/C=C/c2ccccc2Cl)nc2cc(Cl)ccc21 ZINC000003882239 194366690 /nfs/dbraw/zinc/36/66/90/194366690.db2.gz CMLVHSVFSYNMGM-XUDAUXSOSA-N 1 0 456.461 7.634 50 0 in-man JKAARO COc1cc2c(cc1OCCC[NH+]1CCCC1)ncnc2Oc1ccc2[nH]c(C)cc2c1F ZINC000003948085 194366927 /nfs/dbraw/zinc/36/69/27/194366927.db2.gz XXJWYDDUDKYVKI-UHFFFAOYSA-N 1 0 450.514 5.224 50 0 investigational JKAARO O=c1[nH]c2ccccc2n1C1CC[NH+](CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000004175630 194382787 /nfs/dbraw/zinc/38/27/87/194382787.db2.gz YVUQSNJEYSNKRX-UHFFFAOYSA-N 1 0 461.556 6.269 50 0 fda JKAARO COc1cc(C[NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)cc(Cl)c1OCC(=O)NC(C)(C)C ZINC000004489429 194391149 /nfs/dbraw/zinc/39/11/49/194391149.db2.gz VDEMCWLXJPGNDN-WNPZUFKQSA-N 1 0 463.062 5.481 50 0 JKAARO CCOc1ccc(-c2cn3c4ccc(C(=O)NCCC[NH+]5CCCCC5)cc4sc3n2)cc1 ZINC000008588645 194457958 /nfs/dbraw/zinc/45/79/58/194457958.db2.gz FYCCIVCLXIUOIJ-UHFFFAOYSA-N 1 0 462.619 5.221 50 0 JKAARO COc1ccc(NC(=O)C2CC[NH+](Cc3c4ccccc4n(C)c3-c3ccc(Cl)cc3)CC2)cc1 ZINC000009096431 194528329 /nfs/dbraw/zinc/52/83/29/194528329.db2.gz LIYBHRMRMHPGMT-UHFFFAOYSA-N 1 0 488.031 6.358 50 0 JKAARO CCOC(=O)c1c(C)n(C)c2ccc(OC)c(NC(=O)C[NH+](C3CCCCC3)C3CCCCC3)c21 ZINC000009233940 194619850 /nfs/dbraw/zinc/61/98/50/194619850.db2.gz GEDBXRWJEZQUKK-UHFFFAOYSA-N 1 0 483.653 5.578 50 0 JKAARO CCC[NH+](CCC)CCCNC(=O)[C@H]1c2ccccc2C(=O)N(CC(C)C)[C@H]1c1cccs1 ZINC000009433066 194778776 /nfs/dbraw/zinc/77/87/76/194778776.db2.gz DFMQXUNYLAWZKP-DQEYMECFSA-N 1 0 469.695 5.313 50 0 JKAARO CCOc1ccc(-c2cn3c4ccc(C(=O)NCCC[N@H+]5C[C@H](C)C[C@H](C)C5)cc4sc3n2)cc1 ZINC000009406635 194747173 /nfs/dbraw/zinc/74/71/73/194747173.db2.gz AJDVGMWBTYSPEP-BGYRXZFFSA-N 1 0 490.673 5.713 50 0 JKAARO CCCC1=Nc2cc(C(=O)NCCC[NH+](CC(C)C)CC(C)C)ccc2Sc2ccccc21 ZINC000009608000 194809813 /nfs/dbraw/zinc/80/98/13/194809813.db2.gz FGRBUUUMCZWSRP-UHFFFAOYSA-N 1 0 465.707 6.806 50 0 JKAARO COc1ccc(C[NH+]2CCC(C(=O)N(CCc3ccccc3)Cc3ccccc3)CC2)cc1OC ZINC000009659861 194854920 /nfs/dbraw/zinc/85/49/20/194854920.db2.gz DFFMKOZDOTUIJX-UHFFFAOYSA-N 1 0 472.629 5.187 50 0 JKAARO CC(C)C[NH+](CCNC(=O)c1cc(Nc2ccc(C(C)C)cc2)nc2ccccc21)CC(C)C ZINC000009680891 194888242 /nfs/dbraw/zinc/88/82/42/194888242.db2.gz FLNHYLBFTKLELS-UHFFFAOYSA-N 1 0 460.666 6.446 50 0 JKAARO Cc1ccc(NC(=O)CSc2ccccc2C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000009766892 194951233 /nfs/dbraw/zinc/95/12/33/194951233.db2.gz QPGWCVBEAKJPHW-JOCHJYFZSA-N 1 0 479.671 5.354 50 0 JKAARO CCOc1ccc2nc(N3CCC(C(=O)Nc4ccc(C[NH+]5CCC(C)CC5)cc4)CC3)sc2c1 ZINC000009848041 194992267 /nfs/dbraw/zinc/99/22/67/194992267.db2.gz ZBEKXVFQXNNKRC-UHFFFAOYSA-N 1 0 492.689 5.782 50 0 JKAARO COc1cc(C(=O)NC2CC[NH+](C(C)C)CC2)ccc1OCc1ccc(Cl)cc1Cl ZINC000009884885 195014179 /nfs/dbraw/zinc/01/41/79/195014179.db2.gz IGEGEXITIIOHTE-UHFFFAOYSA-N 1 0 451.394 5.184 50 0 JKAARO CCn1c(C[NH+]2CCCCCC2)nc2cc(NC(=O)COc3ccc(Cl)c(C)c3)ccc21 ZINC000009942166 195029763 /nfs/dbraw/zinc/02/97/63/195029763.db2.gz OJMADDDPGLIVDN-UHFFFAOYSA-N 1 0 455.002 5.412 50 0 JKAARO Cc1ccc(CN2CCSc3ccc(C(=O)NC4CC[NH+](Cc5ccccc5)CC4)cc32)cc1 ZINC000009962490 195039738 /nfs/dbraw/zinc/03/97/38/195039738.db2.gz NRGYIMBCKDUBDA-UHFFFAOYSA-N 1 0 471.670 5.502 50 0 JKAARO O=C(NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCCCN1C(=O)c1cccs1 ZINC000012742069 195101068 /nfs/dbraw/zinc/10/10/68/195101068.db2.gz CTYZTOZRISAAJZ-SANMLTNESA-N 1 0 487.669 5.322 50 0 JKAARO COc1ccc(Br)cc1-c1nc(C[NH2+][C@H](C)c2cccc3ccccc32)cs1 ZINC000012787913 195129525 /nfs/dbraw/zinc/12/95/25/195129525.db2.gz QWUGTKPMJBKFGW-OAHLLOKOSA-N 1 0 453.405 6.585 50 0 JKAARO COc1ccc([C@@H](CNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2OC)[NH+]2CCCC2)cc1 ZINC000012803016 195140232 /nfs/dbraw/zinc/14/02/32/195140232.db2.gz SBXMVBRRKRJOQT-HHHXNRCGSA-N 1 0 496.611 5.123 50 0 JKAARO CC(=O)N(c1nc(/C=C/C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)cs1)c1ccccc1 ZINC000012805993 195141483 /nfs/dbraw/zinc/14/14/83/195141483.db2.gz CXPFMKPQCXRZTP-XXFRDUSWSA-N 1 0 495.048 5.448 50 0 JKAARO O=C(C[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccs1)Nc1ccccc1Br ZINC000012813495 195145552 /nfs/dbraw/zinc/14/55/52/195145552.db2.gz BNCYRMPITCFMPM-UHFFFAOYSA-N 1 0 467.392 5.092 50 0 JKAARO FC(F)(F)c1nc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)nc2c1CCCCC2 ZINC000012845917 195152163 /nfs/dbraw/zinc/15/21/63/195152163.db2.gz GSJGEEZVLVXEEK-UHFFFAOYSA-N 1 0 466.551 5.676 50 0 JKAARO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1cc(Sc2ccc(F)cc2F)nc2ccccc21 ZINC000020723537 195207074 /nfs/dbraw/zinc/20/70/74/195207074.db2.gz GWAOPSUFXJVBMM-IAGOWNOFSA-N 1 0 455.574 5.657 50 0 JKAARO O=C(CN1C(=O)/C(=C/c2cccc(Cl)c2)Sc2ccccc21)N1CC[NH+](C2CCCCC2)CC1 ZINC000020727109 195208120 /nfs/dbraw/zinc/20/81/20/195208120.db2.gz XOLKSSIVXYUHMT-BWAHOGKJSA-N 1 0 496.076 5.297 50 0 JKAARO CCCC[N@H+](C)CCNC(=O)CN1C(=O)/C(=C/c2ccc(C(F)(F)F)cc2)Sc2ccccc21 ZINC000020727625 195208239 /nfs/dbraw/zinc/20/82/39/195208239.db2.gz HKEICPNPYBZDIN-JWGURIENSA-N 1 0 491.579 5.033 50 0 JKAARO O=C(NCC[NH+]1CCC(Cc2ccccc2)CC1)c1ccc(/C=C2/Sc3ccccc3NC2=O)cc1 ZINC000020728747 195208961 /nfs/dbraw/zinc/20/89/61/195208961.db2.gz DAQCEEAYJFEHFT-SGWCAAJKSA-N 1 0 497.664 5.456 50 0 JKAARO CCCC[NH+](CCCC)CCNC(=O)c1ccc(/C=C2/Sc3ccccc3NC2=O)cc1 ZINC000020728782 195209003 /nfs/dbraw/zinc/20/90/03/195209003.db2.gz ZVKXHIOTDVSCRF-LYBHJNIJSA-N 1 0 451.636 5.404 50 0 JKAARO CC(=O)c1cccc(NC(=O)N(CCC[N@@H+](C)C2CCCCC2)Cc2cccn2C2CCCC2)c1 ZINC000020734470 195212086 /nfs/dbraw/zinc/21/20/86/195212086.db2.gz MCFYGONCSKVTLC-UHFFFAOYSA-N 1 0 478.681 6.495 50 0 JKAARO Cc1ccccc1NC(=S)N(CCC[N@@H+](C)C1CCCCC1)Cc1cccn1C1CCCC1 ZINC000020734482 195212112 /nfs/dbraw/zinc/21/21/12/195212112.db2.gz KBHPICSXAICDSO-UHFFFAOYSA-N 1 0 466.739 6.765 50 0 JKAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1cccc(Cl)c1)S2 ZINC000020735054 195212179 /nfs/dbraw/zinc/21/21/79/195212179.db2.gz NYYFKKDKJJPXRI-SITPEIFSSA-N 1 0 456.011 5.030 50 0 JKAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccc3c(c2)NC(=O)/C(=C\c2ccccc2Cl)S3)C1 ZINC000020735097 195212482 /nfs/dbraw/zinc/21/24/82/195212482.db2.gz MMAZGKGRPUFQTE-WWXVOHRASA-N 1 0 484.065 5.523 50 0 JKAARO Cc1cccc(/C=C2/Sc3ccc(C(=O)NCCC[N@@H+]4CCc5ccccc5C4)cc3N(C)C2=O)c1 ZINC000020737451 195213591 /nfs/dbraw/zinc/21/35/91/195213591.db2.gz PPQFSMLIBFPOBZ-MTDXEUNCSA-N 1 0 497.664 5.283 50 0 JKAARO COc1cc(Cl)c(C[N@@H+]2CCC[C@H](c3nc(C)ncc3-c3ccc(F)cc3)C2)cc1OC ZINC000020773928 195223684 /nfs/dbraw/zinc/22/36/84/195223684.db2.gz WVGDRLSCUGCVCM-SFHVURJKSA-N 1 0 455.961 5.641 50 0 JKAARO CCCC[N@H+](CC)CCCNC(=O)[C@H]1c2ccccc2C(=O)N(CC(C)C)[C@@H]1c1cccs1 ZINC000020904341 195244182 /nfs/dbraw/zinc/24/41/82/195244182.db2.gz RNJNAOFPFSUPLH-LOSJGSFVSA-N 1 0 469.695 5.313 50 0 JKAARO CCC[NH+](CCC)CCCNC(=O)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1 ZINC000020904456 195245035 /nfs/dbraw/zinc/24/50/35/195245035.db2.gz FCCZGVFSSAHWDO-CLJLJLNGSA-N 1 0 481.706 5.600 50 0 JKAARO c1ccc(-c2cnc(-c3ccncc3)nc2[C@H]2CCC[N@@H+](Cc3ccc4c(c3)OCO4)C2)cc1 ZINC000020910894 195245971 /nfs/dbraw/zinc/24/59/71/195245971.db2.gz VKAMDNMSJQALFN-QHCPKHFHSA-N 1 0 450.542 5.314 50 0 JKAARO COc1ccc2ccccc2c1C[NH+]1CCN(c2cccc3c2C(=O)N(Cc2ccsc2)C3=O)CC1 ZINC000020913350 195246243 /nfs/dbraw/zinc/24/62/43/195246243.db2.gz SJVAXRFIOFHJTE-UHFFFAOYSA-N 1 0 497.620 5.028 50 0 JKAARO COc1ccc(OC)c(-c2nc3cc(SC)ccc3cc2C[NH2+]CCc2nc3ccccc3[nH]2)c1 ZINC000020919926 195247370 /nfs/dbraw/zinc/24/73/70/195247370.db2.gz MVWIZHKATBMFOQ-UHFFFAOYSA-N 1 0 484.625 5.850 50 0 JKAARO CC[NH+]1CCC(N(Cc2ccc(OC)cc2)C(=O)Nc2ccc(Br)cc2F)CC1 ZINC000020922722 195248352 /nfs/dbraw/zinc/24/83/52/195248352.db2.gz OICCOZZTNFHORF-UHFFFAOYSA-N 1 0 464.379 5.115 50 0 JKAARO CCCC[N@H+](CC)CCN1C(=O)c2ccc(-c3ccco3)n2C[C@@]1(C)C(=O)NC1CCCCCCC1 ZINC000020920304 195247736 /nfs/dbraw/zinc/24/77/36/195247736.db2.gz MYSHMBHRRSVAHJ-LJAQVGFWSA-N 1 0 496.696 5.314 50 0 JKAARO Cc1ccc(-n2ncc(C(=O)Nc3cccc(Cl)c3Cl)c2C2CC[NH2+]CC2)cc1Cl ZINC000020941025 195255545 /nfs/dbraw/zinc/25/55/45/195255545.db2.gz BZZXFLPCPCMUGH-UHFFFAOYSA-N 1 0 463.796 5.860 50 0 JKAARO CCOCCC[N@H+](C)C1CCN(C(=O)c2oc3ccccc3c2NC(=O)/C=C/c2cccs2)CC1 ZINC000020942426 195255967 /nfs/dbraw/zinc/25/59/67/195255967.db2.gz XPDZRXXRWJZOTO-VAWYXSNFSA-N 1 0 495.645 5.109 50 0 JKAARO CC[N@@H+]1CCc2c(sc(-n3cccc3)c2CNC(=O)Nc2ccc(Br)c(C)c2)C1 ZINC000020927478 195249613 /nfs/dbraw/zinc/24/96/13/195249613.db2.gz OAIBQMBYLSMAKU-UHFFFAOYSA-N 1 0 473.440 5.309 50 0 JKAARO Cc1c(C[NH2+]CC2CC[NH+](Cc3ccccc3C)CC2)c(C(=O)[O-])c(C)n1Cc1cccc(F)c1 ZINC000021024368 195268770 /nfs/dbraw/zinc/26/87/70/195268770.db2.gz CFYVFKWBRRSDND-UHFFFAOYSA-N 1 0 477.624 5.301 50 0 JKAARO COc1ccc(-c2csc3ncnc(NCC4CC[NH+](Cc5ccc(F)cc5)CC4)c23)cc1 ZINC000021049179 195272251 /nfs/dbraw/zinc/27/22/51/195272251.db2.gz CALGFVSDWUNALV-UHFFFAOYSA-N 1 0 462.594 5.830 50 0 JKAARO Cc1ccc(Cn2c(C[NH+]3CCC(C(=O)NCc4cccc(Cl)c4)CC3)cc3ccccc32)cc1 ZINC000021116177 195278409 /nfs/dbraw/zinc/27/84/09/195278409.db2.gz AHPRQSGEYNVFLL-UHFFFAOYSA-N 1 0 486.059 6.180 50 0 JKAARO Cc1ccc(Cn2c(C[NH+]3CCC(C(=O)NCc4ccccc4)CC3)cc3ccccc32)cc1 ZINC000021116185 195278554 /nfs/dbraw/zinc/27/85/54/195278554.db2.gz CZUDRXURHDAKCR-UHFFFAOYSA-N 1 0 451.614 5.526 50 0 JKAARO CCOc1ccc(CNC(=O)C2CC[NH+](Cc3cc4ccccc4n3Cc3ccc(C)cc3)CC2)cc1 ZINC000021116345 195278749 /nfs/dbraw/zinc/27/87/49/195278749.db2.gz XZDGEIOKZGUSDG-UHFFFAOYSA-N 1 0 495.667 5.925 50 0 JKAARO Cc1ccc(Cn2c(C[NH+]3CCC(C(=O)N[C@@H]4CCCc5ccccc54)CC3)cc3ccccc32)cc1 ZINC000021116271 195278907 /nfs/dbraw/zinc/27/89/07/195278907.db2.gz JSSCKHZJDKNNSF-WJOKGBTCSA-N 1 0 491.679 6.404 50 0 JKAARO O[C@@](c1ccc(Br)cc1)([C@H](C[NH+]1CCOCC1)c1ccccc1)C1CCCCC1 ZINC000021523101 195303687 /nfs/dbraw/zinc/30/36/87/195303687.db2.gz MKCWNMODGUNHIW-RPBOFIJWSA-N 1 0 458.440 5.333 50 0 JKAARO CCCC[N@H+](CC)CCN1C(=O)c2cc3sc(CC)cc3n2C[C@@]1(C)C(=O)NC1CCCCC1 ZINC000021526066 195304933 /nfs/dbraw/zinc/30/49/33/195304933.db2.gz GAFAEVSIPHYJRN-MHZLTWQESA-N 1 0 486.726 5.051 50 0 JKAARO CC(C)C[NH+](CCCN1C(=O)c2cc3occc3n2C[C@]1(C)C(=O)NC1CCCCCC1)CC(C)C ZINC000021526708 195305146 /nfs/dbraw/zinc/30/51/46/195305146.db2.gz DEOGQDDIQHVEPC-GDLZYMKVSA-N 1 0 498.712 5.292 50 0 JKAARO COc1ccc(C(=O)Nc2ccc3[nH]c(C)c([C@@H](c4ccccn4)[NH+]4CCCCC4)c3c2)cc1 ZINC000021805896 195323712 /nfs/dbraw/zinc/32/37/12/195323712.db2.gz VHBGZKSUDXAZSJ-HHHXNRCGSA-N 1 0 454.574 5.708 50 0 JKAARO COc1ccc(C(=O)Nc2ccc3[nH]c(C)c([C@H](c4ccccn4)[NH+]4CCCCC4)c3c2)cc1 ZINC000021805893 195323763 /nfs/dbraw/zinc/32/37/63/195323763.db2.gz VHBGZKSUDXAZSJ-MHZLTWQESA-N 1 0 454.574 5.708 50 0 JKAARO O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2 ZINC000021915507 195332031 /nfs/dbraw/zinc/33/20/31/195332031.db2.gz CPGDOYRNBRRPEX-UHFFFAOYSA-N 1 0 482.628 5.762 50 0 JKAARO O=C(NCC1CC[NH+](Cc2ccccc2F)CC1)c1cc(-c2cccnc2)nc2ccccc21 ZINC000021934681 195336003 /nfs/dbraw/zinc/33/60/03/195336003.db2.gz QWRFJBRCXXVORE-UHFFFAOYSA-N 1 0 454.549 5.078 50 0 JKAARO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H](c2ccc(C(C)(C)C)cc2)C(C)C)c(=O)n(-c2ccccc2)n1C ZINC000057503165 195348613 /nfs/dbraw/zinc/34/86/13/195348613.db2.gz FWWQCXWXLHPWNX-YADARESESA-N 1 0 462.638 5.096 50 0 JKAARO Cc1cccc(-c2nnn3c2nc(N2CCC([NH+]4CCCCC4)CC2)c2cc(Cl)ccc23)c1 ZINC000057510447 195349798 /nfs/dbraw/zinc/34/97/98/195349798.db2.gz HDTZWNYEULZGKW-UHFFFAOYSA-N 1 0 461.013 5.361 50 0 JKAARO CC[C@H](C)c1ccc([C@H]([NH2+][C@@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)C(C)C)cc1 ZINC000057825584 195360771 /nfs/dbraw/zinc/36/07/71/195360771.db2.gz KODSPKSHKBVYGU-ZYLNGJIFSA-N 1 0 462.638 5.312 50 0 JKAARO O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000058080338 195364014 /nfs/dbraw/zinc/36/40/14/195364014.db2.gz KJAVBDXLJSNWLK-UHFFFAOYSA-N 1 0 451.998 5.620 50 0 JKAARO COc1cc(Cl)c(C)cc1NC(=O)c1ccccc1NC(=O)C[NH2+][C@@H](C)c1ccccc1 ZINC000058135390 195365353 /nfs/dbraw/zinc/36/53/53/195365353.db2.gz MMVXRLOGHRXDSV-KRWDZBQOSA-N 1 0 451.954 5.199 50 0 JKAARO CCCCOc1ccc([C@@](C)(O)[C@@H](C[NH+]2CCN(c3ccc(F)cc3)CC2)c2ccccc2)cc1 ZINC000058480186 195379915 /nfs/dbraw/zinc/37/99/15/195379915.db2.gz LYPBMNMXFVRGJH-XZWHSSHBSA-N 1 0 476.636 5.818 50 0 JKAARO CC1=CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH+]4CCN(c5ccc(Cl)c(Cl)c5)CC4)[C@H]3C=C12 ZINC000059415298 195399334 /nfs/dbraw/zinc/39/93/34/195399334.db2.gz MADVJTISXVRJQY-AAYSFUBESA-N 1 0 461.433 5.350 50 0 biogenic JKAARO CC(=O)[C@@]1(O)[C@H](C)C[C@@H]2[C@@H]3CC=C4C[C@H](OC(=O)CC[NH+]5CCCCC5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000253532697 195476870 /nfs/dbraw/zinc/47/68/70/195476870.db2.gz YFNPVWRSYRXVRN-QSOWTKJTSA-N 1 0 485.709 5.303 50 0 JKAARO COc1ccc([C@@H](CC(=O)NCC[NH+]2CCCC2)c2cn(Cc3ccccc3)c3ccccc23)cc1 ZINC000096276152 130013293 /nfs/dbraw/zinc/01/32/93/130013293.db2.gz UHMJDSFYZAZGJC-MUUNZHRXSA-N 1 0 481.640 5.432 50 0 JKAARO Cc1cccc(C[N@H+](C[C@H](Oc2ccc(F)c(F)c2)C(=O)Nc2ccccc2)C[C@@H]2CCCO2)c1 ZINC000096281485 130027685 /nfs/dbraw/zinc/02/76/85/130027685.db2.gz FKVFSQUXNBZVRO-IGKIAQTJSA-N 1 0 480.555 5.341 50 0 JKAARO Cc1cccc(C[N@H+](C[C@H](Oc2ccc(F)c(F)c2)C(=O)Nc2ccccc2)C[C@H]2CCCO2)c1 ZINC000096281486 130027730 /nfs/dbraw/zinc/02/77/30/130027730.db2.gz FKVFSQUXNBZVRO-SQHAQQRYSA-N 1 0 480.555 5.341 50 0 JKAARO Cc1cc(O[C@H](CC[NH+]2CCN(c3ccccc3Cl)CC2)c2ccccc2C)cc(C(C)C)c1 ZINC000096281667 130028132 /nfs/dbraw/zinc/02/81/32/130028132.db2.gz POOMJEPTVITUTN-SSEXGKCCSA-N 1 0 477.092 7.413 50 0 JKAARO Cc1ccc(Cl)c(O[C@H](CC[NH+]2CCN(c3ccccc3Cl)CC2)c2ccccc2C)c1 ZINC000096281670 130028522 /nfs/dbraw/zinc/02/85/22/130028522.db2.gz NWTAZMSARSFXHR-AREMUKBSSA-N 1 0 469.456 6.943 50 0 JKAARO Cc1[nH]c2ccc(OCc3ccccc3)cc2c(=O)c1C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000096300411 130053918 /nfs/dbraw/zinc/05/39/18/130053918.db2.gz CILOVUOQHOHBTK-UHFFFAOYSA-N 1 0 474.604 6.618 50 0 JKAARO Cc1c2cc3c(cc2oc(=O)c1CC(=O)NC[C@H]1CCC[N@@H+]2CCCC[C@H]12)occ3C(C)(C)C ZINC000096343544 130073544 /nfs/dbraw/zinc/07/35/44/130073544.db2.gz XZPWPQUJWAGMDW-WZONZLPQSA-N 1 0 464.606 5.068 50 0 JKAARO Brc1cnc(N2CC[NH+](C(c3ccccc3)(c3ccccc3)c3ccccc3)CC2)nc1 ZINC000020432289 518228255 /nfs/dbraw/zinc/22/82/55/518228255.db2.gz PYUQPBXMXDFSNO-UHFFFAOYSA-N 1 0 485.429 5.353 50 0 JKAARO CC(=O)c1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@@H+](C(C)C)C3)cc1 ZINC000016837187 518328359 /nfs/dbraw/zinc/32/83/59/518328359.db2.gz GPTYGYQMFLWTNA-UHFFFAOYSA-N 1 0 475.639 6.246 50 0 JKAARO C(=C1C=C(c2ccccc2)OC(c2ccccc2)=C1)c1cc(-c2ccccc2)cc(-c2ccccc2)[s+]1 ZINC000016158361 518374925 /nfs/dbraw/zinc/37/49/25/518374925.db2.gz VVSVERVZBLVLIR-UHFFFAOYSA-N 1 0 493.651 9.859 50 0 JKAARO C/C(=C\c1ccccc1)C[NH+]1CCC(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)CC1 ZINC000008983432 518444518 /nfs/dbraw/zinc/44/45/18/518444518.db2.gz OBOAMEZEMSQOAF-IMVLJIQESA-N 1 0 493.695 5.736 50 0 JKAARO C/C=C(\C)C[NH+]1CCC(O)(c2ccc3oc(C(=O)N(C)Cc4cccc5ncccc45)cc3c2)CC1 ZINC000014977211 518484151 /nfs/dbraw/zinc/48/41/51/518484151.db2.gz UWXWVSDUAVEYBI-IPBDZQFASA-N 1 0 483.612 5.503 50 0 JKAARO CC(C)(C)OC[C@@H](O)C[N@@H+](Cc1cccc(C(F)(F)F)c1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146150 518879483 /nfs/dbraw/zinc/87/94/83/518879483.db2.gz CNSZBAYEQWELNK-VXKWHMMOSA-N 1 0 482.518 5.016 50 0 JKAARO CC(C)(C)OC[C@@H](O)C[N@@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146003 518880088 /nfs/dbraw/zinc/88/00/88/518880088.db2.gz MHCBUJYEERBCBT-VXKWHMMOSA-N 1 0 465.421 5.165 50 0 JKAARO CC(C)(C)OC[C@@H](O)C[N@@H+](Cc1cccc(F)c1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000036146393 518880235 /nfs/dbraw/zinc/88/02/35/518880235.db2.gz FXPCGERLWDQDSG-PMACEKPBSA-N 1 0 483.411 5.304 50 0 JKAARO CC(C)[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@H](O)Cc1ccccc1 ZINC000036307562 519653122 /nfs/dbraw/zinc/65/31/22/519653122.db2.gz PTEGRSZNICCTQZ-RUZDIDTESA-N 1 0 473.592 5.833 50 0 JKAARO CC(C)[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@@H](O)c1ccccc1 ZINC000036307535 519653391 /nfs/dbraw/zinc/65/33/91/519653391.db2.gz OAQMJKYVAKRJOT-AREMUKBSSA-N 1 0 459.565 5.963 50 0 JKAARO CC(C)[N@H+](Cc1ccc(C(O)(c2cccc(F)c2)c2cccc(F)c2)o1)Cc1ccc(F)cc1 ZINC000036167739 519653856 /nfs/dbraw/zinc/65/38/56/519653856.db2.gz QLTVWTQSWAZTDL-UHFFFAOYSA-N 1 0 465.515 6.392 50 0 JKAARO CC(C)CCNC(=O)C1CC[NH+](Cc2cc3ccccc3n2Cc2cccc(Cl)c2)CC1 ZINC000046055618 519655715 /nfs/dbraw/zinc/65/57/15/519655715.db2.gz IMAACSJFAUSYPT-UHFFFAOYSA-N 1 0 452.042 5.717 50 0 JKAARO CC(C)[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccc(Cl)cc1)C(c1ccccc1)=N2 ZINC000020436191 519674132 /nfs/dbraw/zinc/67/41/32/519674132.db2.gz DMXAQWNUTZENDO-UHFFFAOYSA-N 1 0 455.027 5.114 50 0 JKAARO CC(=O)Nc1cc(C(=O)NCC[NH+](CC(C)C)CC(C)C)ccc1Sc1ccc(C)cc1 ZINC000008811913 519703426 /nfs/dbraw/zinc/70/34/26/519703426.db2.gz SVCZSHWXVUZWIT-UHFFFAOYSA-N 1 0 455.668 5.448 50 0 JKAARO CC(=O)Nc1ccc(-c2cc(C(=O)NCCC[N@@H+]3CCc4ccccc4C3)c3ccccc3n2)cc1 ZINC000021662900 519707966 /nfs/dbraw/zinc/70/79/66/519707966.db2.gz JCLQLTFMSDJHED-UHFFFAOYSA-N 1 0 478.596 5.038 50 0 JKAARO CC(=O)Nc1ccc(-c2cc(C(=O)NCCC[N@H+]3CCC[C@H](C)C3)c3cc(C)ccc3n2)cc1 ZINC000033106405 519708024 /nfs/dbraw/zinc/70/80/24/519708024.db2.gz NRNRUTRTBKCIBX-FQEVSTJZSA-N 1 0 458.606 5.020 50 0 JKAARO CC(=O)Nc1ccc(C[NH+]2CCC([C@H](Cc3ccccc3F)N(C)C(=O)c3cccs3)CC2)cc1 ZINC000012244618 519715734 /nfs/dbraw/zinc/71/57/34/519715734.db2.gz SIHMNFOFDMLVNX-SANMLTNESA-N 1 0 493.648 5.441 50 0 JKAARO CC(=O)Nc1ccc(C[NH+]2CCC([C@@H](Cc3ccccc3Cl)N(C)C(=O)c3ccco3)CC2)cc1 ZINC000012279532 519715788 /nfs/dbraw/zinc/71/57/88/519715788.db2.gz XLBTZVOIZDDHPV-AREMUKBSSA-N 1 0 494.035 5.487 50 0 JKAARO CC(C)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)C[C@@H](O)Cc1ccccc1 ZINC000036306642 519717978 /nfs/dbraw/zinc/71/79/78/519717978.db2.gz UOSYJSWEXGGFEL-VWLOTQADSA-N 1 0 487.619 6.080 50 0 JKAARO CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)N2CCC([NH+]3CCCCC3)CC2)[C@H]1c1cccs1 ZINC000020508440 519719968 /nfs/dbraw/zinc/71/99/68/519719968.db2.gz LHBAILQPAVGNLS-CLJLJLNGSA-N 1 0 479.690 5.162 50 0 JKAARO CC(C)COC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C(C)C ZINC000036307570 519755611 /nfs/dbraw/zinc/75/56/11/519755611.db2.gz PMFUNXPCHRJACX-QHCPKHFHSA-N 1 0 469.601 5.262 50 0 JKAARO CC(C)COC[C@@H](O)C[N@@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000036146385 519755762 /nfs/dbraw/zinc/75/57/62/519755762.db2.gz KMMQLZZSBAWRJE-SFTDATJTSA-N 1 0 499.866 5.676 50 0 JKAARO CC(C)COC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C(C)C ZINC000036307047 519755947 /nfs/dbraw/zinc/75/59/47/519755947.db2.gz JEZLNIBJCJDWCO-QHCPKHFHSA-N 1 0 469.601 5.262 50 0 JKAARO CC(C)COC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)CC1CC1 ZINC000036307780 519757427 /nfs/dbraw/zinc/75/74/27/519757427.db2.gz YRQIMALHHZBBAS-XMMPIXPASA-N 1 0 481.612 5.264 50 0 JKAARO CC(C)COC[C@H](O)C[N@@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccccc2Cl)=NO1 ZINC000036146040 519757509 /nfs/dbraw/zinc/75/75/09/519757509.db2.gz QFAPNMPNOGSIED-RTWAWAEBSA-N 1 0 465.421 5.022 50 0 JKAARO CC(C)COC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)CC1CC1 ZINC000036307304 519757763 /nfs/dbraw/zinc/75/77/63/519757763.db2.gz WQXSNUSSZLTFRQ-XMMPIXPASA-N 1 0 481.612 5.264 50 0 JKAARO CC(C)OC[C@@H](O)C[N@@H+](Cc1c(C(C)C)nn(-c2ccccc2)c1Oc1ccccc1F)CC1CC1 ZINC000036307921 519771941 /nfs/dbraw/zinc/77/19/41/519771941.db2.gz HPMDIVAUJYHFSB-DEOSSOPVSA-N 1 0 495.639 5.925 50 0 JKAARO CC(C)Oc1ccc(C(=O)N2CCC([C@H](Cc3ccccc3)[N@H+](C)Cc3cccnc3)CC2)cc1 ZINC000014882679 519778628 /nfs/dbraw/zinc/77/86/28/519778628.db2.gz VCWRAVCVBMIYRP-LJAQVGFWSA-N 1 0 471.645 5.464 50 0 JKAARO CC(C)c1ccccc1OCc1nc(CN(CC[NH+]2CCCCC2)C(=O)c2ccccc2)cs1 ZINC000036116614 519847751 /nfs/dbraw/zinc/84/77/51/519847751.db2.gz XWJKFFUDECCFQI-UHFFFAOYSA-N 1 0 477.674 5.974 50 0 JKAARO CCCC(=O)OC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)CC1CC1 ZINC000036306606 519881067 /nfs/dbraw/zinc/88/10/67/519881067.db2.gz ALZRAYVPCVXYNM-DEOSSOPVSA-N 1 0 491.632 5.104 50 0 JKAARO CCCOc1ccc([C@](O)(CCc2ccccc2)[C@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000020440491 520434531 /nfs/dbraw/zinc/43/45/31/520434531.db2.gz STUVJWIKNALXHR-FIRIVFDPSA-N 1 0 457.658 6.566 50 0 JKAARO CCCC[N@H+](CCCNC(=O)c1ccc(C[S@@](=O)c2ccccc2Cl)o1)Cc1ccccc1 ZINC000020514721 520500148 /nfs/dbraw/zinc/50/01/48/520500148.db2.gz VXEHJYCBMCTJPA-XIFFEERXSA-N 1 0 487.065 5.663 50 0 JKAARO CCCC[N@H+](CCCNC(=O)c1ccc2c(c1)N=C(CC)c1cc(C)ccc1S2)Cc1ccccc1 ZINC000008813158 520501240 /nfs/dbraw/zinc/50/12/40/520501240.db2.gz GMNUJKOZALKIQV-UHFFFAOYSA-N 1 0 499.724 7.413 50 0 JKAARO CCN(CC)C(=O)[C@H]1CCC[N@@H+](C2CCN(c3ccc(NC(=O)c4ccc(C)cc4C)cc3)CC2)C1 ZINC000014987452 520539851 /nfs/dbraw/zinc/53/98/51/520539851.db2.gz MEZULPLBELSAAT-DEOSSOPVSA-N 1 0 490.692 5.105 50 0 JKAARO CC[NH+](CC)CCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@H]1c1ccc(Cl)cc1 ZINC000002890292 520605625 /nfs/dbraw/zinc/60/56/25/520605625.db2.gz MLMPJGYIKGOYMP-OAQYLSRUSA-N 1 0 459.373 5.377 50 0 JKAARO CC[NH+](CC)CCCNC(=O)c1ccc(/C=C2/Oc3ccccc3N(Cc3cccc(C)c3)C2=O)cc1 ZINC000020355180 520617953 /nfs/dbraw/zinc/61/79/53/520617953.db2.gz CSUIFTJOQBSAEV-XHLNEMQHSA-N 1 0 497.639 5.423 50 0 JKAARO CC[NH+](CC)CCCNC(=O)c1ccc(Cn2c(SCc3ccccc3)nc3cccnc32)cc1 ZINC000008590269 520619050 /nfs/dbraw/zinc/61/90/50/520619050.db2.gz KRYBTPKDCBHHMK-UHFFFAOYSA-N 1 0 487.673 5.234 50 0 JKAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)C[C@H](c1cn(C)c2ccccc12)c1cc(OC)cc(OC)c1 ZINC000034890884 520626955 /nfs/dbraw/zinc/62/69/55/520626955.db2.gz ZRJORRIIXMTOPR-RLWLMLJZSA-N 1 0 479.665 5.344 50 0 JKAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cc(-c2ccccc2Cl)nc2cc(C(C)(C)C)nn21 ZINC000034833200 520628179 /nfs/dbraw/zinc/62/81/79/520628179.db2.gz RJNWWWIMINXQGE-GOSISDBHSA-N 1 0 470.061 5.588 50 0 JKAARO CC[NH+](CC)CCCn1c(=O)c2ccccc2nc1SCc1nc(-c2ccccc2Cl)no1 ZINC000024108201 520638743 /nfs/dbraw/zinc/63/87/43/520638743.db2.gz VQGBYKVLAJXYSJ-UHFFFAOYSA-N 1 0 484.025 5.124 50 0 JKAARO CC[NH+](CC)CCCn1c(=O)c2ccccc2nc1SCc1nnc(-c2ccccc2Cl)o1 ZINC000024670657 520639855 /nfs/dbraw/zinc/63/98/55/520639855.db2.gz OWYSNOVNTWZBQF-UHFFFAOYSA-N 1 0 484.025 5.124 50 0 JKAARO CCOc1cc(C[NH+]2CCC([C@H](Cc3ccccc3F)N(C)C(=O)c3ccoc3C)CC2)ccc1O ZINC000012278380 520695793 /nfs/dbraw/zinc/69/57/93/520695793.db2.gz GVIXQTKOHPVEKA-SANMLTNESA-N 1 0 494.607 5.427 50 0 JKAARO CCOc1cc(C[NH+]2CCC([C@@H](Cc3ccccc3F)N(C)C(=O)c3ccoc3C)CC2)ccc1O ZINC000012278379 520696685 /nfs/dbraw/zinc/69/66/85/520696685.db2.gz GVIXQTKOHPVEKA-AREMUKBSSA-N 1 0 494.607 5.427 50 0 JKAARO CCOc1cc(C[NH+]2CCC([C@H](Cc3ccccc3)N(C)C(=O)c3cccs3)CC2)ccc1OC ZINC000014882562 520696956 /nfs/dbraw/zinc/69/69/56/520696956.db2.gz KXJXKIHFSKCGCC-VWLOTQADSA-N 1 0 492.685 5.751 50 0 JKAARO CCOc1cc(C[NH2+][C@@H](C)c2ccccc2)c(Br)cc1OCC(=O)NCc1ccccc1 ZINC000016382428 520726322 /nfs/dbraw/zinc/72/63/22/520726322.db2.gz JUSYOTNCNQYBNH-IBGZPJMESA-N 1 0 497.433 5.394 50 0 JKAARO CCOc1cc(C[NH2+][C@@H]2CCCc3c2cnn3CCO)ccc1OCc1c(Cl)cccc1Cl ZINC000048275577 520727671 /nfs/dbraw/zinc/72/76/71/520727671.db2.gz OKYMKBBMVDUABA-JOCHJYFZSA-N 1 0 490.431 5.327 50 0 JKAARO CCC[C@@H](O)C[N@@H+](Cc1c(C(C)C)nn(-c2ccccc2)c1Oc1cccc(F)c1)CC1CC1 ZINC000036308024 520797548 /nfs/dbraw/zinc/79/75/48/520797548.db2.gz YHMXRXZQURKHHQ-XMMPIXPASA-N 1 0 465.613 6.300 50 0 JKAARO CCC[C@@H](O)C[N@H+](Cc1c(CC)nn(-c2ccc(OC)cc2)c1Oc1ccccc1OC)C1CC1 ZINC000036303348 520797652 /nfs/dbraw/zinc/79/76/52/520797652.db2.gz UCMCFJQZOASXSF-JOCHJYFZSA-N 1 0 479.621 5.370 50 0 JKAARO CCOc1ccc(-c2cn3c4ccc(C(=O)NCCC[NH+]5CCCCCC5)cc4sc3n2)cc1 ZINC000008588647 520810538 /nfs/dbraw/zinc/81/05/38/520810538.db2.gz XSUQXAOZFWGSCN-UHFFFAOYSA-N 1 0 476.646 5.611 50 0 JKAARO C=C1C(Nc2ccc(C[NH+]3CCC(C)CC3)cc2)=NS(=O)(=O)C1c1ccc(C(C)C)cc1 ZINC000020465868 520841500 /nfs/dbraw/zinc/84/15/00/520841500.db2.gz KXZIKCUEKIQZKL-UHFFFAOYSA-N 1 0 451.636 5.627 50 0 JKAARO CCN(CC)c1onc(-c2ccccc2)c1C[N@H+](CCC(C)C)C[C@@H](O)COCc1ccco1 ZINC000036248928 520935252 /nfs/dbraw/zinc/93/52/52/520935252.db2.gz OGIZWKNYOXVUMA-HSZRJFAPSA-N 1 0 469.626 5.207 50 0 JKAARO CCN(CC)c1onc(-c2ccc(F)cc2)c1CN(CC[NH+](C)C)C(=O)Nc1cccc(Cl)c1 ZINC000036249634 520935978 /nfs/dbraw/zinc/93/59/78/520935978.db2.gz AALSHVXVSJRLCH-UHFFFAOYSA-N 1 0 488.007 5.576 50 0 JKAARO CCOc1ccc(C[N@H+](CCc2ccc3c(c2)OCO3)Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000002872949 520963595 /nfs/dbraw/zinc/96/35/95/520963595.db2.gz YSLXBRWORJQABJ-UHFFFAOYSA-N 1 0 457.492 6.078 50 0 JKAARO CC1CC[NH+](CC2CCN(C(=O)Nc3ccc(C(=O)NCc4ccc(Cl)cc4)cc3)CC2)CC1 ZINC000021868974 521000231 /nfs/dbraw/zinc/00/02/31/521000231.db2.gz UFCPVYRADIFJKD-UHFFFAOYSA-N 1 0 483.056 5.246 50 0 JKAARO CC[N@H+](CCCNC(=O)Cc1ccc(NC(=O)N2CCCCc3ccccc32)cc1)Cc1ccccc1 ZINC000021538077 521015425 /nfs/dbraw/zinc/01/54/25/521015425.db2.gz KBYISTXSFBQTHG-UHFFFAOYSA-N 1 0 498.671 5.632 50 0 JKAARO CC[N@H+](CCCNC(=O)c1cccc(Nc2ccnc(-c3ccc(C)cc3)n2)c1)Cc1ccccc1 ZINC000033025272 521020482 /nfs/dbraw/zinc/02/04/82/521020482.db2.gz GLNSOXFDLDXCKM-UHFFFAOYSA-N 1 0 479.628 5.838 50 0 JKAARO CC1CCN(c2onc(-c3ccccc3)c2C[N@H+](C[C@@H](O)COc2ccccc2)CC2CC2)CC1 ZINC000036249889 521049896 /nfs/dbraw/zinc/04/98/96/521049896.db2.gz IRGPAHGGKKRBBW-RUZDIDTESA-N 1 0 475.633 5.230 50 0 JKAARO CC1CCN(c2onc(-c3ccccc3)c2C[N@H+](C[C@H](O)COc2ccccc2)CC2CC2)CC1 ZINC000036249888 521051450 /nfs/dbraw/zinc/05/14/50/521051450.db2.gz IRGPAHGGKKRBBW-VWLOTQADSA-N 1 0 475.633 5.230 50 0 JKAARO CCOc1ccc(NC(=O)CSC2=NC3(CC[NH+](C)CC3)N=C2c2ccc(C(C)(C)C)cc2)cc1 ZINC000045912756 521064394 /nfs/dbraw/zinc/06/43/94/521064394.db2.gz OJQHJHHINMIXLV-UHFFFAOYSA-N 1 0 492.689 5.378 50 0 JKAARO CCC(=O)Nc1ccc(-c2cc(C(=O)NCCC[N@@H+]3CCCC[C@H]3C)c3ccccc3n2)cc1 ZINC000033106295 521198526 /nfs/dbraw/zinc/19/85/26/521198526.db2.gz KLJJWRBQZMLUAF-HXUWFJFHSA-N 1 0 458.606 5.245 50 0 JKAARO CCC(=O)OC1=NN(c2ccc(Cl)cc2)/C(=C/C2=[NH+]CCc3cc(OC)c(OC)cc32)S1 ZINC000008438076 521232471 /nfs/dbraw/zinc/23/24/71/521232471.db2.gz ATDGNRPODQACBW-BKUYFWCQSA-N 1 0 471.966 5.021 50 0 JKAARO CCCC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1F)CC1CC1 ZINC000036316180 521243240 /nfs/dbraw/zinc/24/32/40/521243240.db2.gz OQCKMXJXFJOGBW-QFIPXVFZSA-N 1 0 469.576 5.921 50 0 JKAARO CCOc1ccc2oc(=O)cc(CN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c2c1 ZINC000020353095 521309940 /nfs/dbraw/zinc/30/99/40/521309940.db2.gz KYUZEZRFVHBDPL-UHFFFAOYSA-N 1 0 454.570 5.099 50 0 JKAARO CCC(CC)C[NH+]1CCC(O)(c2ccc3oc(C(=O)Nc4ccccc4OC)cc3c2)CC1 ZINC000012245121 521523564 /nfs/dbraw/zinc/52/35/64/521523564.db2.gz NWAOILLNGPNPLA-UHFFFAOYSA-N 1 0 450.579 5.413 50 0 JKAARO CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccc(C)cc1C)C(c1ccc(C(C)(C)C)cc1)=N2 ZINC000045912771 521584705 /nfs/dbraw/zinc/58/47/05/521584705.db2.gz VXCZMKJWGJSXJC-UHFFFAOYSA-N 1 0 490.717 5.986 50 0 JKAARO CCCn1ncc(C[NH+]2CCC(Cc3ccccc3C(F)(F)F)(C(=O)OCC)CC2)c1C ZINC000012458109 521671796 /nfs/dbraw/zinc/67/17/96/521671796.db2.gz QMIYNGSAIQJSOR-UHFFFAOYSA-N 1 0 451.533 5.008 50 0 JKAARO CCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@@H](O)COCc1ccco1 ZINC000036307660 521678327 /nfs/dbraw/zinc/67/83/27/521678327.db2.gz CXHGPHLLFOOYPM-HSZRJFAPSA-N 1 0 493.579 5.401 50 0 JKAARO CCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)C[C@@H](O)COCC(C)C ZINC000036305894 521678355 /nfs/dbraw/zinc/67/83/55/521678355.db2.gz XEBGMZARCSSKQK-HSZRJFAPSA-N 1 0 481.637 5.134 50 0 JKAARO CCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@H](O)COC(C)(C)C ZINC000036307716 521678553 /nfs/dbraw/zinc/67/85/53/521678553.db2.gz ZJLZTQFRNKPITK-QFIPXVFZSA-N 1 0 469.601 5.407 50 0 JKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C[C@@H](O)Cc1ccccc1 ZINC000036304172 521679180 /nfs/dbraw/zinc/67/91/80/521679180.db2.gz YWUFCRTXUHMIPK-VWLOTQADSA-N 1 0 491.582 6.067 50 0 JKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C[C@H](O)COC(C)(C)C ZINC000036303931 521679346 /nfs/dbraw/zinc/67/93/46/521679346.db2.gz PVBUUSRZGKTHPO-QHCPKHFHSA-N 1 0 481.637 5.370 50 0 JKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C[C@H](O)Cc1ccccc1 ZINC000036304169 521679646 /nfs/dbraw/zinc/67/96/46/521679646.db2.gz YWUFCRTXUHMIPK-RUZDIDTESA-N 1 0 491.582 6.067 50 0 JKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C[C@@H](O)Cc1ccccc1 ZINC000036302182 521680062 /nfs/dbraw/zinc/68/00/62/521680062.db2.gz AHVKFWQXSMVBCR-SANMLTNESA-N 1 0 485.628 5.797 50 0 JKAARO CCC[N@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)n2c(-c3ccc(OC)cc3)csc2n1 ZINC000033268809 521683828 /nfs/dbraw/zinc/68/38/28/521683828.db2.gz LOAMQCNHUCAOAP-UHFFFAOYSA-N 1 0 453.995 5.497 50 0 JKAARO CCc1cccc(NC(=O)C2CC[NH+](Cc3cc4ccccc4n3Cc3cccc(Cl)c3)CC2)c1 ZINC000046055629 521748914 /nfs/dbraw/zinc/74/89/14/521748914.db2.gz KVZPHQOELDLTQH-UHFFFAOYSA-N 1 0 486.059 6.756 50 0 JKAARO CCc1cccc(NC(=O)C2CC[NH+](Cc3cc4ccccc4n3Cc3ccccc3Cl)CC2)c1 ZINC000046055723 521749029 /nfs/dbraw/zinc/74/90/29/521749029.db2.gz CGIVFWSJKJOCFF-UHFFFAOYSA-N 1 0 486.059 6.756 50 0 JKAARO C[NH+](C)CCNC(=O)C[C@H](c1cn(Cc2ccc(F)cc2)c2ccccc12)c1cccc(Cl)c1 ZINC000033516068 521778878 /nfs/dbraw/zinc/77/88/78/521778878.db2.gz UPUJKYJHKKUNPH-VWLOTQADSA-N 1 0 478.011 5.682 50 0 JKAARO C[NH+](C)Cc1cc(-c2nc3ccccc3s2)ccc1OCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000014974426 521889628 /nfs/dbraw/zinc/88/96/28/521889628.db2.gz GSRVGQGFXKYULO-HSZRJFAPSA-N 1 0 471.626 5.598 50 0 JKAARO COC(=O)c1ccc(C[NH+]2CCC([C@@H](Cc3ccccc3Cl)N(C)C(=O)c3ccco3)CC2)cc1 ZINC000012280246 522007192 /nfs/dbraw/zinc/00/71/92/522007192.db2.gz JFBYDFIHHIYUBX-RUZDIDTESA-N 1 0 495.019 5.315 50 0 JKAARO C[NH+](C)[C@@H](CNc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(C(F)(F)F)c1)c1ccco1 ZINC000035681698 522034946 /nfs/dbraw/zinc/03/49/46/522034946.db2.gz ZKKFFGILKUPCEQ-QFIPXVFZSA-N 1 0 491.517 6.414 50 0 JKAARO CC[C@@H](C)[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)C[C@H](O)COC(C)(C)C ZINC000036308404 522097973 /nfs/dbraw/zinc/09/79/73/522097973.db2.gz ABALIXCKRIRJDL-QPPBQGQZSA-N 1 0 465.638 5.750 50 0 JKAARO CC[C@@H](C)[N@H+](Cc1ccc(C(O)(c2cccs2)c2cccs2)o1)Cc1ccccc1OC ZINC000036167811 522098529 /nfs/dbraw/zinc/09/85/29/522098529.db2.gz BEMGNGWLVLESMJ-LJQANCHMSA-N 1 0 467.656 6.496 50 0 JKAARO COc1cc(C[NH+]2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)ccc1OCc1ccccc1 ZINC000009299663 522366271 /nfs/dbraw/zinc/36/62/71/522366271.db2.gz DNONLYOYSNANMV-UHFFFAOYSA-N 1 0 493.647 6.422 50 0 JKAARO COc1cc(C[NH+]2CCC(N(C(=O)c3cccc(Cl)c3)c3ccc(C)cc3)CC2)ccc1O ZINC000034683339 522369238 /nfs/dbraw/zinc/36/92/38/522369238.db2.gz SIKHZZLUWXVULI-UHFFFAOYSA-N 1 0 464.993 5.674 50 0 JKAARO COc1cc(C[NH+]2CCC([C@H](Cc3ccccc3F)N(C)C(=O)c3ccoc3C)CC2)cc(OC)c1 ZINC000014956590 522369685 /nfs/dbraw/zinc/36/96/85/522369685.db2.gz DVEZDRQBENUWOO-NDEPHWFRSA-N 1 0 494.607 5.340 50 0 JKAARO COc1cc(C[NH+]2CCC([C@H](Cc3ccccc3Cl)N(C)C(=O)c3ccco3)CC2)ccc1F ZINC000012281739 522369776 /nfs/dbraw/zinc/36/97/76/522369776.db2.gz HFYUUIOFNJGFPD-DEOSSOPVSA-N 1 0 484.999 5.676 50 0 JKAARO COC(=O)c1sc2nc(C[N@H+](C)Cc3ccccc3)ccc2c1NC(=O)c1ccc(C)s1 ZINC000014969149 522432663 /nfs/dbraw/zinc/43/26/63/522432663.db2.gz IHSYMEFMJSFPSQ-UHFFFAOYSA-N 1 0 465.600 5.337 50 0 JKAARO COC(=O)c1sc2nc(C[N@@H+]3CCCC[C@@H]3C)ccc2c1NC(=O)c1c(F)cccc1Cl ZINC000012218862 522435499 /nfs/dbraw/zinc/43/54/99/522435499.db2.gz DRDQPMSEYAJCFK-ZDUSSCGKSA-N 1 0 475.973 5.502 50 0 JKAARO COC(=O)c1sc2nc(C[N@@H+]3CCCC[C@H]3C)ccc2c1NC(=O)c1c(F)cccc1Cl ZINC000012218863 522436501 /nfs/dbraw/zinc/43/65/01/522436501.db2.gz DRDQPMSEYAJCFK-CYBMUJFWSA-N 1 0 475.973 5.502 50 0 JKAARO COC(=O)c1sc2nc(C[NH+]3CCC(C)CC3)ccc2c1NC(=O)c1c(F)cccc1Cl ZINC000014986218 522436612 /nfs/dbraw/zinc/43/66/12/522436612.db2.gz FJKZZUIPNSTVNS-UHFFFAOYSA-N 1 0 475.973 5.360 50 0 JKAARO COc1cc(C[NH2+]C2CCCCC2)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000016195585 522442321 /nfs/dbraw/zinc/44/23/21/522442321.db2.gz WSQWFCAARAQRSJ-UHFFFAOYSA-N 1 0 473.238 6.766 50 0 JKAARO COc1cc(C[NH2+]CCc2ccccc2)cc(Br)c1OCC(=O)Nc1ccccc1C ZINC000020406728 522455630 /nfs/dbraw/zinc/45/56/30/522455630.db2.gz TXAAZVREVSGLLV-UHFFFAOYSA-N 1 0 483.406 5.116 50 0 JKAARO COc1cc(C[NH2+][C@@H](C)C23CC4CC(CC(C4)C2)C3)ccc1OCC(=O)NCCc1ccccc1 ZINC000012383196 522469602 /nfs/dbraw/zinc/46/96/02/522469602.db2.gz VQRWPJPIDUPKMY-XNHVATCASA-N 1 0 476.661 5.127 50 0 JKAARO COc1cc(C[NH2+][C@H](C)C23CC4CC(CC(C4)C2)C3)ccc1OCC(=O)NCCc1ccccc1 ZINC000012383197 522485382 /nfs/dbraw/zinc/48/53/82/522485382.db2.gz VQRWPJPIDUPKMY-WLTMPEDNSA-N 1 0 476.661 5.127 50 0 JKAARO COc1cc(Cl)c(C)cc1NC(=O)CCc1nc(C2=CC[N@H+](Cc3cccc(C)c3)CC2)no1 ZINC000033069245 522510696 /nfs/dbraw/zinc/51/06/96/522510696.db2.gz JNBNXBMGOBLURG-UHFFFAOYSA-N 1 0 480.996 5.209 50 0 JKAARO CCc1nn(-c2ccc(F)cc2)c(Oc2ccccc2)c1C[N@H+](C[C@H](O)COC(C)C)C(C)C ZINC000036303438 522636846 /nfs/dbraw/zinc/63/68/46/522636846.db2.gz UZWWWHQSGBIDOS-QHCPKHFHSA-N 1 0 469.601 5.362 50 0 JKAARO CCc1nn(-c2ccccc2)c(Oc2cccc(OC)c2)c1C[N@H+](C[C@H](O)Cc1ccccc1)C1CC1 ZINC000036302585 522640694 /nfs/dbraw/zinc/64/06/94/522640694.db2.gz ZLCJMLSZTLSDEG-AREMUKBSSA-N 1 0 497.639 5.804 50 0 JKAARO COCC(=O)N(C)[C@H](Cc1ccc(F)cc1)C1CC[NH+]([C@@H](C)CCc2c[nH]c3ccccc23)CC1 ZINC000014989735 522729334 /nfs/dbraw/zinc/72/93/34/522729334.db2.gz XABFNTDFEFFLKN-RBTNQOKQSA-N 1 0 479.640 5.056 50 0 JKAARO C[N@H+](CCCNC(=O)c1ccc(Nc2cc(-c3ccccc3)ncn2)cc1)Cc1ccccc1 ZINC000033261344 522767616 /nfs/dbraw/zinc/76/76/16/522767616.db2.gz XTLCLLCURQCJQG-UHFFFAOYSA-N 1 0 451.574 5.139 50 0 JKAARO COc1cc2c(cc1OC)C(/C=C1\SC(C(=O)c3cccs3)=NN1c1ccc(C)cc1)=[NH+]CC2 ZINC000008636968 523023576 /nfs/dbraw/zinc/02/35/76/523023576.db2.gz KCAIORHRAAWMDR-IWIPYMOSSA-N 1 0 489.622 5.710 50 0 JKAARO CC[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2nc(-c3oc4c(cccc4C)c3C)no2)o1 ZINC000065010145 523029666 /nfs/dbraw/zinc/02/96/66/523029666.db2.gz CQDIDSOEPUYPDH-SFHVURJKSA-N 1 0 462.550 5.387 50 0 JKAARO COc1ccc(-c2cc(-c3ccc(Cl)cc3)nc(NC(=O)C[N@@H+]3CCCC[C@@H]3C)n2)cc1 ZINC000021659399 523084158 /nfs/dbraw/zinc/08/41/58/523084158.db2.gz GAWYNSZYVSRJMW-KRWDZBQOSA-N 1 0 450.970 5.286 50 0 JKAARO CCn1c(C(=O)NCCC[N@@H+]2CCC[C@H](C)C2)cc2c(-c3cccs3)nn(-c3ccccc3)c21 ZINC000033277409 523115350 /nfs/dbraw/zinc/11/53/50/523115350.db2.gz XLZQYRWKEUYNDB-FQEVSTJZSA-N 1 0 475.662 5.427 50 0 JKAARO COCCC[N@H+](Cc1ccc(C(O)(c2cccs2)c2cccs2)o1)Cc1ccc(C)s1 ZINC000036154599 523263763 /nfs/dbraw/zinc/26/37/63/523263763.db2.gz FARUNCUDMFUXDO-UHFFFAOYSA-N 1 0 473.685 6.095 50 0 JKAARO C[N@H+](Cc1cccc(OCC[C@@H]2CCCCN2C(=O)c2ccoc2)c1)Cc1cccc2cccnc21 ZINC000014882578 523318674 /nfs/dbraw/zinc/31/86/74/523318674.db2.gz CKJSLWPVJBYSPK-MHZLTWQESA-N 1 0 483.612 5.924 50 0 JKAARO COc1ccc(-n2cc(C(=O)Nc3ccc(C[NH+]4CCC(C)CC4)cc3)c3ccccc3c2=O)cc1 ZINC000020508994 523327339 /nfs/dbraw/zinc/32/73/39/523327339.db2.gz IYNCVXOUGPMWIN-UHFFFAOYSA-N 1 0 481.596 5.484 50 0 JKAARO CCn1cc(C[NH+]2CCC(C(=O)N3CCC(Cc4ccccc4)CC3)CC2)c2cc(Cl)ccc21 ZINC000035457840 523369608 /nfs/dbraw/zinc/36/96/08/523369608.db2.gz QJJAYZLZQZEROH-UHFFFAOYSA-N 1 0 478.080 6.008 50 0 JKAARO COc1ccc(/C=C/C[NH+]2CCC([C@H](Cc3ccccc3)N(C(=O)c3ccco3)C3CC3)CC2)cc1 ZINC000014989142 523405283 /nfs/dbraw/zinc/40/52/83/523405283.db2.gz NPMXZSBPOJFQIT-BEPDLPRFSA-N 1 0 484.640 5.930 50 0 JKAARO CN(Cc1cscn1)C(=O)[C@H]1CC12CC[NH+](Cc1ccc(-c3ccccc3Cl)o1)CC2 ZINC000014883390 523534428 /nfs/dbraw/zinc/53/44/28/523534428.db2.gz VFMYEXGEQZXQDB-HXUWFJFHSA-N 1 0 456.011 5.317 50 0 JKAARO CCn1nc(C)c(C[NH+]2CCC([C@@H](Cc3ccccc3)N(C)C(=O)c3ccsc3)CC2)c1C ZINC000012455365 523641188 /nfs/dbraw/zinc/64/11/88/523641188.db2.gz UEHJSJPFUZXWGR-AREMUKBSSA-N 1 0 464.679 5.177 50 0 JKAARO COc1ccc(C(=O)NC[C@@H](C)Oc2ccc(C[NH+]3CCC(c4ccccc4)CC3)cc2)cc1 ZINC000012244413 523704395 /nfs/dbraw/zinc/70/43/95/523704395.db2.gz AEPIYIWIORWVCZ-JOCHJYFZSA-N 1 0 458.602 5.272 50 0 JKAARO C[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccc(Cl)cc1)C(c1ccc(C(C)(C)C)cc1)=N2 ZINC000045912736 523786208 /nfs/dbraw/zinc/78/62/08/523786208.db2.gz NRDMIAPIJCKVSO-UHFFFAOYSA-N 1 0 483.081 5.633 50 0 JKAARO COc1ccc(C(O)(c2ccc(C[N@H+](Cc3ccc(C)cc3)C(C)C)o2)c2ccc(OC)cc2)cc1 ZINC000036202780 523795879 /nfs/dbraw/zinc/79/58/79/523795879.db2.gz RFOWVIGSNXEHRO-UHFFFAOYSA-N 1 0 485.624 6.300 50 0 JKAARO CCc1ccc(-c2nc(C[NH+]3CCC(C(=O)NCc4ccccc4Cl)CC3)c(C)o2)cc1 ZINC000009731750 523859743 /nfs/dbraw/zinc/85/97/43/523859743.db2.gz LTNCWZPRJFHYIK-UHFFFAOYSA-N 1 0 451.998 5.394 50 0 JKAARO CCc1ccc(C(=O)N(Cc2c(C)nn(-c3ccccc3)c2N2CC[NH+](CC)CC2)[C@H](C)CC)cc1 ZINC000034835047 523881868 /nfs/dbraw/zinc/88/18/68/523881868.db2.gz WOEUTNMMICPRDJ-HSZRJFAPSA-N 1 0 487.692 5.326 50 0 JKAARO CC[C@H](C)[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C[C@H](O)COC(C)C ZINC000036302061 523940183 /nfs/dbraw/zinc/94/01/83/523940183.db2.gz IXTRLJCWBXASNP-URXFXBBRSA-N 1 0 481.637 5.368 50 0 JKAARO CC[C@H](C)[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)C[C@H](O)COC(C)C ZINC000036308393 523940389 /nfs/dbraw/zinc/94/03/89/523940389.db2.gz STHXDYSJWCCWGU-URXFXBBRSA-N 1 0 451.611 5.359 50 0 JKAARO CN(C(=O)c1cccs1)[C@H](Cc1ccccc1F)C1CC[NH+](Cc2ccc3nsnc3c2)CC1 ZINC000014978306 523950893 /nfs/dbraw/zinc/95/08/93/523950893.db2.gz QGNRYGFQGMUAFE-XMMPIXPASA-N 1 0 494.661 5.487 50 0 JKAARO CN(C(=O)c1cccs1)[C@@H](Cc1ccccc1)C1CC[NH+](Cc2ccc3nsnc3c2)CC1 ZINC000012454379 523951188 /nfs/dbraw/zinc/95/11/88/523951188.db2.gz KHJGSJVITIAHLY-DEOSSOPVSA-N 1 0 476.671 5.348 50 0 JKAARO CN(C(=O)c1ccco1)[C@H](Cc1ccccc1Cl)C1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000014966400 523951252 /nfs/dbraw/zinc/95/12/52/523951252.db2.gz QRKNFKNLHVQHSR-AREMUKBSSA-N 1 0 476.020 6.010 50 0 JKAARO CN(C(=O)c1ccco1)[C@H](Cc1ccccc1Cl)C1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000012279088 523951550 /nfs/dbraw/zinc/95/15/50/523951550.db2.gz NLIOVASRZRTENI-XMMPIXPASA-N 1 0 454.973 5.668 50 0 JKAARO CCc1ccc(NC(=O)N2CCC[C@H](c3cccc(C(=O)NCCC[NH+](CC)CC)c3)C2)cc1 ZINC000033035550 523980522 /nfs/dbraw/zinc/98/05/22/523980522.db2.gz HFUUMDFHXMWZOG-VWLOTQADSA-N 1 0 464.654 5.122 50 0 JKAARO COc1ccc(C[N@@H+](Cc2ccc(C(O)(c3ccccc3)c3ccccc3)o2)CC(C)C)cc1OC ZINC000036150659 524014282 /nfs/dbraw/zinc/01/42/82/524014282.db2.gz WTUKMERNTWBCED-UHFFFAOYSA-N 1 0 485.624 6.239 50 0 JKAARO COc1ccc(CN2C(=O)N(C)C3(CC[NH+](Cc4ccc(-c5ccccc5C)cc4)CC3)C2=O)cc1 ZINC000014750319 524019460 /nfs/dbraw/zinc/01/94/60/524019460.db2.gz UGBFFNORZKQQGR-UHFFFAOYSA-N 1 0 483.612 5.099 50 0 JKAARO COc1ccc(C[NH+]2CCC([C@H](Cc3ccccc3F)N(C)C(=O)c3ccoc3C)CC2)cc1 ZINC000014992368 524024391 /nfs/dbraw/zinc/02/43/91/524024391.db2.gz PSOVUJJZPBZYHX-MHZLTWQESA-N 1 0 464.581 5.331 50 0 JKAARO COc1ccc(C[NH+]2CCC([C@H](Cc3ccccc3F)N(C)C(=O)c3cccs3)CC2)cc1 ZINC000012245719 524024484 /nfs/dbraw/zinc/02/44/84/524024484.db2.gz DTXOBPQDZYPBCB-VWLOTQADSA-N 1 0 466.622 5.491 50 0 JKAARO COc1ccc(C[NH+]2CCC([C@H](Cc3ccccc3Cl)N(C)C(=O)c3ccco3)CC2)cc1 ZINC000014990214 524024885 /nfs/dbraw/zinc/02/48/85/524024885.db2.gz AZRVBURNHTWWMI-VWLOTQADSA-N 1 0 467.009 5.537 50 0 JKAARO COc1ccc(C[NH+]2CCC([C@@H](Cc3ccccc3)N(C(=O)c3ccccn3)C3CC3)CC2)c(F)c1 ZINC000014883009 524024968 /nfs/dbraw/zinc/02/49/68/524024968.db2.gz FNUQCPFJSZHAPZ-GDLZYMKVSA-N 1 0 487.619 5.357 50 0 JKAARO COc1ccc(CNC(=O)C2CC[NH+](Cc3cc4ccccc4n3Cc3cccc(F)c3)CC2)cc1 ZINC000046055998 524046400 /nfs/dbraw/zinc/04/64/00/524046400.db2.gz ZLKKNNNLOLRWBR-UHFFFAOYSA-N 1 0 485.603 5.366 50 0 JKAARO COc1ccc(CNC(=O)C2CC[NH+](Cc3cc4ccccc4n3Cc3ccccc3)CC2)cc1 ZINC000046055436 524046461 /nfs/dbraw/zinc/04/64/61/524046461.db2.gz OURSCRCPOVQSQZ-UHFFFAOYSA-N 1 0 467.613 5.227 50 0 JKAARO COc1ccc(CNC(=O)C2CC[NH+](Cc3cc4ccccc4n3Cc3cccc(C)c3)CC2)cc1 ZINC000046055871 524046472 /nfs/dbraw/zinc/04/64/72/524046472.db2.gz WNDRNTKFDNOKPG-UHFFFAOYSA-N 1 0 481.640 5.535 50 0 JKAARO C[C@H]1CCC[N@H+](Cc2cc(-c3ccc4c(c3)OCO4)ccc2OCC(=O)NCc2cccc(F)c2)C1 ZINC000014974993 524092124 /nfs/dbraw/zinc/09/21/24/524092124.db2.gz ISMIYYPOQQMWCM-FQEVSTJZSA-N 1 0 490.575 5.149 50 0 JKAARO Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1cccc(OCCC(C)C)c1)N(CCC[NH+](C)C)C3=O ZINC000016750748 524098216 /nfs/dbraw/zinc/09/82/16/524098216.db2.gz DTJARISFYJQAPN-RUZDIDTESA-N 1 0 462.590 5.023 50 0 JKAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(Oc2nccnc2Sc2ccc(Cl)cc2)cc1 ZINC000033139914 524112501 /nfs/dbraw/zinc/11/25/01/524112501.db2.gz CFPNWTOLJZKRIF-GOSISDBHSA-N 1 0 483.037 5.678 50 0 JKAARO Cc1ccc(C)c(NC(=O)C2CC[NH+](Cc3cc4ccccc4n3Cc3ccccc3Cl)CC2)c1 ZINC000046055703 524132399 /nfs/dbraw/zinc/13/23/99/524132399.db2.gz UKHSNPNGLBCSSN-UHFFFAOYSA-N 1 0 486.059 6.811 50 0 JKAARO Cc1ccc(C)c(NC(=O)Cn2cc(-c3nnc(C[NH+]4CCC(C)CC4)o3)c3ccccc32)c1 ZINC000033129372 524141735 /nfs/dbraw/zinc/14/17/35/524141735.db2.gz BKKMPTUTRSIHOZ-UHFFFAOYSA-N 1 0 457.578 5.179 50 0 JKAARO C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)Cn1c(-c2ccccc2)c(-c2ccccc2)c2ccc3ccccc3c21 ZINC000035075090 524142542 /nfs/dbraw/zinc/14/25/42/524142542.db2.gz ABGJQFSDZULDCZ-JWZRJXMASA-N 1 0 488.675 7.658 50 0 JKAARO COc1cccc([C@H](c2c(C)c(C)sc2NC(=O)c2cccs2)[NH+]2CCC(C)CC2)c1 ZINC000038546705 524168884 /nfs/dbraw/zinc/16/88/84/524168884.db2.gz CGEFUMGTUDHFRZ-HSZRJFAPSA-N 1 0 454.661 6.509 50 0 JKAARO C[C@H](CCNC(=O)[C@H](C)C1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1)[NH+]1CCCCCC1 ZINC000046125163 524189922 /nfs/dbraw/zinc/18/99/22/524189922.db2.gz TWTILTKUAIHAJJ-WOJBJXKFSA-N 1 0 487.088 5.080 50 0 JKAARO COc1ccc(Cl)cc1NC(=O)Cn1cc(-c2nnc(C[NH+]3CCC(C)CC3)o2)c2ccccc21 ZINC000046149894 524231677 /nfs/dbraw/zinc/23/16/77/524231677.db2.gz SNYYUKGHMZSYCT-UHFFFAOYSA-N 1 0 493.995 5.224 50 0 JKAARO Cc1ccc(C2=NN(C(=O)C[NH+]3CCC(Cc4ccccc4)CC3)[C@H](c3ccccc3C)C2)c(C)c1 ZINC000036344991 524233175 /nfs/dbraw/zinc/23/31/75/524233175.db2.gz ROIRUJIOHWTHNJ-HKBQPEDESA-N 1 0 479.668 6.244 50 0 JKAARO COc1ccc(F)c(C[NH+]2CCC([C@H](Cc3ccccc3)N(C(=O)c3ccccn3)C3CC3)CC2)c1 ZINC000014881889 524274075 /nfs/dbraw/zinc/27/40/75/524274075.db2.gz AMSOKWKSEZHNQK-LJAQVGFWSA-N 1 0 487.619 5.357 50 0 JKAARO Cc1cc(C)c(NC(=O)C2CC[NH+](Cc3cc4ccccc4n3Cc3cccc(F)c3)CC2)c(C)c1 ZINC000046056041 524281743 /nfs/dbraw/zinc/28/17/43/524281743.db2.gz OKZBKCGJVJAVOA-UHFFFAOYSA-N 1 0 483.631 6.605 50 0 JKAARO C[C@H](CN1CC[NH+](Cc2ccccc2)CC1)N(C(=O)c1ccc(C(C)(C)C)cc1)c1ccccn1 ZINC000020432305 524345262 /nfs/dbraw/zinc/34/52/62/524345262.db2.gz JRVKSHNFZRPZNR-XMMPIXPASA-N 1 0 470.661 5.232 50 0 JKAARO Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)CN(CC[NH+]2CCCC2)C(=O)CC(C)(C)C)s1 ZINC000033656179 524416783 /nfs/dbraw/zinc/41/67/83/524416783.db2.gz KJUCPKSVYPHMDE-UHFFFAOYSA-N 1 0 487.685 5.085 50 0 JKAARO Cc1ccc(C[N@H+](Cc2ccc(C(O)(c3cccc(F)c3)c3cccc(F)c3)o2)C2CC2)cc1 ZINC000036202823 524417163 /nfs/dbraw/zinc/41/71/63/524417163.db2.gz OKHWKEVASIQOTA-UHFFFAOYSA-N 1 0 459.536 6.315 50 0 JKAARO Cc1ccc(C[N@H+](Cc2ccc(C(O)(c3ccccc3)c3ccccc3)o2)Cc2ccccc2)cc1 ZINC000036145485 524418285 /nfs/dbraw/zinc/41/82/85/524418285.db2.gz ZUEUGFDUKJBQOY-UHFFFAOYSA-N 1 0 473.616 7.075 50 0 JKAARO COc1ccccc1C[N@@H+](Cc1ccc(C(O)(c2cccs2)c2cccs2)o1)CC(C)C ZINC000036167829 524443417 /nfs/dbraw/zinc/44/34/17/524443417.db2.gz CWNOOZADFTXYCH-UHFFFAOYSA-N 1 0 467.656 6.354 50 0 JKAARO COc1ccccc1C[NH+]1CCC(c2nnc(SCc3ccc(F)cc3)n2C[C@@H]2CCCO2)CC1 ZINC000014959532 524450229 /nfs/dbraw/zinc/45/02/29/524450229.db2.gz REQFJVOBMCHQPH-DEOSSOPVSA-N 1 0 496.652 5.277 50 0 JKAARO COc1ccccc1CNC(=O)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccccc2)CC1 ZINC000046055451 524459141 /nfs/dbraw/zinc/45/91/41/524459141.db2.gz ARKONZVTJSAFGO-UHFFFAOYSA-N 1 0 467.613 5.227 50 0 JKAARO C[C@@H](CC[NH+]1CCC2(C[C@@H]2C(=O)NCC2(c3ccccc3)CCOCC2)CC1)c1ccccc1 ZINC000014879334 524484867 /nfs/dbraw/zinc/48/48/67/524484867.db2.gz WCAZGJFCYQJIGE-RPLLCQBOSA-N 1 0 460.662 5.147 50 0 JKAARO Cc1cccc(Cn2c(C[NH+]3CCC(C(=O)N[C@@H](C)c4ccccc4)CC3)cc3ccccc32)c1 ZINC000046055877 524490840 /nfs/dbraw/zinc/49/08/40/524490840.db2.gz RNGYQLLXBUOXBT-DEOSSOPVSA-N 1 0 465.641 6.087 50 0 JKAARO Cc1cccc(Cn2c(C[NH+]3CCC(C(=O)N[C@H]4CCCc5ccccc54)CC3)cc3ccccc32)c1 ZINC000046055891 524491498 /nfs/dbraw/zinc/49/14/98/524491498.db2.gz ZVFKBRSBHXBNST-HKBQPEDESA-N 1 0 491.679 6.404 50 0 JKAARO Cc1ccc(CNC(=O)C2CC[NH+](Cc3cc4ccccc4n3Cc3ccc(Cl)cc3)CC2)cc1 ZINC000046055505 524496308 /nfs/dbraw/zinc/49/63/08/524496308.db2.gz JGXSYVWJIKMJEQ-UHFFFAOYSA-N 1 0 486.059 6.180 50 0 JKAARO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(c2nc(CN3CCOCC3)nc3scc(-c4cccs4)c32)C1 ZINC000040149321 524577921 /nfs/dbraw/zinc/57/79/21/524577921.db2.gz UHEKSDAEVXTPOK-VAMGGRTRSA-N 1 0 497.734 5.094 50 0 JKAARO Cc1cccc(NC(=O)C2CC[NH+](Cc3cc4ccccc4n3Cc3cccc(Cl)c3)CC2)c1 ZINC000046055649 524583486 /nfs/dbraw/zinc/58/34/86/524583486.db2.gz MUJFWLMWCHNMIY-UHFFFAOYSA-N 1 0 472.032 6.502 50 0 JKAARO Cc1cccc(NC(=O)CSC2=NC3(CC[NH+](C)CC3)N=C2c2ccc(C(C)(C)C)cc2)c1C ZINC000045912722 524599089 /nfs/dbraw/zinc/59/90/89/524599089.db2.gz MHYWJZBYDPGKRB-UHFFFAOYSA-N 1 0 476.690 5.596 50 0 JKAARO COc1ccccc1NC(=O)c1cc2cc(C3(O)CC[NH+](C[C@H]4CC=CCC4)CC3)ccc2o1 ZINC000012245068 524626120 /nfs/dbraw/zinc/62/61/20/524626120.db2.gz DXECVQJYTBWEFV-FQEVSTJZSA-N 1 0 460.574 5.333 50 0 JKAARO COc1ccccc1Oc1c(C[N@H+](CC(C)C)C[C@@H](O)Cc2ccccc2)c(-c2ccccc2)nn1C ZINC000036305692 524693695 /nfs/dbraw/zinc/69/36/95/524693695.db2.gz ZCBFJHSTSSFMJM-SANMLTNESA-N 1 0 499.655 5.950 50 0 JKAARO COc1ccccc1Oc1c(C[N@H+](CC(C)C)C[C@H](O)COC(C)(C)C)c(-c2ccccc2)nn1C ZINC000036305704 524693742 /nfs/dbraw/zinc/69/37/42/524693742.db2.gz WMYIFOFILNQNPS-QHCPKHFHSA-N 1 0 495.664 5.522 50 0 JKAARO Cc1ccc(Cn2c(C[NH+]3CCC(C(=O)NCCC4=CCCCC4)CC3)cc3ccccc32)cc1 ZINC000045994240 524767646 /nfs/dbraw/zinc/76/76/46/524767646.db2.gz OFGTUJRMZGRCFH-UHFFFAOYSA-N 1 0 469.673 6.217 50 0 JKAARO Cc1ccc(Cn2c(C[NH+]3CCC(C(=O)N(C)Cc4ccccc4)CC3)cc3ccccc32)cc1 ZINC000045994238 524767804 /nfs/dbraw/zinc/76/78/04/524767804.db2.gz SRWZAOBEZRSXEK-UHFFFAOYSA-N 1 0 465.641 5.869 50 0 JKAARO Cc1cccc(Oc2c(C[N@H+](C[C@@H](O)COCC(C)C)CC3CC3)c(-c3ccccc3)nn2C)c1 ZINC000036306568 524785015 /nfs/dbraw/zinc/78/50/15/524785015.db2.gz NTNNOPKVMRZNIR-RUZDIDTESA-N 1 0 477.649 5.433 50 0 JKAARO Cc1cccc(Oc2c(C[N@H+](C[C@@H](O)COc3ccccc3)C3CC3)c(-c3ccccc3)nn2C)c1 ZINC000036306428 524786265 /nfs/dbraw/zinc/78/62/65/524786265.db2.gz TWZCAZDMMQZUHL-RUZDIDTESA-N 1 0 483.612 5.592 50 0 JKAARO C[C@H](NC(=O)C1CC[NH+](Cc2cc3ccccc3n2Cc2cccc(Cl)c2)CC1)c1ccccc1 ZINC000046055610 524911078 /nfs/dbraw/zinc/91/10/78/524911078.db2.gz UXRASJBWOMDAMY-QFIPXVFZSA-N 1 0 486.059 6.432 50 0 JKAARO C[C@@H](Cc1ccco1)NC(=O)C1CC[NH+](Cc2cc3ccccc3n2Cc2cccc(Cl)c2)CC1 ZINC000046055657 524926003 /nfs/dbraw/zinc/92/60/03/524926003.db2.gz KBDYFQKQYYMFQR-NRFANRHFSA-N 1 0 490.047 5.895 50 0 JKAARO COc1ccc(Oc2c(C[N@H+](CC(C)C)C[C@@H](O)COC(C)(C)C)c(-c3ccccc3)nn2C)cc1 ZINC000036305970 524990425 /nfs/dbraw/zinc/99/04/25/524990425.db2.gz AAGFBJKQWWDSFK-HSZRJFAPSA-N 1 0 495.664 5.522 50 0 JKAARO COc1ccc(Oc2c(C[N@H+](CC(C)C)C[C@H](O)COC(C)(C)C)c(-c3ccccc3)nn2C)cc1 ZINC000036305967 524990696 /nfs/dbraw/zinc/99/06/96/524990696.db2.gz AAGFBJKQWWDSFK-QHCPKHFHSA-N 1 0 495.664 5.522 50 0 JKAARO COc1nc2c(c(C)nn2-c2ccccc2)c(C)c1CCC(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000046006721 524991034 /nfs/dbraw/zinc/99/10/34/524991034.db2.gz BYXXWTNYKCTYON-UHFFFAOYSA-N 1 0 483.616 5.213 50 0 JKAARO COc1ccc(Oc2c(C[N@H+](C[C@@H](O)COCC(C)C)CC3CC3)c(C)nn2-c2ccccc2)cc1 ZINC000036304628 524991096 /nfs/dbraw/zinc/99/10/96/524991096.db2.gz XDMNCMKWAXGPSS-RUZDIDTESA-N 1 0 493.648 5.227 50 0 JKAARO Cc1ccc(NC(=O)C2CC[NH+](Cc3cc4ccccc4n3Cc3cccc(Cl)c3)CC2)cc1 ZINC000046055647 525025706 /nfs/dbraw/zinc/02/57/06/525025706.db2.gz OUTCDGGRPRYZBW-UHFFFAOYSA-N 1 0 472.032 6.502 50 0 JKAARO Cc1ccc(NC(=O)CSC2=NC3(CC[NH+](C)CC3)N=C2c2ccc(C(C)(C)C)cc2)cc1C ZINC000045912726 525072697 /nfs/dbraw/zinc/07/26/97/525072697.db2.gz ZNGQENMAOSXMKA-UHFFFAOYSA-N 1 0 476.690 5.596 50 0 JKAARO Cc1ccc(NC(=O)Cn2cc(-c3nnc(C[NH+]4CCCCC4)o3)c3ccccc32)cc1Cl ZINC000033278782 525103938 /nfs/dbraw/zinc/10/39/38/525103938.db2.gz LGEQPZZJNVVGBP-UHFFFAOYSA-N 1 0 463.969 5.278 50 0 JKAARO Cc1ccccc1Cn1c(C[NH+]2CCC(C(=O)N3CCc4ccccc4C3)CC2)cc2ccccc21 ZINC000046055764 525208930 /nfs/dbraw/zinc/20/89/30/525208930.db2.gz CYIUWIGRKADLBN-UHFFFAOYSA-N 1 0 477.652 5.795 50 0 JKAARO Cc1ccccc1Cn1c(C[NH+]2CCC(C(=O)NCc3cccs3)CC2)cc2ccccc21 ZINC000046055819 525209051 /nfs/dbraw/zinc/20/90/51/525209051.db2.gz OUTXXGUZCRPINH-UHFFFAOYSA-N 1 0 457.643 5.588 50 0 JKAARO Cc1ccccc1Cn1c(C[NH+]2CCC(C(=O)NC3CCCCCC3)CC2)cc2ccccc21 ZINC000046055775 525209308 /nfs/dbraw/zinc/20/93/08/525209308.db2.gz FNMMMQOXILJEBW-UHFFFAOYSA-N 1 0 457.662 6.049 50 0 JKAARO Cc1ccccc1Cn1c(C[NH+]2CCC(C(=O)NCc3cccc(Cl)c3)CC2)cc2ccccc21 ZINC000046055769 525209476 /nfs/dbraw/zinc/20/94/76/525209476.db2.gz DXWDFLBSTGIOCS-UHFFFAOYSA-N 1 0 486.059 6.180 50 0 JKAARO Cc1ccccc1Cn1c(C[NH+]2CCC(C(=O)NCCc3cccs3)CC2)cc2ccccc21 ZINC000046055844 525209523 /nfs/dbraw/zinc/20/95/23/525209523.db2.gz RXXDHKVNVQXSGH-UHFFFAOYSA-N 1 0 471.670 5.630 50 0 JKAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccc3c(c2)N(C)C(=O)/C(=C/c2ccccc2Cl)S3)C1 ZINC000020180380 525210048 /nfs/dbraw/zinc/21/00/48/525210048.db2.gz YMZJPDHUGGCWLL-OVFJRLGUSA-N 1 0 498.092 5.547 50 0 JKAARO Cc1ccccc1NC(=O)C1CC[NH+](Cc2cc3ccccc3n2Cc2cccc(F)c2)CC1 ZINC000046056005 525230329 /nfs/dbraw/zinc/23/03/29/525230329.db2.gz ZMJSNFKQHVUFHT-UHFFFAOYSA-N 1 0 455.577 5.988 50 0 JKAARO Cc1ccccc1NC(=O)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccccc2Cl)CC1 ZINC000046055701 525233625 /nfs/dbraw/zinc/23/36/25/525233625.db2.gz IVDVZPUCCOEFDA-UHFFFAOYSA-N 1 0 472.032 6.502 50 0 JKAARO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@H]3c1ccc(OCc2ccc(Cl)c(Cl)c2)c(OC)c1 ZINC000012371478 525486804 /nfs/dbraw/zinc/48/68/04/525486804.db2.gz ACFGEGUNKPSTBY-VWLOTQADSA-N 1 0 483.395 6.306 50 0 JKAARO Cc1cc2c(-c3ccccc3)c(-c3ccccc3)n(C[C@H](O)C[NH+]3CCC(C)CC3)c2c(C)c1 ZINC000002083418 525584246 /nfs/dbraw/zinc/58/42/46/525584246.db2.gz QFSLIMOTNGQKJL-HHHXNRCGSA-N 1 0 452.642 6.685 50 0 JKAARO Cc1c(C(=O)NCCC[NH+]2CCCCCC2)oc2c1-c1nn(Cc3cccc(Cl)c3)cc1CC2 ZINC000020490161 525609476 /nfs/dbraw/zinc/60/94/76/525609476.db2.gz QIMIVXYOASYMQZ-UHFFFAOYSA-N 1 0 481.040 5.248 50 0 JKAARO Cc1c(C(=O)NCCC[NH+]2CCCCC2)oc2ccc3c(c12)C(=O)C[C@@](C)(c1ccc(Cl)cc1)O3 ZINC000020418057 525610543 /nfs/dbraw/zinc/61/05/43/525610543.db2.gz DJEBWPLYDJGIQP-NDEPHWFRSA-N 1 0 495.019 5.881 50 0 JKAARO Cc1c(C(=O)NCC[NH+]2CCCCCC2)oc2ccc3c(c12)C(=O)C[C@@](C)(c1ccc(Cl)cc1)O3 ZINC000020418069 525611888 /nfs/dbraw/zinc/61/18/88/525611888.db2.gz BGXGYGMBCCREMA-NDEPHWFRSA-N 1 0 495.019 5.881 50 0 JKAARO COc1ccc2ccccc2c1Cn1cnc2sc3c(c2c1=O)CC[C@H]([NH2+]C1CCCC1)C3 ZINC000014966550 525652681 /nfs/dbraw/zinc/65/26/81/525652681.db2.gz OBVONQGFEWZXNR-IBGZPJMESA-N 1 0 459.615 5.058 50 0 JKAARO Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1cccc(Oc2ccccc2)c1)N(CCC[NH+](C)C)C3=O ZINC000016749835 525691882 /nfs/dbraw/zinc/69/18/82/525691882.db2.gz BYNNTCNAKYYKJZ-HHHXNRCGSA-N 1 0 482.580 5.699 50 0 JKAARO Cc1ccc(-c2c3nc(C)cc(N4CC[NH+](C5CCCCC5)CC4)n3nc2C(F)(F)F)cc1 ZINC000021799349 525711634 /nfs/dbraw/zinc/71/16/34/525711634.db2.gz GBOUXHNDLIIRSL-UHFFFAOYSA-N 1 0 457.544 5.487 50 0 JKAARO COc1cccc(-n2c(SC[C@@H]3CCCO3)nnc2C2CC[NH+](Cc3ccccc3F)CC2)c1 ZINC000014888567 525749034 /nfs/dbraw/zinc/74/90/34/525749034.db2.gz ZEHUWWBPIPYQCC-QHCPKHFHSA-N 1 0 482.625 5.066 50 0 JKAARO COc1cccc(-n2c(SC[C@H]3CCCO3)nnc2C2CC[NH+](Cc3ccccc3F)CC2)c1 ZINC000014888570 525749455 /nfs/dbraw/zinc/74/94/55/525749455.db2.gz ZEHUWWBPIPYQCC-HSZRJFAPSA-N 1 0 482.625 5.066 50 0 JKAARO Cc1ccc(-c2ccc(OC[C@H](O)C[NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)c(C)c2)cc1 ZINC000025336234 525753989 /nfs/dbraw/zinc/75/39/89/525753989.db2.gz VKFPZHOPUOZEDK-AREMUKBSSA-N 1 0 484.562 5.551 50 0 JKAARO Cc1ccc(-c2csc3[nH]c(C[N@H+](C[C@@H](O)COC(C)(C)C)C4CCCCC4)nc(=O)c23)cc1C ZINC000036205366 525785443 /nfs/dbraw/zinc/78/54/43/525785443.db2.gz WNPYMIJRHGFWPK-JOCHJYFZSA-N 1 0 497.705 5.579 50 0 JKAARO Cc1ccc(-c2nn(-c3ccccc3)cc2CCC(=O)NCCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000033255134 525839627 /nfs/dbraw/zinc/83/96/27/525839627.db2.gz ZIRZHIUWDHYOSV-UHFFFAOYSA-N 1 0 478.640 5.345 50 0 JKAARO Cc1ccsc1C[NH+]1CCC2(CC1)C(=O)N(Cc1ccccc1)C(=O)N2CCc1ccccc1 ZINC000014752507 525844546 /nfs/dbraw/zinc/84/45/46/525844546.db2.gz YQAQCGFWOMZBSA-UHFFFAOYSA-N 1 0 473.642 5.098 50 0 JKAARO Cc1ccsc1C[NH+]1CCC(O)(c2ccc3oc(C(=O)N4CCc5ccccc5C4)cc3c2)CC1 ZINC000014966499 525845883 /nfs/dbraw/zinc/84/58/83/525845883.db2.gz OBLFAKVZIDNESK-UHFFFAOYSA-N 1 0 486.637 5.485 50 0 JKAARO CSc1ccc(C[NH+]2CCC([C@@H](Cc3ccccc3)N(C(=O)c3ccccn3)C3CC3)CC2)cc1 ZINC000014951291 525989596 /nfs/dbraw/zinc/98/95/96/525989596.db2.gz UGUUUIQPLPQCHQ-GDLZYMKVSA-N 1 0 485.697 5.932 50 0 JKAARO CSc1ccc(C[NH+]2CCC([C@H](Cc3ccccc3)N(C(=O)c3ccccn3)C3CC3)CC2)cc1 ZINC000014951299 525989736 /nfs/dbraw/zinc/98/97/36/525989736.db2.gz UGUUUIQPLPQCHQ-LJAQVGFWSA-N 1 0 485.697 5.932 50 0 JKAARO C[C@H](C(=O)NCCC[N@@H+]1CCc2ccccc2C1)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000013369305 526047203 /nfs/dbraw/zinc/04/72/03/526047203.db2.gz NLIPPIIJYHHBQS-HXUWFJFHSA-N 1 0 473.020 5.482 50 0 JKAARO COc1cccc(C[C@@H](C2CC[NH+](CC[C@H](C)c3ccccc3)CC2)N(C)C(=O)c2ccccn2)c1 ZINC000014882343 526071927 /nfs/dbraw/zinc/07/19/27/526071927.db2.gz ADYRIJXXZTVRRX-NGQVCNFZSA-N 1 0 485.672 5.679 50 0 JKAARO COc1cccc(C[C@@H](C2CC[NH+](Cc3cccn3-c3ccccn3)CC2)N(C)C(=O)c2ccco2)c1 ZINC000014996872 526072157 /nfs/dbraw/zinc/07/21/57/526072157.db2.gz UWCRHDCWGYPDJG-MHZLTWQESA-N 1 0 498.627 5.069 50 0 JKAARO C[C@H](c1ccccc1)N(Cc1nc(C(=O)NCC[NH+](C)C)co1)Cc1ccc(C(C)(C)C)cc1 ZINC000036063901 526095103 /nfs/dbraw/zinc/09/51/03/526095103.db2.gz UCILCWGHNMFOAK-OAQYLSRUSA-N 1 0 462.638 5.027 50 0 JKAARO Cc1ccc(C(=O)N2CCC[C@@H](COc3ccc(C[N@@H+](C)Cc4cccc5ccccc54)cc3)C2)s1 ZINC000014887127 526097918 /nfs/dbraw/zinc/09/79/18/526097918.db2.gz ACUMFZPYHFQWAP-RUZDIDTESA-N 1 0 498.692 6.773 50 0 JKAARO COc1cccc(Oc2c(C[N@H+](CC(C)C)C[C@@H](O)COC(C)C)c(-c3ccccc3)nn2C)c1 ZINC000036305270 526240821 /nfs/dbraw/zinc/24/08/21/526240821.db2.gz QLTVOOGJGMPNMY-HSZRJFAPSA-N 1 0 481.637 5.132 50 0 JKAARO COc1cccc(Oc2c(C[N@H+](CC(C)C)C[C@H](O)COC(C)C)c(-c3ccccc3)nn2C)c1 ZINC000036305268 526240849 /nfs/dbraw/zinc/24/08/49/526240849.db2.gz QLTVOOGJGMPNMY-QHCPKHFHSA-N 1 0 481.637 5.132 50 0 JKAARO Cc1ccc2nc(-c3ccc(Cl)cc3)cc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)c2c1 ZINC000020407677 526241311 /nfs/dbraw/zinc/24/13/11/526241311.db2.gz XIGPRWPOZBPYQW-UHFFFAOYSA-N 1 0 470.016 6.258 50 0 JKAARO COc1cccc(Oc2c(C[N@H+](C[C@@H](O)Cc3ccccc3)CC3CC3)c(-c3ccccc3)nn2C)c1 ZINC000036305629 526241416 /nfs/dbraw/zinc/24/14/16/526241416.db2.gz BWKRDRZPYLPCGZ-SANMLTNESA-N 1 0 497.639 5.704 50 0 JKAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(Oc2nccnc2Sc2ccc(Cl)cc2)cc1 ZINC000033139915 526250341 /nfs/dbraw/zinc/25/03/41/526250341.db2.gz CFPNWTOLJZKRIF-SFHVURJKSA-N 1 0 483.037 5.678 50 0 JKAARO O[C@@H](Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000003210199 526270285 /nfs/dbraw/zinc/27/02/85/526270285.db2.gz LYNXUHAGKSBEKX-RUZDIDTESA-N 1 0 489.446 7.165 50 0 JKAARO O[C@H](COCc1ccccc1)C[N@@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036145990 526285389 /nfs/dbraw/zinc/28/53/89/526285389.db2.gz DWKHZXSILPDTFP-UIOOFZCWSA-N 1 0 499.438 5.566 50 0 JKAARO O[C@H](COCc1ccccc1)C[N@@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146122 526286177 /nfs/dbraw/zinc/28/61/77/526286177.db2.gz ZMBILRAWYDXLTA-UIOOFZCWSA-N 1 0 482.983 5.052 50 0 JKAARO O[C@H](COc1ccccc1)C[N@@H+](Cc1ccccc1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000036146590 526290978 /nfs/dbraw/zinc/29/09/78/526290978.db2.gz ZOVLEOYLRJQEPK-GMAHTHKFSA-N 1 0 485.411 5.429 50 0 JKAARO O=C(NCC[N@H+](CCc1ccccc1)Cc1ccco1)c1cc(-c2ccccn2)nc2ccccc21 ZINC000033052731 526295319 /nfs/dbraw/zinc/29/53/19/526295319.db2.gz UWHPPNNSEHKNJC-UHFFFAOYSA-N 1 0 476.580 5.365 50 0 JKAARO O=C(NCC[NH+]1CCC(Cc2ccccc2)CC1)c1ccc2nc(CCc3ccccc3)oc2c1 ZINC000064968176 526301820 /nfs/dbraw/zinc/30/18/20/526301820.db2.gz OHUGPARPXMFAEZ-UHFFFAOYSA-N 1 0 467.613 5.298 50 0 JKAARO O=C(NCC[NH+]1CCCCC1)c1ccc2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc2c1 ZINC000020389430 526308455 /nfs/dbraw/zinc/30/84/55/526308455.db2.gz ITNLGXRMYGOORS-UHFFFAOYSA-N 1 0 472.539 5.458 50 0 JKAARO Fc1ccc(CSc2nnc(C3CC[NH+](Cc4ccccc4)CC3)n2C[C@@H]2CCCO2)cc1 ZINC000014965885 526344678 /nfs/dbraw/zinc/34/46/78/526344678.db2.gz YLSINMNLUQMAKK-DEOSSOPVSA-N 1 0 466.626 5.268 50 0 JKAARO O=C(CC1CCCC1)Nc1cccc(N2CCC([NH2+]Cc3cnn(Cc4ccccc4)c3)CC2)c1 ZINC000014995508 526358462 /nfs/dbraw/zinc/35/84/62/526358462.db2.gz GJZHULGQIQRPAS-UHFFFAOYSA-N 1 0 471.649 5.209 50 0 JKAARO O=C(NCCc1ccccc1)[C@@H]1CC12CC[NH+](Cc1cccc(OCc3ccccc3)c1)CC2 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RKGIYNPEDJDYBD-UHFFFAOYSA-N 1 0 463.669 6.317 50 0 JKAARO O=C(CC[N@@H+]1Cc2ccccc2O[C@H](c2ccccc2F)C1)N[C@@H](c1ccccc1)c1ccncc1 ZINC000014995602 526496038 /nfs/dbraw/zinc/49/60/38/526496038.db2.gz FRJRDFBRZUCSHA-JDXGNMNLSA-N 1 0 481.571 5.452 50 0 JKAARO O=C([C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1)N1CCC([NH+]2CCCCC2)CC1 ZINC000020508648 526517850 /nfs/dbraw/zinc/51/78/50/526517850.db2.gz NHGHLROGSGDUJH-KAYWLYCHSA-N 1 0 491.701 5.448 50 0 JKAARO Cc1nc(-c2ccc(C)cc2)sc1C(=O)N1CCC(CC(=O)NCC[N@@H+](C)C2CCCCC2)CC1 ZINC000065006422 526567460 /nfs/dbraw/zinc/56/74/60/526567460.db2.gz RJPQGASFTKJULD-UHFFFAOYSA-N 1 0 496.721 5.050 50 0 JKAARO O=C(c1cc(-c2ccccc2)n(-c2nc3ccccc3s2)n1)N1CCC([NH+]2CCCCC2)CC1 ZINC000033435895 526590965 /nfs/dbraw/zinc/59/09/65/526590965.db2.gz HTFYMIYFSCYTGW-UHFFFAOYSA-N 1 0 471.630 5.240 50 0 JKAARO Cc1oc(-c2ccc(Cl)cc2)nc1C[N@@H+]1CCC[C@H](C(=O)NCc2ccc(Cl)cc2)C1 ZINC000008597734 526730951 /nfs/dbraw/zinc/73/09/51/526730951.db2.gz MXHDFRPGNGNUON-IBGZPJMESA-N 1 0 458.389 5.485 50 0 JKAARO Cc1oc(-c2cccc(Cl)c2)nc1C[N@@H+]1CCC[C@H](C(=O)NCc2ccc(Cl)cc2)C1 ZINC000008597865 526734466 /nfs/dbraw/zinc/73/44/66/526734466.db2.gz VXBAEEYLXOPFII-IBGZPJMESA-N 1 0 458.389 5.485 50 0 JKAARO O=C(NCc1ccccn1)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccccc2Cl)CC1 ZINC000046055676 526761447 /nfs/dbraw/zinc/76/14/47/526761447.db2.gz GHPMFIJERCEUBW-UHFFFAOYSA-N 1 0 473.020 5.266 50 0 JKAARO O=C(NCc1cccnc1)c1ccc(N2CCC([NH2+]CC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000014984379 526768247 /nfs/dbraw/zinc/76/82/47/526768247.db2.gz KURDXKLAMUOWLI-UHFFFAOYSA-N 1 0 490.651 5.402 50 0 JKAARO Cc1occc1C(=O)N(C)[C@H](Cc1ccccc1F)C1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000012217251 526803332 /nfs/dbraw/zinc/80/33/32/526803332.db2.gz GBCQDVSNQAXATL-HHHXNRCGSA-N 1 0 476.592 5.258 50 0 JKAARO O=C(c1ccccn1)N([C@H](Cc1ccccc1)C1CC[NH+](Cc2ccccc2F)CC1)C1CC1 ZINC000014993919 526813265 /nfs/dbraw/zinc/81/32/65/526813265.db2.gz HKYDPLUICILDAD-MUUNZHRXSA-N 1 0 457.593 5.349 50 0 JKAARO O=C(c1ccccn1)N([C@@H](Cc1ccccc1)C1CC[NH+](Cc2ccc(F)c(F)c2)CC1)C1CC1 ZINC000012244790 526813942 /nfs/dbraw/zinc/81/39/42/526813942.db2.gz LLYQYPRIKJROMJ-NDEPHWFRSA-N 1 0 475.583 5.488 50 0 JKAARO O=C(c1ccco1)N1CCC[C@H](COc2cccc(C[NH+]3CCC(Cc4ccccc4)CC3)c2)C1 ZINC000012280710 526827481 /nfs/dbraw/zinc/82/74/81/526827481.db2.gz GXGXIULXBKRSDI-MHZLTWQESA-N 1 0 472.629 5.666 50 0 JKAARO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000012372262 526842179 /nfs/dbraw/zinc/84/21/79/526842179.db2.gz LLNSDKFCQMVBSO-UHFFFAOYSA-N 1 0 457.977 5.169 50 0 JKAARO Clc1ccc(-c2nc3ccccn3c2C[NH+]2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000020366645 526935549 /nfs/dbraw/zinc/93/55/49/526935549.db2.gz JIQHLIBCYVTGIR-UHFFFAOYSA-N 1 0 471.819 6.284 50 0 JKAARO Clc1ccc(C[NH+]2CCC(CNc3ncnc4onc(-c5ccc(Cl)cc5)c43)CC2)cc1 ZINC000008603663 526944498 /nfs/dbraw/zinc/94/44/98/526944498.db2.gz CEBQGAWALVBGDD-UHFFFAOYSA-N 1 0 468.388 5.916 50 0 JKAARO Clc1ccc(OCC[NH+]2CCN(c3ncnc4scc(-c5ccc(Cl)cc5)c43)CC2)cc1 ZINC000012463977 526958410 /nfs/dbraw/zinc/95/84/10/526958410.db2.gz PJVVJLGIXGGEIM-UHFFFAOYSA-N 1 0 485.440 5.866 50 0 JKAARO O=C(COc1ccc2ccccc2c1)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000016286324 526973082 /nfs/dbraw/zinc/97/30/82/526973082.db2.gz SLUNDCRLCZKYKV-UHFFFAOYSA-N 1 0 451.570 5.180 50 0 JKAARO O=C(COc1ccccc1)Nc1ccc(N2CCC([NH2+]C3C4CC5CC(C4)CC3C5)CC2)cc1 ZINC000012453719 526985842 /nfs/dbraw/zinc/98/58/42/526985842.db2.gz QUNMZSBRPRWICL-UHFFFAOYSA-N 1 0 459.634 5.087 50 0 JKAARO O=C1CC[C@@H](CC[NH2+]Cc2cccc(C(F)(F)F)c2)N1Cc1nc(-c2ccccc2)cs1 ZINC000014990867 526989231 /nfs/dbraw/zinc/98/92/31/526989231.db2.gz NZIWQTRUJRLAPU-FQEVSTJZSA-N 1 0 459.537 5.500 50 0 JKAARO O=C1CC[C@@H]2C[N@@H+](C/C(Cl)=C/c3ccccc3)CC[C@@H]2N1Cc1cccc(C(F)(F)F)c1 ZINC000014985491 526993734 /nfs/dbraw/zinc/99/37/34/526993734.db2.gz IKMKYPDJOHHQOM-VWMCOUNYSA-N 1 0 462.943 5.798 50 0 JKAARO O=C1CC[C@H]([NH+]2CCN(C(c3ccccc3)c3ccccc3)CC2)CCN1Cc1ccc(F)cc1F ZINC000020453528 526994779 /nfs/dbraw/zinc/99/47/79/526994779.db2.gz HDXLRFVHHUJCDD-MHZLTWQESA-N 1 0 489.610 5.253 50 0 JKAARO Cc1nc(NC2CCCCC2)cc(Nc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)[nH+]1 ZINC000033326901 527004759 /nfs/dbraw/zinc/00/47/59/527004759.db2.gz FZMCVLXIRQPGDE-UHFFFAOYSA-N 1 0 455.559 5.213 50 0 JKAARO O=C(Nc1ccc(Cl)cc1)c1cc2cc(C3(O)CC[NH+](Cc4ccccc4)CC3)ccc2o1 ZINC000014993417 527180042 /nfs/dbraw/zinc/18/00/42/527180042.db2.gz NSRILUDDBXUKGL-UHFFFAOYSA-N 1 0 460.961 5.822 50 0 JKAARO O=C(Nc1ccc(F)c(F)c1)c1cc2cc(C3(O)CC[NH+](Cc4cccs4)CC3)ccc2o1 ZINC000014991765 527195541 /nfs/dbraw/zinc/19/55/41/527195541.db2.gz HABDQSAOTDBVAQ-UHFFFAOYSA-N 1 0 468.525 5.508 50 0 JKAARO O=C(Nc1ccc(F)cc1F)c1cccnc1N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000012338614 527212341 /nfs/dbraw/zinc/21/23/41/527212341.db2.gz JRHDJLFWXPMGAQ-UHFFFAOYSA-N 1 0 484.550 5.524 50 0 JKAARO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1sc2ccccc2c1Cl ZINC000016286300 527226938 /nfs/dbraw/zinc/22/69/38/527226938.db2.gz AERKWDWWXYSKPW-UHFFFAOYSA-N 1 0 462.018 6.129 50 0 JKAARO O=S(=O)(N[C@@H]1CCCC[C@@H]1[N@H+](Cc1ccco1)C1CCCCC1)c1ccc(Cl)cc1 ZINC000020441816 527235907 /nfs/dbraw/zinc/23/59/07/527235907.db2.gz ZTYVUZQQMXWRKW-PKTZIBPZSA-N 1 0 451.032 5.357 50 0 JKAARO O=C(Cn1c(-c2cccs2)cc2ccccc21)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000008596942 527348627 /nfs/dbraw/zinc/34/86/27/527348627.db2.gz VZDCDHIWJJRVPN-UHFFFAOYSA-N 1 0 493.076 5.352 50 0 JKAARO O=C(Nc1ccccc1Cl)C1CC[NH+](Cc2cc3ccccc3n2Cc2cccc(F)c2)CC1 ZINC000046055983 527415675 /nfs/dbraw/zinc/41/56/75/527415675.db2.gz FBVYNCVTRBOFIW-UHFFFAOYSA-N 1 0 475.995 6.333 50 0 JKAARO O=c1c2c(ncn1CCCc1ccccc1)sc1c2CC[C@H]([NH2+]Cc2ccc(F)c(F)c2)C1 ZINC000014982371 527455928 /nfs/dbraw/zinc/45/59/28/527455928.db2.gz RHIMSIGWMDPGMG-IBGZPJMESA-N 1 0 465.569 5.016 50 0 JKAARO O=c1c2c(ncn1Cc1cccc(C(F)(F)F)c1)sc1c2CC[C@H]([NH2+]C2CCCCC2)C1 ZINC000012244039 527457202 /nfs/dbraw/zinc/45/72/02/527457202.db2.gz FYODYYFWDWJJBA-SFHVURJKSA-N 1 0 461.553 5.305 50 0 JKAARO OC(c1ccc(C[N@@H+](Cc2ccccc2)C[C@@H]2CCCO2)o1)(c1ccccc1)c1ccccc1 ZINC000036145505 527503730 /nfs/dbraw/zinc/50/37/30/527503730.db2.gz PPFLGTQZKKZBFJ-MHZLTWQESA-N 1 0 453.582 5.745 50 0 JKAARO OC(c1ccc(C[N@@H+](Cc2ccccc2)C[C@H]2CCCO2)o1)(c1ccccc1)c1ccccc1 ZINC000036145506 527503982 /nfs/dbraw/zinc/50/39/82/527503982.db2.gz PPFLGTQZKKZBFJ-HHHXNRCGSA-N 1 0 453.582 5.745 50 0 JKAARO O=C(NC1CCCCCC1)C1CC[NH+](Cc2cc3ccccc3n2Cc2cccc(F)c2)CC1 ZINC000046055988 527517439 /nfs/dbraw/zinc/51/74/39/527517439.db2.gz JJLBBQYRLQOLGW-UHFFFAOYSA-N 1 0 461.625 5.880 50 0 JKAARO Cc1nn(-c2ccc(C)cc2)c2nc(C)cc(C(=O)NCC3CC[NH+](Cc4ccc(F)cc4)CC3)c12 ZINC000020516816 527522966 /nfs/dbraw/zinc/52/29/66/527522966.db2.gz LIXDTXQRIYPRBQ-UHFFFAOYSA-N 1 0 485.607 5.127 50 0 JKAARO Cc1nn(-c2ccc(F)cc2)c(Oc2ccccc2F)c1C[N@@H+](C[C@@H](O)COC(C)C)C(C)C ZINC000036346580 527528515 /nfs/dbraw/zinc/52/85/15/527528515.db2.gz QYISATQGIOHHCC-JOCHJYFZSA-N 1 0 473.564 5.248 50 0 JKAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cccc(Nc2ccc(-c3ccccc3)nn2)c1 ZINC000033258020 527531339 /nfs/dbraw/zinc/53/13/39/527531339.db2.gz SVTLCMLCULIQQY-UHFFFAOYSA-N 1 0 463.585 5.282 50 0 JKAARO Cn1nc(-c2ccccc2)c(C[N@H+](C[C@@H](O)Cc2ccccc2)CC2CC2)c1Oc1ccc(F)cc1 ZINC000036307778 527538199 /nfs/dbraw/zinc/53/81/99/527538199.db2.gz NXNPEDUNMQAMML-SANMLTNESA-N 1 0 485.603 5.834 50 0 JKAARO Cn1nc(-c2ccccc2)c(C[N@H+](C[C@H](O)COC(C)(C)C)CC2CC2)c1Oc1ccccc1F ZINC000036306888 527538235 /nfs/dbraw/zinc/53/82/35/527538235.db2.gz DDFMTUFLENFMDY-QFIPXVFZSA-N 1 0 481.612 5.407 50 0 JKAARO Cn1nc(-c2ccccc2)c(C[N@H+](C[C@H](O)COC(C)(C)C)CC2CC2)c1Oc1ccc(F)cc1 ZINC000036307804 527538752 /nfs/dbraw/zinc/53/87/52/527538752.db2.gz YGPILDRPHYKMEJ-QHCPKHFHSA-N 1 0 481.612 5.407 50 0 JKAARO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc2c(c1)OCO2)c1c(Cl)cc(Cl)cc1Cl ZINC000022667700 527545029 /nfs/dbraw/zinc/54/50/29/527545029.db2.gz OVTGBHFZARKHAN-MQVJKMGUSA-N 1 0 467.780 5.301 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1C[N@@H+](C[C@H](O)COC(C)C)C(C)C ZINC000036304101 527548740 /nfs/dbraw/zinc/54/87/40/527548740.db2.gz WRGLANXIYXGYJN-QFIPXVFZSA-N 1 0 473.564 5.248 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1C[N@H+](C[C@@H](O)COCC(C)C)CC1CC1 ZINC000036304270 527548836 /nfs/dbraw/zinc/54/88/36/527548836.db2.gz GLODMFCMPDQEDQ-XMMPIXPASA-N 1 0 499.602 5.497 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1C[N@H+](CC(C)C)C[C@H](O)COC(C)C ZINC000036303963 527549250 /nfs/dbraw/zinc/54/92/50/527549250.db2.gz ACOAMFZBUDDCJG-QHCPKHFHSA-N 1 0 487.591 5.495 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1C[N@H+](C[C@H](O)Cc1ccccc1)C1CC1 ZINC000036304796 527550028 /nfs/dbraw/zinc/55/00/28/527550028.db2.gz LTDMMPARNXPNNL-HHHXNRCGSA-N 1 0 467.613 5.849 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2ccccc2Cl)c1C[N@H+](C[C@H](O)COC(C)(C)C)CC1CC1 ZINC000036303606 527550288 /nfs/dbraw/zinc/55/02/88/527550288.db2.gz LWXXCYMDIHWFQF-QHCPKHFHSA-N 1 0 498.067 6.014 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1C[N@H+](C[C@@H](O)Cc1ccccc1)CC1CC1 ZINC000036304901 527551027 /nfs/dbraw/zinc/55/10/27/527551027.db2.gz HKNTUQHQLFCKCW-NDEPHWFRSA-N 1 0 481.640 6.097 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1C[N@@H+](C[C@@H](O)COC(C)(C)C)C(C)C ZINC000036304767 527551041 /nfs/dbraw/zinc/55/10/41/527551041.db2.gz FSANNWXHHGMJLU-XMMPIXPASA-N 1 0 465.638 5.668 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@H+](C[C@@H](O)c1ccccc1)CC1CC1 ZINC000036308650 527551152 /nfs/dbraw/zinc/55/11/52/527551152.db2.gz VKARQJCVQPGBAU-MUUNZHRXSA-N 1 0 453.586 5.919 50 0 JKAARO O=C(NCC1CC[NH+](Cc2ccccc2Cl)CC1)c1cc(-c2ccccn2)nc2ccccc21 ZINC000033267192 527611209 /nfs/dbraw/zinc/61/12/09/527611209.db2.gz LFBFOGVTUJRGTL-UHFFFAOYSA-N 1 0 471.004 5.592 50 0 JKAARO O=C(NCCC1=CCCCC1)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000046055967 527622759 /nfs/dbraw/zinc/62/27/59/527622759.db2.gz QJURUYGHEHRMBW-UHFFFAOYSA-N 1 0 473.636 6.047 50 0 JKAARO O=C(NCCC[NH+](Cc1ccccc1)Cc1ccccc1)c1cc(=O)c2c(Cl)cc(Cl)cc2[nH]1 ZINC000048534015 527657943 /nfs/dbraw/zinc/65/79/43/527657943.db2.gz OUKBPWAZSUYCGV-UHFFFAOYSA-N 1 0 494.422 5.657 50 0 JKAARO O[C@@H](COCc1ccccc1)C[N@@H+](Cc1cccc(F)c1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146013 527657894 /nfs/dbraw/zinc/65/78/94/527657894.db2.gz FJQSLRIQSZZVLE-FTJBHMTQSA-N 1 0 482.983 5.052 50 0 JKAARO O=C(NCCC[NH+]1CCC(Cc2ccccc2)CC1)c1ccc2c(c1)NC(=O)c1ccccc1S2 ZINC000020385120 527659838 /nfs/dbraw/zinc/65/98/38/527659838.db2.gz GGYJWBLPWHUABR-UHFFFAOYSA-N 1 0 485.653 5.478 50 0 JKAARO O[C@@H](Cc1ccccc1)C[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000036146370 527664377 /nfs/dbraw/zinc/66/43/77/527664377.db2.gz VLFVYSKZIPNLLA-GOTSBHOMSA-N 1 0 487.402 5.731 50 0 JKAARO COc1ccc([C@H](CC(=O)NCC[NH+]2CCCC2)c2cn(Cc3ccccc3)c3ccccc23)cc1 ZINC000096276153 536909978 /nfs/dbraw/zinc/90/99/78/536909978.db2.gz UHMJDSFYZAZGJC-NDEPHWFRSA-N 1 0 481.640 5.432 50 0 JKAARO COc1ccccc1CCNC(=O)c1ccc(C[N@H+](CCC(C)C)Cc2ccc(C)s2)o1 ZINC000096281058 537039101 /nfs/dbraw/zinc/03/91/01/537039101.db2.gz NNMIGSQPYVTZJL-UHFFFAOYSA-N 1 0 454.636 5.679 50 0 JKAARO O=C(CCC[NH+]1CCN(c2ccc(F)cc2)CC1)N[C@@H]1c2ccccc2CSc2ccccc21 ZINC000000607979 553711335 /nfs/dbraw/zinc/71/13/35/553711335.db2.gz WFNRNNUZFPVBSM-MUUNZHRXSA-N 1 0 475.633 5.239 50 0 in-man JKAARO Fc1ccc2c(c1)C1=C([C@H](c3ccccc3)O2)[C@H](c2ccc(Br)cc2)N2NC=NC2=N1 ZINC000000638127 553722181 /nfs/dbraw/zinc/72/21/81/553722181.db2.gz RYXJLQPYRVIRSQ-GOTSBHOMSA-N 1 0 475.321 5.392 50 0 JKAARO CCOc1ccc(-c2cc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)c3cc(C)ccc3n2)cc1 ZINC000000653278 553733982 /nfs/dbraw/zinc/73/39/82/553733982.db2.gz NYCFSFNSQMSVHA-UHFFFAOYSA-N 1 0 479.624 6.003 50 0 JKAARO O=C(Nc1ccc(C(=O)OC[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1)c1cccc(Br)c1 ZINC000000682830 553754620 /nfs/dbraw/zinc/75/46/20/553754620.db2.gz VCPJOSLAPPPDGI-DENIHFKCSA-N 1 0 471.395 5.123 50 0 JKAARO COc1cc2c(cc1OC)C1(CCOCC1)C[N@H+](CC[C@@H](c1ccccc1)c1ccccc1O)C2 ZINC000000755129 553777514 /nfs/dbraw/zinc/77/75/14/553777514.db2.gz PJAQNPHFXJNCAR-DEOSSOPVSA-N 1 0 473.613 5.495 50 0 JKAARO O[C@H](Cn1c2ccc(Br)cc2c2cc(Br)ccc21)C[NH+]1CCCCC1 ZINC000000820891 553786113 /nfs/dbraw/zinc/78/61/13/553786113.db2.gz VSRSHNKHEIZDAQ-INIZCTEOSA-N 1 0 466.217 5.166 50 0 JKAARO O=C(OC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc2nc(-c3cccs3)cc(C(F)(F)Cl)n2n1 ZINC000000978059 553889998 /nfs/dbraw/zinc/88/99/98/553889998.db2.gz OFMRCMZEVATFDR-YOEHRIQHSA-N 1 0 480.968 5.167 50 0 JKAARO CCOC(=O)c1c2cc(OC(C)=O)c(Br)cc2n(-c2ccccc2)c1C[NH+](CC)CC ZINC000001233996 553936800 /nfs/dbraw/zinc/93/68/00/553936800.db2.gz KRSUMUFFGXZMOF-UHFFFAOYSA-N 1 0 487.394 5.337 50 0 JKAARO Cc1cc2c(-c3ccccc3)c(-c3ccccc3)n(C[C@H](O)C[NH2+]Cc3ccccc3)c2c(C)c1 ZINC000002083392 554028839 /nfs/dbraw/zinc/02/88/39/554028839.db2.gz KCUNRRRNZPJVQM-MUUNZHRXSA-N 1 0 460.621 6.743 50 0 JKAARO CCOC(=O)c1c(-c2ccc(-c3ccccc3)cc2)csc1NC(=O)CC[NH2+]Cc1ccco1 ZINC000002087905 554033208 /nfs/dbraw/zinc/03/32/08/554033208.db2.gz YGVRTJPSOSLGQS-UHFFFAOYSA-N 1 0 474.582 5.970 50 0 JKAARO O=C(Cc1cccc2ccccc21)N[C@H](OC[C@H]1CCC[N@@H+]2CCCC[C@H]12)C(Cl)(Cl)Cl ZINC000002090956 554034415 /nfs/dbraw/zinc/03/44/15/554034415.db2.gz QEHNLADBQYXELH-KJXAQDMKSA-N 1 0 483.867 5.476 50 0 JKAARO O=C(N[C@H](OC[C@H]1CCC[N@@H+]2CCCC[C@H]12)C(Cl)(Cl)Cl)c1ccc(Cl)cc1 ZINC000002129637 554059541 /nfs/dbraw/zinc/05/95/41/554059541.db2.gz OXYYGWFHYWELQU-QGPMSJSTSA-N 1 0 454.225 5.047 50 0 JKAARO O=C(N[C@@H](OC[C@H]1CCC[N@@H+]2CCCC[C@H]12)C(Cl)(Cl)Cl)c1cccc2ccccc21 ZINC000002129685 554059577 /nfs/dbraw/zinc/05/95/77/554059577.db2.gz VRSQERDXHFMAAL-ZNLUXHQJSA-N 1 0 469.840 5.547 50 0 JKAARO CC(C)[NH+](Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000002274634 554128603 /nfs/dbraw/zinc/12/86/03/554128603.db2.gz VBECXNLOACCKAQ-UHFFFAOYSA-N 1 0 495.792 8.698 50 0 JKAARO CC[NH+](CC)CCN1C(=O)c2ccccc2N[C@@H]1c1ccc(OC)c(COc2ccc(F)cc2)c1 ZINC000002293800 554136804 /nfs/dbraw/zinc/13/68/04/554136804.db2.gz DROKJTPRZBKCDA-MHZLTWQESA-N 1 0 477.580 5.322 50 0 JKAARO CSc1nc2c(sc3nc(CC(C)C)c4c(c32)CC(C)(C)OC4)c(NCCC[NH+](C)C)n1 ZINC000002453968 554221074 /nfs/dbraw/zinc/22/10/74/554221074.db2.gz XMRBBYOPQXRUFM-UHFFFAOYSA-N 1 0 473.712 5.375 50 0 JKAARO Brc1cccc(CN2CCC([N@H+](CCc3ccccc3)Cc3ccccc3)CC2)c1 ZINC000002735962 554319226 /nfs/dbraw/zinc/31/92/26/554319226.db2.gz SYYBFSHNFWIMJL-UHFFFAOYSA-N 1 0 463.463 6.158 50 0 JKAARO CCOc1ccc(C[N@H+](CCc2ccc3c(c2)OCO3)Cc2cc(OC)c(OC)c(OC)c2)cc1 ZINC000002750304 554326072 /nfs/dbraw/zinc/32/60/72/554326072.db2.gz CTDMQAKXSPIXGS-UHFFFAOYSA-N 1 0 479.573 5.085 50 0 biogenic JKAARO CCOc1ccccc1C[N@H+](CCc1ccc2c(c1)OCO2)Cc1cc(OC)c(OC)c(OC)c1 ZINC000002768650 554335036 /nfs/dbraw/zinc/33/50/36/554335036.db2.gz GUWNYHXKPRQGFN-UHFFFAOYSA-N 1 0 479.573 5.085 50 0 JKAARO CCCc1ccc([C@H](C)[NH2+]CC(=O)Nc2nc(-c3ccc(Br)cc3)cs2)cc1 ZINC000002789430 554346128 /nfs/dbraw/zinc/34/61/28/554346128.db2.gz NLZOIMZWGMSLFK-HNNXBMFYSA-N 1 0 458.425 5.814 50 0 JKAARO CCOc1ccc(C[N@H+](CCc2ccc3c(c2)OCO3)Cc2cccc(Br)c2)cc1 ZINC000002870284 554395100 /nfs/dbraw/zinc/39/51/00/554395100.db2.gz XVYDWFZKMTZLLY-UHFFFAOYSA-N 1 0 468.391 5.821 50 0 JKAARO Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)c1Cl ZINC000002881307 554403160 /nfs/dbraw/zinc/40/31/60/554403160.db2.gz FEAGHTRZVMMJCM-UHFFFAOYSA-N 1 0 456.801 5.033 50 0 JKAARO CC[NH+](CC)CCCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2[C@@H]1c1ccc(C)cc1 ZINC000002890268 554408699 /nfs/dbraw/zinc/40/86/99/554408699.db2.gz SHZBZUBYPZMQGO-QFIPXVFZSA-N 1 0 483.406 5.141 50 0 JKAARO COCC[NH+](CCOC)C[C@@H](O)Cn1c2ccc(C)cc2c(-c2ccccc2)c1-c1ccccc1 ZINC000003201319 554430264 /nfs/dbraw/zinc/43/02/64/554430264.db2.gz KRIZHVZLUZFZLR-AREMUKBSSA-N 1 0 472.629 5.239 50 0 JKAARO CCOC(=O)c1c2cc(OC[C@@H](O)C[N@@H+]3CCc4ccccc4C3)ccc2oc1-c1ccccc1 ZINC000003253306 554437404 /nfs/dbraw/zinc/43/74/04/554437404.db2.gz HOQVVHLHPRTPHY-QHCPKHFHSA-N 1 0 471.553 5.075 50 0 JKAARO CCOC(=O)c1c2cc(OC[C@H](O)C[N@@H+]3CCc4ccccc4C3)ccc2oc1-c1ccccc1 ZINC000003253304 554437424 /nfs/dbraw/zinc/43/74/24/554437424.db2.gz HOQVVHLHPRTPHY-HSZRJFAPSA-N 1 0 471.553 5.075 50 0 JKAARO C[N@H+](CC(=O)Nc1sc2c(c1C(=O)Nc1ccc(Cl)cc1)CCCC2)C1CCCCC1 ZINC000003344787 554455265 /nfs/dbraw/zinc/45/52/65/554455265.db2.gz VPDNOVJSPFCZDJ-UHFFFAOYSA-N 1 0 460.043 5.736 50 0 JKAARO CC(C)c1ccc([C@@H](O)CCC[NH+]2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000003929426 554471609 /nfs/dbraw/zinc/47/16/09/554471609.db2.gz FZSQPQGERLSIOR-PMERELPUSA-N 1 0 457.658 6.272 50 0 JKAARO Cc1sc(NC(=O)c2ccco2)c([C@H](c2cccnc2)[NH+]2CCC(Cc3ccccc3)CC2)c1C ZINC000006144652 554510379 /nfs/dbraw/zinc/51/03/79/554510379.db2.gz QYUQRGXIYNUYLQ-MHZLTWQESA-N 1 0 485.653 6.649 50 0 JKAARO O[C@@H](Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21)C[N@H+](Cc1ccccc1)[C@@H]1CCCC[C@@H]1O ZINC000008397057 554571956 /nfs/dbraw/zinc/57/19/56/554571956.db2.gz OVNOSJCTSBMTDI-OFEZKSIWSA-N 1 0 497.466 6.268 50 0 JKAARO Cc1ccc2nc(-c3ccc(N4C(=O)C[C@@H]([N@@H+]5CCC[C@H]6CCCC[C@@H]65)C4=O)cc3)sc2c1 ZINC000008414617 554578345 /nfs/dbraw/zinc/57/83/45/554578345.db2.gz AAUUMHAFSZYNOZ-YFXJRYMSSA-N 1 0 459.615 5.558 50 0 JKAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(Sc2ccc(Cl)cc2)nc2ccccc21 ZINC000008583227 554601052 /nfs/dbraw/zinc/60/10/52/554601052.db2.gz LRBROXMJIZREQI-SFHVURJKSA-N 1 0 454.039 6.034 50 0 JKAARO COc1ccc(Nc2cc(C(=O)NCCC[N@H+](C)Cc3ccccc3)c3ccccc3n2)cc1 ZINC000008583446 554601289 /nfs/dbraw/zinc/60/12/89/554601289.db2.gz WHTLSVDCIQYGCA-UHFFFAOYSA-N 1 0 454.574 5.239 50 0 JKAARO C[NH2+][C@H]1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(NCCC3=CCCCC3)c(=O)cc21 ZINC000008740162 554642037 /nfs/dbraw/zinc/64/20/37/554642037.db2.gz ITMLPOYRIXADCV-QFIPXVFZSA-N 1 0 464.606 5.249 50 0 biogenic JKAARO Cc1sc(NC(=O)c2ccco2)c([C@H](c2ccc(OC(F)F)cc2)[NH+]2CCCCC2)c1C ZINC000008763384 554663448 /nfs/dbraw/zinc/66/34/48/554663448.db2.gz IXHRETCMVWOYOX-NRFANRHFSA-N 1 0 460.546 6.387 50 0 JKAARO COc1ccc(OCc2n(C)c3ccccc3[n+]2CC(=O)O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)cc1 ZINC000008763978 554664424 /nfs/dbraw/zinc/66/44/24/554664424.db2.gz YBINXMKLOILQMU-VAPDBKPJSA-N 1 0 465.614 5.057 50 0 biogenic JKAARO COc1ccc(OCc2n(C)c3ccccc3[n+]2CC(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)cc1 ZINC000008763977 554664441 /nfs/dbraw/zinc/66/44/41/554664441.db2.gz YBINXMKLOILQMU-ROSOWXQZSA-N 1 0 465.614 5.057 50 0 biogenic JKAARO [NH2+]=C(Nc1ccc(-c2ccccc2)cc1)Nc1nc(CSc2nc3ccccc3s2)cc(=O)[nH]1 ZINC000008770987 554670998 /nfs/dbraw/zinc/67/09/98/554670998.db2.gz HVJGIPVFLVETSF-UHFFFAOYSA-N 1 0 484.610 5.798 50 0 JKAARO COc1ccc(C[N@@H+](Cc2ccco2)C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)C4=C[C@@H]32)cc1OC ZINC000008790569 554683805 /nfs/dbraw/zinc/68/38/05/554683805.db2.gz DIZRVTJKTGQHJC-QLNNSXCMSA-N 1 0 479.617 5.613 50 0 biogenic JKAARO CCC1=Nc2cc(C(=O)NCCC[N@H+](Cc3ccccc3)C(C)C)ccc2Sc2ccc(C)cc21 ZINC000008813168 554695302 /nfs/dbraw/zinc/69/53/02/554695302.db2.gz DZKNBSRFUHQZCQ-UHFFFAOYSA-N 1 0 485.697 7.021 50 0 JKAARO CCOc1cccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCC[NH+](CC)CC)c1 ZINC000008834883 554733007 /nfs/dbraw/zinc/73/30/07/554733007.db2.gz NBNOICQHYVBPTR-HSZRJFAPSA-N 1 0 468.981 5.122 50 0 JKAARO CCOc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCC[NH+](CC)CC)cc1OC ZINC000008834881 554733042 /nfs/dbraw/zinc/73/30/42/554733042.db2.gz AFTDOYUZSSABJL-XMMPIXPASA-N 1 0 499.007 5.131 50 0 JKAARO C[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3cccc4ccccc43)=NN12 ZINC000008837945 554739116 /nfs/dbraw/zinc/73/91/16/554739116.db2.gz LWRNEFVZZGSMQO-QHCPKHFHSA-N 1 0 462.391 5.568 50 0 JKAARO Cc1nn(-c2ccccc2)c(C)c1C[NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000008850663 554747660 /nfs/dbraw/zinc/74/76/60/554747660.db2.gz PCYBRVUHBRZYKU-UHFFFAOYSA-N 1 0 479.411 6.338 50 0 JKAARO FC(F)(F)c1cccc(C[NH+]2CCC(c3cc(-c4ccc(Cl)cc4Cl)n[nH]3)CC2)c1 ZINC000008855329 554750992 /nfs/dbraw/zinc/75/09/92/554750992.db2.gz IDOVNQSYGBYHGV-UHFFFAOYSA-N 1 0 454.323 6.782 50 0 JKAARO CC(C)=CCOc1ccc2c(C)c(CC(=O)NC3CC[NH+](Cc4ccccc4)CC3)c(=O)oc2c1C ZINC000008877368 554772728 /nfs/dbraw/zinc/77/27/28/554772728.db2.gz HOGTXBVECSFYIY-UHFFFAOYSA-N 1 0 488.628 5.078 50 0 biogenic JKAARO Cc1ccc(Cl)cc1NC(=O)C1CC[NH+](Cc2cnn(-c3ccccc3)c2-n2cccc2)CC1 ZINC000008911558 554800504 /nfs/dbraw/zinc/80/05/04/554800504.db2.gz XKRFQAIUBKAOGN-UHFFFAOYSA-N 1 0 474.008 5.476 50 0 JKAARO CCCC[N@H+](CCCNC(=O)c1ccc2nc(N3CCCCC3)sc2c1)Cc1ccccc1 ZINC000008911734 554800932 /nfs/dbraw/zinc/80/09/32/554800932.db2.gz POQJJROSJURQLF-UHFFFAOYSA-N 1 0 464.679 5.709 50 0 JKAARO Cc1ccc(C[NH+]2CCC(CNC(=O)c3ccc(N4CCOc5ccccc54)s3)CC2)cc1 ZINC000008912124 554801935 /nfs/dbraw/zinc/80/19/35/554801935.db2.gz AHEGWBOFYPYCPU-UHFFFAOYSA-N 1 0 461.631 5.229 50 0 JKAARO CC(C)[N@H+](CCCNC(=O)c1ccc2nc(N3CCC(C)CC3)sc2c1)Cc1ccccc1 ZINC000008912725 554803238 /nfs/dbraw/zinc/80/32/38/554803238.db2.gz WFUYVENHSOLNQN-UHFFFAOYSA-N 1 0 464.679 5.563 50 0 JKAARO CC[C@@H](C)[N@H+](CCNC(=O)c1ccc2nc(N3CCC(C)CC3)sc2c1)C1CCCCC1 ZINC000008912728 554803281 /nfs/dbraw/zinc/80/32/81/554803281.db2.gz WHOWLNFSHPZESD-HXUWFJFHSA-N 1 0 456.700 5.696 50 0 JKAARO CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC(=O)c4cccs4)cc2)N3)C1 ZINC000008923397 554820376 /nfs/dbraw/zinc/82/03/76/554820376.db2.gz FHELRMVYYXGKEB-FQEVSTJZSA-N 1 0 453.589 5.224 50 0 JKAARO COc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C(C)C)C4)ccc1OC(=O)c1cccs1 ZINC000008923405 554820620 /nfs/dbraw/zinc/82/06/20/554820620.db2.gz YDGWTARZLIQHLI-NRFANRHFSA-N 1 0 483.615 5.233 50 0 JKAARO CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4cccc(Br)c4)o2)N3)C1 ZINC000008923477 554820636 /nfs/dbraw/zinc/82/06/36/554820636.db2.gz SCFNSRUARHMBAT-FQEVSTJZSA-N 1 0 472.408 5.966 50 0 JKAARO CC(/C=C/c1cc[n+](-c2ccccc2)c2ccccc12)=C/C=C1\C=CN(c2ccccc2)c2ccccc21 ZINC000008926132 554822386 /nfs/dbraw/zinc/82/23/86/554822386.db2.gz FPUCBTAFAPGWST-UHFFFAOYSA-N 1 0 489.642 8.825 50 0 JKAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OCc4ccccc4Cl)cc2)N3)C1 ZINC000008928050 554825546 /nfs/dbraw/zinc/82/55/46/554825546.db2.gz WGAHODUWFBDLAV-JOCHJYFZSA-N 1 0 453.995 5.787 50 0 JKAARO CCC(C)(C)c1ccc(OCCCC(=O)OC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c(C(C)(C)CC)c1 ZINC000008964493 554838391 /nfs/dbraw/zinc/83/83/91/554838391.db2.gz VFIRJXUWSVPBAV-JYFHCDHNSA-N 1 0 471.726 7.029 50 0 biogenic JKAARO COc1c2c(cc3c1[C@H](C[C@@H](O)c1cc4c(cc1C)C(C)(C)[C@@H](C)CC4(C)C)[N@H+](C)CC3)OCO2 ZINC000008964507 554838486 /nfs/dbraw/zinc/83/84/86/554838486.db2.gz KIIPWXWTCHRTLY-GKVQRAMASA-N 1 0 479.661 5.980 50 0 biogenic JKAARO O=C1c2ccccc2[C@H](OC2CC[NH+](Cc3ccccc3)CC2)N1CCc1ccc(Cl)cc1 ZINC000008983442 554847743 /nfs/dbraw/zinc/84/77/43/554847743.db2.gz OQLWLGQLDPYKJK-NDEPHWFRSA-N 1 0 461.005 5.718 50 0 JKAARO Cc1coc2cc3oc(=O)c(CC(=O)NCCC4CC[NH+](Cc5ccccc5)CC4)c(C)c3cc12 ZINC000008992128 554853072 /nfs/dbraw/zinc/85/30/72/554853072.db2.gz RYNMSQWEMJUDNX-UHFFFAOYSA-N 1 0 472.585 5.117 50 0 JKAARO CCOC(=O)c1c2cc(O)c(Br)cc2n(-c2ccccc2)c1C[NH+]1CCC(C)CC1 ZINC000009015984 554866338 /nfs/dbraw/zinc/86/63/38/554866338.db2.gz CBARMUPAOPYJMA-UHFFFAOYSA-N 1 0 471.395 5.507 50 0 JKAARO CC(C)[NH+]1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(Sc4ccccc4)cc3)=NN12 ZINC000009018926 554866803 /nfs/dbraw/zinc/86/68/03/554866803.db2.gz LPSXHJJKFPWBMV-HHHXNRCGSA-N 1 0 469.654 6.582 50 0 JKAARO COc1cccc2c1OC1(CC[NH+](Cc3ccccc3)CC1)N1N=C(c3ccccc3Cl)C[C@@H]21 ZINC000009019525 554866962 /nfs/dbraw/zinc/86/69/62/554866962.db2.gz MIKCMBMIWAOGSY-VWLOTQADSA-N 1 0 474.004 5.884 50 0 JKAARO O=C(N[C@@H](OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(Cl)(Cl)Cl)c1ccc(Cl)cc1 ZINC000009033403 554867596 /nfs/dbraw/zinc/86/75/96/554867596.db2.gz OXYYGWFHYWELQU-LESCRADOSA-N 1 0 454.225 5.047 50 0 biogenic JKAARO O=C(N[C@H](OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(Cl)(Cl)Cl)c1cccc(Cl)c1 ZINC000009033462 554867658 /nfs/dbraw/zinc/86/76/58/554867658.db2.gz DWGJOEKNMCQDLE-YXJHDRRASA-N 1 0 454.225 5.047 50 0 biogenic JKAARO O=C(Cc1cccc2ccccc21)N[C@H](OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(Cl)(Cl)Cl ZINC000009033804 554867860 /nfs/dbraw/zinc/86/78/60/554867860.db2.gz QEHNLADBQYXELH-XKCSPQBFSA-N 1 0 483.867 5.476 50 0 biogenic JKAARO CC1CC[NH+](C[C@H](O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)CC1 ZINC000009065138 554884982 /nfs/dbraw/zinc/88/49/82/554884982.db2.gz ILSBQBFSDVBUSY-KRWDZBQOSA-N 1 0 480.244 5.412 50 0 JKAARO O=S(=O)(c1ccccc1)N(C[C@@H](O)C[NH+](C1CCCCC1)C1CCCCC1)c1ccccc1 ZINC000009075378 554886612 /nfs/dbraw/zinc/88/66/12/554886612.db2.gz QCJDJAYMGZOLOV-SANMLTNESA-N 1 0 470.679 5.210 50 0 JKAARO Cc1ccc(Cn2cc(CCC(=O)NCCC[N@@H+](C)Cc3ccccc3)c3ccccc32)cc1 ZINC000009116076 554903333 /nfs/dbraw/zinc/90/33/33/554903333.db2.gz FPKVQVQSVHQDMR-UHFFFAOYSA-N 1 0 453.630 5.569 50 0 JKAARO O=C(CCc1cn(Cc2ccc(F)cc2)c2ccccc12)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000009116104 554903342 /nfs/dbraw/zinc/90/33/42/554903342.db2.gz UWFLGZGOWZXGKS-UHFFFAOYSA-N 1 0 469.604 5.542 50 0 JKAARO Cc1ccc(NC(=O)N(Cc2ccc3c(c2)OCO3)C2CC[NH+](Cc3ccccc3)CC2)c(Cl)c1 ZINC000009151148 554937059 /nfs/dbraw/zinc/93/70/59/554937059.db2.gz MEOAMYHZGQMKCO-UHFFFAOYSA-N 1 0 492.019 6.076 50 0 JKAARO COc1cccc2sc(N(CCC[NH+](C)C)C(=O)c3ccccc3Oc3ccccc3)nc21 ZINC000009151905 554939225 /nfs/dbraw/zinc/93/92/25/554939225.db2.gz RLFHCDGIXLWEOI-UHFFFAOYSA-N 1 0 461.587 5.696 50 0 JKAARO Cc1cccc(C[NH+]2CCC(CNC(=O)c3nc(-c4ccc(Cl)cc4)n4c3CCCCC4)CC2)c1 ZINC000009152938 554941426 /nfs/dbraw/zinc/94/14/26/554941426.db2.gz LDUFJTXBZHIANY-UHFFFAOYSA-N 1 0 491.079 5.880 50 0 JKAARO O=C(NCCC[N@H+](Cc1ccco1)C1CCCC1)c1nc(-c2ccc(Cl)cc2)n2c1CCCCC2 ZINC000009152951 554941781 /nfs/dbraw/zinc/94/17/81/554941781.db2.gz JQALVOVZRXQZSI-UHFFFAOYSA-N 1 0 495.067 6.088 50 0 JKAARO C[NH+]1CCC2(CC1)Oc1c(Cl)cc(Cl)cc1[C@@H]1CC(c3ccc(Oc4ccccc4)cc3)=NN12 ZINC000009191594 554963912 /nfs/dbraw/zinc/96/39/12/554963912.db2.gz MOWSCCKHJQJWGO-VWLOTQADSA-N 1 0 494.422 6.751 50 0 JKAARO Cc1nn(-c2ccc(F)cc2)c(-n2cccc2)c1C(=O)NCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000009211700 554981681 /nfs/dbraw/zinc/98/16/81/554981681.db2.gz BZHGWOGPYOVQMZ-UHFFFAOYSA-N 1 0 499.634 5.185 50 0 JKAARO Cc1oc(-c2ccc(C(=O)N3CC[NH+](C4CCCCC4)CC3)cc2)nc1CSc1ccccc1 ZINC000009212006 554982294 /nfs/dbraw/zinc/98/22/94/554982294.db2.gz ZKMUSMCJPDMGSF-UHFFFAOYSA-N 1 0 475.658 6.033 50 0 JKAARO CC(C)Cn1cc(NC(=O)NCC2CC[NH+](Cc3cccc(Cl)c3)CC2)c2ccccc2c1=O ZINC000009227615 555000518 /nfs/dbraw/zinc/00/05/18/555000518.db2.gz QUTOBAKBLHZCQB-UHFFFAOYSA-N 1 0 481.040 5.345 50 0 JKAARO CC[N@H+](CCCNC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccc(Cl)cc1)Cc1ccccc1 ZINC000009229125 555003202 /nfs/dbraw/zinc/00/32/02/555003202.db2.gz VETKEOWHSTXCSV-UHFFFAOYSA-N 1 0 488.075 6.602 50 0 JKAARO C[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccc(Cl)c(Cl)c3)=NN12 ZINC000009232671 555004988 /nfs/dbraw/zinc/00/49/88/555004988.db2.gz OSMIARPOUGEAAF-LJQANCHMSA-N 1 0 481.221 5.721 50 0 JKAARO Cc1c(C(=O)NCC[NH+](CC(C)C)CC(C)C)oc2ccc3c(c12)C(=O)CC1(CCCCC1)O3 ZINC000009251354 555024995 /nfs/dbraw/zinc/02/49/95/555024995.db2.gz OXUFROYRWDGLAV-UHFFFAOYSA-N 1 0 468.638 5.753 50 0 biogenic JKAARO COc1ccc(-c2cc(C(=O)Nc3ccc(N4CC[NH+](C)CC4)cc3C)c3ccccc3n2)cc1OC ZINC000009254024 555029547 /nfs/dbraw/zinc/02/95/47/555029547.db2.gz AVFZDOVYEVKKNK-UHFFFAOYSA-N 1 0 496.611 5.232 50 0 JKAARO CCCOc1ccc(-c2nc(C[NH+]3CCC(C(=O)Nc4c(C)cccc4C)CC3)c(C)o2)cc1 ZINC000009274596 555047466 /nfs/dbraw/zinc/04/74/66/555047466.db2.gz YEJCLEJOTBVERB-UHFFFAOYSA-N 1 0 461.606 5.906 50 0 JKAARO COc1ccc2c(c1)[nH]c(C(=O)NCCC[N@@H+]1CCCC[C@H]1C)c2Sc1ccc(Cl)cc1 ZINC000009288620 555062474 /nfs/dbraw/zinc/06/24/74/555062474.db2.gz MKNQLXTUSIZWBE-QGZVFWFLSA-N 1 0 472.054 5.975 50 0 JKAARO COc1ccc2c(c1)[nH]c(C(=O)NCCC[N@H+]1[C@H](C)CCC[C@@H]1C)c2Sc1ccc(Cl)cc1 ZINC000009288658 555062493 /nfs/dbraw/zinc/06/24/93/555062493.db2.gz NYVIYABETYSBAF-HDICACEKSA-N 1 0 486.081 6.364 50 0 JKAARO CC[NH+](CC)CCCNC(=O)CN1C(=O)c2ccccc2[C@@H]1c1c2ccccc2[nH]c1-c1ccccc1 ZINC000009289540 555063836 /nfs/dbraw/zinc/06/38/36/555063836.db2.gz XCNZIBVEQMHSQF-SSEXGKCCSA-N 1 0 494.639 5.228 50 0 JKAARO c1ccc(C[NH+]2CCC3(CC2)Oc2ccccc2[C@@H]2CC(c4ccc5ccccc5c4)=NN23)cc1 ZINC000009330684 555100910 /nfs/dbraw/zinc/10/09/10/555100910.db2.gz SZDKSEFMUCSROA-LJAQVGFWSA-N 1 0 459.593 6.376 50 0 JKAARO CSc1ccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2cccc(Cl)c2)N2NC=NC2=N3)cc1 ZINC000009345145 555110617 /nfs/dbraw/zinc/11/06/17/555110617.db2.gz RFQWMOLZZXBTES-DNQXCXABSA-N 1 0 458.974 5.866 50 0 JKAARO COc1ccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2ccc(C(C)C)cc2)N2NC=NC2=N3)c(OC)c1 ZINC000009345197 555110914 /nfs/dbraw/zinc/11/09/14/555110914.db2.gz JJGBWEFTVBXQRK-VSGBNLITSA-N 1 0 480.568 5.631 50 0 JKAARO C[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccc(-c4ccccc4)cc3)=NN12 ZINC000009374570 555135888 /nfs/dbraw/zinc/13/58/88/555135888.db2.gz NBZGDSHOBIGUBM-RUZDIDTESA-N 1 0 488.429 6.082 50 0 JKAARO C[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccc(-c4ccccc4)cc3)=NN12 ZINC000009374569 555135904 /nfs/dbraw/zinc/13/59/04/555135904.db2.gz NBZGDSHOBIGUBM-VWLOTQADSA-N 1 0 488.429 6.082 50 0 JKAARO CC[N@H+](CCCNC(=O)c1ccc2c(c1)sc1nc(-c3ccc(F)cc3)cn21)Cc1ccccc1 ZINC000009406585 555167180 /nfs/dbraw/zinc/16/71/80/555167180.db2.gz MMJVJIUQEGBQQZ-UHFFFAOYSA-N 1 0 486.616 5.997 50 0 JKAARO CC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC[C@@H](O)C[NH2+]CCc3ccccc3C)cc21 ZINC000009408669 555171630 /nfs/dbraw/zinc/17/16/30/555171630.db2.gz XKXPPEPKWUNJOT-SANMLTNESA-N 1 0 470.613 5.330 50 0 JKAARO CC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC[C@H](O)C[N@@H+](C)Cc3ccccc3)cc21 ZINC000009409337 555174068 /nfs/dbraw/zinc/17/40/68/555174068.db2.gz HDMFUOCBUOUNAW-RUZDIDTESA-N 1 0 456.586 5.322 50 0 JKAARO CC[C@@H](C)[N@H+](CCCNC(=O)c1cn(-c2ccc(OC)cc2)c(=O)c2ccccc12)Cc1ccco1 ZINC000009433780 555204077 /nfs/dbraw/zinc/20/40/77/555204077.db2.gz IEMIIWIKAPIAGY-OAQYLSRUSA-N 1 0 487.600 5.013 50 0 JKAARO COc1ccc(-n2cc(C(=O)NCCC[N@H+](Cc3ccco3)C3CCCC3)c3ccccc3c2=O)cc1 ZINC000009433778 555204104 /nfs/dbraw/zinc/20/41/04/555204104.db2.gz XGYDOIKHHFCOKE-UHFFFAOYSA-N 1 0 499.611 5.157 50 0 JKAARO C[C@@H]1CCC[N@H+](CCCNC(=O)[C@@H]2c3ccccc3C(=O)N(C3CCCC3)[C@@H]2c2cccs2)C1 ZINC000009433686 555204121 /nfs/dbraw/zinc/20/41/21/555204121.db2.gz DEQKDFCJTIUWLK-LIKDZFNVSA-N 1 0 479.690 5.210 50 0 JKAARO O=C(CSc1ccccc1C(=O)NCc1ccccc1C[NH+]1CCCC1)Nc1ccc(F)cc1 ZINC000009460363 555227978 /nfs/dbraw/zinc/22/79/78/555227978.db2.gz TUNJXMYXQJMJBE-UHFFFAOYSA-N 1 0 477.605 5.082 50 0 JKAARO CC[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccc(OC(F)F)cc3)=NN12 ZINC000009461781 555229940 /nfs/dbraw/zinc/22/99/40/555229940.db2.gz MXUAEZSFZFSINL-HXUWFJFHSA-N 1 0 492.364 5.406 50 0 JKAARO CCC[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccc(Cl)cc3)=NN12 ZINC000009462236 555231058 /nfs/dbraw/zinc/23/10/58/555231058.db2.gz NKEYXPADDRLQDW-NRFANRHFSA-N 1 0 474.830 5.848 50 0 JKAARO CC(C)[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccccc3Cl)=NN12 ZINC000009462262 555231100 /nfs/dbraw/zinc/23/11/00/555231100.db2.gz RSEBQQDARJATKK-NRFANRHFSA-N 1 0 474.830 5.847 50 0 JKAARO CC[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccc(Cl)cc3)=NN12 ZINC000009462755 555231949 /nfs/dbraw/zinc/23/19/49/555231949.db2.gz HWJFWLTWWWYHND-FQEVSTJZSA-N 1 0 460.803 5.458 50 0 JKAARO CC[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccc(Cl)cc3)=NN12 ZINC000009462756 555231974 /nfs/dbraw/zinc/23/19/74/555231974.db2.gz HWJFWLTWWWYHND-HXUWFJFHSA-N 1 0 460.803 5.458 50 0 JKAARO Brc1ccc(C2=NN3[C@@H](C2)c2ccccc2OC32CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000009462940 555232234 /nfs/dbraw/zinc/23/22/34/555232234.db2.gz XLWUHVIYJNABNX-VWLOTQADSA-N 1 0 488.429 5.985 50 0 JKAARO CCOC(=O)[C@@H]1CCC[N@@H+]([C@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)c2ccccc2)C1 ZINC000009494715 555279122 /nfs/dbraw/zinc/27/91/22/555279122.db2.gz JMJTUDCRHYLANB-NOZRDPDXSA-N 1 0 476.642 5.982 50 0 JKAARO Cc1sc(NC(=O)c2ccccc2)c([C@H](c2ccccc2)[NH+]2CCC(Cc3ccccc3)CC2)c1C ZINC000009494713 555279129 /nfs/dbraw/zinc/27/91/29/555279129.db2.gz APAKGBCDWFIINW-PMERELPUSA-N 1 0 494.704 7.661 50 0 JKAARO O=C(C[NH+]1CCC(c2nc3ccccc3s2)CC1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000009497186 555281677 /nfs/dbraw/zinc/28/16/77/555281677.db2.gz UJQDGYVJFLWAGD-QFIPXVFZSA-N 1 0 477.630 5.001 50 0 JKAARO COc1cccc(C2=NN3[C@H](C2)c2cc(C)ccc2OC32CC[NH+](Cc3ccccc3)CC2)c1 ZINC000009498805 555283362 /nfs/dbraw/zinc/28/33/62/555283362.db2.gz PXCQRVNRJXGYLM-HHHXNRCGSA-N 1 0 453.586 5.539 50 0 JKAARO Cc1cccc2c1OC1(CC[NH+](Cc3ccccc3)CC1)N1N=C(c3ccc(Cl)cc3)C[C@@H]21 ZINC000009499030 555283577 /nfs/dbraw/zinc/28/35/77/555283577.db2.gz OFHASLVZYXRIOM-SANMLTNESA-N 1 0 458.005 6.184 50 0 JKAARO CC[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3cc(C)ccc3C)=NN12 ZINC000009499475 555284025 /nfs/dbraw/zinc/28/40/25/555284025.db2.gz ONNVCNWTEDLDFO-JOCHJYFZSA-N 1 0 454.412 5.421 50 0 JKAARO COc1ccc(-c2nc3ccccc3c(NCC3CC[NH+](CCc4ccc(F)cc4)CC3)n2)cc1 ZINC000009527080 555320762 /nfs/dbraw/zinc/32/07/62/555320762.db2.gz UNAUQXAMDCJDSS-UHFFFAOYSA-N 1 0 470.592 5.811 50 0 JKAARO Cc1cccc(-n2cc(-c3ccccc3)c3c2ncnc3N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000009531124 555325962 /nfs/dbraw/zinc/32/59/62/555325962.db2.gz BDERPEQSNRNLFL-UHFFFAOYSA-N 1 0 459.597 5.718 50 0 JKAARO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1ccc(COc2cc(C)ccc2C(C)C)o1 ZINC000009557266 555351636 /nfs/dbraw/zinc/35/16/36/555351636.db2.gz PXJIVYLWDXFQHX-UHFFFAOYSA-N 1 0 488.632 6.234 50 0 JKAARO Cc1ccc2nc(-c3cccnc3)cc(C(=O)N3CC[NH+](C45CC6CC(CC(C6)C4)C5)CC3)c2c1 ZINC000013322436 555376012 /nfs/dbraw/zinc/37/60/12/555376012.db2.gz GXXUPNUWDKMJEK-UHFFFAOYSA-N 1 0 466.629 5.332 50 0 JKAARO O=C(c1cc(-c2ccccn2)nc2ccccc21)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000013321653 555376033 /nfs/dbraw/zinc/37/60/33/555376033.db2.gz VFCBHWZLOLVHQX-UHFFFAOYSA-N 1 0 452.602 5.023 50 0 JKAARO Cc1ccc(C)n1-c1cccnc1-c1ccc(C(=O)NCCC[N@@H+](C)Cc2ccccc2)cc1 ZINC000013356416 555383324 /nfs/dbraw/zinc/38/33/24/555383324.db2.gz PXTSRUHKSURAEK-UHFFFAOYSA-N 1 0 452.602 5.408 50 0 JKAARO Cc1ccc(-c2onc3ccc(C(=O)NCC4CC[NH+](Cc5ccc(F)cc5)CC4)cc32)cc1 ZINC000009581540 555388202 /nfs/dbraw/zinc/38/82/02/555388202.db2.gz OPYUPZHJKNLYND-UHFFFAOYSA-N 1 0 457.549 5.584 50 0 JKAARO O=C(Cn1nc(-c2ccccc2)c2cc(Cl)ccc21)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000013369022 555390841 /nfs/dbraw/zinc/39/08/41/555390841.db2.gz LMUINXMUFUMEOD-UHFFFAOYSA-N 1 0 458.993 5.138 50 0 JKAARO C[C@H](C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000013369280 555391015 /nfs/dbraw/zinc/39/10/15/555391015.db2.gz NIIPTCMLCFXJQK-HSALFYBXSA-N 1 0 453.030 5.402 50 0 JKAARO CC(C)[N@H+](CCCNC(=O)[C@H](C)n1nc(-c2ccccc2)c2cc(Cl)ccc21)Cc1ccccc1 ZINC000013369313 555391071 /nfs/dbraw/zinc/39/10/71/555391071.db2.gz QROUNHWYDMPUBO-QFIPXVFZSA-N 1 0 489.063 6.335 50 0 JKAARO Cn1c2ccccc2c2c1c(=O)n(C1CCCC1)cc2C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000009674028 555398788 /nfs/dbraw/zinc/39/87/88/555398788.db2.gz PPHYAFQNJJZAJZ-UHFFFAOYSA-N 1 0 482.628 5.003 50 0 JKAARO CN1N=C2/C(=C/c3ccc(C(F)(F)F)cc3)C[N@@H+](C)C[C@@H]2[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000013468677 555402101 /nfs/dbraw/zinc/40/21/01/555402101.db2.gz KHYACKNGUMLYGX-VWTPCGADSA-N 1 0 453.430 5.712 50 0 JKAARO O=C(NCCC[NH+]1CCCCC1)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 ZINC000009589369 555402379 /nfs/dbraw/zinc/40/23/79/555402379.db2.gz JKIMWHDQOKFCSZ-UHFFFAOYSA-N 1 0 450.586 5.570 50 0 JKAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 ZINC000009589377 555402407 /nfs/dbraw/zinc/40/24/07/555402407.db2.gz PEEQUAQLXAENKB-NRFANRHFSA-N 1 0 450.586 5.568 50 0 JKAARO CC(C)c1ccc(Nc2cc(C(=O)NCC[N@H+](C)Cc3ccccc3)c3ccccc3n2)cc1 ZINC000009680876 555408840 /nfs/dbraw/zinc/40/88/40/555408840.db2.gz AIOKRFBIKCNWGD-UHFFFAOYSA-N 1 0 452.602 5.964 50 0 JKAARO COc1ccc(-c2nn(-c3ccccc3)cc2C[NH+]2CCC(C(=O)N3CCCCCC3)CC2)cc1 ZINC000009683014 555410572 /nfs/dbraw/zinc/41/05/72/555410572.db2.gz NSPBKUVBZVHFTB-UHFFFAOYSA-N 1 0 472.633 5.163 50 0 JKAARO CCCCCC[C@@](O)(c1ccc(Br)cc1)[C@H](C[NH2+]CCCCO)c1ccccc1 ZINC000013497210 555412883 /nfs/dbraw/zinc/41/28/83/555412883.db2.gz YMKLQAMJYGSGIO-JWQCQUIFSA-N 1 0 462.472 5.753 50 0 JKAARO CC[NH+](CC)CCOC(=O)c1ccc(Nc2c3ccc(Cl)cc3nc3c2CCCC3)cc1 ZINC000009693813 555423316 /nfs/dbraw/zinc/42/33/16/555423316.db2.gz ZBEAQTOLTWWSEX-UHFFFAOYSA-N 1 0 451.998 6.009 50 0 JKAARO CC[NH+](CC)CCOC(=O)c1ccc(Nc2c3cc(Cl)ccc3nc3c2CCCC3)cc1 ZINC000009693769 555423336 /nfs/dbraw/zinc/42/33/36/555423336.db2.gz CJYHEKFLNQVZOU-UHFFFAOYSA-N 1 0 451.998 6.009 50 0 JKAARO COCCn1c(-c2ccc3c(c2)OCO3)c[nH+]c1NCc1ccc(OCc2ccccc2)cc1 ZINC000009601555 555426407 /nfs/dbraw/zinc/42/64/07/555426407.db2.gz LAKXTPHZFUOVHD-UHFFFAOYSA-N 1 0 457.530 5.116 50 0 JKAARO CCCC1=Nc2cc(C(=O)NCCC[N@H+](C)C3CCCCC3)ccc2Sc2ccc(C)cc21 ZINC000009608144 555434922 /nfs/dbraw/zinc/43/49/22/555434922.db2.gz KTQRDKDKTGRXOL-UHFFFAOYSA-N 1 0 463.691 6.765 50 0 JKAARO Cc1nn(C(C)(C)C)c2nc(C)c(CCC(=O)NCC[NH+]3CCC(Cc4ccccc4)CC3)c(C)c12 ZINC000009610311 555440408 /nfs/dbraw/zinc/44/04/08/555440408.db2.gz CIPDTEZKASNNFH-UHFFFAOYSA-N 1 0 489.708 5.115 50 0 JKAARO Cc1nn(-c2ccccc2Cl)c2nc(C)cc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)c12 ZINC000009610387 555440592 /nfs/dbraw/zinc/44/05/92/555440592.db2.gz FFQVKYOQOFVWHO-UHFFFAOYSA-N 1 0 474.008 5.085 50 0 JKAARO COc1ccc(Nc2c3cc(NC(=O)Cc4cccs4)ccc3[nH+]c3c2CCCC3)cc1OC ZINC000009612251 555444765 /nfs/dbraw/zinc/44/47/65/555444765.db2.gz UTMNTGKAIORUIC-UHFFFAOYSA-N 1 0 473.598 6.117 50 0 JKAARO Cc1ccc(Cl)cc1N1CC[NH+](CCCNC(=O)c2cc3c(o2)c2ccccc2nc3C)CC1 ZINC000009612368 555445162 /nfs/dbraw/zinc/44/51/62/555445162.db2.gz YEXSTXQYFFFZKK-UHFFFAOYSA-N 1 0 477.008 5.193 50 0 JKAARO COCCn1c(-c2ccc(F)cc2)c[nH+]c1NCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000009720971 555452844 /nfs/dbraw/zinc/45/28/44/555452844.db2.gz GRZNZHWFQIDFOU-UHFFFAOYSA-N 1 0 453.602 6.248 50 0 JKAARO CC[N@H+](CCCNC(=O)c1cc2c(-c3ccc(Cl)cc3)nn(C)c2s1)Cc1ccccc1 ZINC000009722289 555453943 /nfs/dbraw/zinc/45/39/43/555453943.db2.gz VSJFIYFOOVSZMW-UHFFFAOYSA-N 1 0 467.038 5.597 50 0 JKAARO CCc1ccc(-c2nc(C[NH+]3CCC(C(=O)N[C@H](C)CCc4ccccc4)CC3)c(C)o2)cc1 ZINC000009731761 555468674 /nfs/dbraw/zinc/46/86/74/555468674.db2.gz VPSGAWDKPNOTPP-OAQYLSRUSA-N 1 0 459.634 5.562 50 0 JKAARO CCc1ccc(-c2nc(C[NH+]3CCC(C(=O)NCCCSC4CCCCC4)CC3)c(C)o2)cc1 ZINC000009731766 555468722 /nfs/dbraw/zinc/46/87/22/555468722.db2.gz SYEDQTXRFNSEJM-UHFFFAOYSA-N 1 0 483.722 5.997 50 0 JKAARO Cc1oc(-c2cccc(Cl)c2)nc1C[NH+]1CCC(C(=O)N[C@@H](C)CCc2ccccc2)CC1 ZINC000009731814 555468903 /nfs/dbraw/zinc/46/89/03/555468903.db2.gz RMSBMMXYZAXEDX-IBGZPJMESA-N 1 0 466.025 5.653 50 0 JKAARO Cc1oc(-c2cccc(Cl)c2)nc1C[NH+]1CCC(C(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000009731810 555468908 /nfs/dbraw/zinc/46/89/08/555468908.db2.gz BGYZVKLCNIDUKT-DEOSSOPVSA-N 1 0 464.009 5.709 50 0 JKAARO CCC(=O)N(CC[C@]1(Cc2ccccc2)C[C@H](C)[N@H+](C)C[C@@H]1C)Cc1ccc(OC)c(OC)c1 ZINC000013511037 555482995 /nfs/dbraw/zinc/48/29/95/555482995.db2.gz CVVMLEFCKQGMAH-SBZVUBOMSA-N 1 0 466.666 5.422 50 0 JKAARO COc1ccc(/C=C2/c3ccccc3-c3ccc(C(=O)CCCC[NH+]4CCCCC4)cc32)cc1OC ZINC000013511835 555483549 /nfs/dbraw/zinc/48/35/49/555483549.db2.gz ZGWIGGITTAKIII-RRAHZORUSA-N 1 0 481.636 7.112 50 0 JKAARO Cc1ccc(N2CC[NH+](C[C@@H](O)COc3ccc4cc(Br)ccc4c3)CC2)cc1Cl ZINC000019831902 555505718 /nfs/dbraw/zinc/50/57/18/555505718.db2.gz UUMUORSYBIIBJE-JOCHJYFZSA-N 1 0 489.841 5.126 50 0 JKAARO CCOc1ccccc1N1CCN(C(=O)C2CC[NH+](Cc3cccc(Oc4ccccc4)c3)CC2)CC1 ZINC000009805960 555518673 /nfs/dbraw/zinc/51/86/73/555518673.db2.gz BXUFQZVEAUQHTI-UHFFFAOYSA-N 1 0 499.655 5.438 50 0 JKAARO C[C@@H]1[C@H](c2ccc(Cl)cc2)[NH2+][C@@H](c2ccc(Cl)cc2)[C@@H](C)C1(O)Cc1ccccc1Cl ZINC000013583998 555521301 /nfs/dbraw/zinc/52/13/01/555521301.db2.gz DOEPBBBBSKBRKS-PXHMUHRZSA-N 1 0 474.859 7.278 50 0 JKAARO COc1cc2c(cc1OCc1ccccc1)[C@@H](Cc1ccc(O)c(OCc3ccccc3)c1)[N@H+](C)CC2 ZINC000019877680 555524424 /nfs/dbraw/zinc/52/44/24/555524424.db2.gz MNZMAPURPHGCNO-MUUNZHRXSA-N 1 0 495.619 6.331 50 0 JKAARO Cc1cc(C)c(N2CC[NH+](C[C@@H](O)COc3ccc4cc(Br)ccc4c3)CC2)c(C)c1 ZINC000019879918 555525089 /nfs/dbraw/zinc/52/50/89/555525089.db2.gz WEXJNGPKUPZYFX-XMMPIXPASA-N 1 0 483.450 5.089 50 0 JKAARO Cc1cc(C)c2nc(C(F)(F)F)nc(N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c2c1 ZINC000019880381 555525532 /nfs/dbraw/zinc/52/55/32/555525532.db2.gz UDXFKODATXHQBY-UHFFFAOYSA-N 1 0 476.546 6.177 50 0 JKAARO COc1ccc(C2=NN(C(=O)C[NH+]3CCC(Cc4ccccc4)CC3)[C@H](c3ccc(OC)cc3)C2)cc1 ZINC000013595989 555529166 /nfs/dbraw/zinc/52/91/66/555529166.db2.gz VXCMJAMPXUUFBU-PMERELPUSA-N 1 0 497.639 5.336 50 0 JKAARO Cc1ccc2nc(-c3ccc(N4C(=O)C[C@H]([NH2+][C@H](C)C56CC7CC(CC(C7)C5)C6)C4=O)cc3)sc2c1 ZINC000019890015 555529494 /nfs/dbraw/zinc/52/94/94/555529494.db2.gz IJJLZLDFCWWORM-XOAIVMSYSA-N 1 0 499.680 6.098 50 0 JKAARO FC(F)(F)c1cc(-c2ccco2)nc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000019894413 555532273 /nfs/dbraw/zinc/53/22/73/555532273.db2.gz YEHZMWHOENURBZ-UHFFFAOYSA-N 1 0 464.491 5.667 50 0 JKAARO Cc1cc(NC(=O)CCN2CC[NH+](Cc3cccc4ccccc43)CC2)ccc1Br ZINC000019900044 555535509 /nfs/dbraw/zinc/53/55/09/555535509.db2.gz NPJAMIUKCVLGIS-UHFFFAOYSA-N 1 0 466.423 5.057 50 0 JKAARO O=C(CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)Nc1cc(Cl)ccc1Cl ZINC000019909180 555537062 /nfs/dbraw/zinc/53/70/62/555537062.db2.gz WCTWGSNIQXQOBW-UHFFFAOYSA-N 1 0 454.401 5.339 50 0 JKAARO Cc1onc(C(=O)Nc2c(Br)cc(Br)cc2C[N@@H+](C)C2CCCCC2)c1C ZINC000013641120 555547253 /nfs/dbraw/zinc/54/72/53/555547253.db2.gz ULDLUHYQJSGAMB-UHFFFAOYSA-N 1 0 499.247 5.833 50 0 JKAARO Cc1c2cc3c(cc2oc(=O)c1CCC(=O)NCC(C)(C)C[NH+](C)C)occ3-c1ccc(F)cc1 ZINC000013655925 555555200 /nfs/dbraw/zinc/55/52/00/555555200.db2.gz OELJVILOXGTZHV-UHFFFAOYSA-N 1 0 478.564 5.290 50 0 JKAARO O=c1c2c3c(sc2ncn1C1CCCC1)C[C@H]([NH2+]Cc1csc(Cc2ccccc2)n1)CC3 ZINC000019939831 555557839 /nfs/dbraw/zinc/55/78/39/555557839.db2.gz METFCJHINMHGJC-GOSISDBHSA-N 1 0 476.671 5.268 50 0 JKAARO Cc1cccc(C[NH+]2CCC(CNC(=O)c3cc4c(s3)c3cc(C)ccc3[nH]c4=O)CC2)c1 ZINC000009857697 555558918 /nfs/dbraw/zinc/55/89/18/555558918.db2.gz WYMOBGKZMOCYKK-UHFFFAOYSA-N 1 0 459.615 5.002 50 0 JKAARO O=c1cc(-c2ccc(Cl)cc2)nc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)[nH]1 ZINC000019943520 555561435 /nfs/dbraw/zinc/56/14/35/555561435.db2.gz HSYTYJYSWIDKDZ-UHFFFAOYSA-N 1 0 456.977 5.002 50 0 JKAARO CCC(=O)Nc1ccc(C(=O)CSc2nnc([C@H](C)N3CCCCC3)n2-c2ccc(F)cc2)cc1 ZINC000009949983 555564574 /nfs/dbraw/zinc/56/45/74/555564574.db2.gz DOAMPWALNFXQBI-SFHVURJKSA-N 1 0 495.624 5.277 50 0 JKAARO Cc1ccc(CN2CCSc3ccc(C(=O)NCCC[N@@H+]4CCc5ccccc5C4)cc32)cc1 ZINC000009962584 555565535 /nfs/dbraw/zinc/56/55/35/555565535.db2.gz XCLHZJQXGZLOIH-UHFFFAOYSA-N 1 0 471.670 5.286 50 0 JKAARO Cc1nc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)[nH]c(=O)c1Cc1ccccc1Cl ZINC000019991318 555576556 /nfs/dbraw/zinc/57/65/56/555576556.db2.gz FCLWZKPKKQVWRS-UHFFFAOYSA-N 1 0 485.031 5.234 50 0 JKAARO CCCc1c(=O)[nH]c(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)nc1-c1ccccc1 ZINC000019991302 555576648 /nfs/dbraw/zinc/57/66/48/555576648.db2.gz AKDYACFODAAHCS-UHFFFAOYSA-N 1 0 464.613 5.301 50 0 JKAARO CC(C)c1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C4N=NC(=S)N4CCC[NH+](C)C)cc3N2)cc1 ZINC000020028579 555603818 /nfs/dbraw/zinc/60/38/18/555603818.db2.gz OVCYCJOMHQMVGG-HKUYNNGSSA-N 1 0 493.603 5.166 50 0 JKAARO [NH2+]=C1Nc2nc3ccccc3n2[C@H](c2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc2)N1 ZINC000010059075 555609054 /nfs/dbraw/zinc/60/90/54/555609054.db2.gz KKRHQNSGMQFWRG-WUFINQPMSA-N 1 0 483.579 5.679 50 0 JKAARO CC[NH+](CC)CCN(C(=O)c1cc(Cl)sc1Cl)c1nc2cc3c(cc2s1)OCO3 ZINC000010066871 555614133 /nfs/dbraw/zinc/61/41/33/555614133.db2.gz YEZIOHJMKAMTSO-UHFFFAOYSA-N 1 0 472.419 5.382 50 0 JKAARO S=C(Nc1ccc(Oc2ccccc2)cc1)N(CCC[NH+]1CCCC1)Cc1cccs1 ZINC000020107688 555641956 /nfs/dbraw/zinc/64/19/56/555641956.db2.gz RYVRHHNLLDGBCP-UHFFFAOYSA-N 1 0 451.661 6.225 50 0 JKAARO CC[NH+]1CCN(c2cc(C)c3cc(NC(=O)[C@@H](c4ccccc4)C4CCCC4)ccc3n2)CC1 ZINC000020108625 555643770 /nfs/dbraw/zinc/64/37/70/555643770.db2.gz XUXJPBMTZZLRHL-NDEPHWFRSA-N 1 0 456.634 5.598 50 0 JKAARO Fc1ccc(-c2csc3ncnc(N4CC[NH+](Cc5cccc6ccccc65)CC4)c23)cc1 ZINC000020109635 555645609 /nfs/dbraw/zinc/64/56/09/555645609.db2.gz RCXBUTPTAADTST-UHFFFAOYSA-N 1 0 454.574 5.973 50 0 JKAARO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@H]3c1cc(Br)ccc1OCc1ccccn1 ZINC000020112191 555649381 /nfs/dbraw/zinc/64/93/81/555649381.db2.gz PUORPTODGSKYBQ-QHCPKHFHSA-N 1 0 464.363 5.148 50 0 biogenic JKAARO CC(C)[C@@H](NC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000020116150 555653570 /nfs/dbraw/zinc/65/35/70/555653570.db2.gz ZWUOJRFJVADCIJ-GOICXXFISA-N 1 0 493.736 5.290 50 0 JKAARO O=C(NCCSCc1c(Cl)cccc1Cl)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000020149697 555665311 /nfs/dbraw/zinc/66/53/11/555665311.db2.gz KBTNNRFXVJTXHL-UHFFFAOYSA-N 1 0 485.480 6.215 50 0 JKAARO CC[NH+]1CCN(c2cc(C)c3cc(NC(=S)N[C@@H]4CCCc5ccccc54)ccc3n2)CC1 ZINC000020153645 555673071 /nfs/dbraw/zinc/67/30/71/555673071.db2.gz HBUMPMJNLBRUCT-XMMPIXPASA-N 1 0 459.663 5.049 50 0 JKAARO Cc1cc(N2CC[NH+](C)CC2)nc2ccc(NC(=S)NCC3(c4ccccc4)CCCC3)cc12 ZINC000020153865 555673421 /nfs/dbraw/zinc/67/34/21/555673421.db2.gz RISMAZBZIKNWOR-UHFFFAOYSA-N 1 0 473.690 5.093 50 0 JKAARO CCC[C@H]([NH2+]Cc1c(C)n(Cc2ccc(Cl)cc2Cl)c2ccccc12)c1ccccc1 ZINC000010315459 555682236 /nfs/dbraw/zinc/68/22/36/555682236.db2.gz VSJOGYJEPHUZBW-SANMLTNESA-N 1 0 451.441 7.936 50 0 JKAARO CC1=Nc2cc(C(=O)NCCC[NH+]3C[C@@H](C)C[C@H](C)C3)ccc2Sc2ccc(Cl)cc21 ZINC000020178879 555684444 /nfs/dbraw/zinc/68/44/44/555684444.db2.gz MEXZJMPUGNKWBQ-IRXDYDNUSA-N 1 0 456.055 6.043 50 0 JKAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccc3c(c2)N(C)C(=O)/C(=C/c2cccc(Cl)c2)S3)C1 ZINC000020179884 555685785 /nfs/dbraw/zinc/68/57/85/555685785.db2.gz KUZDAWGVCLCHET-MQLUCGEPSA-N 1 0 498.092 5.547 50 0 JKAARO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2ccc3c(c2)N(C)C(=O)/C(=C/c2ccccc2Cl)S3)C1 ZINC000020180386 555686668 /nfs/dbraw/zinc/68/66/68/555686668.db2.gz YMZJPDHUGGCWLL-UDHVIVJUSA-N 1 0 498.092 5.547 50 0 JKAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)CN1C(=O)/C(=C\c2cccc(Cl)c2)Sc2ccccc21 ZINC000020181071 555687554 /nfs/dbraw/zinc/68/75/54/555687554.db2.gz XABHOGZZVIXSHH-BOJFNEGLSA-N 1 0 498.092 5.591 50 0 JKAARO C[C@@H]1CCC[N@H+](CCCNC(=O)CN2C(=O)/C(=C\c3cccc(Cl)c3)Sc3ccccc32)C1 ZINC000020181103 555687999 /nfs/dbraw/zinc/68/79/99/555687999.db2.gz AASRPAGITDVGKH-GXDFBKAQSA-N 1 0 484.065 5.058 50 0 JKAARO CC1CC[NH+](CCCNC(=O)CN2C(=O)/C(=C\c3ccc(Cl)cc3)Sc3ccccc32)CC1 ZINC000020181375 555688202 /nfs/dbraw/zinc/68/82/02/555688202.db2.gz CHFCXAJMKGCJLU-JJIBRWJFSA-N 1 0 484.065 5.058 50 0 JKAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)CN1c2ccccc2S/C(=C/c2ccc(C)cc2)C1=O ZINC000020181279 555688228 /nfs/dbraw/zinc/68/82/28/555688228.db2.gz UHJMRFHPFJXKQV-GJFYNSNLSA-N 1 0 477.674 5.246 50 0 JKAARO COc1ccccc1NC(=O)c1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(-c3ccccc3)cc2)cc1 ZINC000014138661 555704999 /nfs/dbraw/zinc/70/49/99/555704999.db2.gz WBEPZIWAKIORLO-NRFANRHFSA-N 1 0 479.580 5.904 50 0 JKAARO CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)ccc1Cl ZINC000014140179 555705938 /nfs/dbraw/zinc/70/59/38/555705938.db2.gz SAWKPYXMJZZDOF-UHFFFAOYSA-N 1 0 492.085 5.387 50 0 JKAARO Cc1oc(-c2ccc(Cl)cc2)nc1C[N@H+]1CCC[C@H](C(=O)N[C@H](C)CCc2ccccc2)C1 ZINC000020240863 555736113 /nfs/dbraw/zinc/73/61/13/555736113.db2.gz DMHYDHSMSSMSFU-XXBNENTESA-N 1 0 466.025 5.653 50 0 JKAARO Cc1oc(-c2ccc(Cl)cc2)nc1C[NH+]1CCC(C(=O)N[C@H](C)CCc2ccccc2)CC1 ZINC000020240734 555736169 /nfs/dbraw/zinc/73/61/69/555736169.db2.gz ZXMCHSCOXMYSFV-LJQANCHMSA-N 1 0 466.025 5.653 50 0 JKAARO Cc1oc(-c2ccc(Cl)cc2)nc1C[N@H+]1CCC[C@H](C(=O)N[C@@H](C)CCc2ccccc2)C1 ZINC000020240861 555736175 /nfs/dbraw/zinc/73/61/75/555736175.db2.gz DMHYDHSMSSMSFU-CVDCTZTESA-N 1 0 466.025 5.653 50 0 JKAARO Cc1oc(-c2ccc(Cl)cc2)nc1C[N@H+]1CCC[C@@H](C(=O)N[C@@H](C)CCc2ccccc2)C1 ZINC000020240858 555736206 /nfs/dbraw/zinc/73/62/06/555736206.db2.gz DMHYDHSMSSMSFU-WMZHIEFXSA-N 1 0 466.025 5.653 50 0 JKAARO O=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1cc2c(s1)c1ccccc1nc2Cl ZINC000020286131 555754732 /nfs/dbraw/zinc/75/47/32/555754732.db2.gz IDIJPWCOSWJYFE-UHFFFAOYSA-N 1 0 499.467 5.698 50 0 JKAARO Cc1ccc2nc(Cl)c3cc(C(=O)NC4CC[NH+](Cc5ccccc5)CC4)sc3c2c1 ZINC000020321469 555770448 /nfs/dbraw/zinc/77/04/48/555770448.db2.gz QCYLPOGNNJBUGV-UHFFFAOYSA-N 1 0 450.007 5.806 50 0 JKAARO COc1ccc(Nc2c3cc(NC(=O)c4cccnc4Cl)ccc3[nH+]c3c2CCCC3)cc1OC ZINC000020322064 555770878 /nfs/dbraw/zinc/77/08/78/555770878.db2.gz VIWOZZMYCLLTMP-UHFFFAOYSA-N 1 0 488.975 6.175 50 0 JKAARO COc1ccccc1Nc1c2cc(NC(=O)/C(C)=C\c3ccccc3)ccc2[nH+]c2c1CCCC2 ZINC000020322047 555770911 /nfs/dbraw/zinc/77/09/11/555770911.db2.gz HGALTVMPDGRSAJ-ZZEZOPTASA-N 1 0 463.581 6.908 50 0 JKAARO O=c1c2c(ncn1CCCc1ccccc1)sc1c2CC[C@@H]([NH2+]Cc2cc(F)ccc2F)C1 ZINC000020352166 555780346 /nfs/dbraw/zinc/78/03/46/555780346.db2.gz UONFQIYLUFEQDK-HXUWFJFHSA-N 1 0 465.569 5.016 50 0 JKAARO Cc1cccc(/C=C2/Sc3ccc(C(=O)NCCC[N@H+]4C[C@H](C)C[C@H](C)C4)cc3NC2=O)c1 ZINC000020355290 555782992 /nfs/dbraw/zinc/78/29/92/555782992.db2.gz IPCMMRUQCCKFLM-DZIBZFBXSA-N 1 0 463.647 5.178 50 0 JKAARO CCCC[NH+](CCCC)CCCNC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1ccc(C)cc1)S2 ZINC000020355330 555783019 /nfs/dbraw/zinc/78/30/19/555783019.db2.gz SIOJQXHPUBQGCF-LGUFXXKBSA-N 1 0 479.690 6.102 50 0 JKAARO Cc1c(C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)oc2ccc3c(c12)[C@H](O)CC1(CCCCC1)O3 ZINC000020413317 555790655 /nfs/dbraw/zinc/79/06/55/555790655.db2.gz LKLJFAMXVBICDY-SFHLNBCPSA-N 1 0 468.638 5.358 50 0 biogenic JKAARO CCCOc1cccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCC[NH+](CC)CC)c1 ZINC000011614731 555791226 /nfs/dbraw/zinc/79/12/26/555791226.db2.gz QEBYDDLLANLDAE-VWLOTQADSA-N 1 0 462.590 5.167 50 0 JKAARO CCCOc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CC[NH+](CC)CC)cc1OC ZINC000011614714 555791230 /nfs/dbraw/zinc/79/12/30/555791230.db2.gz JGVSAASEEBLNCC-XMMPIXPASA-N 1 0 499.007 5.131 50 0 JKAARO Cc1ccc(C)c(C[NH+]2CCC(CNC(=O)[C@@H](c3ccccc3)N3Cc4ccccc4C3=O)CC2)c1 ZINC000020531114 555798690 /nfs/dbraw/zinc/79/86/90/555798690.db2.gz NZRQDYNQCOTUEV-GDLZYMKVSA-N 1 0 481.640 5.029 50 0 JKAARO COc1ccc(NC(=O)N[C@H](CCC(C)C)c2c3c(sc2-n2cccc2)C[N@@H+](C)CC3)cc1OC ZINC000020532154 555800435 /nfs/dbraw/zinc/80/04/35/555800435.db2.gz PPOPYDUXXZFXLX-OAQYLSRUSA-N 1 0 496.677 5.843 50 0 JKAARO COc1ccc(OC)c(NC(=O)N[C@H](CCC(C)C)c2c3c(sc2-n2cccc2)C[N@@H+](C)CC3)c1 ZINC000020532156 555800449 /nfs/dbraw/zinc/80/04/49/555800449.db2.gz WWPOPDRROSZVJX-OAQYLSRUSA-N 1 0 496.677 5.843 50 0 JKAARO CC(C)CC[C@H](NC(=O)Nc1ccc(Cl)cc1)c1c2c(sc1-n1cccc1)C[N@@H+](C)CC2 ZINC000020532146 555800453 /nfs/dbraw/zinc/80/04/53/555800453.db2.gz MOXWSKNIUXTAPZ-NRFANRHFSA-N 1 0 471.070 6.479 50 0 JKAARO CCc1ccc(NC(=O)N[C@H](CCC(C)C)c2c3c(sc2-n2cccc2)C[N@@H+](C)CC3)cc1 ZINC000020532144 555800473 /nfs/dbraw/zinc/80/04/73/555800473.db2.gz ZHCQOZQSKJVUBU-HSZRJFAPSA-N 1 0 464.679 6.388 50 0 JKAARO Cc1ccc(Cl)cc1NC(=O)N[C@@H](CCC(C)C)c1c2c(sc1-n1cccc1)C[N@@H+](C)CC2 ZINC000020532162 555800504 /nfs/dbraw/zinc/80/05/04/555800504.db2.gz XLUIAQNQOMKVGJ-NRFANRHFSA-N 1 0 485.097 6.788 50 0 JKAARO COc1ccc(OC)c(NC(=O)N[C@@H](CCC(C)C)c2c3c(sc2-n2cccc2)C[N@@H+](C)CC3)c1 ZINC000020532155 555800523 /nfs/dbraw/zinc/80/05/23/555800523.db2.gz WWPOPDRROSZVJX-NRFANRHFSA-N 1 0 496.677 5.843 50 0 JKAARO CC(C)CC[C@@H](NC(=O)Nc1ccc(Cl)cc1)c1c2c(sc1-n1cccc1)C[N@@H+](C)CC2 ZINC000020532145 555800526 /nfs/dbraw/zinc/80/05/26/555800526.db2.gz MOXWSKNIUXTAPZ-OAQYLSRUSA-N 1 0 471.070 6.479 50 0 JKAARO CCOc1ccccc1NC(=O)N[C@@H](CCC(C)C)c1c2c(sc1-n1cccc1)C[N@@H+](C)CC2 ZINC000020532165 555800544 /nfs/dbraw/zinc/80/05/44/555800544.db2.gz YEAOGRYJZRIBSZ-QFIPXVFZSA-N 1 0 480.678 6.224 50 0 JKAARO COc1cc(NC(=O)N[C@H](CCC(C)C)c2c3c(sc2-n2cccc2)C[N@@H+](C)CC3)cc(OC)c1 ZINC000020532174 555800766 /nfs/dbraw/zinc/80/07/66/555800766.db2.gz MNOBFYRPTLGTRT-HSZRJFAPSA-N 1 0 496.677 5.843 50 0 JKAARO CC(C)CC[C@@H](NC(=O)NC12CC3CC(CC(C3)C1)C2)c1c2c(sc1-n1cccc1)C[N@@H+](C)CC2 ZINC000020532179 555800921 /nfs/dbraw/zinc/80/09/21/555800921.db2.gz FSXBQUVZGIXUSM-UBMWJQISSA-N 1 0 494.749 6.272 50 0 JKAARO CC[N@@H+]1CCc2c(sc(-n3cccc3)c2[C@@H](CCC(C)C)NC(=O)Nc2ccc(C)cc2)C1 ZINC000020532193 555801006 /nfs/dbraw/zinc/80/10/06/555801006.db2.gz BOQXNPXCWGTCRX-HSZRJFAPSA-N 1 0 464.679 6.524 50 0 JKAARO CC[C@@H](NC(=O)NC12CC3CC(CC(C3)C1)C2)c1c2c(sc1-n1cccc1)C[N@@H+](CC)CC2 ZINC000020532225 555801334 /nfs/dbraw/zinc/80/13/34/555801334.db2.gz FVAAKADINJPUAO-WZJJSRHISA-N 1 0 466.695 5.636 50 0 JKAARO CC[C@H](NC(=O)NC12CC3CC(CC(C3)C1)C2)c1c2c(sc1-n1cccc1)C[N@@H+](CC)CC2 ZINC000020532226 555801341 /nfs/dbraw/zinc/80/13/41/555801341.db2.gz FVAAKADINJPUAO-RRNJLGJUSA-N 1 0 466.695 5.636 50 0 JKAARO CC[N@@H+]1CCc2c(sc(-n3cccc3)c2[C@H](C)NC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000020532242 555801348 /nfs/dbraw/zinc/80/13/48/555801348.db2.gz QNNJYOGLWGRLSL-HNNXBMFYSA-N 1 0 462.541 5.818 50 0 JKAARO CCOc1ccccc1NC(=O)N[C@H](CC)c1c2c(sc1-n1cccc1)C[N@@H+](CC)CC2 ZINC000020532218 555801387 /nfs/dbraw/zinc/80/13/87/555801387.db2.gz NNYOCIVDPRSJKI-LJQANCHMSA-N 1 0 452.624 5.588 50 0 JKAARO COc1ccc(NC(=O)N(Cc2ccc3c(c2)OCO3)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000020532293 555801656 /nfs/dbraw/zinc/80/16/56/555801656.db2.gz XBCOFNPPTJSCOK-UHFFFAOYSA-N 1 0 473.573 5.123 50 0 JKAARO CC[N@H+](CCCNC(=O)c1nc(-c2ccc(Cl)cc2)n2c1CCCCC2)Cc1ccccc1 ZINC000020556897 555808542 /nfs/dbraw/zinc/80/85/42/555808542.db2.gz IKYNDYIQBDPSNW-UHFFFAOYSA-N 1 0 465.041 5.572 50 0 JKAARO OCC1(Cc2cccc(C(F)(F)F)c2)CC[NH+](Cc2ccc([C@@H]3CCCCO3)s2)CC1 ZINC000011766305 555811814 /nfs/dbraw/zinc/81/18/14/555811814.db2.gz XKARCXNHKOJELE-NRFANRHFSA-N 1 0 453.570 5.826 50 0 JKAARO CN1C(=O)N(CCc2ccccc2)C(=O)C12CC[NH+](Cc1ccc(-c3ccccc3Cl)o1)CC2 ZINC000014532167 555819561 /nfs/dbraw/zinc/81/95/61/555819561.db2.gz NBTXIWKANBAQSA-UHFFFAOYSA-N 1 0 477.992 5.071 50 0 JKAARO O=C1N(Cc2ccccc2)C(=O)C2(CC[NH+](Cc3ccc(F)c(F)c3)CC2)N1CCc1ccccc1 ZINC000014532268 555820004 /nfs/dbraw/zinc/82/00/04/555820004.db2.gz MISKBMRRLQIYDQ-UHFFFAOYSA-N 1 0 489.566 5.007 50 0 JKAARO Cc1ccccc1-c1ccc(C[NH+]2CCC3(CC2)C(=O)N(C)C(=O)N3Cc2ccccc2)cc1 ZINC000014534820 555823703 /nfs/dbraw/zinc/82/37/03/555823703.db2.gz FQWXETLJBLEZMT-UHFFFAOYSA-N 1 0 453.586 5.091 50 0 JKAARO O=C(NCc1cccc(C(F)(F)F)c1)[C@H]1CC12CC[NH+](Cc1c[nH]nc1-c1ccccc1)CC2 ZINC000011789691 555824948 /nfs/dbraw/zinc/82/49/48/555824948.db2.gz DVOJCDQCOPDZJD-JOCHJYFZSA-N 1 0 468.523 5.014 50 0 JKAARO COc1ccc(F)c(C[NH+]2CCC([C@@H](Cc3ccccc3)N(C)C(=O)c3ccoc3C)CC2)c1 ZINC000011813053 555828772 /nfs/dbraw/zinc/82/87/72/555828772.db2.gz VBEHNNQJVGSNMH-HHHXNRCGSA-N 1 0 464.581 5.331 50 0 JKAARO CC(C)c1ccc(C[NH+]2CCC3(CC2)C(=O)N(Cc2cccnc2)C(=O)N3CCc2ccccc2)cc1 ZINC000014540290 555830444 /nfs/dbraw/zinc/83/04/44/555830444.db2.gz ACLSRAWDHVQRBH-UHFFFAOYSA-N 1 0 496.655 5.247 50 0 JKAARO COc1cc(C[NH+]2CCC(C(=O)Nc3ccc(Oc4ccccc4F)cc3)CC2)ccc1O ZINC000011818460 555831068 /nfs/dbraw/zinc/83/10/68/555831068.db2.gz ALFDJWYSOXPXHG-UHFFFAOYSA-N 1 0 450.510 5.183 50 0 JKAARO COc1ccc(C[NH+]2CCC(C(=O)Nc3cccc(-c4cccc(Cl)c4)c3)CC2)cc1O ZINC000011817078 555831083 /nfs/dbraw/zinc/83/10/83/555831083.db2.gz IUTPUWWHMIMGLU-UHFFFAOYSA-N 1 0 450.966 5.572 50 0 JKAARO CCN1C(=O)N(Cc2cccc3ccccc32)C(=O)C12CC[NH+](Cc1c[nH]c3ccccc13)CC2 ZINC000014542852 555833724 /nfs/dbraw/zinc/83/37/24/555833724.db2.gz BQMHEUVRKPIEKP-UHFFFAOYSA-N 1 0 466.585 5.140 50 0 JKAARO CCC[NH+]1CCN(CCCNC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(Cl)cc2)CC1 ZINC000020597584 555839330 /nfs/dbraw/zinc/83/93/30/555839330.db2.gz CLQTTZQIAJVPBW-UHFFFAOYSA-N 1 0 481.084 5.107 50 0 JKAARO CCCC[N@H+](CCNC(=O)c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2)Cc1ccco1 ZINC000020597936 555840340 /nfs/dbraw/zinc/84/03/40/555840340.db2.gz ONBORKGHTJRIHH-UHFFFAOYSA-N 1 0 488.632 5.148 50 0 JKAARO O=c1c2c(ncn1Cc1ccc(F)cc1)sc1c2CC[C@H]([NH2+]Cc2cccc(C(F)(F)F)c2)C1 ZINC000020598643 555840654 /nfs/dbraw/zinc/84/06/54/555840654.db2.gz ZNUCXASWZGDLFQ-IBGZPJMESA-N 1 0 487.522 5.311 50 0 JKAARO O=C(CC1CCCC1)N1CCC[C@H](COc2ccc(C[NH+]3CCN(c4ccccc4)CC3)cc2)C1 ZINC000014998488 555842990 /nfs/dbraw/zinc/84/29/90/555842990.db2.gz VVJITDCEMPBRTE-MHZLTWQESA-N 1 0 475.677 5.207 50 0 JKAARO Cc1cc(C)n(CCC(=O)N(CC[NH+](C)C)Cc2cc3cccc(C)c3nc2-c2cccc(C)c2)n1 ZINC000014998619 555843018 /nfs/dbraw/zinc/84/30/18/555843018.db2.gz GCZZDTVFYMVXQK-UHFFFAOYSA-N 1 0 483.660 5.312 50 0 JKAARO O=C(CCc1ccccc1)Nc1ccc(N2CCC([NH2+]CCc3c[nH]c4ccccc34)CC2)cc1 ZINC000014999958 555844705 /nfs/dbraw/zinc/84/47/05/555844705.db2.gz PIGGKQIHTBOXQB-UHFFFAOYSA-N 1 0 466.629 5.540 50 0 JKAARO COc1ccccc1CCNC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(-c3ccccc3)cc1)CC2 ZINC000011868470 555845167 /nfs/dbraw/zinc/84/51/67/555845167.db2.gz CCRUUYDJSHKJRC-MHZLTWQESA-N 1 0 454.614 5.323 50 0 JKAARO O=C1CC[C@@H]2C[N@H+](Cc3ccc4c(c3)OCO4)CC[C@@H]2N1CCC(c1ccccc1)c1ccccc1 ZINC000011880152 555847984 /nfs/dbraw/zinc/84/79/84/555847984.db2.gz HXXMDQAMHIDMDX-IAPPQJPRSA-N 1 0 482.624 5.450 50 0 JKAARO CC(C)C[NH+]1CCC(O)(c2ccc3oc(C(=O)N4CCC[C@H](c5ccccc5)CC4)cc3c2)CC1 ZINC000015003668 555848651 /nfs/dbraw/zinc/84/86/51/555848651.db2.gz QKRDGUZVVPWXRH-DEOSSOPVSA-N 1 0 474.645 5.782 50 0 JKAARO O=C(c1ccc(N2CCC([NH2+]Cc3nc4ccccc4s3)CC2)cc1)N1CCc2ccccc2C1 ZINC000015004050 555849158 /nfs/dbraw/zinc/84/91/58/555849158.db2.gz KLMPTFWQKSPOIV-UHFFFAOYSA-N 1 0 482.653 5.253 50 0 JKAARO CC[NH+](CC)Cc1cc(-c2ccc3c(c2)OCO3)ccc1OCC(=O)N[C@H](C)c1cccs1 ZINC000011881270 555849507 /nfs/dbraw/zinc/84/95/07/555849507.db2.gz NZAAMRSRCIJTPM-GOSISDBHSA-N 1 0 466.603 5.242 50 0 JKAARO C[N@H+](Cc1cccs1)Cc1ccc(OCC[C@@H]2CCCCN2C(=O)c2ccc3ccccc3n2)cc1 ZINC000011909840 555856978 /nfs/dbraw/zinc/85/69/78/555856978.db2.gz BNAZRCAGTPOJSG-VWLOTQADSA-N 1 0 499.680 6.392 50 0 JKAARO Cc1cccc(N2CC[N@@H+](CCCNC(=O)c3cc(-c4cccnc4)nc4ccc(C)cc43)C[C@H]2C)c1 ZINC000021934837 555857513 /nfs/dbraw/zinc/85/75/13/555857513.db2.gz YJDJMRALABLPBK-XMMPIXPASA-N 1 0 493.655 5.244 50 0 JKAARO COc1ccc(F)c(C[NH+]2CCC([C@H](Cc3ccc(F)cc3F)N(C)C(=O)c3ccco3)CC2)c1 ZINC000011910513 555858041 /nfs/dbraw/zinc/85/80/41/555858041.db2.gz BWJCEQDIJFSSCS-VWLOTQADSA-N 1 0 486.534 5.301 50 0 JKAARO COc1cccc(-n2c(SC[C@H]3CCCO3)nnc2C2CC[NH+](Cc3ccc(C)cc3C)CC2)c1 ZINC000011913189 555862716 /nfs/dbraw/zinc/86/27/16/555862716.db2.gz SFRYZISLLSOZDS-AREMUKBSSA-N 1 0 492.689 5.543 50 0 JKAARO COc1cccc(-n2c(SC[C@@H]3CCCO3)nnc2C2CC[NH+](Cc3ccc(C)cc3C)CC2)c1 ZINC000011913188 555862851 /nfs/dbraw/zinc/86/28/51/555862851.db2.gz SFRYZISLLSOZDS-SANMLTNESA-N 1 0 492.689 5.543 50 0 JKAARO Cc1ccccc1-c1ccc(C[NH+]2CCC3(C[C@@H]3C(=O)NCCCc3ccncc3)CC2)cc1 ZINC000011913402 555862928 /nfs/dbraw/zinc/86/29/28/555862928.db2.gz VJHBRZKQUUZZDF-MUUNZHRXSA-N 1 0 453.630 5.408 50 0 JKAARO Cc1cccc(C[NH+]2CCC3(C[C@H]3C(=O)NCCC(c3ccccc3)c3ccccc3)CC2)n1 ZINC000011913589 555863486 /nfs/dbraw/zinc/86/34/86/555863486.db2.gz AJSLKWCFUGWOGB-NDEPHWFRSA-N 1 0 453.630 5.331 50 0 JKAARO O=c1[nH]c(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)nc2cc(C(F)(F)F)ccc21 ZINC000022030228 555864556 /nfs/dbraw/zinc/86/45/56/555864556.db2.gz JQGPOIBJWPRIOI-UHFFFAOYSA-N 1 0 478.518 5.261 50 0 JKAARO Cc1cc(C)n(-c2ccc(F)cc2C[NH+]2CCC(CO)(Cc3cccc(C(F)(F)F)c3)CC2)n1 ZINC000015067305 555867481 /nfs/dbraw/zinc/86/74/81/555867481.db2.gz UKYQMOLBGZEADQ-UHFFFAOYSA-N 1 0 475.530 5.464 50 0 JKAARO Fc1ccc(CSc2nnc(C3CC[NH+](Cc4ccccc4F)CC3)n2C[C@H]2CCCO2)cc1 ZINC000015067260 555867498 /nfs/dbraw/zinc/86/74/98/555867498.db2.gz MNTSCVQFCWJPIV-HSZRJFAPSA-N 1 0 484.616 5.407 50 0 JKAARO O=C1CC[C@@H]2C[N@H+](C/C=C/c3ccco3)CC[C@@H]2N1CCC(c1ccccc1)c1ccccc1 ZINC000015069338 555869090 /nfs/dbraw/zinc/86/90/90/555869090.db2.gz RAHMIVBCKZUGIM-AXONLZNWSA-N 1 0 454.614 5.828 50 0 JKAARO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(CSc4nc5ccccc5[nH]4)cc3)c(C)c2)CC1 ZINC000022067881 555869317 /nfs/dbraw/zinc/86/93/17/555869317.db2.gz FHTBXVJSDQYCML-UHFFFAOYSA-N 1 0 485.657 5.558 50 0 JKAARO C[NH2+]C1CCC(N(Cc2cccc(-c3ccncc3)c2)C(=O)c2sc3ccccc3c2Cl)CC1 ZINC000022066467 555869340 /nfs/dbraw/zinc/86/93/40/555869340.db2.gz VFSUUTYAEQOIMW-UHFFFAOYSA-N 1 0 490.072 6.790 50 0 in-vitro JKAARO Cc1cc(C)n(CCC[NH+]2CCC(C(=O)Nc3cccc(-c4cccc(Cl)c4)c3)CC2)n1 ZINC000015075617 555872002 /nfs/dbraw/zinc/87/20/02/555872002.db2.gz LJBSNORTWPGJIY-UHFFFAOYSA-N 1 0 451.014 5.561 50 0 JKAARO COc1cc(C[NH+]2CCC(c3nc(C(F)(F)F)ncc3-c3cccc(F)c3)CC2)cc(OC)c1 ZINC000011968791 555872957 /nfs/dbraw/zinc/87/29/57/555872957.db2.gz ZAVZIEIEEHOZJA-UHFFFAOYSA-N 1 0 475.486 5.698 50 0 JKAARO Cc1occc1C(=O)N(C)[C@@H](Cc1ccccc1F)C1CC[NH+](Cc2cccc3nccnc23)CC1 ZINC000011982981 555877247 /nfs/dbraw/zinc/87/72/47/555877247.db2.gz KCEMGULIHRKBFC-MHZLTWQESA-N 1 0 486.591 5.266 50 0 JKAARO COc1ccccc1CC[NH2+][C@@H]1CCc2c(sc3ncn(CCc4ccccc4Cl)c(=O)c23)C1 ZINC000012003503 555882696 /nfs/dbraw/zinc/88/26/96/555882696.db2.gz ZKXFSIRKRSTKSJ-HXUWFJFHSA-N 1 0 494.060 5.052 50 0 JKAARO COc1cccc(C[NH+]2CCC([C@H](Cc3ccc(F)cc3F)N(C)C(=O)c3ccco3)CC2)c1OC ZINC000012001775 555882702 /nfs/dbraw/zinc/88/27/02/555882702.db2.gz GFTJQBQLOSAPID-DEOSSOPVSA-N 1 0 498.570 5.171 50 0 JKAARO COc1ccc(OC)c(C[NH+]2CCC([C@@H](Cc3ccccc3Cl)N(C)C(=O)c3ccco3)CC2)c1 ZINC000012037595 555890657 /nfs/dbraw/zinc/89/06/57/555890657.db2.gz SXBIDSNZTIRJRA-RUZDIDTESA-N 1 0 497.035 5.546 50 0 JKAARO COc1cccc(C[NH+]2CCC(c3nnc(SCC4CCCCC4)n3C[C@H]3CCCO3)CC2)c1 ZINC000012038522 555891609 /nfs/dbraw/zinc/89/16/09/555891609.db2.gz UPOZOZAFRLTFSN-RUZDIDTESA-N 1 0 484.710 5.518 50 0 JKAARO O=C(OC[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1nn2c(nc(-c3ccco3)cc2C(F)(F)F)c1Cl ZINC000015276483 555891922 /nfs/dbraw/zinc/89/19/22/555891922.db2.gz ISTQUAPICYMORV-HIFRSBDPSA-N 1 0 482.890 5.083 50 0 JKAARO COC(=O)c1ccc(C[NH+]2CCC3(C[C@@H]3C(=O)NCCC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000012040510 555893125 /nfs/dbraw/zinc/89/31/25/555893125.db2.gz PKTWVVAGQWMQJI-GDLZYMKVSA-N 1 0 496.651 5.414 50 0 JKAARO Cc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)OC[C@H]4CCC[N@@H+]5CCCC[C@@H]45)c3n2)cc1 ZINC000015319748 555897509 /nfs/dbraw/zinc/89/75/09/555897509.db2.gz CEBFMSUINKFTEF-NQIIRXRSSA-N 1 0 472.511 5.145 50 0 JKAARO COc1cccc(-n2c(SC[C@H]3CCCO3)nnc2C2CC[NH+](CC3CCCCC3)CC2)c1 ZINC000012079492 555902781 /nfs/dbraw/zinc/90/27/81/555902781.db2.gz DEVDPQFCFCDYQY-XMMPIXPASA-N 1 0 470.683 5.307 50 0 JKAARO C[N@@H+]1CCC[C@H](COc2cc(-c3cccc(Cl)c3)cc3c2OCCN(C(=O)c2cccnc2)C3)C1 ZINC000012097155 555904681 /nfs/dbraw/zinc/90/46/81/555904681.db2.gz WYTQCLIBVFXFQD-FQEVSTJZSA-N 1 0 492.019 5.157 50 0 JKAARO COc1ccc2cc([C@H](C)N3C(=O)CC[C@H]3CC[NH2+]CCOc3ccc(F)cc3)ccc2c1 ZINC000012099526 555907021 /nfs/dbraw/zinc/90/70/21/555907021.db2.gz OQJZEATXYIUCLL-CYFREDJKSA-N 1 0 450.554 5.098 50 0 JKAARO COc1ccc2cc([C@@H](C)N3C(=O)CC[C@H]3CC[NH2+]CCOc3ccc(F)cc3)ccc2c1 ZINC000012099525 555907049 /nfs/dbraw/zinc/90/70/49/555907049.db2.gz OQJZEATXYIUCLL-DVECYGJZSA-N 1 0 450.554 5.098 50 0 JKAARO COc1cc(C[NH+]2CCC([C@H](Cc3ccccc3)N(C)C(=O)c3cccs3)CC2)cc(OC)c1 ZINC000012099897 555907410 /nfs/dbraw/zinc/90/74/10/555907410.db2.gz AFURXSXDBNNEGN-SANMLTNESA-N 1 0 478.658 5.361 50 0 JKAARO CN(C(=O)c1ccco1)[C@H](Cc1ccccc1Cl)C1CC[NH+](Cc2cccc3ncccc23)CC1 ZINC000012122482 555909631 /nfs/dbraw/zinc/90/96/31/555909631.db2.gz YHGHACBJMIJUEI-HHHXNRCGSA-N 1 0 488.031 6.077 50 0 JKAARO COc1ccccc1C[NH+]1CCC([C@H](Cc2ccccc2F)N(C)C(=O)c2cccs2)CC1 ZINC000012133957 555912692 /nfs/dbraw/zinc/91/26/92/555912692.db2.gz JBBVNUBOYFOKHD-DEOSSOPVSA-N 1 0 466.622 5.491 50 0 JKAARO CCOc1cccc2sc(N(CC[NH+](CC)CC)C(=O)c3ccc4ncsc4c3)nc21 ZINC000012140865 555919815 /nfs/dbraw/zinc/91/98/15/555919815.db2.gz QNWNZYMVKYZFIS-UHFFFAOYSA-N 1 0 454.621 5.293 50 0 JKAARO CC[NH+](CC)CCN(C(=O)c1cccc2ccccc21)c1nc2c(s1)c(OC)ccc2OC ZINC000012140909 555920078 /nfs/dbraw/zinc/92/00/78/555920078.db2.gz LOTNNLZTFDHOGF-UHFFFAOYSA-N 1 0 463.603 5.455 50 0 JKAARO CC[NH+](CC)CCN(C(=O)c1ccc(Cc2ccccc2)cc1)c1nc2c(ccc(C)c2C)s1 ZINC000012140896 555920112 /nfs/dbraw/zinc/92/01/12/555920112.db2.gz KNSDXOPPCLSQHS-UHFFFAOYSA-N 1 0 471.670 6.493 50 0 JKAARO CCOc1cccc2sc(N(CCC[NH+](C)C)C(=O)c3ccc(Br)s3)nc21 ZINC000012140983 555920414 /nfs/dbraw/zinc/92/04/14/555920414.db2.gz BUGIWWZZQDHLHZ-UHFFFAOYSA-N 1 0 468.442 5.118 50 0 JKAARO COc1cccc2sc(N(CCC[NH+](C)C)C(=O)c3cccc(Oc4ccccc4)c3)nc21 ZINC000012140981 555920452 /nfs/dbraw/zinc/92/04/52/555920452.db2.gz UMKLLQDJAADQAO-UHFFFAOYSA-N 1 0 461.587 5.696 50 0 JKAARO C[N@H+](Cc1ccc(OC[C@@H]2CCCN(C(=O)Cc3ccsc3)C2)cc1)Cc1cccc2ccccc21 ZINC000012148888 555920658 /nfs/dbraw/zinc/92/06/58/555920658.db2.gz XDDBBAJMNJNTHO-AREMUKBSSA-N 1 0 498.692 6.393 50 0 JKAARO CC[n+]1c(/C=C/C=C2/C=C(/C=C/N(C(C)=O)c3ccccc3)CC(C)(C)C2)sc2ccccc21 ZINC000015636477 555921106 /nfs/dbraw/zinc/92/11/06/555921106.db2.gz HHYDNWZVSQAZLS-UHFFFAOYSA-N 1 0 469.674 7.462 50 0 JKAARO C[C@H]1CCC[N@H+](Cc2cc(-c3ccc4c(c3)OCO4)ccc2OCC(=O)NCc2ccccc2F)C1 ZINC000012150147 555922170 /nfs/dbraw/zinc/92/21/70/555922170.db2.gz WRNZSXLXMIAINJ-FQEVSTJZSA-N 1 0 490.575 5.149 50 0 JKAARO CO[C@H]1[C@H](NC(=O)c2ccco2)c2ccccc2C12CC[NH+](Cc1c[nH]nc1C1CCCCC1)CC2 ZINC000012151186 555923776 /nfs/dbraw/zinc/92/37/76/555923776.db2.gz MDTQFSCATWURRN-SXOMAYOGSA-N 1 0 488.632 5.084 50 0 JKAARO C[N@H+](Cc1ccccc1NCC(=O)Nc1cc2c(cc1Br)OCCO2)C1CCCCC1 ZINC000022356196 555924169 /nfs/dbraw/zinc/92/41/69/555924169.db2.gz SDBOWFPRBBPDLR-UHFFFAOYSA-N 1 0 488.426 5.035 50 0 JKAARO COc1cccc(-n2c(SC[C@H]3CCCO3)nnc2C2CC[NH+](Cc3cccc(F)c3)CC2)c1 ZINC000012151957 555925495 /nfs/dbraw/zinc/92/54/95/555925495.db2.gz YVUACMJOPQKLOA-XMMPIXPASA-N 1 0 482.625 5.066 50 0 JKAARO CCc1ccc(C[NH+]2CCC(c3nnc(SC[C@@H]4CCCO4)n3-c3cccc(OC)c3)CC2)cc1 ZINC000012154521 555927637 /nfs/dbraw/zinc/92/76/37/555927637.db2.gz MHOTZQGHXNRDNG-SANMLTNESA-N 1 0 492.689 5.489 50 0 JKAARO C[N@H+](Cc1cccs1)Cc1ccc(OCC[C@@H]2CCCCN2C(=O)c2cccc(Cl)c2)cc1 ZINC000012158902 555929646 /nfs/dbraw/zinc/92/96/46/555929646.db2.gz LEDBOLWAOKFVDL-DEOSSOPVSA-N 1 0 483.077 6.497 50 0 JKAARO C[N@H+](CCN1C(=O)c2cc3sccc3n2C[C@@]1(C)C(=O)NC1CCCCCCC1)C1CCCCC1 ZINC000015672929 555930859 /nfs/dbraw/zinc/93/08/59/555930859.db2.gz PKQPGNWCAONUPF-NDEPHWFRSA-N 1 0 498.737 5.411 50 0 JKAARO CCCC[N@H+](CC)CCN1C(=O)c2cc3sccc3n2C[C@]1(C)C(=O)NC1CCCCCCC1 ZINC000015672927 555930876 /nfs/dbraw/zinc/93/08/76/555930876.db2.gz CAJRGJBWVOBYKZ-HHHXNRCGSA-N 1 0 486.726 5.268 50 0 JKAARO CO[C@H]1[C@H](NC(=O)c2cccs2)c2ccccc2C12CC[NH+](Cc1cc(F)ccc1F)CC2 ZINC000012163051 555931621 /nfs/dbraw/zinc/93/16/21/555931621.db2.gz FMWJTLMBOZODNI-RPWUZVMVSA-N 1 0 468.569 5.060 50 0 JKAARO CCc1cc2c(cc3n2C[C@](C)(C(=O)NC2CCCCCC2)N(CC[NH+]2CCCCCC2)C3=O)s1 ZINC000015673140 555931764 /nfs/dbraw/zinc/93/17/64/555931764.db2.gz FDUXVTUVWWXAHW-MUUNZHRXSA-N 1 0 498.737 5.195 50 0 JKAARO O=C(Nc1cccc(N2CCC([NH2+]CCC(c3ccccc3)c3ccccc3)CC2)c1)C1CC1 ZINC000012167278 555933406 /nfs/dbraw/zinc/93/34/06/555933406.db2.gz BDNGSMBNKBKLBE-UHFFFAOYSA-N 1 0 453.630 5.816 50 0 JKAARO C[C@H](c1cccs1)[N@H+](C)Cc1cc(-c2ccccc2)ccc1OCC(=O)NCc1ccncc1 ZINC000012167556 555933433 /nfs/dbraw/zinc/93/34/33/555933433.db2.gz AOIYZTMGLWBVNY-OAQYLSRUSA-N 1 0 471.626 5.698 50 0 JKAARO C[C@@H]1CCC[C@H](C)[N@H+]1CCCN1C(=O)c2cc3occc3n2C[C@@]1(C)C(=O)NC1CCCCCCC1 ZINC000015675673 555934268 /nfs/dbraw/zinc/93/42/68/555934268.db2.gz AUUUCHCGFJPFFD-KERYWQKISA-N 1 0 496.696 5.331 50 0 JKAARO Cc1cc2c(cc3n2C[C@](C)(C(=O)NC2CCCCCCC2)N(CC[N@@H+](C)C2CCCCC2)C3=O)o1 ZINC000015675853 555934904 /nfs/dbraw/zinc/93/49/04/555934904.db2.gz KVYNTMRKXVFWSZ-GDLZYMKVSA-N 1 0 496.696 5.251 50 0 JKAARO CCCC[NH+](CCCC)CCCN1C(=O)c2cc3occc3n2C[C@@]1(C)C(=O)NC1CCCCCC1 ZINC000015675871 555934938 /nfs/dbraw/zinc/93/49/38/555934938.db2.gz SBSUHCDEGUYJPX-LJAQVGFWSA-N 1 0 498.712 5.580 50 0 JKAARO Cc1cccc(-c2nc3cc4c(cc3cc2CN(CC[NH+](C)C)C(=O)c2ccco2)CCC4)c1 ZINC000012186161 555936701 /nfs/dbraw/zinc/93/67/01/555936701.db2.gz YGATUNQCMJSQOY-UHFFFAOYSA-N 1 0 453.586 5.496 50 0 JKAARO O=C(Cc1ccsc1)N1CCC[C@@H](COc2ccc(C[NH+]3CCC(c4ccccc4)CC3)cc2)C1 ZINC000012211546 555943084 /nfs/dbraw/zinc/94/30/84/555943084.db2.gz XQHFYCSRFIMSED-AREMUKBSSA-N 1 0 488.697 5.988 50 0 JKAARO C[C@H]1CCCC[N@@H+]1CCN1C(=O)c2ccc(-c3ccco3)n2C[C@@]1(C)C(=O)NC1CCCCCCC1 ZINC000015678263 555943308 /nfs/dbraw/zinc/94/33/08/555943308.db2.gz ZPRQUIUBDZFRCD-ZTOMLWHTSA-N 1 0 494.680 5.066 50 0 JKAARO COc1cccc(-n2c(SC[C@H]3CCCO3)nnc2C2CC[NH+](CCCc3ccccc3)CC2)c1 ZINC000012242848 555945821 /nfs/dbraw/zinc/94/58/21/555945821.db2.gz WEDIKEYAXMKAAS-AREMUKBSSA-N 1 0 492.689 5.359 50 0 JKAARO O=C(NCC1(c2ccccc2)CCCC1)[C@H]1CC12CC[NH+](Cc1c[nH]nc1-c1ccccc1)CC2 ZINC000012242420 555945848 /nfs/dbraw/zinc/94/58/48/555945848.db2.gz DOOQLLCGQNJTDD-AREMUKBSSA-N 1 0 468.645 5.307 50 0 JKAARO C[NH+](C)Cc1cc(-c2nc3ccccc3s2)ccc1OCC(=O)NCc1cnc2ccccc2c1 ZINC000012243152 555946399 /nfs/dbraw/zinc/94/63/99/555946399.db2.gz YVRCYYQRLVLDGK-UHFFFAOYSA-N 1 0 482.609 5.268 50 0 JKAARO O=C(Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000012292316 555949309 /nfs/dbraw/zinc/94/93/09/555949309.db2.gz LNFZHLOAMMEZSY-UHFFFAOYSA-N 1 0 459.537 5.991 50 0 JKAARO Cc1ccc(-n2ncc(C(=O)NCCC[NH+]3CCC(Cc4ccccc4)CC3)c2-n2cccc2)cc1 ZINC000015681302 555950262 /nfs/dbraw/zinc/95/02/62/555950262.db2.gz UWVQXCOLOJVLQY-UHFFFAOYSA-N 1 0 481.644 5.046 50 0 JKAARO Cc1oc(-c2ccc(C(=O)NCCC[N@H+]3CCCC[C@@H]3C)cc2)nc1CSc1ccc(C)cc1 ZINC000015682197 555951543 /nfs/dbraw/zinc/95/15/43/555951543.db2.gz UDEGCAQKDNTEQR-NRFANRHFSA-N 1 0 477.674 6.245 50 0 JKAARO O=c1c([C@H](C[NH+]2CCCCC2)c2ccccc2Cl)nc(-c2ccccc2)nn1CN1CCCCC1 ZINC000012340828 555953509 /nfs/dbraw/zinc/95/35/09/555953509.db2.gz VJWMTSBFSJIUBS-XMMPIXPASA-N 1 0 492.067 5.020 50 0 JKAARO CCC[NH+]1CCN(Cn2nc(Cc3cccc4ccccc43)n(-c3ccc(C)cc3C)c2=S)CC1 ZINC000022918137 555972022 /nfs/dbraw/zinc/97/20/22/555972022.db2.gz VREZPZMHIOTHES-UHFFFAOYSA-N 1 0 485.701 5.749 50 0 JKAARO Cc1ccc(C(C)C)c(OC[C@@H](O)CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000022922996 555976292 /nfs/dbraw/zinc/97/62/92/555976292.db2.gz ZVUGPMKBUOXJRP-MHZLTWQESA-N 1 0 458.646 5.265 50 0 JKAARO O[C@@H](CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)Oc1ccc(Cl)c(Cl)c1 ZINC000022925035 555977465 /nfs/dbraw/zinc/97/74/65/555977465.db2.gz TWVNDYYTILLVHF-XMMPIXPASA-N 1 0 457.401 5.098 50 0 JKAARO Fc1ccc(C(c2ccc(F)cc2)N2CC[NH+](CCCc3nc(-c4cccs4)no3)CC2)cc1 ZINC000022926762 555977901 /nfs/dbraw/zinc/97/79/01/555977901.db2.gz BSKXINZJFZINFU-UHFFFAOYSA-N 1 0 480.584 5.416 50 0 JKAARO CC1CC[NH+](Cc2ccc(NC(=O)COc3ccccc3-c3nnc(-c4ccccc4)o3)cc2)CC1 ZINC000015733419 555978399 /nfs/dbraw/zinc/97/83/99/555978399.db2.gz PUXJPPRPKXJUEJ-UHFFFAOYSA-N 1 0 482.584 5.653 50 0 JKAARO CCC[NH+]1CCN(CCCNC(=O)c2ccc(-c3nc(CSc4ccccc4)c(C)o3)cc2)CC1 ZINC000022936596 555989481 /nfs/dbraw/zinc/98/94/81/555989481.db2.gz DPJFRBFVBQNOMP-UHFFFAOYSA-N 1 0 492.689 5.090 50 0 JKAARO c1ccc(C(c2ccccc2)[NH+]2CCN(CCOCCOc3cccc4ccccc43)CC2)cc1 ZINC000022938743 555992195 /nfs/dbraw/zinc/99/21/95/555992195.db2.gz YMPSJEHRAVARKT-UHFFFAOYSA-N 1 0 466.625 5.642 50 0 JKAARO Cn1c(=S)n(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)nc1-c1ccccc1Cl ZINC000022942464 555993188 /nfs/dbraw/zinc/99/31/88/555993188.db2.gz FOGFEJOGZOCEFP-UHFFFAOYSA-N 1 0 490.076 5.636 50 0 JKAARO CC(C)(c1ccccc1)c1ccc(OC[C@H](O)C[NH2+]C2CCN(Cc3ccccc3)CC2)cc1 ZINC000012537763 556010915 /nfs/dbraw/zinc/01/09/15/556010915.db2.gz SBGMRNAVKRJHLG-MUUNZHRXSA-N 1 0 458.646 5.006 50 0 JKAARO Cc1ccc([C@@H]2CC(c3cc(Cl)ccc3O)=NC3(CC[NH+](Cc4ccccc4)CC3)N2)cc1 ZINC000015830248 556016782 /nfs/dbraw/zinc/01/67/82/556016782.db2.gz UKJRLVFFRNOMGC-VWLOTQADSA-N 1 0 460.021 5.870 50 0 JKAARO Cc1nn2c(nc(C(C)(C)C)cc2N2CC[NH+](Cc3ccccc3)CC2)c1-c1ccc(F)cc1 ZINC000015839992 556023050 /nfs/dbraw/zinc/02/30/50/556023050.db2.gz IAPHCJNWIGXNBY-UHFFFAOYSA-N 1 0 457.597 5.464 50 0 JKAARO O=C(CCCc1ccccc1)Nc1cccc(N2CCC(N3CC[NH+](C4CCCCC4)CC3)CC2)c1 ZINC000023159078 556026278 /nfs/dbraw/zinc/02/62/78/556026278.db2.gz RJPYYRBEVIQFTN-UHFFFAOYSA-N 1 0 488.720 5.567 50 0 JKAARO COc1ccc([C@H](CNC(=O)c2ccccc2OCc2ccc(Cl)cc2Cl)[NH+]2CCCC2)cc1 ZINC000012549308 556028889 /nfs/dbraw/zinc/02/88/89/556028889.db2.gz YOZQECCBSVRJRA-VWLOTQADSA-N 1 0 499.438 6.148 50 0 JKAARO CSc1ccc([C@@H](c2oc3ccccc3c2NC(=O)c2cccs2)[NH+]2CCCCC2)cc1 ZINC000015859420 556029664 /nfs/dbraw/zinc/02/96/64/556029664.db2.gz AQGSVSXJYXKBSV-DEOSSOPVSA-N 1 0 462.640 7.044 50 0 JKAARO O=C(Nc1c2ccccc2oc1[C@@H](c1ccccc1Cl)[NH+]1CCCCC1)c1cccs1 ZINC000015859397 556029668 /nfs/dbraw/zinc/02/96/68/556029668.db2.gz BBMDGABCQSYUHR-HSZRJFAPSA-N 1 0 450.991 6.975 50 0 JKAARO CSc1ccc([C@@H](c2oc3ccccc3c2NC(=O)c2cccs2)[NH+]2CCC(C)CC2)cc1 ZINC000015859424 556029707 /nfs/dbraw/zinc/02/97/07/556029707.db2.gz WVMVBLQJLVSRQZ-VWLOTQADSA-N 1 0 476.667 7.290 50 0 JKAARO CC(C)c1ccc([C@H](c2oc3ccccc3c2NC(=O)c2cccs2)[NH+]2CCC(C)CC2)cc1 ZINC000015859432 556029743 /nfs/dbraw/zinc/02/97/43/556029743.db2.gz FZVZMOLHLWNEAQ-HHHXNRCGSA-N 1 0 472.654 7.691 50 0 JKAARO COc1ccc(OC)c([C@@H](c2oc3ccccc3c2NC(=O)c2cccs2)[NH+]2CCC(C)CC2)c1 ZINC000015859444 556030058 /nfs/dbraw/zinc/03/00/58/556030058.db2.gz WMUSKDYWOSAPHF-SANMLTNESA-N 1 0 490.625 6.585 50 0 JKAARO COc1cccc([C@@H](c2oc3ccccc3c2NC(=O)c2ccccc2)[NH+]2CCC(C)CC2)c1 ZINC000015859468 556030090 /nfs/dbraw/zinc/03/00/90/556030090.db2.gz FKJNRZHHUQBHER-MHZLTWQESA-N 1 0 454.570 6.515 50 0 JKAARO CC1CC[NH+]([C@@H](c2oc3ccccc3c2NC(=O)c2ccccc2)c2ccccc2Cl)CC1 ZINC000015859506 556030102 /nfs/dbraw/zinc/03/01/02/556030102.db2.gz QJRVVJRPYSAUSB-AREMUKBSSA-N 1 0 458.989 7.160 50 0 JKAARO Cc1ccc([C@H](CNC(=O)c2cc(-c3ccc(Br)cc3)on2)[NH+]2CCC(C)CC2)o1 ZINC000015860533 556031731 /nfs/dbraw/zinc/03/17/31/556031731.db2.gz LOWGUJLAQGCWFP-FQEVSTJZSA-N 1 0 472.383 5.209 50 0 JKAARO Cc1ccc([C@H](CNC(=O)c2oc3cc(Br)ccc3c2C)[NH+]2CCC(C)CC2)o1 ZINC000015860501 556031790 /nfs/dbraw/zinc/03/17/90/556031790.db2.gz FNMUZYAMTSVLMD-IBGZPJMESA-N 1 0 459.384 5.608 50 0 JKAARO CC1CC[NH+]([C@H](CNC(=O)c2cc(-c3ccc(Br)cc3)on2)c2cccs2)CC1 ZINC000015859997 556031850 /nfs/dbraw/zinc/03/18/50/556031850.db2.gz HVPCEGPDCUDRGM-LJQANCHMSA-N 1 0 474.424 5.369 50 0 JKAARO CCc1c(C)sc2c1CC[N@H+](Cc1nc(-c3cc(C)ccc3C)oc1C)[C@@H]2c1ccccc1 ZINC000015864883 556040771 /nfs/dbraw/zinc/04/07/71/556040771.db2.gz PFNOXNPPZGBPFG-HHHXNRCGSA-N 1 0 456.655 7.347 50 0 JKAARO CCc1c(C)sc2c1CC[N@H+](Cc1nc(-c3cc(C)ccc3C)oc1C)[C@H]2c1ccccc1 ZINC000015864884 556040782 /nfs/dbraw/zinc/04/07/82/556040782.db2.gz PFNOXNPPZGBPFG-MHZLTWQESA-N 1 0 456.655 7.347 50 0 JKAARO CCOc1ccc2oc(=O)cc(C[N@@H+]3CCc4c5c(sc4[C@@H]3c3ccccc3)CCCC5)c2c1 ZINC000015864837 556040797 /nfs/dbraw/zinc/04/07/97/556040797.db2.gz UNHYTTNXBPFFMZ-NDEPHWFRSA-N 1 0 471.622 6.280 50 0 JKAARO Fc1ccc(C[NH+]2CCC(CNc3ncnc4scc(-c5ccc(Cl)cc5)c43)CC2)cc1 ZINC000015864925 556041177 /nfs/dbraw/zinc/04/11/77/556041177.db2.gz UMMJAJNLPAAKHW-UHFFFAOYSA-N 1 0 467.013 6.475 50 0 JKAARO CC[NH+](CC)CCCNC(=O)c1ccc(-c2cc(-c3ccc(N4CCCCC4)cc3)n[nH]2)cc1 ZINC000023331216 556042693 /nfs/dbraw/zinc/04/26/93/556042693.db2.gz UPKNWRVDQXHBCG-UHFFFAOYSA-N 1 0 459.638 5.196 50 0 JKAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1ccc(-c2cc(-c3cccc(C(F)(F)F)c3)n[nH]2)cc1 ZINC000023335056 556044239 /nfs/dbraw/zinc/04/42/39/556044239.db2.gz QMWMJRCAPPRMHF-GOSISDBHSA-N 1 0 472.555 6.003 50 0 JKAARO CCN(CC[NH+](CC)CC)C(=O)c1ccc(-c2cc(-c3ccc(N4CCCCC4)cc3)n[nH]2)cc1 ZINC000023336428 556046582 /nfs/dbraw/zinc/04/65/82/556046582.db2.gz DNFVYKLMPRMSRV-UHFFFAOYSA-N 1 0 473.665 5.538 50 0 JKAARO CC(C)NC(=O)[C@@H]1C[C@@H]([NH2+]Cc2cccc(Oc3ccccc3)c2)CN1Cc1cccc(Cl)c1 ZINC000023362329 556049226 /nfs/dbraw/zinc/04/92/26/556049226.db2.gz RFUYHBMECPKDSA-SQHAQQRYSA-N 1 0 478.036 5.390 50 0 JKAARO C[N@H+](CCc1c[nH]c2ccc(NC(=O)c3c(F)c(F)c(F)c(F)c3F)cc12)C1CCCCC1 ZINC000023426689 556053976 /nfs/dbraw/zinc/05/39/76/556053976.db2.gz MSFVEOPKFQLSBY-UHFFFAOYSA-N 1 0 465.466 5.923 50 0 JKAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)COc1ccc(-c2nc3ccccc3s2)cc1 ZINC000012564482 556060426 /nfs/dbraw/zinc/06/04/26/556060426.db2.gz IKEPIUNMNPFVMF-WIOPSUGQSA-N 1 0 469.610 5.485 50 0 JKAARO CCOC(=O)c1c2c(sc1NC(=O)[C@H]([NH2+]C1CCCCCCC1)c1ccccc1)C[C@H](C)CC2 ZINC000012565751 556063204 /nfs/dbraw/zinc/06/32/04/556063204.db2.gz KVBUMQBUIHGSJX-KBMIEXCESA-N 1 0 482.690 6.432 50 0 JKAARO CCOC(=O)c1c2c(sc1NC(=O)[C@@H]([NH2+]C1CCCCCCC1)c1ccccc1)C[C@@H](C)CC2 ZINC000012565748 556063309 /nfs/dbraw/zinc/06/33/09/556063309.db2.gz KVBUMQBUIHGSJX-DFBJGRDBSA-N 1 0 482.690 6.432 50 0 JKAARO CCOC(=O)c1c2c(sc1NC(=O)[C@H]([NH2+]C1CCCCCCC1)c1ccccc1)C[C@@H](C)CC2 ZINC000012565749 556063342 /nfs/dbraw/zinc/06/33/42/556063342.db2.gz KVBUMQBUIHGSJX-UQBPGWFLSA-N 1 0 482.690 6.432 50 0 JKAARO CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@@H]([NH2+]CCCn1ccnc1)c1ccccc1 ZINC000012566501 556064440 /nfs/dbraw/zinc/06/44/40/556064440.db2.gz UIXYDSKZHXKBFV-DEOSSOPVSA-N 1 0 488.613 5.148 50 0 JKAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(-c2cc(-c3cccc4ccccc43)n[nH]2)cc1 ZINC000023450911 556065603 /nfs/dbraw/zinc/06/56/03/556065603.db2.gz GWPFDZHIVKEZRZ-NRFANRHFSA-N 1 0 452.602 5.891 50 0 JKAARO O=C(c1ccc(OCC[NH+]2CCCCC2)cc1)[C@@H]1c2ccc(O)cc2S[C@@H]1c1ccc(O)cc1 ZINC000015919389 556067304 /nfs/dbraw/zinc/06/73/04/556067304.db2.gz IKZMTNSYXDOFJH-XTEPFMGCSA-N 1 0 475.610 5.776 50 0 in-vitro JKAARO C[N@H+](CCc1ccccc1)Cc1ccc(OC[C@H]2CCCN(C(=O)c3cccc(Cl)c3)C2)cc1 ZINC000012570805 556073493 /nfs/dbraw/zinc/07/34/93/556073493.db2.gz CIVPDXIEMOXDMJ-VWLOTQADSA-N 1 0 477.048 5.946 50 0 JKAARO O=C(Nc1ccccc1O)C1CC[NH+](Cc2cn(-c3ccccc3)nc2-c2ccccc2)CC1 ZINC000012576647 556076058 /nfs/dbraw/zinc/07/60/58/556076058.db2.gz FMIFJYDTUZKGQX-UHFFFAOYSA-N 1 0 452.558 5.096 50 0 JKAARO Cc1oc(-c2ccc(Cl)cc2)nc1CSCC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000015942341 556077352 /nfs/dbraw/zinc/07/73/52/556077352.db2.gz DMUBBYXIJZVCFD-UHFFFAOYSA-N 1 0 470.038 5.317 50 0 JKAARO CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4ccc(Br)cc4)o2)N3)C1 ZINC000015946353 556082840 /nfs/dbraw/zinc/08/28/40/556082840.db2.gz KWGLUAYIBFQMKX-FQEVSTJZSA-N 1 0 472.408 5.966 50 0 JKAARO CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4ccc(Br)cc4)o2)N3)C1 ZINC000015946355 556082867 /nfs/dbraw/zinc/08/28/67/556082867.db2.gz KWGLUAYIBFQMKX-HXUWFJFHSA-N 1 0 472.408 5.966 50 0 JKAARO CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC(=O)c4ccccc4Cl)cc2)N3)C1 ZINC000015946383 556082921 /nfs/dbraw/zinc/08/29/21/556082921.db2.gz RGMLTRLRMBECDE-JOCHJYFZSA-N 1 0 482.005 5.816 50 0 JKAARO CC[NH+](CC)CC(=O)Nc1sc2c(c1C(=O)Nc1cccc(C)c1)CC[C@@H](C(C)(C)C)C2 ZINC000015946734 556083647 /nfs/dbraw/zinc/08/36/47/556083647.db2.gz MYXSSZCASDFJJF-GOSISDBHSA-N 1 0 455.668 5.740 50 0 JKAARO Cc1cccc(NC(=O)c2c(NC(=O)C[NH2+]CC(C)C)sc3c2CC[C@@H](C(C)(C)C)C3)c1 ZINC000015946742 556083672 /nfs/dbraw/zinc/08/36/72/556083672.db2.gz PWWURYKVXYGPAU-GOSISDBHSA-N 1 0 455.668 5.644 50 0 JKAARO COc1ccccc1NC(=O)c1c(NC(=O)C[NH2+]Cc2ccccc2)sc2c1CCCCC2 ZINC000015946949 556084275 /nfs/dbraw/zinc/08/42/75/556084275.db2.gz FGNOBGZEUFTWGN-UHFFFAOYSA-N 1 0 463.603 5.006 50 0 JKAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC(=O)c4ccc(C(C)(C)C)cc4)cc2)N3)C1 ZINC000015947241 556084726 /nfs/dbraw/zinc/08/47/26/556084726.db2.gz CDRVPNUYPZEOAP-DEOSSOPVSA-N 1 0 489.641 6.072 50 0 JKAARO CCOc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](CC)C4)ccc1OC(=O)c1ccc(F)cc1 ZINC000015947155 556084760 /nfs/dbraw/zinc/08/47/60/556084760.db2.gz VVKXYCTZWMEDLW-QHCPKHFHSA-N 1 0 495.576 5.312 50 0 JKAARO COc1ccc(C(=O)Oc2ccc([C@@H]3Nc4sc5c(c4C(=O)N3)CC[N@H+](C(C)C)C5)cc2)cc1 ZINC000015947091 556084776 /nfs/dbraw/zinc/08/47/76/556084776.db2.gz NVBIFOGZBGHMNA-QHCPKHFHSA-N 1 0 477.586 5.171 50 0 JKAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Br)ccc2OCc2ccccc2)N3)C1 ZINC000015947295 556085210 /nfs/dbraw/zinc/08/52/10/556085210.db2.gz NHBMDTCNQJCHEH-JOCHJYFZSA-N 1 0 498.446 5.897 50 0 JKAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4cccc(Br)c4)o2)N3)C1 ZINC000015947285 556085232 /nfs/dbraw/zinc/08/52/32/556085232.db2.gz LVSQKLJATKYRDI-IBGZPJMESA-N 1 0 458.381 5.578 50 0 JKAARO CC(=O)C1=CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](OC(=O)CC[N@@H+]5CCCC(C)(C)C5)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000012660506 556100802 /nfs/dbraw/zinc/10/08/02/556100802.db2.gz SKYIWOGZYIRINV-RYDHSDCGSA-N 1 0 483.737 6.578 50 0 biogenic JKAARO C[NH2+][C@H]1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(N[C@H](C)CCCC(C)C)c(=O)cc21 ZINC000012660485 556100831 /nfs/dbraw/zinc/10/08/31/556100831.db2.gz QFFVPKYZOBXDFZ-GCJKJVERSA-N 1 0 468.638 5.573 50 0 biogenic JKAARO C[NH2+][C@H]1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(N[C@@H](C)c3ccccc3)c(=O)cc21 ZINC000012660636 556101116 /nfs/dbraw/zinc/10/11/16/556101116.db2.gz UKDWAHQBWMMNNT-JTSKRJEESA-N 1 0 460.574 5.119 50 0 biogenic JKAARO Cc1ccc(N2C(=O)[C@H]3[C@H](c4ccc(Br)cc4)[N@H+]4Cc5ccccc5C[C@@H]4[C@H]3C2=O)cc1 ZINC000015987466 556101380 /nfs/dbraw/zinc/10/13/80/556101380.db2.gz IHCCNYSQNVISOB-VPBXCIAMSA-N 1 0 487.397 5.045 50 0 JKAARO c1ccc(Cn2c(CSc3nc4ccccc4s3)nnc2SCC[NH+]2CCCCC2)cc1 ZINC000012681970 556101609 /nfs/dbraw/zinc/10/16/09/556101609.db2.gz BOPVMUUHZGCFBI-UHFFFAOYSA-N 1 0 481.716 5.806 50 0 JKAARO COc1ccc(-c2nn(-c3ccccc3)cc2C[NH+]2CCC(C(=O)Nc3ccccc3O)CC2)cc1 ZINC000012746669 556107854 /nfs/dbraw/zinc/10/78/54/556107854.db2.gz BOURKWNWSOMPJI-UHFFFAOYSA-N 1 0 482.584 5.104 50 0 JKAARO CC1CC[NH+]([C@@H](CNC(=O)COc2ccc(C3SCCCS3)cc2)c2cccs2)CC1 ZINC000012756834 556108239 /nfs/dbraw/zinc/10/82/39/556108239.db2.gz FSUCFKIBVDUKTL-NRFANRHFSA-N 1 0 476.733 5.585 50 0 JKAARO CC1CC[NH+]([C@H](CNC(=O)COc2ccc(C3SCCCS3)cc2)c2cccs2)CC1 ZINC000012756842 556108253 /nfs/dbraw/zinc/10/82/53/556108253.db2.gz FSUCFKIBVDUKTL-OAQYLSRUSA-N 1 0 476.733 5.585 50 0 JKAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cc2c3ccccc3[nH]c2c(-c2ccccc2)n1 ZINC000012869578 556120923 /nfs/dbraw/zinc/12/09/23/556120923.db2.gz VYRKVKXYQIKPGK-UHFFFAOYSA-N 1 0 460.581 5.778 50 0 biogenic JKAARO O=C(Cc1cccc2ccccc21)N[C@H](OC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(Cl)(Cl)Cl ZINC000016041859 556121555 /nfs/dbraw/zinc/12/15/55/556121555.db2.gz QEHNLADBQYXELH-IEIRFRATSA-N 1 0 483.867 5.476 50 0 JKAARO O=C(N[C@H](OC[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C(Cl)(Cl)Cl)c1ccc(Br)cc1 ZINC000016041446 556121563 /nfs/dbraw/zinc/12/15/63/556121563.db2.gz VOUZVBHUPLKNBV-UWWQBHOKSA-N 1 0 498.676 5.156 50 0 JKAARO C[C@@H](OC[C@H](O)C[NH+]1CCC(C(O)(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000016043658 556123141 /nfs/dbraw/zinc/12/31/41/556123141.db2.gz ICEYOUKMGLFQNF-SKCUWOTOSA-N 1 0 480.048 5.427 50 0 JKAARO CC1CC[NH+]([C@H](CNC(=O)c2ccccc2NC(=O)c2cccs2)c2cccs2)CC1 ZINC000012918804 556137892 /nfs/dbraw/zinc/13/78/92/556137892.db2.gz MJUHCDRVZHEYOX-HXUWFJFHSA-N 1 0 453.633 5.265 50 0 JKAARO COc1cccc([C@H](CNC(=O)c2sc3nc(-c4ccco4)nc(C)c3c2C)[NH+]2CCCC2)c1 ZINC000012922603 556141378 /nfs/dbraw/zinc/14/13/78/556141378.db2.gz OCYIZMBFPFYXNG-FQEVSTJZSA-N 1 0 476.602 5.144 50 0 JKAARO CCOc1cc(C[NH2+]C2CCCCC2)cc(Br)c1OCc1ccccc1Cl ZINC000016688649 556152365 /nfs/dbraw/zinc/15/23/65/556152365.db2.gz GNESKCINRONHKW-UHFFFAOYSA-N 1 0 452.820 6.503 50 0 JKAARO CCN1c2ccccc2S/C1=C\C=C1/CCCC(/C=C/c2sc3ccccc3[n+]2CC)=C1Cl ZINC000016693715 556153691 /nfs/dbraw/zinc/15/36/91/556153691.db2.gz SNGJGLALPFHEPD-UHFFFAOYSA-N 1 0 492.133 8.299 50 0 JKAARO C[C@@H](Cc1cccs1)[N@H+](CC(=O)Nc1ccc(C(=O)N(C)C)cc1)Cc1ccc(Cl)cc1 ZINC000012950933 556160171 /nfs/dbraw/zinc/16/01/71/556160171.db2.gz DWRXHSGGVPESMY-SFHVURJKSA-N 1 0 470.038 5.175 50 0 JKAARO O=C(C[N@H+](Cc1ccc2c(c1)OCO2)C1CCCC1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000024842871 556160542 /nfs/dbraw/zinc/16/05/42/556160542.db2.gz IYOVJGMZCWFZOC-UHFFFAOYSA-N 1 0 454.876 5.471 50 0 JKAARO Cc1[nH]nc(-c2ccc(OCC[NH+]3CCN(c4cccc(Cl)c4)CC3)cc2O)c1-c1ccccc1 ZINC000024986227 556169793 /nfs/dbraw/zinc/16/97/93/556169793.db2.gz AKLCYOZJDJCCPQ-UHFFFAOYSA-N 1 0 489.019 5.612 50 0 JKAARO COc1ccc(-c2csc(N3[NH2+]C4=C(C[C@@H](c5ccccc5)CC4)[C@@]3(O)C(F)(F)F)n2)cc1 ZINC000016957520 556188554 /nfs/dbraw/zinc/18/85/54/556188554.db2.gz PMPAMSURRMCKHB-WCAVRKLYSA-N 1 0 473.520 5.830 50 0 JKAARO COc1ccccc1-c1nn(Cc2ccccc2)cc1C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000013013067 556204251 /nfs/dbraw/zinc/20/42/51/556204251.db2.gz MYEIYRBEYIAFEM-HHHXNRCGSA-N 1 0 480.612 5.174 50 0 JKAARO O=C(NCC[NH+]1CCCC1)c1cc(-c2ccccc2)n(-c2nc(-c3ccc(Cl)cc3)cs2)n1 ZINC000025186109 556204324 /nfs/dbraw/zinc/20/43/24/556204324.db2.gz OUKAQLOSRCUGOH-UHFFFAOYSA-N 1 0 478.021 5.142 50 0 JKAARO Cc1ccccc1-c1nnc(-c2ccc(C(=O)Nc3ccc(N4CC[NH+](C)CC4)cc3C)cc2)o1 ZINC000025258431 556206555 /nfs/dbraw/zinc/20/65/55/556206555.db2.gz PDJYZIGYJHKPPL-UHFFFAOYSA-N 1 0 467.573 5.025 50 0 JKAARO COc1ccc([C@@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)C[NH+]2CCCCCCC2)cc1 ZINC000025392280 556212394 /nfs/dbraw/zinc/21/23/94/556212394.db2.gz YJGBVQZHDKGUNM-NDEPHWFRSA-N 1 0 455.602 5.792 50 0 JKAARO COc1cc([C@@H]2[NH2+]C[C@H](c3ccc(Cl)cc3Cl)c3c4ccccc4[nH]c32)cc(OC)c1OC ZINC000025461348 556217097 /nfs/dbraw/zinc/21/70/97/556217097.db2.gz STSQQIFVGFWTEQ-KOSHJBKYSA-N 1 0 483.395 6.325 50 0 JKAARO Cc1ccc(-c2nnc([C@@H](C)NCc3ccccc3-c3ccc(C[NH+]4CCCC4)cc3)o2)cc1 ZINC000025500787 556218415 /nfs/dbraw/zinc/21/84/15/556218415.db2.gz UEWQIRBZDFMDAV-JOCHJYFZSA-N 1 0 452.602 6.159 50 0 JKAARO CCC[NH+]1CCC2(CC1)Oc1c(Cl)cc(Cl)cc1[C@@H]1CC(c3ccc(Cl)cc3)=NN12 ZINC000025578284 556224392 /nfs/dbraw/zinc/22/43/92/556224392.db2.gz JXSZPRFMCVMKJY-NRFANRHFSA-N 1 0 464.824 6.392 50 0 JKAARO CC[C@@H]1C[N@@H+]2CC[C@H]1C[C@@H]2[C@@H](OC(=O)c1ccc(Cl)cc1)c1ccnc2ccc(OC)cc21 ZINC000025782884 556234698 /nfs/dbraw/zinc/23/46/98/556234698.db2.gz TXVNNFDXQZFMBQ-XHYUFEOFSA-N 1 0 464.993 5.915 50 0 JKAARO C[C@H]1CCc2c(sc3nc(-c4cccnc4)nc(N4CC[NH+](Cc5ccccc5)CC4)c23)C1 ZINC000013038856 556238116 /nfs/dbraw/zinc/23/81/16/556238116.db2.gz AUIXMVPUBUFUPM-IBGZPJMESA-N 1 0 455.631 5.200 50 0 JKAARO COC(=O)c1c2c(sc1NC(=O)COc1ccc(Cl)cc1Cl)C(C)(C)[NH2+]C(C)(C)C2 ZINC000017242854 556243853 /nfs/dbraw/zinc/24/38/53/556243853.db2.gz WNAFEPLVMDNFQF-UHFFFAOYSA-N 1 0 471.406 5.018 50 0 JKAARO CCn1c(C[NH+]2CCC(C)CC2)nc2cc(NC(=O)c3cccc(Br)c3)ccc21 ZINC000026121271 556249553 /nfs/dbraw/zinc/24/95/53/556249553.db2.gz VSMFYZDLEPIGLI-UHFFFAOYSA-N 1 0 455.400 5.303 50 0 JKAARO COc1ccc([C@@H](CNC(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)[NH+]2CCCC2)cc1 ZINC000013058001 556253259 /nfs/dbraw/zinc/25/32/59/556253259.db2.gz RTVUVSCCADMYLQ-MUUNZHRXSA-N 1 0 466.585 5.115 50 0 JKAARO CCOC(=O)c1c(C)c(CC)sc1NC(=O)CNc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000013058350 556253836 /nfs/dbraw/zinc/25/38/36/556253836.db2.gz CAHGTDDFLPOYMQ-UHFFFAOYSA-N 1 0 471.667 5.611 50 0 JKAARO COc1ccccc1[C@@H](CNc1ncnc2scc(-c3ccc(Cl)cc3)c21)[NH+]1CCCC1 ZINC000013063202 556259370 /nfs/dbraw/zinc/25/93/70/556259370.db2.gz QLUDRJWPVAVJKS-OAQYLSRUSA-N 1 0 465.022 6.269 50 0 JKAARO O=C(CSc1ccccc1C(=O)NCC1([NH+]2CCCCC2)CCCCC1)Nc1ccc(F)cc1 ZINC000013068410 556264756 /nfs/dbraw/zinc/26/47/56/556264756.db2.gz AHMASCFWNCDXSB-UHFFFAOYSA-N 1 0 483.653 5.475 50 0 JKAARO COc1ccc([C@H](CNC(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccc(C)c(C)c2)[NH+](C)C)cc1 ZINC000013074367 556275259 /nfs/dbraw/zinc/27/52/59/556275259.db2.gz YOJVEJPEKBQUHT-UUPRAJRISA-N 1 0 494.639 5.597 50 0 JKAARO CCCCC[NH2+]/C(NC(=O)c1ccccc1)=C(/Sc1ccc(Cl)cc1)c1ccccc1 ZINC000027529791 556290669 /nfs/dbraw/zinc/29/06/69/556290669.db2.gz BLCNBYOKVOLMOI-IZHYLOQSSA-N 1 0 451.035 6.968 50 0 JKAARO c1sc2nc(-c3ccccn3)nc(NC3CC[NH+](Cc4ccccc4)CC3)c2c1-c1ccccc1 ZINC000013098049 556296081 /nfs/dbraw/zinc/29/60/81/556296081.db2.gz DFBITAKYNGJBTJ-UHFFFAOYSA-N 1 0 477.637 6.497 50 0 JKAARO Cc1ccc(NC(=O)CSc2ccccc2C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000013098963 556298910 /nfs/dbraw/zinc/29/89/10/556298910.db2.gz IAGHHEMESNPJEL-UHFFFAOYSA-N 1 0 473.642 5.120 50 0 JKAARO Cc1ccc(-c2cnn3c2nc(C)cc3N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000027585840 556300504 /nfs/dbraw/zinc/30/05/04/556300504.db2.gz IOEMPWFBGFERDH-UHFFFAOYSA-N 1 0 473.624 5.925 50 0 JKAARO CC(C)c1cc(N2CC[NH+](CCOc3cccc4ccccc43)CC2)n2ncc(-c3ccccc3)c2n1 ZINC000027585268 556300529 /nfs/dbraw/zinc/30/05/29/556300529.db2.gz BLILSZZYGYGYDM-UHFFFAOYSA-N 1 0 491.639 5.874 50 0 JKAARO Cc1c2cc(Br)ccc2oc1C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCCC1 ZINC000027662665 556302106 /nfs/dbraw/zinc/30/21/06/556302106.db2.gz ROERNQNVMSZBOL-OAQYLSRUSA-N 1 0 455.396 5.769 50 0 JKAARO CC(C)(C)c1ccc([C@H](CNC(=O)c2cc(=O)c3cc(Br)ccc3o2)[NH+]2CCCC2)cc1 ZINC000028290106 556327962 /nfs/dbraw/zinc/32/79/62/556327962.db2.gz NMIZCIATVUFDBW-NRFANRHFSA-N 1 0 497.433 5.420 50 0 JKAARO CC(C)(C)c1ccc([C@@H](CNC(=O)c2cc(=O)c3ccc(Br)cc3o2)[NH+]2CCCC2)cc1 ZINC000028289926 556328019 /nfs/dbraw/zinc/32/80/19/556328019.db2.gz FUAXSAYJVSLQND-OAQYLSRUSA-N 1 0 497.433 5.420 50 0 JKAARO Cc1c2cc(Br)ccc2oc1C(=O)NC[C@H](c1ccc(C(C)(C)C)cc1)[NH+]1CCCC1 ZINC000028291788 556328534 /nfs/dbraw/zinc/32/85/34/556328534.db2.gz DZVCBJASUCJYFI-JOCHJYFZSA-N 1 0 483.450 6.368 50 0 JKAARO CSc1ncc(Br)c(C(=O)NC[C@H](c2ccc(C(C)C)cc2)[NH+]2CCCCC2)n1 ZINC000028292751 556328943 /nfs/dbraw/zinc/32/89/43/556328943.db2.gz AICCOWPKFWJCEY-LJQANCHMSA-N 1 0 477.472 5.041 50 0 JKAARO CC(C)c1ccc([C@H](CNC(=O)c2cc(-c3ccccc3)nc3ccccc32)[NH+]2CCCCC2)cc1 ZINC000028293387 556329593 /nfs/dbraw/zinc/32/95/93/556329593.db2.gz SHHJKMGNNRVJGQ-HKBQPEDESA-N 1 0 477.652 6.982 50 0 JKAARO [NH2+]=C1NC2=C(CCCC2=Cc2ccc(Br)cc2)[C@@H](c2ccc(Br)cc2)S1 ZINC000028293837 556329613 /nfs/dbraw/zinc/32/96/13/556329613.db2.gz AMMITHZBEDSBIV-IZLCOFNUSA-N 1 0 490.264 6.836 50 0 JKAARO CC(=O)c1ccc(-[n+]2c(-c3ccccc3)cc(-c3ccc(N(C)C)cc3)cc2-c2ccccc2)cc1 ZINC000028294577 556329885 /nfs/dbraw/zinc/32/98/85/556329885.db2.gz DRHKHEHBQUSVLC-UHFFFAOYSA-N 1 0 469.608 7.233 50 0 JKAARO C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)Cn1c(-c2ccccc2)c(-c2ccccc2)c2ccc3ccccc3c21 ZINC000028296592 556330927 /nfs/dbraw/zinc/33/09/27/556330927.db2.gz ABGJQFSDZULDCZ-HAFIXEQPSA-N 1 0 488.675 7.658 50 0 JKAARO O[C@@H](C[NH2+]C1CCCC1)Cn1c2ccc(Br)cc2c2cc(Br)ccc21 ZINC000028467349 556333691 /nfs/dbraw/zinc/33/36/91/556333691.db2.gz HVTLKHSJKRSBIL-INIZCTEOSA-N 1 0 466.217 5.213 50 0 JKAARO COc1cccc(-c2ccccc2NC(=O)C2CC[NH+](Cc3ccc4ccccc4n3)CC2)c1 ZINC000019224799 556336145 /nfs/dbraw/zinc/33/61/45/556336145.db2.gz KTXFSJSDCXMTES-UHFFFAOYSA-N 1 0 451.570 5.761 50 0 JKAARO CC(=O)N1CCc2cc(C(=O)[C@@H](C)[NH2+]C[C@H](c3c[nH]c4ccccc43)c3ccccc3)ccc21 ZINC000028654307 556338994 /nfs/dbraw/zinc/33/89/94/556338994.db2.gz WRLFNFFZUCMLKI-CLOONOSVSA-N 1 0 451.570 5.070 50 0 JKAARO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[NH2+]C[C@H](c1c2ccccc2[nH]c1-c1ccccc1)c1ccccc1 ZINC000028804053 556341538 /nfs/dbraw/zinc/34/15/38/556341538.db2.gz KSTAYNRDCSOSJB-LVXARBLLSA-N 1 0 491.639 5.934 50 0 JKAARO Clc1ccc2c(c1)C[C@@H](N1CC[NH+](Cc3ccccc3)CC1)c1cccc(Cl)c1S2 ZINC000019369497 556346562 /nfs/dbraw/zinc/34/65/62/556346562.db2.gz NRQUMGJPAWYFEI-HSZRJFAPSA-N 1 0 455.454 6.560 50 0 JKAARO COc1ccccc1-c1nn(Cc2ccccc2)cc1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000013128386 556347255 /nfs/dbraw/zinc/34/72/55/556347255.db2.gz YXUPXNDBHGSYLF-UHFFFAOYSA-N 1 0 480.612 5.001 50 0 JKAARO COc1cc(C[N@H+](CCc2ccccc2)Cc2ccccc2)cc(I)c1O ZINC000019634719 556359016 /nfs/dbraw/zinc/35/90/16/556359016.db2.gz DCACSTIGXMHTDU-UHFFFAOYSA-N 1 0 473.354 5.250 50 0 JKAARO O[C@H](Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21)C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000019720755 556361837 /nfs/dbraw/zinc/36/18/37/556361837.db2.gz DDJRRLCZCHXFJP-QFIPXVFZSA-N 1 0 468.428 5.280 50 0 JKAARO CC(C)CCn1cnc2sc3c(c2c1=O)CC[C@H]([NH2+]Cc1csc(Cc2ccccc2)n1)C3 ZINC000019742722 556364869 /nfs/dbraw/zinc/36/48/69/556364869.db2.gz HXZNQJAEIUGIIH-IBGZPJMESA-N 1 0 478.687 5.199 50 0 JKAARO O[C@H](Cn1c2ccccc2c2ccccc21)C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019770617 556368059 /nfs/dbraw/zinc/36/80/59/556368059.db2.gz ZKYOLXTWDQZHCY-MHZLTWQESA-N 1 0 475.636 5.563 50 0 JKAARO C[NH+](C)CCCNC(=O)/C(=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)NC(=O)c1ccccc1 ZINC000019800539 556377821 /nfs/dbraw/zinc/37/78/21/556377821.db2.gz FKSDWVVSRBAPMX-CJLVFECKSA-N 1 0 486.399 5.092 50 0 JKAARO CCCn1c(CN2CC[NH+](Cc3ccccc3)CC2)nc2cc(NC(=O)c3ccccc3)ccc21 ZINC000019830619 556397661 /nfs/dbraw/zinc/39/76/61/556397661.db2.gz SLEKJZUJKWULAC-UHFFFAOYSA-N 1 0 467.617 5.016 50 0 JKAARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCCC1)c1cc(-c2ccc(Br)cc2)on1 ZINC000032622359 556452205 /nfs/dbraw/zinc/45/22/05/556452205.db2.gz AVCUSPXUIWCIRA-NRFANRHFSA-N 1 0 454.368 5.061 50 0 JKAARO CCCCOc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000032622865 556452762 /nfs/dbraw/zinc/45/27/62/556452762.db2.gz RNVDITLMDXCOQV-QHCPKHFHSA-N 1 0 468.981 5.122 50 0 JKAARO C[NH+](C)CCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000032622878 556452781 /nfs/dbraw/zinc/45/27/81/556452781.db2.gz YBTYKVSPERYRQV-JOCHJYFZSA-N 1 0 452.982 5.241 50 0 JKAARO Cc1nn(-c2ccccc2)c2sc(C(=O)N[C@@H]3CC4(CC[NH+](C)CC4)Oc4ccccc43)cc12 ZINC000032676326 556469852 /nfs/dbraw/zinc/46/98/52/556469852.db2.gz MGHLDWMBWFUTQM-JOCHJYFZSA-N 1 0 472.614 5.113 50 0 JKAARO Cc1cc(=O)c(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)nn1-c1ccc(Cl)cc1 ZINC000032900673 556528117 /nfs/dbraw/zinc/52/81/17/556528117.db2.gz PJGWBOUHVLAXMJ-UHFFFAOYSA-N 1 0 464.997 5.211 50 0 JKAARO Cc1nn2c(nc(C)cc2N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1-c1ccc(F)cc1 ZINC000032929401 556545616 /nfs/dbraw/zinc/54/56/16/556545616.db2.gz JONYSYPEINAZEE-UHFFFAOYSA-N 1 0 491.614 6.064 50 0 JKAARO Cc1cccc(C[NH+]2CCC(CNC(=O)c3c4cc(C)ccc4nnc3-c3ccccc3)CC2)c1 ZINC000032953408 556568368 /nfs/dbraw/zinc/56/83/68/556568368.db2.gz YZZSYXMRQIRBBJ-UHFFFAOYSA-N 1 0 464.613 5.556 50 0 JKAARO O=C(NCC1CC[NH+](Cc2ccc(F)cc2)CC1)c1c2ccccc2nnc1-c1ccccc1 ZINC000032953233 556568376 /nfs/dbraw/zinc/56/83/76/556568376.db2.gz HLJJXOLQSRLBLG-UHFFFAOYSA-N 1 0 454.549 5.078 50 0 JKAARO O=C(NCC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1c2ccccc2nnc1-c1ccccc1 ZINC000032953226 556568445 /nfs/dbraw/zinc/56/84/45/556568445.db2.gz SASUBGLXSQPFSU-UHFFFAOYSA-N 1 0 471.004 5.592 50 0 JKAARO Cc1ccc(C[NH+]2CCC(CNC(=O)c3c4ccccc4nnc3-c3ccccc3)CC2)cc1 ZINC000032953222 556568458 /nfs/dbraw/zinc/56/84/58/556568458.db2.gz CRDIRCFHKNNBGO-UHFFFAOYSA-N 1 0 450.586 5.247 50 0 JKAARO CCCC(=O)Nc1nc2ccc(CCC(=O)NCC[NH+]3CCC(Cc4ccccc4)CC3)cc2s1 ZINC000032959428 556576416 /nfs/dbraw/zinc/57/64/16/556576416.db2.gz WLIVNWVDWHXCIO-UHFFFAOYSA-N 1 0 492.689 5.038 50 0 JKAARO CC[N@@H+]1CCc2c(sc(-n3cccc3)c2[C@H](C)NC(=O)Nc2cc(Cl)c(OC)cc2OC)C1 ZINC000008590242 562942568 /nfs/dbraw/zinc/94/25/68/562942568.db2.gz JCZLGELMCFHOND-HNNXBMFYSA-N 1 0 489.041 5.470 50 0 JKAARO COc1ccc(C(=O)Nc2ccc3[nH+]c4c(c(Nc5ccccc5OC)c3c2)CCCC4)c(OC)c1 ZINC000008591351 562942868 /nfs/dbraw/zinc/94/28/68/562942868.db2.gz MSEXCOKBAQVQJD-UHFFFAOYSA-N 1 0 483.568 6.135 50 0 JKAARO CC[NH+]1CCN(c2ccc(NC(=O)CCc3c(C)nc4c(-c5ccccc5)c(C)nn4c3C)cc2)CC1 ZINC000008671938 562949721 /nfs/dbraw/zinc/94/97/21/562949721.db2.gz QUFJOKCUAXSECC-UHFFFAOYSA-N 1 0 496.659 5.035 50 0 JKAARO O=C(C1CC[NH+](Cc2ccc(Cl)cc2)CC1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000008683680 562951829 /nfs/dbraw/zinc/95/18/29/562951829.db2.gz GEVANJBQYBIITO-UHFFFAOYSA-N 1 0 488.075 5.486 50 0 JKAARO COc1ccc2cc([C@H](C)[NH2+]C3CCN(c4cccc(NC(=O)c5ccncc5)c4)CC3)ccc2c1 ZINC000011912467 562957974 /nfs/dbraw/zinc/95/79/74/562957974.db2.gz WLTHMBAKLYFOFC-NRFANRHFSA-N 1 0 480.612 5.815 50 0 JKAARO COc1cc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)ccc1OCc1ccc(Cl)cc1Cl ZINC000032972166 563110003 /nfs/dbraw/zinc/11/00/03/563110003.db2.gz GWLWYHGBACJBPU-OAQYLSRUSA-N 1 0 489.399 5.741 50 0 JKAARO O=C(Nc1ccc(C(=O)OC[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1)c1ccc(Cl)c(Cl)c1 ZINC000058494310 563206656 /nfs/dbraw/zinc/20/66/56/563206656.db2.gz LDMHMMCRJKBPKT-GCJKJVERSA-N 1 0 461.389 5.667 50 0 JKAARO Clc1ccc(OCC[NH+]2CCN(c3ncnc4scc(-c5ccccc5)c43)CC2)cc1 ZINC000054290433 569589755 /nfs/dbraw/zinc/58/97/55/569589755.db2.gz NQFAMKQSNXMWFM-UHFFFAOYSA-N 1 0 450.995 5.213 50 0 JKAARO C[C@@H]1CCc2sc3ncnc(N4CC[NH+](CCOC(c5ccccc5)c5ccccc5)CC4)c3c2C1 ZINC000054290462 569589788 /nfs/dbraw/zinc/58/97/88/569589788.db2.gz QDBUGDAQKRWYAB-JOCHJYFZSA-N 1 0 498.696 5.744 50 0 JKAARO c1sc2ncnc(N3CC[NH+](CCOc4cccc5ccccc54)CC3)c2c1-c1ccccc1 ZINC000054290425 569589824 /nfs/dbraw/zinc/58/98/24/569589824.db2.gz QRLQFWWGWUYGKK-UHFFFAOYSA-N 1 0 466.610 5.713 50 0 JKAARO Clc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000054387953 569590271 /nfs/dbraw/zinc/59/02/71/569590271.db2.gz WFCJLDAYXAHUFX-UHFFFAOYSA-N 1 0 480.015 6.063 50 0 JKAARO Cc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000054387952 569590313 /nfs/dbraw/zinc/59/03/13/569590313.db2.gz PHOXNOFTSKQFKH-UHFFFAOYSA-N 1 0 459.597 5.718 50 0 JKAARO Clc1cccc(-n2cc(-c3ccccc3)c3c2ncnc3N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000054387955 569590367 /nfs/dbraw/zinc/59/03/67/569590367.db2.gz UWVXMOKCLQZNSN-UHFFFAOYSA-N 1 0 480.015 6.063 50 0 JKAARO Cc1csc([C@@H](C)[N@H+](C)C2CCN(c3cccc(NC(=O)CCCc4ccccc4)c3)CC2)n1 ZINC000055154738 569591116 /nfs/dbraw/zinc/59/11/16/569591116.db2.gz UXIHJPVTFCIFSU-JOCHJYFZSA-N 1 0 476.690 6.075 50 0 JKAARO CCO[C@H]1[C@H](NC(=O)c2ccco2)c2ccccc2C12CC[NH+](Cc1nc3ccccc3s1)CC2 ZINC000055154703 569591124 /nfs/dbraw/zinc/59/11/24/569591124.db2.gz NUBDUONRKCZHEX-FTJBHMTQSA-N 1 0 487.625 5.313 50 0 JKAARO C[N@@H+](Cc1ccccc1)Cc1ccc(C(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)c(=O)[nH]1 ZINC000055283440 569591398 /nfs/dbraw/zinc/59/13/98/569591398.db2.gz OHMLYCWPMJRLGH-SANMLTNESA-N 1 0 471.988 5.180 50 0 JKAARO CCOc1ccc(NC(=O)c2c(NC(=O)C[NH2+][C@H](C)c3ccccc3)sc3c2CCC3)cc1 ZINC000055505505 569591934 /nfs/dbraw/zinc/59/19/34/569591934.db2.gz TVGPBTBSPSWGTN-QGZVFWFLSA-N 1 0 463.603 5.177 50 0 JKAARO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000055529441 569592055 /nfs/dbraw/zinc/59/20/55/569592055.db2.gz MIJANBHYZZWIML-UHFFFAOYSA-N 1 0 471.988 6.175 50 0 JKAARO CC(C(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)(c1ccccc1)c1ccccc1 ZINC000055531370 569592068 /nfs/dbraw/zinc/59/20/68/569592068.db2.gz HTZFZXHRLFBMFQ-UHFFFAOYSA-N 1 0 475.636 5.954 50 0 JKAARO CCOc1ccc(C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)cc1Br ZINC000055529342 569592075 /nfs/dbraw/zinc/59/20/75/569592075.db2.gz XFXPUTWENDOWBS-UHFFFAOYSA-N 1 0 494.433 5.422 50 0 JKAARO COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000055531429 569592139 /nfs/dbraw/zinc/59/21/39/569592139.db2.gz RGESCTBSIGTCCA-UHFFFAOYSA-N 1 0 470.400 5.577 50 0 JKAARO Cc1ccc(C2=C(Cl)/C(=C\C[NH+]3CCCCC3)[C@H](c3ccccc3)c3ccccc3O2)cc1 ZINC000057063780 569594214 /nfs/dbraw/zinc/59/42/14/569594214.db2.gz JLYVNNLQOSECGB-FHMSYZJOSA-N 1 0 456.029 7.539 50 0 JKAARO CC1=C(C)[C@H]([NH2+]C[C@@H]2CCCO2)N(C[C@]2(C)CCC[C@@]3(C)c4ccc(C(C)C)cc4CC[C@H]23)C1=O ZINC000057211618 569594616 /nfs/dbraw/zinc/59/46/16/569594616.db2.gz UKAOSFBZTLJMQZ-MBTOSLSFSA-N 1 0 478.721 6.094 50 0 JKAARO O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000057215316 569594706 /nfs/dbraw/zinc/59/47/06/569594706.db2.gz COGSFTBTWFSJDT-UHFFFAOYSA-N 1 0 470.400 5.333 50 0 JKAARO Brc1ccc2c(c1)[C@H]1CC(c3ccco3)=NN1C1(CC[NH+](Cc3ccccc3)CC1)O2 ZINC000008717736 569596756 /nfs/dbraw/zinc/59/67/56/569596756.db2.gz QAKZPLCLMXLXHV-JOCHJYFZSA-N 1 0 478.390 5.578 50 0 JKAARO COc1cc(Br)cc2c1OC1(CC[NH+](C)CC1)N1N=C(c3ccc(Cl)cc3)C[C@@H]21 ZINC000008717692 569596801 /nfs/dbraw/zinc/59/68/01/569596801.db2.gz VIKPVJJXHONMBU-IBGZPJMESA-N 1 0 476.802 5.077 50 0 JKAARO Fc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2OC32CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000008717716 569596812 /nfs/dbraw/zinc/59/68/12/569596812.db2.gz CUIXXLBGUWFDQX-RUZDIDTESA-N 1 0 461.968 6.015 50 0 JKAARO CC(C)c1ccc(C(=O)NC(=S)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)cc1 ZINC000057314338 569596922 /nfs/dbraw/zinc/59/69/22/569596922.db2.gz OINFTWJIKATQLV-UHFFFAOYSA-N 1 0 472.658 5.259 50 0 JKAARO COCc1c2ccccc2oc1C(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000057350554 569599113 /nfs/dbraw/zinc/59/91/13/569599113.db2.gz UWIIORHICHTTNK-UHFFFAOYSA-N 1 0 455.558 5.154 50 0 JKAARO COc1ccc(-c2cc3ncnc(N4CC[NH+](Cc5cccc6cccnc65)CC4)c3s2)cc1 ZINC000057373741 569599521 /nfs/dbraw/zinc/59/95/21/569599521.db2.gz XINHEHOIVMLEPG-UHFFFAOYSA-N 1 0 467.598 5.237 50 0 JKAARO Cc1ccc(NC(=O)CSc2ccccc2C(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000008734395 569601746 /nfs/dbraw/zinc/60/17/46/569601746.db2.gz MJJVVKLOBOEIOS-UHFFFAOYSA-N 1 0 473.642 5.252 50 0 JKAARO COc1ccc(Nc2c3cc(NC(=O)/C(C)=C\c4ccccc4)ccc3[nH+]c3c2CCCC3)cc1OC ZINC000032974107 569605271 /nfs/dbraw/zinc/60/52/71/569605271.db2.gz ROJVVWKWDGFFNJ-JZJYNLBNSA-N 1 0 493.607 6.916 50 0 JKAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1ccc(Cl)cc1)O2 ZINC000032983598 569606834 /nfs/dbraw/zinc/60/68/34/569606834.db2.gz ANDMBLQSINCRKC-SSHUPFPWSA-N 1 0 467.997 5.096 50 0 JKAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc2c(c1)NC(=O)/C(=C\c1ccc(Cl)cc1)O2 ZINC000032983556 569606916 /nfs/dbraw/zinc/60/69/16/569606916.db2.gz QUWBYDBPAZRWHN-WGOQTCKBSA-N 1 0 487.987 5.106 50 0 JKAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1Cl)O2 ZINC000032983872 569607135 /nfs/dbraw/zinc/60/71/35/569607135.db2.gz LHLASBUEWIEYMC-ONUIUJJFSA-N 1 0 487.987 5.106 50 0 JKAARO CC[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1Cl)O2 ZINC000032983918 569607198 /nfs/dbraw/zinc/60/71/98/569607198.db2.gz CSEGIVFAYHEHFO-JMTCZITHSA-N 1 0 490.003 5.352 50 0 JKAARO COc1ccc(C[NH+]2CCC(CNC(=O)c3ccccc3SCc3c(C)noc3C)CC2)cc1 ZINC000060185746 569608538 /nfs/dbraw/zinc/60/85/38/569608538.db2.gz SMHDGLCZRMNASZ-UHFFFAOYSA-N 1 0 479.646 5.234 50 0 JKAARO O=C1CCCc2c3cc(C4CCCCC4)ccc3n(CC[NH+](Cc3ccccc3)Cc3ccccc3)c21 ZINC000061852310 569609164 /nfs/dbraw/zinc/60/91/64/569609164.db2.gz RAWFXUXAULYNDD-UHFFFAOYSA-N 1 0 490.691 7.910 50 0 JKAARO CC1=CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH+]4CCN(c5cccc(C(F)(F)F)c5)CC4)[C@H]3C=C12 ZINC000061997015 569609755 /nfs/dbraw/zinc/60/97/55/569609755.db2.gz OTJIEBRBPKGBEQ-AFFJLAOCSA-N 1 0 460.540 5.062 50 0 biogenic JKAARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH+]4CCN(c5ccc(Cl)c(Cl)c5)CC4)[C@H]3C=C12 ZINC000061997599 569609871 /nfs/dbraw/zinc/60/98/71/569609871.db2.gz GSMYBZVVBLIYIV-YQIZHETESA-N 1 0 463.449 5.430 50 0 biogenic JKAARO Cc1ccc(-c2ccc(Nc3ccc(C(=O)NC4CC[NH+](Cc5ccccc5)CC4)cc3)nn2)cc1 ZINC000032995668 569610241 /nfs/dbraw/zinc/61/02/41/569610241.db2.gz OIVBKWJNFKRPEF-UHFFFAOYSA-N 1 0 477.612 5.590 50 0 JKAARO O=C(Nc1ccc2c(c1)OCO2)C1CC[NH+]([C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)CC1 ZINC000062269759 569610485 /nfs/dbraw/zinc/61/04/85/569610485.db2.gz GDSPGJREPNXYLB-MHZLTWQESA-N 1 0 481.552 5.171 50 0 JKAARO CC[N@H+](CCNC(=O)c1cccc(Nc2ccc(-c3cccc(C)c3)nn2)c1)Cc1ccccc1 ZINC000032996944 569610826 /nfs/dbraw/zinc/61/08/26/569610826.db2.gz SREXENRNLADIIC-UHFFFAOYSA-N 1 0 465.601 5.448 50 0 JKAARO Cc1ccc(Cl)cc1N1CC[NH+](CCNc2nc3ccccc3c3nc(-c4ccccc4)nn32)CC1 ZINC000063494559 569615345 /nfs/dbraw/zinc/61/53/45/569615345.db2.gz ZAGIQVVCSCYPHQ-UHFFFAOYSA-N 1 0 498.034 5.140 50 0 JKAARO Cc1c(C[NH2+]CCC[N@H+](Cc2ccccc2)C(C)C)c(C(=O)[O-])c(C)n1Cc1cc(C)ccc1C ZINC000063666796 569615904 /nfs/dbraw/zinc/61/59/04/569615904.db2.gz MDLLTXAZVCQAGB-UHFFFAOYSA-N 1 0 475.677 5.859 50 0 JKAARO CC[N@H+](CCC[NH2+]Cc1c(C)n(Cc2ccc(Cl)cc2)c(C)c1C(=O)[O-])Cc1ccccc1 ZINC000063666786 569615914 /nfs/dbraw/zinc/61/59/14/569615914.db2.gz NDVFDVXTNMXSGO-UHFFFAOYSA-N 1 0 468.041 5.507 50 0 JKAARO CC[N@H+](CCC[NH2+]Cc1c(C)n(Cc2cccc(Cl)c2)c(C)c1C(=O)[O-])Cc1ccccc1 ZINC000063666792 569616034 /nfs/dbraw/zinc/61/60/34/569616034.db2.gz GWJGPUKCIIXPLZ-UHFFFAOYSA-N 1 0 468.041 5.507 50 0 JKAARO O=C(NCCC[NH+]1CCCC1)c1sc2c(cnc3ccccc23)c1-c1ccc(Cl)cc1 ZINC000064588553 569620868 /nfs/dbraw/zinc/62/08/68/569620868.db2.gz YNUPXCDLIGKPFU-UHFFFAOYSA-N 1 0 450.007 5.986 50 0 JKAARO CCC[NH+]1CCN(c2nn3c(nc(-c4ccc(C)c(C)c4)c3NC3CCCCC3)s2)CC1 ZINC000064746077 569625173 /nfs/dbraw/zinc/62/51/73/569625173.db2.gz HDQIWQMSOTVCHH-UHFFFAOYSA-N 1 0 452.672 5.351 50 0 JKAARO CCC[NH+]1CCN(c2nn3c(nc(-c4cccc(F)c4)c3NC3CCCCCC3)s2)CC1 ZINC000064746084 569625175 /nfs/dbraw/zinc/62/51/75/569625175.db2.gz RYOVURLOWJZQMG-UHFFFAOYSA-N 1 0 456.635 5.264 50 0 JKAARO c1ccc(-c2nc3sc(N4CC[NH+](C5CCCCC5)CC4)nn3c2NC2CCCCC2)cc1 ZINC000064746109 569625200 /nfs/dbraw/zinc/62/52/00/569625200.db2.gz XAWNFWKXJOWUOW-UHFFFAOYSA-N 1 0 464.683 5.657 50 0 JKAARO Cc1ccc(-c2nc3sc(N4CC[NH+](C5CCCCC5)CC4)nn3c2NC2CCCCC2)cc1C ZINC000064746105 569625205 /nfs/dbraw/zinc/62/52/05/569625205.db2.gz GTWFPNOMOMOMCT-UHFFFAOYSA-N 1 0 492.737 6.274 50 0 JKAARO Clc1cccc(-c2nc3sc(N4CC[NH+](C5CCCCC5)CC4)nn3c2NC2CCCCC2)c1 ZINC000064746103 569625207 /nfs/dbraw/zinc/62/52/07/569625207.db2.gz LWOGPXCHBOQNIM-UHFFFAOYSA-N 1 0 499.128 6.311 50 0 JKAARO CCC[NH+]1CCN(c2nn3c(nc(-c4ccc(SC)cc4)c3NC3CCCC3)s2)CC1 ZINC000064746071 569625231 /nfs/dbraw/zinc/62/52/31/569625231.db2.gz QPUKBTNNZNYDGN-UHFFFAOYSA-N 1 0 456.685 5.066 50 0 JKAARO Cc1cccc(-c2nc3sc(N4CC[NH+](C5CCCCC5)CC4)nn3c2NC2CCCCCC2)c1 ZINC000064746115 569625318 /nfs/dbraw/zinc/62/53/18/569625318.db2.gz GKAVVRXPZBBUOU-UHFFFAOYSA-N 1 0 492.737 6.356 50 0 JKAARO COc1ccc(-c2nc3sc(N4CC[NH+](C5CCCCC5)CC4)nn3c2NC(C)(C)C)cc1 ZINC000064746124 569625382 /nfs/dbraw/zinc/62/53/82/569625382.db2.gz KGNDLDYZPLIACD-UHFFFAOYSA-N 1 0 468.671 5.132 50 0 JKAARO Cc1ccccc1C[NH+]1CCN(c2nn3c(nc(-c4ccccc4)c3NC3CCCC3)s2)CC1 ZINC000064746742 569625733 /nfs/dbraw/zinc/62/57/33/569625733.db2.gz DCTBUTYUALNNEN-UHFFFAOYSA-N 1 0 472.662 5.443 50 0 JKAARO Cc1ccc(Cn2cc([C@@H](CC(=O)NCC[NH+](C)C)c3ccc(F)cc3)c3ccccc32)cc1 ZINC000033784434 569634859 /nfs/dbraw/zinc/63/48/59/569634859.db2.gz NQGMAITWKVJPGC-SANMLTNESA-N 1 0 457.593 5.337 50 0 JKAARO [NH3+]CCCCNC(=O)/C(NC(=O)c1ccccc1)=C(/Sc1ccc(Cl)cc1)c1ccccc1 ZINC000033862676 569636526 /nfs/dbraw/zinc/63/65/26/569636526.db2.gz QAOQRIMNULHZMV-VHXPQNKSSA-N 1 0 480.033 5.086 50 0 JKAARO c1ccc(COc2ccccc2O[C@@H](CCN2CC[NH+](Cc3ccccc3)CC2)c2ccccc2)cc1 ZINC000033876656 569636933 /nfs/dbraw/zinc/63/69/33/569636933.db2.gz NOVKCRPJQZXSJH-HKBQPEDESA-N 1 0 492.663 6.594 50 0 JKAARO O[C@@H]1C[C@H](c2ccc(Br)cc2)[NH2+][C@H](c2ccc(Br)cc2)[C@@H]1c1ccccc1 ZINC000033901435 569637176 /nfs/dbraw/zinc/63/71/76/569637176.db2.gz FXLMKLWTDDMCBW-SSGKUCQKSA-N 1 0 487.235 6.132 50 0 JKAARO Cc1ccc(C[N@H+](CCC(C)C)Cc2ccc(C(=O)NCc3cccc(C(F)(F)F)c3)o2)s1 ZINC000034670185 569640697 /nfs/dbraw/zinc/64/06/97/569640697.db2.gz JMQCBYIXSBIYBK-UHFFFAOYSA-N 1 0 478.580 6.647 50 0 JKAARO CC[C@H](Oc1ccc2c(c1)[C@H](c1ccccc1)[N@@H+](Cc1cccc(C)c1)CC2)C(=O)NCC(C)C ZINC000034671629 569640777 /nfs/dbraw/zinc/64/07/77/569640777.db2.gz CAERHAIDLRUAHF-KYJUHHDHSA-N 1 0 470.657 6.072 50 0 JKAARO O=C(NCc1cccc(C(F)(F)F)c1)[C@@H]1CC[C@H](c2ccccc2)[N@H+](Cc2ccc(F)cc2)C1 ZINC000034669610 569640788 /nfs/dbraw/zinc/64/07/88/569640788.db2.gz YNHMAMILAZCHDB-RCZVLFRGSA-N 1 0 470.510 6.114 50 0 JKAARO CC[C@@H](Oc1ccc2c(c1)[C@H](c1ccccc1)[N@@H+](Cc1cccc(C)c1)CC2)C(=O)NCC(C)C ZINC000034671631 569640792 /nfs/dbraw/zinc/64/07/92/569640792.db2.gz CAERHAIDLRUAHF-IHLOFXLRSA-N 1 0 470.657 6.072 50 0 JKAARO CC[C@H](Oc1ccc2c(c1)[C@H](c1ccccc1)[N@@H+](Cc1ccccc1)CC2)C(=O)NCc1ccncc1 ZINC000034671574 569640824 /nfs/dbraw/zinc/64/08/24/569640824.db2.gz POXGBABHUZQVAD-CONSDPRKSA-N 1 0 491.635 5.703 50 0 JKAARO CC[C@@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@@H+](Cc1cccc(C)c1)CC2)C(=O)NC(C)C ZINC000034671677 569640920 /nfs/dbraw/zinc/64/09/20/569640920.db2.gz WSKMESBHYOFRMV-FQLXRVMXSA-N 1 0 456.630 5.825 50 0 JKAARO CC[C@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@@H+](Cc1cccc(C)c1)CC2)C(=O)NCc1ccco1 ZINC000034671653 569641004 /nfs/dbraw/zinc/64/10/04/569641004.db2.gz WIGVXPPVVIUFFQ-IOWSJCHKSA-N 1 0 494.635 6.210 50 0 JKAARO Cc1ccccc1C(=O)N(Cc1cccc(F)c1)c1ccc(CC(=O)NCC[NH+]2CCCCC2)cc1 ZINC000034680030 569642890 /nfs/dbraw/zinc/64/28/90/569642890.db2.gz IEPDJTVJVBSHRK-UHFFFAOYSA-N 1 0 487.619 5.126 50 0 JKAARO COc1cc(C[N@@H+]2CCCN(c3ccc(NC(=O)c4ccc(C(C)(C)C)cc4)cn3)CC2)ccc1O ZINC000034681647 569643252 /nfs/dbraw/zinc/64/32/52/569643252.db2.gz YXIBWYZGNGVXLP-UHFFFAOYSA-N 1 0 488.632 5.058 50 0 JKAARO CC(C)(C)c1ccc(C(=O)Nc2ccc(N3CCC[N@H+](Cc4ccccc4Cl)CC3)nc2)cc1 ZINC000034681629 569643260 /nfs/dbraw/zinc/64/32/60/569643260.db2.gz OMJFRARSNQTUHR-UHFFFAOYSA-N 1 0 477.052 5.997 50 0 JKAARO Cc1ccc(C[N@@H+]2CCCN(c3ccc(NC(=O)c4ccc(C(C)(C)C)cc4)cn3)CC2)cc1 ZINC000034681628 569643361 /nfs/dbraw/zinc/64/33/61/569643361.db2.gz JWWMFAVVDJJZGR-UHFFFAOYSA-N 1 0 456.634 5.652 50 0 JKAARO O=C(Nc1ccc(N2CCC[N@H+](Cc3ccccc3)CC2)nc1)c1ccccc1C(F)(F)F ZINC000034681953 569643817 /nfs/dbraw/zinc/64/38/17/569643817.db2.gz CIZVFGNTOCOPCC-UHFFFAOYSA-N 1 0 454.496 5.065 50 0 JKAARO CC(C)c1ccc(C[N@@H+]2CCCN(c3ccc(NC(=O)c4ccccc4C(F)(F)F)cn3)CC2)cc1 ZINC000034681956 569643847 /nfs/dbraw/zinc/64/38/47/569643847.db2.gz BKKFLFDTPDUZIH-UHFFFAOYSA-N 1 0 496.577 6.188 50 0 JKAARO COc1ccc(C(=O)N(c2ccc(F)cc2)C2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)cc1 ZINC000034682598 569643927 /nfs/dbraw/zinc/64/39/27/569643927.db2.gz WUBFMNLXNQNRFC-UHFFFAOYSA-N 1 0 460.593 6.269 50 0 JKAARO COc1ccccc1C(=O)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000034682671 569643974 /nfs/dbraw/zinc/64/39/74/569643974.db2.gz MZSNRLOTWWFEFY-UHFFFAOYSA-N 1 0 452.957 5.799 50 0 JKAARO COc1ccc(C(=O)N(c2ccccc2)C2CC[NH+](Cc3cc(OC)ccc3OC)CC2)cc1 ZINC000034682508 569643988 /nfs/dbraw/zinc/64/39/88/569643988.db2.gz QRSCZBWRTYVPPD-UHFFFAOYSA-N 1 0 460.574 5.024 50 0 JKAARO CC(C)CC(=O)N(c1ccc(F)cc1)C1CC[NH+](Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000034682603 569644016 /nfs/dbraw/zinc/64/40/16/569644016.db2.gz JAZXMKPCIASGJK-UHFFFAOYSA-N 1 0 460.593 6.662 50 0 JKAARO COc1ccc(C(=O)N(c2ccc(F)cc2)C2CC[NH+](Cc3cc(OC)ccc3OC)CC2)cc1 ZINC000034682597 569644029 /nfs/dbraw/zinc/64/40/29/569644029.db2.gz FSKPGYAYDRSFRY-UHFFFAOYSA-N 1 0 478.564 5.163 50 0 JKAARO COc1ccc(C[NH+]2CCC(N(C(=O)c3ccc(C)cc3)c3ccc(C)cc3)CC2)c(OC)c1 ZINC000034682952 569644140 /nfs/dbraw/zinc/64/41/40/569644140.db2.gz CZPFGUXAOAMLPK-UHFFFAOYSA-N 1 0 458.602 5.632 50 0 JKAARO COc1ccc(N(C(=O)c2ccccc2)C2CC[NH+](Cc3cccc(OC)c3OC)CC2)cc1OC ZINC000034682868 569644186 /nfs/dbraw/zinc/64/41/86/569644186.db2.gz FGVTTZCBRXUXMT-UHFFFAOYSA-N 1 0 490.600 5.032 50 0 JKAARO COc1ccccc1C(=O)N(c1cccc(C)c1)C1CC[NH+](Cc2cccc(OC)c2OC)CC1 ZINC000034683050 569644188 /nfs/dbraw/zinc/64/41/88/569644188.db2.gz VDNJCWROLVQXCS-UHFFFAOYSA-N 1 0 474.601 5.332 50 0 JKAARO COc1cccc(N(C(=O)c2cccs2)C2CC[NH+](Cc3cccc(Oc4ccccc4)c3)CC2)c1 ZINC000034683156 569644256 /nfs/dbraw/zinc/64/42/56/569644256.db2.gz SFQWTBOGXXZFDZ-UHFFFAOYSA-N 1 0 498.648 6.860 50 0 JKAARO Cc1ccc(N(C2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000034683762 569644669 /nfs/dbraw/zinc/64/46/69/569644669.db2.gz MRGUPXOFKQBMLZ-UHFFFAOYSA-N 1 0 497.104 6.632 50 0 JKAARO Cc1ccccc1S(=O)(=O)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC000034683723 569644681 /nfs/dbraw/zinc/64/46/81/569644681.db2.gz CURNWSJTWNXRQE-UHFFFAOYSA-N 1 0 480.649 6.117 50 0 JKAARO Cc1ccc(C[NH+]2CCC(N(c3ccc(F)cc3)S(=O)(=O)c3ccccc3)CC2)cc1C ZINC000034683910 569644773 /nfs/dbraw/zinc/64/47/73/569644773.db2.gz RTBQNOOGDXZKBU-UHFFFAOYSA-N 1 0 452.595 5.302 50 0 JKAARO C[C@@H](NC(=O)c1coc(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)n1)c1ccccc1 ZINC000034684539 569644905 /nfs/dbraw/zinc/64/49/05/569644905.db2.gz OTTKFKAOQGPNRL-HSZRJFAPSA-N 1 0 480.612 5.073 50 0 JKAARO COc1ccc(C(=O)N2C[C@H](C[NH+]3CCC(Cc4ccccc4)CC3)[C@H](c3ccccc3)C2)cc1OC ZINC000034697591 569647569 /nfs/dbraw/zinc/64/75/69/569647569.db2.gz DWIDZWIKQDMMGE-VMPREFPWSA-N 1 0 498.667 5.514 50 0 JKAARO O=C(c1cccs1)N1C[C@@H](c2cccc(C(F)(F)F)c2)[C@H](C[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000034698057 569647654 /nfs/dbraw/zinc/64/76/54/569647654.db2.gz MQMSXNNVFXTIQT-QPPBQGQZSA-N 1 0 499.602 5.445 50 0 JKAARO COc1ccccc1[C@@H]1C[N@H+](Cc2cccc(C)n2)C[C@H]1CN(CC(C)C)C(=O)c1ccccc1 ZINC000034698905 569647951 /nfs/dbraw/zinc/64/79/51/569647951.db2.gz HYBPGDRJOJZFDT-LBNVMWSVSA-N 1 0 471.645 5.413 50 0 JKAARO Cc1ccccc1[C@H]1C[N@H+](Cc2ccc[nH]2)C[C@@H]1CN(C(=O)c1ccccc1)C1CCCCC1 ZINC000034698885 569647995 /nfs/dbraw/zinc/64/79/95/569647995.db2.gz KUWZPYDMNUZOKM-IRPSRAIASA-N 1 0 455.646 6.014 50 0 JKAARO Cc1ccccc1[C@@H]1C[N@H+](Cc2cccs2)C[C@@H]1CN(C(=O)c1ccccc1)C1CCCCC1 ZINC000034698870 569647998 /nfs/dbraw/zinc/64/79/98/569647998.db2.gz VUGQTLDSYHGAFJ-VAVYLYDRSA-N 1 0 472.698 6.747 50 0 JKAARO Cc1ccccc1[C@H]1C[N@H+](Cc2cccs2)C[C@@H]1CN(C(=O)c1ccccc1)C1CCCCC1 ZINC000034698871 569648033 /nfs/dbraw/zinc/64/80/33/569648033.db2.gz VUGQTLDSYHGAFJ-IRPSRAIASA-N 1 0 472.698 6.747 50 0 JKAARO Cc1ccccc1[C@H]1C[N@H+](Cc2ccsc2)C[C@@H]1CN(C(=O)c1ccccc1)C1CCCCC1 ZINC000034698875 569648041 /nfs/dbraw/zinc/64/80/41/569648041.db2.gz XRASHGBJFYUEFB-UHSQPCAPSA-N 1 0 472.698 6.747 50 0 JKAARO Cc1ccccc1[C@H]1C[N@@H+](Cc2ccsc2)C[C@@H]1CN(C(=O)c1ccc(F)cc1)C(C)C ZINC000034698759 569648086 /nfs/dbraw/zinc/64/80/86/569648086.db2.gz GNVVTOXVDBBFOC-BVAGGSTKSA-N 1 0 450.623 5.962 50 0 JKAARO COc1ccccc1[C@@H]1C[N@H+](Cc2ccc(C)s2)C[C@@H]1CN(CC(C)C)C(=O)c1ccccc1 ZINC000034698906 569648242 /nfs/dbraw/zinc/64/82/42/569648242.db2.gz QNMGOQHXBZGOJY-SHQCIBLASA-N 1 0 476.686 6.079 50 0 JKAARO CC(C)N(C[C@H]1C[N@H+](Cc2cccs2)C[C@@H]1c1ccc(F)cc1)C(=O)c1ccc(F)cc1 ZINC000034699053 569648330 /nfs/dbraw/zinc/64/83/30/569648330.db2.gz CJAYYLNTBKKYIU-PXDATVDWSA-N 1 0 454.586 5.793 50 0 JKAARO COc1cccc([C@H]2C[N@H+](Cc3ccco3)C[C@H]2CN(CC(C)C)C(=O)c2ccc(F)cc2)c1 ZINC000034698912 569648360 /nfs/dbraw/zinc/64/83/60/569648360.db2.gz QFSXUIVQGITYFC-WNCULLNHSA-N 1 0 464.581 5.441 50 0 JKAARO CC(C)N(C[C@H]1C[N@H+](Cc2cccc(F)c2)C[C@@H]1c1ccc(F)cc1)C(=O)c1ccc(F)cc1 ZINC000034699061 569648449 /nfs/dbraw/zinc/64/84/49/569648449.db2.gz BTRKLAUCLBCPNJ-YIXXDRMTSA-N 1 0 466.547 5.870 50 0 JKAARO COc1ccccc1[C@@H]1C[N@H+](Cc2ccc(C)o2)C[C@@H]1CN(Cc1ccccc1)C(=O)C(C)C ZINC000034699228 569648461 /nfs/dbraw/zinc/64/84/61/569648461.db2.gz UUULAZICRIRMQA-SHQCIBLASA-N 1 0 460.618 5.497 50 0 JKAARO COc1ccc([C@H]2C[N@H+](CC3CCCCC3)C[C@H]2CN(Cc2ccc(F)cc2)C(C)=O)cc1 ZINC000034699340 569648504 /nfs/dbraw/zinc/64/85/04/569648504.db2.gz JMSPBKSCFFBBSE-LBNVMWSVSA-N 1 0 452.614 5.479 50 0 JKAARO CC(=O)N(Cc1ccc(F)cc1)C[C@H]1C[N@H+](Cc2sccc2C)C[C@@H]1c1ccc(C)cc1 ZINC000034699267 569648506 /nfs/dbraw/zinc/64/85/06/569648506.db2.gz FARGFZFAMCIMCX-AOYPEHQESA-N 1 0 450.623 5.768 50 0 JKAARO COc1ccc(C[N@H+]2C[C@@H](c3ccc(C)cc3)[C@@H](CN(Cc3ccc(F)cc3)C(C)=O)C2)cc1 ZINC000034699260 569648535 /nfs/dbraw/zinc/64/85/35/569648535.db2.gz ICLOPCRSKOTYNV-UHSQPCAPSA-N 1 0 460.593 5.407 50 0 JKAARO COc1ccc(C[N@@H+]2C[C@@H](CN(Cc3ccc(F)cc3)C(C)=O)[C@@H](c3ccc(OC)cc3)C2)cc1 ZINC000034699330 569648541 /nfs/dbraw/zinc/64/85/41/569648541.db2.gz KLKMGKMLPXUKOM-ABYGYWHVSA-N 1 0 476.592 5.107 50 0 JKAARO COc1ccc([C@@H]2C[N@H+](Cc3cccc(C)c3)C[C@H]2CN(Cc2ccc(F)cc2)C(C)=O)cc1 ZINC000034699359 569648628 /nfs/dbraw/zinc/64/86/28/569648628.db2.gz SGQBSSUHBVSQKM-WNJJXGMVSA-N 1 0 460.593 5.407 50 0 JKAARO C[C@@H]1CN(c2nc3cc(Cl)ccc3c3nnc(-c4cccs4)n32)CCN1Cc1ccccc1F ZINC000034707898 569650148 /nfs/dbraw/zinc/65/01/48/569650148.db2.gz MHAYIKSPAWPOMJ-MRXNPFEDSA-N 1 0 493.011 5.509 50 0 JKAARO Fc1ccccc1C[N@@H+]1CCCN(c2nc3cc(Cl)ccc3c3nnc(C4CCCCC4)n32)CC1 ZINC000034707926 569650158 /nfs/dbraw/zinc/65/01/58/569650158.db2.gz OEJYDAZWHRELHM-UHFFFAOYSA-N 1 0 493.030 5.830 50 0 JKAARO Cn1cccc1C[N@@H+]1CCCN(c2nc3cc(Cl)ccc3c3nnc(C4CCCCC4)n32)CC1 ZINC000034707929 569650172 /nfs/dbraw/zinc/65/01/72/569650172.db2.gz RKKUVWYYSRWOSB-UHFFFAOYSA-N 1 0 478.044 5.029 50 0 JKAARO Cc1ccc(C[N@@H+]2CCCN(c3nc4cc(Cl)ccc4c4nnc(-c5cccs5)n43)CC2)o1 ZINC000034707912 569650201 /nfs/dbraw/zinc/65/02/01/569650201.db2.gz GBQIXWJMIPVYQW-UHFFFAOYSA-N 1 0 479.009 5.273 50 0 JKAARO COc1ccc(CCNC(=O)[C@@H]2C[C@@H](c3cccc(C)c3)C[N@H+](Cc3ccccc3F)C2)cc1 ZINC000034711428 569650829 /nfs/dbraw/zinc/65/08/29/569650829.db2.gz LCEMTHGHRHBMCJ-CLJLJLNGSA-N 1 0 460.593 5.107 50 0 JKAARO COc1ccc(CCNC(=O)[C@@H]2C[C@H](c3cccc(C)c3)C[N@H+](Cc3cccc(F)c3)C2)cc1 ZINC000034711505 569650841 /nfs/dbraw/zinc/65/08/41/569650841.db2.gz SLUQSLYJFCDIDV-IZZNHLLZSA-N 1 0 460.593 5.107 50 0 JKAARO COc1ccc(CCNC(=O)[C@H]2C[C@H](c3cccc(C)c3)C[N@H+](Cc3ccccc3F)C2)cc1 ZINC000034711427 569650871 /nfs/dbraw/zinc/65/08/71/569650871.db2.gz LCEMTHGHRHBMCJ-UIOOFZCWSA-N 1 0 460.593 5.107 50 0 JKAARO COCCC[N@H+](CC(=O)N1CCS[C@H]1c1ccc(F)cc1)Cc1ccc(C(C)(C)C)cc1 ZINC000034714723 569651557 /nfs/dbraw/zinc/65/15/57/569651557.db2.gz WKFYTYCQGLFRDF-VWLOTQADSA-N 1 0 458.643 5.236 50 0 JKAARO CC(=O)N1CCc2cc(-c3ccc(C(=O)NCC4CC[NH+](Cc5ccccc5F)CC4)cc3)ccc21 ZINC000065027019 569651622 /nfs/dbraw/zinc/65/16/22/569651622.db2.gz SDCJLDVBOUBZOX-UHFFFAOYSA-N 1 0 485.603 5.044 50 0 JKAARO COc1cc(C[N@@H+]2C[C@H](C(=O)N[C@@H](C)c3ccccc3)C[C@H](c3ccc(F)c(C)c3)C2)cc(OC)c1 ZINC000034716729 569651664 /nfs/dbraw/zinc/65/16/64/569651664.db2.gz HVCVFPRPDMCTRX-OUIFVKKZSA-N 1 0 490.619 5.634 50 0 JKAARO O=C(NCc1cccc(F)c1)[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+](Cc2ccc(F)cc2F)C1 ZINC000034716756 569651724 /nfs/dbraw/zinc/65/17/24/569651724.db2.gz QQDBQAHLJNTDJQ-LEWJYISDSA-N 1 0 456.483 5.165 50 0 JKAARO Cc1cc([C@@H]2C[C@@H](C(=O)N[C@@H](C)c3ccccc3)C[N@@H+](Cc3ccccc3Cl)C2)ccc1F ZINC000034716688 569651749 /nfs/dbraw/zinc/65/17/49/569651749.db2.gz RXVYFVAAOOIJSL-BUUDZMLXSA-N 1 0 465.012 6.271 50 0 JKAARO COc1cc(C[N@@H+]2C[C@H](C(=O)N[C@@H](C)c3ccccc3)C[C@@H](c3ccc(F)c(C)c3)C2)cc(OC)c1 ZINC000034716728 569651752 /nfs/dbraw/zinc/65/17/52/569651752.db2.gz HVCVFPRPDMCTRX-RMUDUWAUSA-N 1 0 490.619 5.634 50 0 JKAARO COc1ccc(NC(=O)[C@H]2C[C@H](c3ccc(F)c(C)c3)C[N@H+](Cc3ccccc3Cl)C2)cc1 ZINC000034716683 569651777 /nfs/dbraw/zinc/65/17/77/569651777.db2.gz ZAXWZCNDEVHJJM-VXKWHMMOSA-N 1 0 466.984 6.041 50 0 JKAARO Cc1cc([C@@H]2C[C@H](C(=O)N(C)Cc3ccccc3)C[N@@H+](Cc3ccccc3Cl)C2)ccc1F ZINC000034716824 569651858 /nfs/dbraw/zinc/65/18/58/569651858.db2.gz UYJWXNNRHYKFDR-RPBOFIJWSA-N 1 0 465.012 6.052 50 0 JKAARO Cc1ccc(C(=O)N2CCC[C@H]3CCCC[C@H]32)c(C2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)n1 ZINC000034726144 569652787 /nfs/dbraw/zinc/65/27/87/569652787.db2.gz ZPEPETZSKKWWOK-GGXMVOPNSA-N 1 0 473.705 6.688 50 0 JKAARO Cc1ccc(C(=O)NCc2ccccc2C)c(C2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)n1 ZINC000034726092 569652816 /nfs/dbraw/zinc/65/28/16/569652816.db2.gz QLLCXRYBBIPSGU-UHFFFAOYSA-N 1 0 455.646 6.131 50 0 JKAARO COc1ccccc1N1CC[NH+](CC[C@@H](Oc2ccc(F)c(Cl)c2)c2cccc(F)c2)CC1 ZINC000034727739 569652936 /nfs/dbraw/zinc/65/29/36/569652936.db2.gz BIIVIUYJNDILFZ-RUZDIDTESA-N 1 0 472.963 5.959 50 0 JKAARO Cc1ccccc1[C@H](CC[NH+]1CCN(c2ccccc2Cl)CC1)Oc1ccc(F)cc1Cl ZINC000034726629 569653093 /nfs/dbraw/zinc/65/30/93/569653093.db2.gz PENJURXHYGVIOV-VWLOTQADSA-N 1 0 473.419 6.773 50 0 JKAARO COc1ccccc1N1CC[NH+](CC[C@@H](Oc2cc(C)ccc2Cl)c2ccccc2F)CC1 ZINC000034728168 569653185 /nfs/dbraw/zinc/65/31/85/569653185.db2.gz AWUABGOAOFIRIV-RUZDIDTESA-N 1 0 469.000 6.129 50 0 JKAARO COc1ccccc1CCNC(=O)[C@H]1C[C@@H](c2cccc(C)c2)C[N@H+](Cc2cccc(F)c2)C1 ZINC000034733673 569653410 /nfs/dbraw/zinc/65/34/10/569653410.db2.gz FLOBESPAVDAICB-FTJBHMTQSA-N 1 0 460.593 5.107 50 0 JKAARO COc1ccc(NC(=O)[C@@H]2C[C@@H](c3ccccc3)C[N@H+](Cc3ccc(F)cc3F)C2)c(OC)c1 ZINC000034733445 569653543 /nfs/dbraw/zinc/65/35/43/569653543.db2.gz JVMLLBZFXANGEU-NHCUHLMSSA-N 1 0 466.528 5.226 50 0 JKAARO Cc1cccc([C@@H]2C[C@H](C(=O)N3CCN(c4ccccc4F)CC3)C[N@H+](Cc3ccccc3)C2)c1 ZINC000034733587 569653553 /nfs/dbraw/zinc/65/35/53/569653553.db2.gz HYMBZCUTRKQPOP-SXOMAYOGSA-N 1 0 471.620 5.089 50 0 JKAARO Cc1cccc([C@H]2C[C@@H](C(=O)N3CCN(c4ccccc4F)CC3)C[N@H+](Cc3ccccc3)C2)c1 ZINC000034733596 569653570 /nfs/dbraw/zinc/65/35/70/569653570.db2.gz HYMBZCUTRKQPOP-RRPNLBNLSA-N 1 0 471.620 5.089 50 0 JKAARO Cc1ccc(-c2ncn(C3CCCCC3)c2-c2ccc(C(=O)NCCC[N@H+]3CCCC[C@@H]3C)o2)cc1 ZINC000065036838 569653662 /nfs/dbraw/zinc/65/36/62/569653662.db2.gz RSWUOYQDYISGMH-QHCPKHFHSA-N 1 0 488.676 6.618 50 0 JKAARO Cc1ccc(-c2ncn(C3CCCCC3)c2-c2ccc(C(=O)NCCC[N@H+]3CCCC[C@H]3C)o2)cc1 ZINC000065036839 569653705 /nfs/dbraw/zinc/65/37/05/569653705.db2.gz RSWUOYQDYISGMH-HSZRJFAPSA-N 1 0 488.676 6.618 50 0 JKAARO Cc1ccc(-c2ncn(C3CCCCC3)c2-c2ccc(C(=O)NCC[C@H](C)[NH+]3CCCC3)o2)cc1 ZINC000065036861 569653715 /nfs/dbraw/zinc/65/37/15/569653715.db2.gz YHUYDACQTPLJGX-QFIPXVFZSA-N 1 0 474.649 6.228 50 0 JKAARO O=C(NCCC[NH+]1CCCC1)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCC2)o1 ZINC000065054980 569653857 /nfs/dbraw/zinc/65/38/57/569653857.db2.gz OEZTUYMLAREQDZ-UHFFFAOYSA-N 1 0 450.558 5.280 50 0 JKAARO O=C(NCCC[NH+]1CCCCC1)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCCC2)o1 ZINC000065055113 569654023 /nfs/dbraw/zinc/65/40/23/569654023.db2.gz YYHVLITUKLRVNL-UHFFFAOYSA-N 1 0 478.612 6.060 50 0 JKAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCCC2)o1 ZINC000065055125 569654039 /nfs/dbraw/zinc/65/40/39/569654039.db2.gz IFMSRKTYOQOYMY-HXUWFJFHSA-N 1 0 478.612 6.059 50 0 JKAARO COc1cccc([C@H](CC[NH+]2CCN(c3ccc(F)cc3)CC2)Oc2ccc(C(C)C)cc2)c1 ZINC000034740044 569655056 /nfs/dbraw/zinc/65/50/56/569655056.db2.gz ZBWMHVCEJQXERK-LJAQVGFWSA-N 1 0 462.609 6.290 50 0 JKAARO CCOC(=O)[C@@H]1CCCN(C(=O)[C@H]2CC[C@H](c3ccccc3)[N@H+](Cc3cccc(Cl)c3)C2)C1 ZINC000034739932 569655063 /nfs/dbraw/zinc/65/50/63/569655063.db2.gz YJDWVSYNFLLGEO-JBRSBNLGSA-N 1 0 469.025 5.095 50 0 JKAARO CC(C)c1ccc(O[C@@H](CC[NH+]2CCN(c3ccc(F)cc3)CC2)c2ccccc2F)cc1 ZINC000034740040 569655152 /nfs/dbraw/zinc/65/51/52/569655152.db2.gz MKBAJXXFPZTWLU-NDEPHWFRSA-N 1 0 450.573 6.421 50 0 JKAARO CCCCOc1ccc(CNC(=O)C2CC[NH+](Cc3cn(C)c4ccc(Cl)cc34)CC2)cc1 ZINC000065060104 569655174 /nfs/dbraw/zinc/65/51/74/569655174.db2.gz XXUQZWZCQGVICF-UHFFFAOYSA-N 1 0 468.041 5.539 50 0 JKAARO COc1ccc([C@H](CC[NH+]2CCN(c3ccccc3C)CC2)Oc2ccc(C(C)C)cc2)cc1 ZINC000034740042 569655173 /nfs/dbraw/zinc/65/51/73/569655173.db2.gz LXIAKZNJOVYIQA-PMERELPUSA-N 1 0 458.646 6.459 50 0 JKAARO Cc1cc(O[C@H](CCN2CC[NH+](Cc3ccccc3)CC2)c2ccccc2F)ccc1C(C)C ZINC000034740099 569655240 /nfs/dbraw/zinc/65/52/40/569655240.db2.gz RYXFWQBYJFEHMO-SSEXGKCCSA-N 1 0 460.637 6.586 50 0 JKAARO COc1ccccc1[C@@H](CCN1CC[NH+](Cc2ccccc2)CC1)Oc1ccc(C(C)C)c(C)c1 ZINC000034740139 569655323 /nfs/dbraw/zinc/65/53/23/569655323.db2.gz SOXPZLPOWAIHGP-WJOKGBTCSA-N 1 0 472.673 6.455 50 0 JKAARO Cc1cc(O[C@H](CC[NH+]2CCN(c3ccc(F)cc3)CC2)c2cccs2)ccc1C(C)C ZINC000034740125 569655347 /nfs/dbraw/zinc/65/53/47/569655347.db2.gz INKRACUZGSIJKN-AREMUKBSSA-N 1 0 452.639 6.651 50 0 JKAARO COc1ccccc1N1CC[NH+](CC[C@@H](Oc2ccc(C(C)C)c(C)c2)c2ccc(F)cc2)CC1 ZINC000034740113 569655420 /nfs/dbraw/zinc/65/54/20/569655420.db2.gz KZNSMFXJMOEUHK-GDLZYMKVSA-N 1 0 476.636 6.599 50 0 JKAARO CC(C)c1ccc2c(c1)CC[C@@H]1[C@](C)(C[NH2+]Cc3ccc(OCc4ccccc4)cc3)CCC[C@@]21C ZINC000034780692 569659141 /nfs/dbraw/zinc/65/91/41/569659141.db2.gz YOOHGKDQFVKYOV-WKNISULPSA-N 1 0 481.724 8.189 50 0 JKAARO CC[NH+]1CCN(C2=Nc3ccccc3Oc3ccc(NC(=O)c4ccc(Cl)cc4)cc32)CC1 ZINC000034790984 569660109 /nfs/dbraw/zinc/66/01/09/569660109.db2.gz DYRYJPFBLJKODY-UHFFFAOYSA-N 1 0 460.965 5.414 50 0 JKAARO COc1cccc(CC(=O)Nc2ccc3c(c2)C(N2CC[NH+](C(C)C)CC2)=Nc2ccccc2O3)c1 ZINC000034790616 569660148 /nfs/dbraw/zinc/66/01/48/569660148.db2.gz DDDKBBSWRNZMAX-UHFFFAOYSA-N 1 0 484.600 5.086 50 0 JKAARO CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)[NH2+][C@@H](C)C13CC4CC(CC(C4)C1)C3)C[C@H](C)CC2 ZINC000034805238 569661245 /nfs/dbraw/zinc/66/12/45/569661245.db2.gz JFEMLVUKXMCDEG-KHJUYBBWSA-N 1 0 472.695 5.571 50 0 JKAARO CCOC(=O)c1c(NC(=O)[C@@H]([NH2+]CCc2ccccc2)c2ccccc2)sc2c1CC[C@@H](C)C2 ZINC000034800867 569661260 /nfs/dbraw/zinc/66/12/60/569661260.db2.gz FHJCBZLGQCRZQP-CLOONOSVSA-N 1 0 476.642 5.562 50 0 JKAARO CCCN(Cc1c(C)nn(-c2ccccc2)c1N1CC[NH+](CC)CC1)C(=O)c1ccc2ccccc2c1 ZINC000034814865 569662859 /nfs/dbraw/zinc/66/28/59/569662859.db2.gz QIJVXFYZWFJPFO-UHFFFAOYSA-N 1 0 495.671 5.528 50 0 JKAARO CCc1ccc(C(=O)N(Cc2c(C)nn(-c3ccccc3)c2N2CC[NH+](CC)CC2)CC(C)C)cc1 ZINC000034829541 569663043 /nfs/dbraw/zinc/66/30/43/569663043.db2.gz MZEXHGZRHOQJLU-UHFFFAOYSA-N 1 0 487.692 5.183 50 0 JKAARO CCCN(Cc1c(C)nn(-c2ccccc2)c1N1CC[NH+](CC)CC1)C(=O)Nc1cccc(C)c1 ZINC000034829556 569663265 /nfs/dbraw/zinc/66/32/65/569663265.db2.gz WSALHLKJHLMPPH-UHFFFAOYSA-N 1 0 474.653 5.075 50 0 JKAARO CCCC[C@H](CC)C(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2C)CC1 ZINC000034830333 569663900 /nfs/dbraw/zinc/66/39/00/569663900.db2.gz IRXHKOJMANALLP-KHVXQDHOSA-N 1 0 495.733 5.280 50 0 JKAARO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1[C@@H](C)C(=O)N1CCN(C(=O)CCC2CCCC2)CC1 ZINC000034830318 569663937 /nfs/dbraw/zinc/66/39/37/569663937.db2.gz JUAZDCJVQRSAOU-RBISFHTESA-N 1 0 493.717 5.034 50 0 JKAARO CC[C@H](C)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](CC)CC1)C(=O)CC(C)(C)C ZINC000034832098 569664377 /nfs/dbraw/zinc/66/43/77/569664377.db2.gz YZDALGGOVUIRPM-FQEVSTJZSA-N 1 0 471.665 5.025 50 0 JKAARO CCCC[C@@H](CC)C(=O)N(CCC(C)C)Cc1c(C)nn(-c2ccccc2)c1N1CC[NH+](CC)CC1 ZINC000034832160 569664407 /nfs/dbraw/zinc/66/44/07/569664407.db2.gz HHQIHHIEGQWYTK-AREMUKBSSA-N 1 0 495.756 5.914 50 0 JKAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(-c2ccccc2F)nc2cc(-c3ccccc3)nn21 ZINC000034833963 569664700 /nfs/dbraw/zinc/66/47/00/569664700.db2.gz DVVSWJHIVMKAMV-HXUWFJFHSA-N 1 0 471.580 5.197 50 0 JKAARO Cc1nn(-c2ccccc2)c(N2CC[NH+](C)CC2)c1CN(CC(C)C)C(=O)c1ccc2ccccc2c1 ZINC000034834393 569664761 /nfs/dbraw/zinc/66/47/61/569664761.db2.gz ZQPZVEKWNRWEHS-UHFFFAOYSA-N 1 0 495.671 5.384 50 0 JKAARO CCCN(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](CC)CC1)C(=O)Nc1cccc(C)c1 ZINC000034835808 569665055 /nfs/dbraw/zinc/66/50/55/569665055.db2.gz KZKAWZHDBSJKRF-UHFFFAOYSA-N 1 0 492.643 5.214 50 0 JKAARO CCCC[C@H](CC)C(=O)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](CC)CC1)C1CC1 ZINC000034835607 569665105 /nfs/dbraw/zinc/66/51/05/569665105.db2.gz KTMZOPGVZKKJEN-QFIPXVFZSA-N 1 0 483.676 5.169 50 0 JKAARO CC[NH+]1CCN(c2c(CN(Cc3ccccc3Cl)C(C)C)c(C)nn2-c2ccc(F)cc2)CC1 ZINC000034836386 569665229 /nfs/dbraw/zinc/66/52/29/569665229.db2.gz GXADGLNTFFTERV-UHFFFAOYSA-N 1 0 484.063 5.526 50 0 JKAARO CCCc1nn(-c2cccc(F)c2)c(N2CC[NH+](CC)CC2)c1CN(Cc1ccoc1)CC(C)C ZINC000034836534 569665550 /nfs/dbraw/zinc/66/55/50/569665550.db2.gz GIZVXZOCRDIJBQ-UHFFFAOYSA-N 1 0 481.660 5.357 50 0 JKAARO CCCN(Cc1c(C)nn(-c2ccc(F)cc2)c1N1CC[NH+](C)CC1)Cc1ccccc1Cl ZINC000034836461 569665749 /nfs/dbraw/zinc/66/57/49/569665749.db2.gz IJBZOOYDFNLZLT-UHFFFAOYSA-N 1 0 470.036 5.137 50 0 JKAARO CCc1nn(-c2cccc(C)c2)c(N2CCN(C)CC2)c1C[N@H+](C[C@@H](C)c1ccccc1)C1CC1 ZINC000034836679 569665901 /nfs/dbraw/zinc/66/59/01/569665901.db2.gz CUCBDWNYHIYURQ-XMMPIXPASA-N 1 0 471.693 5.263 50 0 JKAARO CCc1nn(-c2ccccc2)c(N2CC[NH+](CC)CC2)c1CN(Cc1ccccc1F)C(C)C ZINC000034836821 569665920 /nfs/dbraw/zinc/66/59/20/569665920.db2.gz MMKGOPSPLCEXHX-UHFFFAOYSA-N 1 0 463.645 5.126 50 0 JKAARO CCc1nn(-c2cccc(C)c2)c(N2CCN(C)CC2)c1C[N@H+](Cc1sccc1C)C(C)C ZINC000034836633 569665973 /nfs/dbraw/zinc/66/59/73/569665973.db2.gz WQAOIONEYDWOBT-UHFFFAOYSA-N 1 0 465.711 5.275 50 0 JKAARO CCc1nn(-c2cccc(C)c2)c(N2CCN(C)CC2)c1C[N@H+](Cc1cc(C)ccc1C)C(C)C ZINC000034836658 569666020 /nfs/dbraw/zinc/66/60/20/569666020.db2.gz ITGSHSSVWPVFQO-UHFFFAOYSA-N 1 0 473.709 5.522 50 0 JKAARO CCc1nn(-c2cccc(C)c2)c(N2CCN(C)CC2)c1C[N@@H+](CC)Cc1cc(C)ccc1C ZINC000034836780 569666034 /nfs/dbraw/zinc/66/60/34/569666034.db2.gz VGZWXURHOJOXLP-UHFFFAOYSA-N 1 0 459.682 5.134 50 0 JKAARO CCc1nn(-c2cccc(C)c2)c(N2CCN(C)CC2)c1C[N@H+](C[C@H](C)c1ccccc1)C(C)C ZINC000034836640 569666065 /nfs/dbraw/zinc/66/60/65/569666065.db2.gz KHJMSQMYBHSWIX-VWLOTQADSA-N 1 0 473.709 5.509 50 0 JKAARO CCc1nn(-c2cccc(C)c2)c(N2CCN(C)CC2)c1C[N@H+](CCCc1ccccc1)C1CC1 ZINC000034836673 569666109 /nfs/dbraw/zinc/66/61/09/569666109.db2.gz WTBNTHOWLWEXFF-UHFFFAOYSA-N 1 0 471.693 5.092 50 0 JKAARO Cc1ccc(NC(=O)C2CC[NH+](C3CCN(C(=O)c4cccc5ccccc54)CC3)CC2)cc1 ZINC000034912131 569671600 /nfs/dbraw/zinc/67/16/00/569671600.db2.gz RSKCZJIAPBJENE-UHFFFAOYSA-N 1 0 455.602 5.104 50 0 JKAARO Cc1ccc(N(C)c2nc(-c3ccccc3)ncc2C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000034922109 569672751 /nfs/dbraw/zinc/67/27/51/569672751.db2.gz FXCXTDJWIUNYFD-UHFFFAOYSA-N 1 0 491.639 5.614 50 0 JKAARO COc1ccc2cc3cc(C(=O)NCC4CC[NH+](Cc5cccc(F)c5)CC4)sc3nc2c1Cl ZINC000065330833 569674839 /nfs/dbraw/zinc/67/48/39/569674839.db2.gz ZOQJLBOUPIRYLV-UHFFFAOYSA-N 1 0 498.023 5.893 50 0 JKAARO COc1ccc2cc3cc(C(=O)Nc4ccc(C[NH+]5CCC(C)CC5)cc4)sc3nc2c1Cl ZINC000065330819 569674849 /nfs/dbraw/zinc/67/48/49/569674849.db2.gz HQKSBRIPXFQNOQ-UHFFFAOYSA-N 1 0 480.033 6.596 50 0 JKAARO COc1ccc2cc3cc(C(=O)NCC4CC[NH+](Cc5ccc(C)cc5)CC4)sc3nc2c1Cl ZINC000065330824 569674876 /nfs/dbraw/zinc/67/48/76/569674876.db2.gz OXCFKMJGBCGACN-UHFFFAOYSA-N 1 0 494.060 6.062 50 0 JKAARO CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1cc(Cl)ccc1C)C(c1ccc(F)cc1)=N2 ZINC000035372875 569683226 /nfs/dbraw/zinc/68/32/26/569683226.db2.gz IVZHNSSHQVSHTL-UHFFFAOYSA-N 1 0 473.017 5.173 50 0 JKAARO CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1cc(Cl)ccc1C)C(c1ccc(OC)cc1)=N2 ZINC000035372873 569683232 /nfs/dbraw/zinc/68/32/32/569683232.db2.gz IHUXCZONDMRZCU-UHFFFAOYSA-N 1 0 485.053 5.042 50 0 JKAARO CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccc(F)c(Cl)c1)C(c1ccc(F)cc1)=N2 ZINC000035372718 569683292 /nfs/dbraw/zinc/68/32/92/569683292.db2.gz BODFEQFCHLVHSZ-UHFFFAOYSA-N 1 0 476.980 5.003 50 0 JKAARO Cc1ccc(-c2cc3c(N4CC[NH+](C(c5ccccc5)c5ccccc5)CC4)nccn3n2)c(C)c1 ZINC000067285089 569683308 /nfs/dbraw/zinc/68/33/08/569683308.db2.gz XQMJDABIRMLMSS-UHFFFAOYSA-N 1 0 473.624 5.925 50 0 JKAARO Cc1ccccc1-c1cc2c(N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)nccn2n1 ZINC000067285446 569683353 /nfs/dbraw/zinc/68/33/53/569683353.db2.gz BVPVOXFFVOQJDS-UHFFFAOYSA-N 1 0 459.597 5.616 50 0 JKAARO C[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1cccc(Cl)c1)C(c1ccc(C(C)(C)C)cc1)=N2 ZINC000035397154 569687714 /nfs/dbraw/zinc/68/77/14/569687714.db2.gz XDFRQOACWZKRAC-UHFFFAOYSA-N 1 0 483.081 5.633 50 0 JKAARO Cc1cc(C)cc(NC(=O)CSC2=NC3(CC[NH+](C)CC3)N=C2c2ccc(Br)cc2)c1 ZINC000035397185 569687785 /nfs/dbraw/zinc/68/77/85/569687785.db2.gz VIPDKZVKSXQGDA-UHFFFAOYSA-N 1 0 499.478 5.061 50 0 JKAARO Cc1ccc(Cl)cc1NC(=O)CSC1=NC2(CC[NH+](C)CC2)N=C1c1ccc(C(C)(C)C)cc1 ZINC000035397157 569687807 /nfs/dbraw/zinc/68/78/07/569687807.db2.gz WNCWIHVQBUNZDN-UHFFFAOYSA-N 1 0 497.108 5.941 50 0 JKAARO COc1ccc([C@@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)C[NH2+][C@@H]2CCC[C@@H](C)[C@H]2C)cc1 ZINC000035401531 569690963 /nfs/dbraw/zinc/69/09/63/569690963.db2.gz KWTDNYWMQJKEKM-QNGCTEGKSA-N 1 0 469.629 5.940 50 0 JKAARO COc1ccc([C@H]2C=C(c3ccccc3)S[C@@]3(SC[C@@H]4C[NH+]=C(N)S4)CCCC[C@H]23)cc1 ZINC000068686696 569691555 /nfs/dbraw/zinc/69/15/55/569691555.db2.gz OWNRYRHRVALGOO-JTKRFKOTSA-N 1 0 482.740 6.617 50 0 JKAARO CC(C)c1c(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000068787547 569692172 /nfs/dbraw/zinc/69/21/72/569692172.db2.gz SGGICGDAXHWBSV-OAQYLSRUSA-N 1 0 485.554 5.194 50 0 JKAARO CC(C)c1c(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000068787545 569692192 /nfs/dbraw/zinc/69/21/92/569692192.db2.gz SGGICGDAXHWBSV-NRFANRHFSA-N 1 0 485.554 5.194 50 0 JKAARO CC[N@@H+]1CCc2c(sc3c2CN(C(=O)NCCC(C)C)[C@@H](c2ccc(C)cc2)c2cccn2-3)C1 ZINC000035427408 569694197 /nfs/dbraw/zinc/69/41/97/569694197.db2.gz SZHKVZUBLYQMNC-SANMLTNESA-N 1 0 476.690 5.886 50 0 JKAARO CC[N@@H+]1CCc2c(sc3c2CN(C(=O)Nc2ccccc2)[C@@H](c2ccc(C)cc2)c2cccn2-3)C1 ZINC000035427388 569694242 /nfs/dbraw/zinc/69/42/42/569694242.db2.gz NAIUCINKIONNDB-MHZLTWQESA-N 1 0 482.653 6.362 50 0 JKAARO CC[N@@H+]1CCc2c(sc3c2CN(C(=O)Nc2cccc(F)c2)[C@H](c2ccccc2)c2cccn2-3)C1 ZINC000035427452 569694467 /nfs/dbraw/zinc/69/44/67/569694467.db2.gz SGHROLYPANIDSO-AREMUKBSSA-N 1 0 486.616 6.193 50 0 JKAARO CC1CCN(C(=O)C2CC[NH+](Cc3cc4ccccc4n3Cc3ccc(Cl)cc3)CC2)CC1 ZINC000035451420 569696849 /nfs/dbraw/zinc/69/68/49/569696849.db2.gz RMHKNRNKYWHNQF-UHFFFAOYSA-N 1 0 464.053 5.814 50 0 JKAARO CSc1ccccc1CN(C)N1c2ccccc2[C@](CC[NH+]2CCCCC2)(c2ccccc2)C1=O ZINC000071767381 569697491 /nfs/dbraw/zinc/69/74/91/569697491.db2.gz BMRCSXAOYRSVAR-PMERELPUSA-N 1 0 485.697 5.964 50 0 JKAARO COc1ccc(CC[NH2+][C@H](C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c2ccccc2)cc1OC ZINC000035518796 569698701 /nfs/dbraw/zinc/69/87/01/569698701.db2.gz KVKVTXXHHKHGET-QHCPKHFHSA-N 1 0 492.925 5.888 50 0 JKAARO CC(C)[N@H+](CCCNC(=O)CC1CCN(C(=O)Nc2cccc(Cl)c2)CC1)C1CCCCC1 ZINC000035528891 569700008 /nfs/dbraw/zinc/70/00/08/569700008.db2.gz FISDFNFFMDNAOX-UHFFFAOYSA-N 1 0 477.093 5.523 50 0 JKAARO COc1c2c(cc3c1[C@H](C[C@H](O)c1cc4c(cc1C)C(C)(C)[C@H](C)C4(C)C)[N@H+](C)CC3)OCO2 ZINC000072330372 569702733 /nfs/dbraw/zinc/70/27/33/569702733.db2.gz RXLGJHRPYZIAAS-RTFZILSDSA-N 1 0 465.634 5.590 50 0 biogenic JKAARO COc1c2c(cc3c1[C@H](C[C@@H](O)c1cc4c(cc1C)C(C)(C)[C@H](C)C4(C)C)[N@H+](C)CC3)OCO2 ZINC000072330373 569702779 /nfs/dbraw/zinc/70/27/79/569702779.db2.gz RXLGJHRPYZIAAS-PDIWNELESA-N 1 0 465.634 5.590 50 0 biogenic JKAARO COc1cccc(Cn2ncc3ccc(C(=O)NCC4CC[NH+](Cc5ccc(C)cc5)CC4)cc32)c1 ZINC000035559992 569704097 /nfs/dbraw/zinc/70/40/97/569704097.db2.gz SOJSYILNOLPNGJ-UHFFFAOYSA-N 1 0 482.628 5.044 50 0 JKAARO Cc1ccc(C)c(N2CCN(C(=O)C3CC[NH+](Cc4cn(C)c5ccc(Cl)cc45)CC3)CC2)c1 ZINC000035562276 569704838 /nfs/dbraw/zinc/70/48/38/569704838.db2.gz VTEKVTNIBWGZNX-UHFFFAOYSA-N 1 0 479.068 5.009 50 0 JKAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)C[C@H](c1cn(C)c2ccccc12)c1cccc(C(F)(F)F)c1 ZINC000035579587 569704929 /nfs/dbraw/zinc/70/49/29/569704929.db2.gz JAVLINVUXOLEED-YKSBVNFPSA-N 1 0 487.610 6.346 50 0 JKAARO CC(C)(C)c1ccc([C@H](Cn2cnc3c4c(sc3c2=O)SCC(=O)N4)[NH+]2CCCCC2)cc1 ZINC000035671567 569706181 /nfs/dbraw/zinc/70/61/81/569706181.db2.gz KZJYYBDNJFZZAB-SFHVURJKSA-N 1 0 482.675 5.027 50 0 JKAARO Cc1cccc(CN(C(=O)Nc2ccc(Br)cc2)C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000035686851 569706872 /nfs/dbraw/zinc/70/68/72/569706872.db2.gz HCHMGCJRDXNSMV-UHFFFAOYSA-N 1 0 493.449 5.851 50 0 JKAARO Cc1c2cc3c(cc2oc(=O)c1CC(=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)occ3C(C)(C)C ZINC000079192254 569707181 /nfs/dbraw/zinc/70/71/81/569707181.db2.gz XZPWPQUJWAGMDW-FDDCHVKYSA-N 1 0 464.606 5.068 50 0 biogenic JKAARO CC[NH+](CC)CCNC(=O)c1cc(NC(=O)Nc2cccc(Cl)c2)ccc1N1CCC(C)CC1 ZINC000035723183 569708215 /nfs/dbraw/zinc/70/82/15/569708215.db2.gz MNURLUINKWUZQH-UHFFFAOYSA-N 1 0 486.060 5.292 50 0 JKAARO CC1CC[NH+](C[C@H]2CCCN(C(=O)c3ccc(COc4ccc(Br)cc4)o3)C2)CC1 ZINC000084699923 569709580 /nfs/dbraw/zinc/70/95/80/569709580.db2.gz PJJSJEKSRBXTPL-LJQANCHMSA-N 1 0 475.427 5.205 50 0 JKAARO CC[N@H+](CCCNC(=O)c1ccc(Nc2ccnc(-c3ccccc3)n2)cc1)Cc1ccccc1 ZINC000085649879 569712328 /nfs/dbraw/zinc/71/23/28/569712328.db2.gz OSFKRCGRQXWBMY-UHFFFAOYSA-N 1 0 465.601 5.529 50 0 JKAARO Cc1cccc(-c2nccc(Nc3ccc(C(=O)NC4CC[NH+](Cc5ccccc5)CC4)cc3)n2)c1 ZINC000085649356 569712351 /nfs/dbraw/zinc/71/23/51/569712351.db2.gz CQGMTVIHTVRKEA-UHFFFAOYSA-N 1 0 477.612 5.590 50 0 JKAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(Nc2ccnc(-c3cccc(F)c3)n2)cc1 ZINC000085649738 569712381 /nfs/dbraw/zinc/71/23/81/569712381.db2.gz HIYXRDJXSKBORV-UHFFFAOYSA-N 1 0 481.575 5.421 50 0 JKAARO C[N@H+](CCCNC(=O)c1ccc(Nc2ccnc(-c3cccc(F)c3)n2)cc1)Cc1ccccc1 ZINC000085649736 569712396 /nfs/dbraw/zinc/71/23/96/569712396.db2.gz IROBRDUGJSJQIO-UHFFFAOYSA-N 1 0 469.564 5.278 50 0 JKAARO Cc1cc(Nc2nc(C(=O)NCCC[NH+]3CCCCCC3)cc3occc32)ccc1Br ZINC000085651276 569713096 /nfs/dbraw/zinc/71/30/96/569713096.db2.gz VLIURUFQRMYZQC-UHFFFAOYSA-N 1 0 485.426 5.638 50 0 JKAARO Cc1cc(Nc2nc(C(=O)NCCC[N@H+]3CCCC[C@H]3C)cc3occc32)ccc1Br ZINC000085651281 569713108 /nfs/dbraw/zinc/71/31/08/569713108.db2.gz ISGVABAJFFNASI-QGZVFWFLSA-N 1 0 485.426 5.637 50 0 JKAARO Cc1cc(Nc2nc(C(=O)NCC[C@H](C)[NH+]3CCCCCC3)cc3occc32)ccc1Br ZINC000085651309 569713178 /nfs/dbraw/zinc/71/31/78/569713178.db2.gz ZAHQVVODCGQLGH-SFHVURJKSA-N 1 0 499.453 6.027 50 0 JKAARO CN(C)c1ccc(C2=[NH+]O[C@H](CN(Cc3ccccc3)C(=O)Nc3cccc4ccccc43)C2)cc1 ZINC000035835981 569713530 /nfs/dbraw/zinc/71/35/30/569713530.db2.gz XHYAQIBZQDUMTM-SANMLTNESA-N 1 0 478.596 6.133 50 0 JKAARO CCCC(=O)OC[C@@H](O)C[N@H+](Cc1cccn1Cc1ccc(C(C)(C)C)cc1)Cc1ccccc1 ZINC000035840656 569713726 /nfs/dbraw/zinc/71/37/26/569713726.db2.gz PWZPCVANTXBUTN-NDEPHWFRSA-N 1 0 476.661 5.540 50 0 JKAARO COc1ccc(OC[C@@H](O)C[N@@H+](Cc2cccn2Cc2ccccc2)CC2CCCCC2)cc1 ZINC000035840455 569713798 /nfs/dbraw/zinc/71/37/98/569713798.db2.gz WEHJCTGSVGTPCK-MHZLTWQESA-N 1 0 462.634 5.367 50 0 JKAARO COc1cccc(Cn2cccc2C[N@H+](C[C@@H](O)COCc2ccco2)CC2CCCCC2)c1 ZINC000035840868 569713926 /nfs/dbraw/zinc/71/39/26/569713926.db2.gz NMNVSEUYZRJBBV-AREMUKBSSA-N 1 0 466.622 5.098 50 0 JKAARO CCCC[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@H](C)O ZINC000035842637 569714100 /nfs/dbraw/zinc/71/41/00/569714100.db2.gz BDUKVGJIEFBJPW-QHCPKHFHSA-N 1 0 477.693 5.520 50 0 JKAARO CCCC[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@@H](C)O ZINC000035842635 569714122 /nfs/dbraw/zinc/71/41/22/569714122.db2.gz BDUKVGJIEFBJPW-HSZRJFAPSA-N 1 0 477.693 5.520 50 0 JKAARO CC(C)C[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C(C)(C)CO ZINC000035842655 569714207 /nfs/dbraw/zinc/71/42/07/569714207.db2.gz LMQFRKUBRHXOEI-UHFFFAOYSA-N 1 0 491.720 5.766 50 0 JKAARO CC(C)C[N@H+](CC(=O)N1CCS[C@H]1c1ccccc1Cl)Cc1ccc(Cl)c(Cl)c1 ZINC000035843715 569714496 /nfs/dbraw/zinc/71/44/96/569714496.db2.gz KQTYQSFNGXYGMI-QFIPXVFZSA-N 1 0 471.881 6.379 50 0 JKAARO CC(C)C[N@H+](CC(=O)N1CCS[C@H]1c1ccc(F)cc1)Cc1ccc(Br)cc1 ZINC000035843574 569714630 /nfs/dbraw/zinc/71/46/30/569714630.db2.gz YKBZMPREYIDZJW-QFIPXVFZSA-N 1 0 465.432 5.320 50 0 JKAARO CC[C@H](C)[N@H+](CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1ccc(C(C)(C)C)cc1 ZINC000035844786 569715352 /nfs/dbraw/zinc/71/53/52/569715352.db2.gz QJGTYLASPWQGQI-DEOSSOPVSA-N 1 0 474.689 6.758 50 0 JKAARO CCCC[N@H+](CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1ccc(C(C)(C)C)cc1 ZINC000035844749 569715434 /nfs/dbraw/zinc/71/54/34/569715434.db2.gz TXULOXFVVWOZDV-UHFFFAOYSA-N 1 0 474.689 6.759 50 0 JKAARO COCCC[N@H+](CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1cc(C)ccc1C ZINC000035844873 569715543 /nfs/dbraw/zinc/71/55/43/569715543.db2.gz HXDSWCMEGGEVTK-UHFFFAOYSA-N 1 0 462.634 5.315 50 0 JKAARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1 ZINC000085877874 569716036 /nfs/dbraw/zinc/71/60/36/569716036.db2.gz AHYJRBFMXXCQKR-RBJSKKJNSA-N 1 0 467.613 5.600 50 0 biogenic JKAARO CC(C)n1c(C[NH+]2CCC(C)CC2)nc2cc(NC(=O)COc3ccc(Cl)cc3)ccc21 ZINC000086048489 569716842 /nfs/dbraw/zinc/71/68/42/569716842.db2.gz YYLCFIWRDBOYMN-UHFFFAOYSA-N 1 0 455.002 5.520 50 0 JKAARO CC(C)(C)[C@H](c1cccc2ccccc21)n1cc[n+]([C@H](c2cccc3ccccc32)C(C)(C)C)c1 ZINC000086012700 569716872 /nfs/dbraw/zinc/71/68/72/569716872.db2.gz USBWUGXWICGYQK-QRRGNZNSSA-N 1 0 461.673 8.353 50 0 JKAARO COc1ccc2c(c1)N1CC[N@@H+](Cc3ccc(Cl)cc3)C[C@@H]1[C@@H](C(=O)N[C@@H](C)c1ccccc1)C2 ZINC000035871739 569718920 /nfs/dbraw/zinc/71/89/20/569718920.db2.gz QAIYRSQDAWAHMC-IYKJZBSOSA-N 1 0 490.047 5.089 50 0 JKAARO CCn1cc([C@H](CC(=O)NCC[NH+]2CCCC2)c2cccc(Oc3ccccc3)c2)c2ccccc21 ZINC000035872198 569719187 /nfs/dbraw/zinc/71/91/87/569719187.db2.gz XPKLZMJZVGCHQD-MUUNZHRXSA-N 1 0 481.640 6.188 50 0 JKAARO CCn1cc([C@@H](CC(=O)NCC[NH+](C)C)c2cccc(Oc3ccccc3)c2)c2ccccc21 ZINC000035872213 569719228 /nfs/dbraw/zinc/71/92/28/569719228.db2.gz INFYYDBXROIOSW-SANMLTNESA-N 1 0 455.602 5.653 50 0 JKAARO CCn1cc([C@@H](CC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c2cccc(F)c2)c2ccccc21 ZINC000035872411 569719344 /nfs/dbraw/zinc/71/93/44/569719344.db2.gz RGQWANKDORVIDI-NDEPHWFRSA-N 1 0 483.631 6.103 50 0 JKAARO CC[NH+](CC)[C@H](CNC(=O)c1cc(-c2ccc3c(c2)OCCO3)on1)c1ccc(C(C)(C)C)cc1 ZINC000094992815 569721390 /nfs/dbraw/zinc/72/13/90/569721390.db2.gz YKNJBBHAFUOKTL-HSZRJFAPSA-N 1 0 477.605 5.223 50 0 JKAARO CCc1cccc2c([C@@H](CC(=O)NC3CC[NH+](Cc4ccccc4)CC3)c3cccc(OC)c3)c[nH]c21 ZINC000035889317 569721616 /nfs/dbraw/zinc/72/16/16/569721616.db2.gz IKSPZIGPZLLOLT-LJAQVGFWSA-N 1 0 495.667 6.042 50 0 JKAARO c1ccc(CCc2nc3sc4c(c3c(N3CC[NH+](Cc5ccccc5)CC3)n2)CCCCC4)cc1 ZINC000035892963 569722711 /nfs/dbraw/zinc/72/27/11/569722711.db2.gz BQRQPRALGCDQLF-UHFFFAOYSA-N 1 0 482.697 6.068 50 0 JKAARO O=C(NCCc1cccs1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](C3CCCCC3)C[C@H]12 ZINC000035907995 569723618 /nfs/dbraw/zinc/72/36/18/569723618.db2.gz NKILUCCJUQDYIG-LADGPHEKSA-N 1 0 491.623 5.121 50 0 JKAARO O=C(C[C@H](c1c[nH]c2ccccc21)c1ccc(OCc2ccccc2)cc1)NCC[NH+]1CCCC1 ZINC000035910592 569725936 /nfs/dbraw/zinc/72/59/36/569725936.db2.gz NTCQHTUEWNHMEH-MHZLTWQESA-N 1 0 467.613 5.481 50 0 JKAARO Cc1nn(-c2ccccc2)c2nc(Cc3ccccc3)nc(N3CC[NH+](Cc4ccccc4)CC3)c12 ZINC000035924508 569727943 /nfs/dbraw/zinc/72/79/43/569727943.db2.gz PNGADULMDLLBGC-UHFFFAOYSA-N 1 0 474.612 5.037 50 0 JKAARO Cc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)[C@@H]([NH2+]CCCc2ccccc2)c2ccccc2)cc1 ZINC000095627008 569728334 /nfs/dbraw/zinc/72/83/34/569728334.db2.gz NLBYDBVUJVOSPI-KYJUHHDHSA-N 1 0 484.665 5.978 50 0 JKAARO CCOc1cccc2c1cc(C(=O)N[C@H](C)CCC[NH+](CC)CC)n2CCCc1ccccc1 ZINC000035925292 569728786 /nfs/dbraw/zinc/72/87/86/569728786.db2.gz QKLMTUYZANZTNI-HSZRJFAPSA-N 1 0 463.666 5.913 50 0 JKAARO CCC[N@@H+]1CCc2c(c(CN(C(=O)[C@@H](CC)c3ccccc3)C(C)C)nn2-c2ccc(C)cc2)C1 ZINC000035926210 569729505 /nfs/dbraw/zinc/72/95/05/569729505.db2.gz SKDMGSISAGKWGJ-SANMLTNESA-N 1 0 472.677 5.880 50 0 JKAARO CCC[C@H](C)c1nc2c(cnn2-c2ccccc2)c(N2CCC[N@H+](Cc3cccc(C)c3)CC2)n1 ZINC000035926135 569729549 /nfs/dbraw/zinc/72/95/49/569729549.db2.gz WDGUONBBRQTNPY-QHCPKHFHSA-N 1 0 468.649 5.740 50 0 JKAARO CCC[N@@H+]1CCc2c(c(CN(C(=O)c3cccc(Cl)c3)C(C)C)nn2-c2ccc(C)cc2)C1 ZINC000035926215 569729555 /nfs/dbraw/zinc/72/95/55/569729555.db2.gz HTPAIYDHPGEBHG-UHFFFAOYSA-N 1 0 465.041 5.653 50 0 JKAARO Fc1ccc(C(CCC[N@H+]2CC=C(Oc3cccc(Cl)c3)CC2)c2ccc(F)cc2)cc1 ZINC000095918151 569729587 /nfs/dbraw/zinc/72/95/87/569729587.db2.gz UQKJCLZKRJHRBD-UHFFFAOYSA-N 1 0 453.960 7.199 50 0 JKAARO CCCC[N@@H+]1CCCN(c2nc(Cc3ccc(C)cc3)nc3c2cnn3-c2ccccc2)CC1 ZINC000035927821 569730669 /nfs/dbraw/zinc/73/06/69/569730669.db2.gz RBXXUHFZZFNDRE-UHFFFAOYSA-N 1 0 454.622 5.027 50 0 JKAARO COc1ccc(CC[NH2+]Cc2cnc(C)c3oc(-c4cc(=O)oc5c(C)c(C)ccc45)cc32)cc1 ZINC000096115340 569734545 /nfs/dbraw/zinc/73/45/45/569734545.db2.gz WSENDPIOABQHDU-UHFFFAOYSA-N 1 0 468.553 5.867 50 0 biogenic JKAARO COc1ccc(CC[NH2+]Cc2cnc(C)c3oc(-c4cc(=O)oc5cc(C)c(C)cc54)cc32)cc1OC ZINC000096115674 569734641 /nfs/dbraw/zinc/73/46/41/569734641.db2.gz CTXBYCREYRCHDB-UHFFFAOYSA-N 1 0 498.579 5.876 50 0 biogenic JKAARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cccc(NC(=O)c2c(Cl)cccc2Cl)c1 ZINC000096116437 569735354 /nfs/dbraw/zinc/73/53/54/569735354.db2.gz RXIDSIMTTXMWJU-LAUBAEHRSA-N 1 0 460.405 5.240 50 0 biogenic JKAARO COc1cc2ccccc2cc1C(=O)Nc1cccc(C(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000096116501 569735415 /nfs/dbraw/zinc/73/54/15/569735415.db2.gz VLAWCJBDYSZVPE-JYFHCDHNSA-N 1 0 471.601 5.095 50 0 biogenic JKAARO O=C(COc1ccc2c(c1)[C@H](c1ccccc1)[N@@H+](Cc1ccccc1)CC2)NCc1ccco1 ZINC000096280548 569740035 /nfs/dbraw/zinc/74/00/35/569740035.db2.gz UEYGUVPBPJQZSD-LJAQVGFWSA-N 1 0 452.554 5.123 50 0 JKAARO CCOc1cc(/C=C\C(=O)Nc2cc(C[NH+]3CCSCC3)ccc2C)cc(Cl)c1OC ZINC000096315704 569740191 /nfs/dbraw/zinc/74/01/91/569740191.db2.gz OPWKLCBCBNSTNK-FPLPWBNLSA-N 1 0 461.027 5.256 50 0 JKAARO c1ccc(CCc2nc3ccccc3c(N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)n2)cc1 ZINC000096562255 569741084 /nfs/dbraw/zinc/74/10/84/569741084.db2.gz CBERYMKQARFMTF-UHFFFAOYSA-N 1 0 484.647 6.327 50 0 JKAARO c1ccc(C[N@@H+]2[C@@H](c3ccccc3)SC(c3ccccc3)(c3ccccc3)[C@H]2c2ccccc2)cc1 ZINC000096594050 569742248 /nfs/dbraw/zinc/74/22/48/569742248.db2.gz LZBMMFQTIDLMFA-CZNDPXEESA-N 1 0 483.680 8.619 50 0 JKAARO CCOC(=O)Nc1ccc2c(c1)N(C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccccc1CC2 ZINC000096601903 569742410 /nfs/dbraw/zinc/74/24/10/569742410.db2.gz PGENVDQQAWFYKB-UHFFFAOYSA-N 1 0 464.610 5.511 50 0 JKAARO O=C(CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)Nc1ccc(SC(F)F)cc1 ZINC000096682211 569742870 /nfs/dbraw/zinc/74/28/70/569742870.db2.gz FKYLWMDMAKAYJI-UHFFFAOYSA-N 1 0 467.585 5.347 50 0 JKAARO C[N@H+]1CC2=C(N=C3SC=C(c4ccc(F)cc4)N3[C@H]2c2ccccc2)/C(=C/c2ccccc2)C1 ZINC000036007033 569747613 /nfs/dbraw/zinc/74/76/13/569747613.db2.gz RJAVOASLMSYNDF-KODJDXEOSA-N 1 0 465.597 6.567 50 0 JKAARO COc1cccc(C2=CSC3=NC4=C(C[N@H+](C)C/C4=C\c4ccccc4)[C@@H](c4ccccc4)N23)c1 ZINC000036007022 569747618 /nfs/dbraw/zinc/74/76/18/569747618.db2.gz RJGOHYJSNQTSDS-QXNCHVGQSA-N 1 0 477.633 6.436 50 0 JKAARO NC1=[NH+]C[C@@H](CS[C@]23CCCC[C@@H]2[C@H](c2ccccc2)C=C(c2ccccc2)S3)S1 ZINC000036007462 569747664 /nfs/dbraw/zinc/74/76/64/569747664.db2.gz JWDPJXKKWLZBTK-FUCAVZNHSA-N 1 0 452.714 6.608 50 0 JKAARO CCC[N@@H+](Cc1c(-c2ccccc2)noc1N(CC)CC)C[C@H](O)COc1ccccc1C ZINC000036246074 569757788 /nfs/dbraw/zinc/75/77/88/569757788.db2.gz ABXFPLRSAYUOOH-QHCPKHFHSA-N 1 0 451.611 5.148 50 0 JKAARO CCN(CC)c1onc(-c2ccccc2)c1CN(CC[NH+](C)C)C(=S)Nc1ccc(F)cc1 ZINC000036249671 569757983 /nfs/dbraw/zinc/75/79/83/569757983.db2.gz LNSHNDRFBQODAZ-UHFFFAOYSA-N 1 0 469.630 5.088 50 0 JKAARO Cc1cccc(C[N@@H+](Cc2c(-c3ccccc3)noc2N(C)C(C)C)C[C@H](O)COC(C)C)c1 ZINC000036249913 569758116 /nfs/dbraw/zinc/75/81/16/569758116.db2.gz QIWRTWKMXNEHGY-VWLOTQADSA-N 1 0 465.638 5.283 50 0 JKAARO CCC[C@@H](O)C[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1cccc(OC)c1)CC1CC1 ZINC000036302633 569759240 /nfs/dbraw/zinc/75/92/40/569759240.db2.gz RVAHLXMRIPIOQL-HSZRJFAPSA-N 1 0 463.622 5.609 50 0 JKAARO O[C@H](COCc1ccccc1)C[N@@H+](Cc1c(-c2ccccc2)noc1N1CCCCC1)CC1CC1 ZINC000036313039 569760585 /nfs/dbraw/zinc/76/05/85/569760585.db2.gz VVZSJFRVSLCXGE-SANMLTNESA-N 1 0 475.633 5.122 50 0 JKAARO CCCC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)CC1CC1 ZINC000036313767 569760896 /nfs/dbraw/zinc/76/08/96/569760896.db2.gz BBASYPJQGABNCU-QFIPXVFZSA-N 1 0 468.041 6.296 50 0 JKAARO CCCC[C@H](O)C[N@H+](CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC ZINC000036313743 569760899 /nfs/dbraw/zinc/76/08/99/569760899.db2.gz RWMZXCOTEAMONZ-QHCPKHFHSA-N 1 0 451.611 5.745 50 0 JKAARO CCCCOC[C@H](O)C[N@H+](CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1 ZINC000036313754 569760995 /nfs/dbraw/zinc/76/09/95/569760995.db2.gz XXNDZWHHZFNQOV-XMMPIXPASA-N 1 0 481.637 5.371 50 0 JKAARO CCCC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)CC1CC1 ZINC000036313768 569761045 /nfs/dbraw/zinc/76/10/45/569761045.db2.gz BBASYPJQGABNCU-JOCHJYFZSA-N 1 0 468.041 6.296 50 0 JKAARO CCCCOC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)CC(C)C ZINC000036313811 569761089 /nfs/dbraw/zinc/76/10/89/569761089.db2.gz GLOLDEWTLYMMSI-HSZRJFAPSA-N 1 0 483.628 5.654 50 0 JKAARO CCCC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)CC1CC1 ZINC000036313826 569761110 /nfs/dbraw/zinc/76/11/10/569761110.db2.gz MWNNOYITAPLERS-HSZRJFAPSA-N 1 0 451.586 5.782 50 0 JKAARO CCCC[C@H](O)C[N@H+](CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC ZINC000036313791 569761122 /nfs/dbraw/zinc/76/11/22/569761122.db2.gz IHLKAKMFSJLGDE-QFIPXVFZSA-N 1 0 451.611 5.651 50 0 JKAARO CCCCOC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C1CC1 ZINC000036313806 569761146 /nfs/dbraw/zinc/76/11/46/569761146.db2.gz NQIVJVMOJALAOB-DEOSSOPVSA-N 1 0 463.622 5.330 50 0 JKAARO CCCCOC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)[C@@H](C)CC ZINC000036313786 569761173 /nfs/dbraw/zinc/76/11/73/569761173.db2.gz WOKWODHSXXCWSG-UPVQGACJSA-N 1 0 495.664 5.666 50 0 JKAARO CCCC[C@@H](O)C[N@H+](CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F ZINC000036313814 569761208 /nfs/dbraw/zinc/76/12/08/569761208.db2.gz RRSCRXOWEKDWRV-OAQYLSRUSA-N 1 0 455.574 5.018 50 0 JKAARO CCCCOC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)C1CC1 ZINC000036313789 569761248 /nfs/dbraw/zinc/76/12/48/569761248.db2.gz RQFDVKMXYCGXIU-HSZRJFAPSA-N 1 0 479.621 5.030 50 0 JKAARO CCCC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccc(OC)cc1)CC1CC1 ZINC000036313854 569761289 /nfs/dbraw/zinc/76/12/89/569761289.db2.gz KUDMUSRMNWNHDN-XMMPIXPASA-N 1 0 498.067 6.398 50 0 JKAARO CCCC[C@H](O)C[N@H+](CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(Cl)cc1 ZINC000036313893 569761312 /nfs/dbraw/zinc/76/13/12/569761312.db2.gz HGDIPMHSTXOLGO-QHCPKHFHSA-N 1 0 456.030 6.390 50 0 JKAARO CCCC[C@H](O)C[N@H+](Cc1c(CC)nn(-c2ccc(OC)cc2)c1Oc1ccccc1OC)C1CC1 ZINC000036313885 569761328 /nfs/dbraw/zinc/76/13/28/569761328.db2.gz USVGTIDMDVLVDK-QHCPKHFHSA-N 1 0 493.648 5.760 50 0 JKAARO CCCCOC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccc(Cl)cc2)c1Oc1ccccc1)CC1CC1 ZINC000036313859 569761386 /nfs/dbraw/zinc/76/13/86/569761386.db2.gz DIIRTXKRUJTIMY-RUZDIDTESA-N 1 0 498.067 6.016 50 0 JKAARO CCCC[C@@H](O)C[N@H+](CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(Cl)cc1 ZINC000036313894 569761392 /nfs/dbraw/zinc/76/13/92/569761392.db2.gz HGDIPMHSTXOLGO-HSZRJFAPSA-N 1 0 456.030 6.390 50 0 JKAARO CCCCOC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)CC1CC1 ZINC000036313965 569761559 /nfs/dbraw/zinc/76/15/59/569761559.db2.gz KCUBESSYGYLPHH-RUZDIDTESA-N 1 0 477.649 5.577 50 0 JKAARO CCCCOC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)CC1CC1 ZINC000036313924 569761572 /nfs/dbraw/zinc/76/15/72/569761572.db2.gz MFNYOZNNVBRIDJ-VWLOTQADSA-N 1 0 493.648 5.371 50 0 JKAARO CCCCOC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)CC(C)C ZINC000036313942 569761636 /nfs/dbraw/zinc/76/16/36/569761636.db2.gz GCYFPYNIVQXXQN-DEOSSOPVSA-N 1 0 495.664 5.524 50 0 JKAARO CCCCOC[C@H](O)C[N@H+](CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1 ZINC000036313977 569761645 /nfs/dbraw/zinc/76/16/45/569761645.db2.gz PKGZUROPKIDHPM-HSZRJFAPSA-N 1 0 469.601 5.408 50 0 JKAARO CCCC[C@H](O)C[N@H+](CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1 ZINC000036313957 569761693 /nfs/dbraw/zinc/76/16/93/569761693.db2.gz ZLFGSBPHIXHLTH-QFIPXVFZSA-N 1 0 451.611 5.651 50 0 JKAARO CCCC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)CC1CC1 ZINC000036313988 569761714 /nfs/dbraw/zinc/76/17/14/569761714.db2.gz KCVDXCKDGCCBLP-HSZRJFAPSA-N 1 0 451.586 5.782 50 0 JKAARO CCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1F)C[C@H](O)COC(C)C ZINC000036316142 569762018 /nfs/dbraw/zinc/76/20/18/569762018.db2.gz OPEUVIURUDOUIA-NRFANRHFSA-N 1 0 473.564 5.156 50 0 JKAARO CCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)C[C@H](O)COC(C)C ZINC000036316050 569762129 /nfs/dbraw/zinc/76/21/29/569762129.db2.gz RIOONBJEGWZJFK-QHCPKHFHSA-N 1 0 451.611 5.186 50 0 JKAARO CC[C@@H](C)[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@H](O)COC(C)C ZINC000036316214 569762363 /nfs/dbraw/zinc/76/23/63/569762363.db2.gz KQYJAQZLNOMSBI-GGAORHGYSA-N 1 0 451.611 5.266 50 0 JKAARO CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@H+](C[C@@H](O)COC(C)C)C(C)C ZINC000036316261 569762516 /nfs/dbraw/zinc/76/25/16/569762516.db2.gz JISAFMFSJYIMHA-HSZRJFAPSA-N 1 0 451.611 5.223 50 0 JKAARO CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@H+](C[C@H](O)COC(C)C)C(C)C ZINC000036316260 569762525 /nfs/dbraw/zinc/76/25/25/569762525.db2.gz JISAFMFSJYIMHA-QHCPKHFHSA-N 1 0 451.611 5.223 50 0 JKAARO CCC[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1)C[C@H](O)COC(C)C ZINC000036316294 569762531 /nfs/dbraw/zinc/76/25/31/569762531.db2.gz ZCQWZTRWKWYYLA-QHCPKHFHSA-N 1 0 451.611 5.225 50 0 JKAARO CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@H+](C[C@@H](O)COCC(C)C)CC1CC1 ZINC000036316327 569762674 /nfs/dbraw/zinc/76/26/74/569762674.db2.gz WPZWUBIGYVGIOR-RUZDIDTESA-N 1 0 477.649 5.473 50 0 JKAARO CCCCOC[C@H](O)C[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1)C(C)C ZINC000036316280 569762686 /nfs/dbraw/zinc/76/26/86/569762686.db2.gz IPGZGWXTRSFWCX-XMMPIXPASA-N 1 0 465.638 5.615 50 0 JKAARO CCc1nn(-c2ccccc2)c(Oc2ccc(OC)cc2)c1C[N@H+](C[C@@H](O)COCC(C)C)C(C)C ZINC000036316381 569762720 /nfs/dbraw/zinc/76/27/20/569762720.db2.gz DTYVJACHHDRHDK-XMMPIXPASA-N 1 0 495.664 5.480 50 0 JKAARO CCOC[C@@H](O)C[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1F)CC(C)C ZINC000036316462 569763057 /nfs/dbraw/zinc/76/30/57/569763057.db2.gz IQDXOQYCDKHBQD-QFIPXVFZSA-N 1 0 469.601 5.222 50 0 JKAARO CCC[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C[C@H](O)COC(C)(C)C ZINC000036316512 569763193 /nfs/dbraw/zinc/76/31/93/569763193.db2.gz WCFDRKZNVDXFOB-QHCPKHFHSA-N 1 0 483.628 5.754 50 0 JKAARO Cc1ccccc1Cc1c(C)nc(-c2ccccc2)nc1N1CC[NH+](C[C@H](O)Cc2ccccc2)CC1 ZINC000036340144 569763638 /nfs/dbraw/zinc/76/36/38/569763638.db2.gz ACHPRESSJRCCLM-GDLZYMKVSA-N 1 0 492.667 5.077 50 0 JKAARO CCCC[C@@H](O)C[NH+]1CCN(c2nc(-c3ccccc3)nc(C)c2Cc2ccc(Cl)cc2)CC1 ZINC000036340285 569763780 /nfs/dbraw/zinc/76/37/80/569763780.db2.gz TWOMPAFTSQXIOF-RUZDIDTESA-N 1 0 479.068 5.369 50 0 JKAARO COc1ccccc1[C@H]1CC(c2ccc(C)c(C)c2)=NN1C(=O)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000036341384 569764503 /nfs/dbraw/zinc/76/45/03/569764503.db2.gz ZQSBFGXKJOMGHV-SSEXGKCCSA-N 1 0 495.667 5.944 50 0 JKAARO COc1ccc(C2=NN(C(=O)C[NH+]3CCC(Cc4ccccc4)CC3)[C@H](c3ccc(F)cc3)C2)cc1 ZINC000036341313 569764507 /nfs/dbraw/zinc/76/45/07/569764507.db2.gz OMYQNRSYLHGXHB-LJAQVGFWSA-N 1 0 485.603 5.467 50 0 JKAARO O=C(C[NH+]1CCC(Cc2ccccc2)CC1)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccc(F)cc1 ZINC000036341288 569764528 /nfs/dbraw/zinc/76/45/28/569764528.db2.gz FKEDNLUHXBBLPY-MUUNZHRXSA-N 1 0 473.567 5.597 50 0 JKAARO O=C(C[NH+]1CCC(Cc2ccccc2)CC1)N1N=C(c2ccccc2F)C[C@@H]1c1ccc2c(c1)OCO2 ZINC000036341839 569764827 /nfs/dbraw/zinc/76/48/27/569764827.db2.gz XBRJAEIOBDZDPF-HHHXNRCGSA-N 1 0 499.586 5.187 50 0 JKAARO Cc1ccc(C2=NN(C(=O)C[NH+]3CCC(Cc4ccccc4)CC3)[C@@H](c3cccn3C)C2)cc1C ZINC000036341917 569764846 /nfs/dbraw/zinc/76/48/46/569764846.db2.gz KBQALUFHIZKNTL-GDLZYMKVSA-N 1 0 468.645 5.274 50 0 JKAARO COc1cccc(Oc2c(C[N@H+](CC(C)C)C[C@@H](O)COCC(C)C)c(C)nn2-c2ccccc2)c1 ZINC000036341965 569764978 /nfs/dbraw/zinc/76/49/78/569764978.db2.gz CIRNCRLJAJVLEO-RUZDIDTESA-N 1 0 495.664 5.473 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[N@H+](CC(C)C)C[C@H](O)COC(C)C ZINC000036342022 569765069 /nfs/dbraw/zinc/76/50/69/569765069.db2.gz GMQXMKFODAEIIW-DEOSSOPVSA-N 1 0 469.601 5.356 50 0 JKAARO CCCCOC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)CC(C)C ZINC000036341958 569765099 /nfs/dbraw/zinc/76/50/99/569765099.db2.gz IHKRJLAVVOSWHV-RUZDIDTESA-N 1 0 495.664 5.617 50 0 JKAARO COc1ccc(OC)c([C@@H]2CC(c3ccccc3)=NN2C(=O)C[NH+]2CCC(Cc3ccccc3)CC2)c1 ZINC000036344341 569766922 /nfs/dbraw/zinc/76/69/22/569766922.db2.gz XOGLXGBTOYRBBC-LJAQVGFWSA-N 1 0 497.639 5.336 50 0 JKAARO COc1ccccc1C1=NN(C(=O)C[NH+]2CCC(Cc3ccccc3)CC2)[C@@H](c2cc(C)ccc2C)C1 ZINC000036344689 569767312 /nfs/dbraw/zinc/76/73/12/569767312.db2.gz YAJVTBMQTGATAJ-SSEXGKCCSA-N 1 0 495.667 5.944 50 0 JKAARO COc1ccc(C2=NN(C(=O)C[NH+]3CCC(Cc4ccccc4)CC3)[C@H](c3ccccc3C)C2)cc1 ZINC000036344917 569767426 /nfs/dbraw/zinc/76/74/26/569767426.db2.gz RFZJSKWJXKOXRM-PMERELPUSA-N 1 0 481.640 5.636 50 0 JKAARO O=C(C[NH+]1CCC(Cc2ccccc2)CC1)N1N=C(c2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC000036345029 569767632 /nfs/dbraw/zinc/76/76/32/569767632.db2.gz BNKKTXYGTLIOSJ-NDEPHWFRSA-N 1 0 472.032 5.972 50 0 JKAARO Cc1cccc(C2=NN(C(=O)C[NH+]3CCC(Cc4ccccc4)CC3)[C@@H](c3ccc(F)cc3)C2)c1 ZINC000036345246 569767816 /nfs/dbraw/zinc/76/78/16/569767816.db2.gz QLYZKAIXINMVOQ-GDLZYMKVSA-N 1 0 469.604 5.767 50 0 JKAARO COc1ccc([C@@H]2CC(c3cccc(F)c3)=NN2C(=O)C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000036345181 569767837 /nfs/dbraw/zinc/76/78/37/569767837.db2.gz LZFPDUGSTISATN-LJAQVGFWSA-N 1 0 485.603 5.467 50 0 JKAARO COc1ccccc1[C@@H]1CC(c2ccc(C)cc2)=NN1C(=O)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000036345293 569767839 /nfs/dbraw/zinc/76/78/39/569767839.db2.gz AKEHCNXAEUVSDV-LJAQVGFWSA-N 1 0 481.640 5.636 50 0 JKAARO O=C(C[NH+]1CCC(Cc2ccccc2)CC1)N1N=C(c2ccccc2)C[C@@H]1c1ccc(F)cc1 ZINC000036345208 569767860 /nfs/dbraw/zinc/76/78/60/569767860.db2.gz FMSUETRHAMTEDO-MUUNZHRXSA-N 1 0 455.577 5.458 50 0 JKAARO COc1ccc([C@H]2CC(c3cccc(F)c3)=NN2C(=O)C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000036345182 569767889 /nfs/dbraw/zinc/76/78/89/569767889.db2.gz LZFPDUGSTISATN-GDLZYMKVSA-N 1 0 485.603 5.467 50 0 JKAARO COc1cccc([C@@H]2CC(c3cccc(C)c3)=NN2C(=O)C[NH+]2CCC(Cc3ccccc3)CC2)c1 ZINC000036345645 569767947 /nfs/dbraw/zinc/76/79/47/569767947.db2.gz FNPSIHGFXZHTCJ-PMERELPUSA-N 1 0 481.640 5.636 50 0 JKAARO CCc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[N@H+](C[C@@H](O)COC(C)(C)C)C(C)C ZINC000036345812 569768194 /nfs/dbraw/zinc/76/81/94/569768194.db2.gz ARUSUZQLTNXFKK-HSZRJFAPSA-N 1 0 483.628 5.753 50 0 JKAARO COc1cccc([C@H]2CC(c3ccc(C)cc3C)=NN2C(=O)C[NH+]2CCC(Cc3ccccc3)CC2)c1 ZINC000036345672 569768242 /nfs/dbraw/zinc/76/82/42/569768242.db2.gz VIUBUZABOPXMIQ-WJOKGBTCSA-N 1 0 495.667 5.944 50 0 JKAARO CC[C@@H](C)[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C[C@H](O)COC(C)(C)C ZINC000036345823 569768325 /nfs/dbraw/zinc/76/83/25/569768325.db2.gz KVAVRNVXBLSTPT-RDGATRHJSA-N 1 0 479.665 6.058 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@@H+](C[C@H](O)Cc1ccccc1)C(C)C ZINC000036345859 569768334 /nfs/dbraw/zinc/76/83/34/569768334.db2.gz QJQOCSXJJFYJCF-HHHXNRCGSA-N 1 0 469.629 6.095 50 0 JKAARO CC[C@H](C)[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C[C@H](O)COC(C)C ZINC000036345822 569768340 /nfs/dbraw/zinc/76/83/40/569768340.db2.gz WKONNEUVQSFMJK-DHLKQENFSA-N 1 0 465.638 5.668 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@@H+](CC(C)C)C[C@@H](O)COCC(C)C ZINC000036345836 569768370 /nfs/dbraw/zinc/76/83/70/569768370.db2.gz YVGZSAAFIAECJM-AREMUKBSSA-N 1 0 479.665 5.773 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@@H+](CC(C)C)C[C@H](O)COCC(C)C ZINC000036345835 569768396 /nfs/dbraw/zinc/76/83/96/569768396.db2.gz YVGZSAAFIAECJM-SANMLTNESA-N 1 0 479.665 5.773 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@H+](CC(C)C)C[C@H](O)COC(C)(C)C ZINC000036345841 569768399 /nfs/dbraw/zinc/76/83/99/569768399.db2.gz XLEHWMAEYDICLC-VWLOTQADSA-N 1 0 479.665 5.915 50 0 JKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@@H](O)COC(C)(C)C ZINC000036345928 569768550 /nfs/dbraw/zinc/76/85/50/569768550.db2.gz JPOQCYHVNYOBNV-XMMPIXPASA-N 1 0 465.638 5.669 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@H+](CC(C)C)C[C@H](O)Cc1ccccc1 ZINC000036345963 569768671 /nfs/dbraw/zinc/76/86/71/569768671.db2.gz MSZKJAUIGRUQGM-AREMUKBSSA-N 1 0 487.619 6.174 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@@H+](CC(C)C)C[C@@H](O)COCC(C)C ZINC000036345966 569768704 /nfs/dbraw/zinc/76/87/04/569768704.db2.gz DNTZGCMDGLWPII-XMMPIXPASA-N 1 0 483.628 5.604 50 0 JKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@H](O)COC(C)C ZINC000036346051 569768752 /nfs/dbraw/zinc/76/87/52/569768752.db2.gz DRQZEXFBDUFOHD-QFIPXVFZSA-N 1 0 455.574 5.110 50 0 JKAARO CCCCOC[C@@H](O)C[N@H+](CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F ZINC000036346046 569768780 /nfs/dbraw/zinc/76/87/80/569768780.db2.gz NLCPGBLUOJOKPX-QHCPKHFHSA-N 1 0 469.601 5.502 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@H+](C[C@@H](O)COCC(C)C)CC1CC1 ZINC000036346090 569768878 /nfs/dbraw/zinc/76/88/78/569768878.db2.gz SSRSCRGAAYVQAA-XMMPIXPASA-N 1 0 481.612 5.358 50 0 JKAARO CCCC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)CC(C)C ZINC000036346211 569769184 /nfs/dbraw/zinc/76/91/84/569769184.db2.gz DINYZNJWZXOZFM-DEOSSOPVSA-N 1 0 453.602 6.121 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@H+](CC(C)C)C[C@@H](O)Cc1ccccc1 ZINC000036346220 569769320 /nfs/dbraw/zinc/76/93/20/569769320.db2.gz XLQWLJIEIXNCLP-MHZLTWQESA-N 1 0 487.619 6.174 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@@H+](C[C@@H](O)Cc1ccccc1)C(C)C ZINC000036346294 569769436 /nfs/dbraw/zinc/76/94/36/569769436.db2.gz UQDYIPPOAFIYLA-SANMLTNESA-N 1 0 473.592 5.926 50 0 JKAARO CCOC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)[C@@H](C)CC ZINC000036346326 569769547 /nfs/dbraw/zinc/76/95/47/569769547.db2.gz WHASPQWBTNRBQN-CVDCTZTESA-N 1 0 455.574 5.110 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@H+](C[C@H](O)Cc1ccccc1)CC1CC1 ZINC000036346423 569769808 /nfs/dbraw/zinc/76/98/08/569769808.db2.gz UJIXXXCGERBUAW-HHHXNRCGSA-N 1 0 485.603 5.928 50 0 JKAARO COC[C@H](O)C[N@@H+](Cc1c(C(C)C)nn(-c2ccc(OC)cc2)c1Oc1ccccc1)CC1CC1 ZINC000036346504 569769855 /nfs/dbraw/zinc/76/98/55/569769855.db2.gz UUEWOVWFWXVSOK-HSZRJFAPSA-N 1 0 479.621 5.016 50 0 JKAARO COC[C@@H](O)C[N@H+](Cc1c(C(C)C)nn(-c2ccc(OC)cc2)c1Oc1ccccc1)C(C)C ZINC000036346477 569769891 /nfs/dbraw/zinc/76/98/91/569769891.db2.gz MMBQQZLJSBIPIE-QFIPXVFZSA-N 1 0 467.610 5.014 50 0 JKAARO CCc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@H+](C[C@@H](O)COCC(C)C)C(C)C ZINC000036346510 569769903 /nfs/dbraw/zinc/76/99/03/569769903.db2.gz VNUNBOSZXKYTFG-RUZDIDTESA-N 1 0 479.665 5.779 50 0 JKAARO CCOC[C@@H](O)C[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C(C)C ZINC000036346523 569769924 /nfs/dbraw/zinc/76/99/24/569769924.db2.gz ZCQMRZGJTJRQSN-QHCPKHFHSA-N 1 0 451.611 5.143 50 0 JKAARO CCC[N@@H+](Cc1c(C(C)C)nn(-c2ccc(OC)cc2)c1Oc1ccccc1)C[C@@H](O)COC ZINC000036346498 569769990 /nfs/dbraw/zinc/76/99/90/569769990.db2.gz JWXZFACYNATHHL-JOCHJYFZSA-N 1 0 467.610 5.016 50 0 JKAARO CCCC[C@@H](O)C[N@H+](CCC)Cc1c(C(C)C)nn(-c2ccc(OC)cc2)c1Oc1ccccc1 ZINC000036346502 569770000 /nfs/dbraw/zinc/77/00/00/569770000.db2.gz QKNJISXGQMSZFN-XMMPIXPASA-N 1 0 479.665 6.560 50 0 JKAARO Cc1nn(-c2ccc(F)cc2)c(Oc2ccccc2F)c1C[N@@H+](C[C@H](O)COC(C)C)C(C)C ZINC000036346579 569770047 /nfs/dbraw/zinc/77/00/47/569770047.db2.gz QYISATQGIOHHCC-QFIPXVFZSA-N 1 0 473.564 5.248 50 0 JKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccccc1F)C[C@@H](O)Cc1ccccc1 ZINC000036346598 569770141 /nfs/dbraw/zinc/77/01/41/569770141.db2.gz NYALNCDPWDHVKX-VWLOTQADSA-N 1 0 491.582 6.067 50 0 JKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1cccc(F)c1)C[C@H](O)COC(C)(C)C ZINC000036346663 569770378 /nfs/dbraw/zinc/77/03/78/569770378.db2.gz HDZUGXYIFBVVSV-QHCPKHFHSA-N 1 0 487.591 5.639 50 0 JKAARO CCCCOC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)CC(C)C ZINC000036346796 569770758 /nfs/dbraw/zinc/77/07/58/569770758.db2.gz CHBYBMLZALWBDH-VWLOTQADSA-N 1 0 479.665 5.823 50 0 JKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1)C[C@H](O)Cc1ccccc1 ZINC000036346749 569770764 /nfs/dbraw/zinc/77/07/64/569770764.db2.gz BUZXDEYPNGORLL-AREMUKBSSA-N 1 0 491.582 6.067 50 0 JKAARO Cc1ccc(Oc2c(C[N@H+](CC(C)C)C[C@@H](O)COC(C)C)c(-c3ccccc3)nn2C)cc1 ZINC000036346772 569770851 /nfs/dbraw/zinc/77/08/51/569770851.db2.gz DDUDKQRIHNLZLJ-XMMPIXPASA-N 1 0 465.638 5.432 50 0 JKAARO CCCCOC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)CC(C)C ZINC000036346795 569770854 /nfs/dbraw/zinc/77/08/54/569770854.db2.gz CHBYBMLZALWBDH-RUZDIDTESA-N 1 0 479.665 5.823 50 0 JKAARO CCCC[C@@H](O)C[N@H+](CCC)Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1 ZINC000036346768 569770860 /nfs/dbraw/zinc/77/08/60/569770860.db2.gz HEBPBEQUUQKFTH-HSZRJFAPSA-N 1 0 457.565 6.014 50 0 JKAARO Cc1ccc(Oc2c(C[N@H+](CC(C)C)C[C@H](O)Cc3ccccc3)c(-c3ccccc3)nn2C)cc1 ZINC000036346773 569770866 /nfs/dbraw/zinc/77/08/66/569770866.db2.gz UWQOYRBKSBGHTC-HHHXNRCGSA-N 1 0 483.656 6.249 50 0 JKAARO FC(F)(F)c1ccc([C@H]2c3cccn3CCC[N@H+]2Cc2cccc(Oc3ccccc3)c2)cc1 ZINC000036347352 569771009 /nfs/dbraw/zinc/77/10/09/569771009.db2.gz QYNZFNDAEFLUEU-MHZLTWQESA-N 1 0 462.515 7.295 50 0 JKAARO CC[C@H](C)[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)C[C@H](O)COCC(C)C ZINC000036346814 569771064 /nfs/dbraw/zinc/77/10/64/569771064.db2.gz WTKFVCJZKFJSMO-ZCYQVOJMSA-N 1 0 479.665 5.822 50 0 JKAARO CC[C@H](C)[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)C[C@H](O)COC(C)(C)C ZINC000036346818 569771082 /nfs/dbraw/zinc/77/10/82/569771082.db2.gz DIUQGRGQPGNNAG-UPVQGACJSA-N 1 0 479.665 5.964 50 0 JKAARO C[C@H](NC(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000036392925 569774632 /nfs/dbraw/zinc/77/46/32/569774632.db2.gz RFPNQTNHECCPOL-NRFANRHFSA-N 1 0 471.605 5.355 50 0 JKAARO CC1CC[NH+](Cc2ccc(NC(=O)c3cn(-c4ccccc4)nc3-c3cccnc3)cc2)CC1 ZINC000036398354 569775296 /nfs/dbraw/zinc/77/52/96/569775296.db2.gz LDOSFNOBFGOIDF-UHFFFAOYSA-N 1 0 451.574 5.419 50 0 JKAARO COc1ccc(OCc2cccc(C(=O)N3CC[NH+](C45CC6CC(CC(C6)C4)C5)CC3)c2)cc1 ZINC000036611054 569777451 /nfs/dbraw/zinc/77/74/51/569777451.db2.gz GSXOVKPUBPZKJB-UHFFFAOYSA-N 1 0 460.618 5.001 50 0 JKAARO COc1cccc([C@H]2C[N@H+](Cc3ccccc3F)C[C@@H]2CN(CC(C)C)C(=O)c2ccc(F)cc2)c1 ZINC000037276292 569782149 /nfs/dbraw/zinc/78/21/49/569782149.db2.gz OYTMRPUISWKNIR-LEAFIULHSA-N 1 0 492.610 5.987 50 0 JKAARO COc1cccc([C@H]2C[N@H+](Cc3cccc(F)c3)C[C@H]2CN(CC(C)C)C(=O)c2ccc(F)cc2)c1 ZINC000037276308 569782191 /nfs/dbraw/zinc/78/21/91/569782191.db2.gz GNOYEOYBGUZXFS-ABYGYWHVSA-N 1 0 492.610 5.987 50 0 JKAARO COc1ccc(C[NH+]2CCC(N(C(=O)c3ccc(OC)cc3)c3ccc(OC)cc3)CC2)cc1 ZINC000037279996 569782494 /nfs/dbraw/zinc/78/24/94/569782494.db2.gz MDOSUMVRDBQNBH-UHFFFAOYSA-N 1 0 460.574 5.024 50 0 JKAARO Cc1cccc(-c2nc(NCC[NH+]3CCCCC3)nc3nn(-c4ccc(C(F)(F)F)cc4)c(N)c32)c1 ZINC000037359894 569783947 /nfs/dbraw/zinc/78/39/47/569783947.db2.gz RZDNBMIZLJTJHA-UHFFFAOYSA-N 1 0 495.553 5.290 50 0 JKAARO COc1cccc([C@H]2C[N@H+](Cc3ccc(F)c(F)c3)C[C@H]2CN(CC(C)C)C(=O)C(C)C)c1 ZINC000037523989 569792922 /nfs/dbraw/zinc/79/29/22/569792922.db2.gz LWLHMMLMCJRQTI-LADGPHEKSA-N 1 0 458.593 5.330 50 0 JKAARO COCCN(C[C@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2)C[C@H]1c1ccccc1C)C(=O)C(C)C ZINC000037523675 569792943 /nfs/dbraw/zinc/79/29/43/569792943.db2.gz XPEYLXKWZFOJEJ-RCZVLFRGSA-N 1 0 476.583 5.360 50 0 JKAARO COc1cc(C[NH+]2CCC(N(C(=O)c3ccc(C)cc3)c3ccc(F)cc3)CC2)cc(OC)c1 ZINC000037559940 569795529 /nfs/dbraw/zinc/79/55/29/569795529.db2.gz MHAUCZSKXQTKTI-UHFFFAOYSA-N 1 0 462.565 5.463 50 0 JKAARO Cc1ccc(C[NH+]2CCC(N(c3ccc(F)cc3)S(=O)(=O)c3ccc(F)cc3)CC2)cc1 ZINC000037570553 569795660 /nfs/dbraw/zinc/79/56/60/569795660.db2.gz UKYKHCSVHDPRHH-UHFFFAOYSA-N 1 0 456.558 5.133 50 0 JKAARO COc1ccc(C(=O)N(c2cccc(OC)c2)C2CC[NH+](Cc3cccc(OC)c3)CC2)cc1 ZINC000037570660 569795668 /nfs/dbraw/zinc/79/56/68/569795668.db2.gz LYXQRGLPXITFPP-UHFFFAOYSA-N 1 0 460.574 5.024 50 0 JKAARO COc1ccc(C[NH+]2CCC(N(c3ccc(F)cc3)S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000037560594 569795710 /nfs/dbraw/zinc/79/57/10/569795710.db2.gz LOHHVAIMXWOENJ-UHFFFAOYSA-N 1 0 489.012 5.348 50 0 JKAARO COc1ccc(C[NH+]2CCC(N(C(=O)c3cccc(Cl)c3)c3cccc(OC)c3)CC2)cc1 ZINC000037570528 569795734 /nfs/dbraw/zinc/79/57/34/569795734.db2.gz FFAOIUZFYPJRHL-UHFFFAOYSA-N 1 0 464.993 5.669 50 0 JKAARO Cc1ccc(C[NH+]2CCC(N(c3ccc(F)cc3)S(=O)(=O)c3cccc(C)c3)CC2)cc1 ZINC000037570700 569795940 /nfs/dbraw/zinc/79/59/40/569795940.db2.gz IBIYCLVAPODJGX-UHFFFAOYSA-N 1 0 452.595 5.302 50 0 JKAARO COc1cccc(C[NH+]2CCC(N(c3ccc(C)cc3)S(=O)(=O)c3cccc(C)c3)CC2)c1 ZINC000037572180 569795950 /nfs/dbraw/zinc/79/59/50/569795950.db2.gz RAHAWFAHOGWLMJ-UHFFFAOYSA-N 1 0 464.631 5.172 50 0 JKAARO COc1cccc(C[NH+]2CCC(N(c3ccc(F)cc3)S(=O)(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000037570691 569795952 /nfs/dbraw/zinc/79/59/52/569795952.db2.gz GAPDCEZBDAXBEO-UHFFFAOYSA-N 1 0 489.012 5.348 50 0 JKAARO CCOc1ccc(C(=O)Nc2ccc3[nH+]c4c(c(Nc5ccccc5OC)c3c2)CCCC4)cc1 ZINC000101431987 569797523 /nfs/dbraw/zinc/79/75/23/569797523.db2.gz SDXKOTQBFNENTH-UHFFFAOYSA-N 1 0 467.569 6.517 50 0 JKAARO COc1ccccc1Nc1c2cc(NC(=O)Cc3ccc(Cl)cc3)ccc2[nH+]c2c1CCCC2 ZINC000101431713 569797579 /nfs/dbraw/zinc/79/75/79/569797579.db2.gz APYRPZGMMDMOIW-UHFFFAOYSA-N 1 0 471.988 6.700 50 0 JKAARO COc1ccccc1Nc1c2cc(NC(=O)c3cccc(Cl)c3)ccc2[nH+]c2c1CCCC2 ZINC000101495411 569800430 /nfs/dbraw/zinc/80/04/30/569800430.db2.gz BLLWGCGYUYHPTL-UHFFFAOYSA-N 1 0 457.961 6.772 50 0 JKAARO COc1ccccc1OCC[N@@H+](Cc1ccccc1)C[C@@H](O)COc1cccc2[nH]c3ccccc3c21 ZINC000038473929 569801324 /nfs/dbraw/zinc/80/13/24/569801324.db2.gz FFZGDNBZNMTOCK-XMMPIXPASA-N 1 0 496.607 5.651 50 0 in-vitro JKAARO C[NH2+][C@H]1CC[C@@H](N(Cc2cccc(-c3ccncc3)c2)C(=O)c2sc3ccccc3c2Cl)CC1 ZINC000101549216 569801395 /nfs/dbraw/zinc/80/13/95/569801395.db2.gz VFSUUTYAEQOIMW-YHBQERECSA-N 1 0 490.072 6.790 50 0 in-vitro JKAARO CCOc1ccc([C@H](c2c(C)c(C)sc2NC(=O)c2cccs2)[NH+]2CCCCC2)cc1 ZINC000038545995 569802706 /nfs/dbraw/zinc/80/27/06/569802706.db2.gz CBZZBWCBERUYDY-HSZRJFAPSA-N 1 0 454.661 6.653 50 0 JKAARO CCc1cc([C@@H](c2ccc(OC)c(OC)c2)[NH+]2CCC(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546295 569802732 /nfs/dbraw/zinc/80/27/32/569802732.db2.gz CBCRUUGJNTUDIC-XMMPIXPASA-N 1 0 468.619 5.994 50 0 JKAARO CCOc1ccc([C@H](c2cc(CC)sc2NC(=O)c2ccco2)[NH+]2CCC(C)CC2)cc1 ZINC000038546293 569802739 /nfs/dbraw/zinc/80/27/39/569802739.db2.gz WOZNNWDEOQBOHT-XMMPIXPASA-N 1 0 452.620 6.376 50 0 JKAARO CCOc1ccc([C@@H](c2cc(CC)sc2NC(=O)c2ccco2)[NH+]2CCC(C)CC2)cc1 ZINC000038546294 569802792 /nfs/dbraw/zinc/80/27/92/569802792.db2.gz WOZNNWDEOQBOHT-DEOSSOPVSA-N 1 0 452.620 6.376 50 0 JKAARO COc1ccc(OC)c([C@H](c2cc(C)sc2NC(=O)c2ccco2)[NH+]2CCC(C)CC2)c1 ZINC000038546271 569802831 /nfs/dbraw/zinc/80/28/31/569802831.db2.gz MWYKYBAHRWLKHD-HSZRJFAPSA-N 1 0 454.592 5.740 50 0 JKAARO COc1ccc([C@@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)[NH+]2CCC(C)CC2)cc1OC ZINC000038546332 569802966 /nfs/dbraw/zinc/80/29/66/569802966.db2.gz FZFBAWOVGALWBZ-SANMLTNESA-N 1 0 494.657 6.311 50 0 JKAARO CC1CC[NH+]([C@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)c2ccc3c(c2)OCO3)CC1 ZINC000038546336 569802980 /nfs/dbraw/zinc/80/29/80/569802980.db2.gz XBDBQDAHCLOUCC-VWLOTQADSA-N 1 0 478.614 6.022 50 0 JKAARO CCOC(=O)C1CC[NH+]([C@@H](c2cccs2)c2c(NC(=O)c3ccco3)sc3c2CCCC3)CC1 ZINC000038546396 569803050 /nfs/dbraw/zinc/80/30/50/569803050.db2.gz AAMSITXGHIMDHQ-QHCPKHFHSA-N 1 0 498.670 5.898 50 0 JKAARO CCc1cc([C@@H](c2ccc(SC)cc2)N2CC[NH+](CC)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546547 569803244 /nfs/dbraw/zinc/80/32/44/569803244.db2.gz CRXCROQPGDAWQM-HSZRJFAPSA-N 1 0 469.676 5.605 50 0 JKAARO CC[NH+]1CCN([C@H](c2c3c(sc2NC(=O)c2ccco2)CCCC3)c2ccccc2OC)CC1 ZINC000038546571 569803317 /nfs/dbraw/zinc/80/33/17/569803317.db2.gz MGQGFUBPCRZNIT-VWLOTQADSA-N 1 0 479.646 5.208 50 0 JKAARO CC[NH+]1CCN([C@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)c2ccc(Cl)cc2)CC1 ZINC000038546573 569803323 /nfs/dbraw/zinc/80/33/23/569803323.db2.gz AMBSIHMORPXGKG-DEOSSOPVSA-N 1 0 484.065 5.853 50 0 JKAARO CC[NH+]1CCN([C@@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)c2ccccc2F)CC1 ZINC000038546584 569803394 /nfs/dbraw/zinc/80/33/94/569803394.db2.gz DUPHZINDDKLWSV-XMMPIXPASA-N 1 0 467.610 5.338 50 0 JKAARO CC[NH+]1CCN([C@@H](c2c(C)c(C)sc2NC(=O)c2cccs2)c2cccc(Cl)c2)CC1 ZINC000038546776 569803654 /nfs/dbraw/zinc/80/36/54/569803654.db2.gz HDHCXBKPSKGHQI-JOCHJYFZSA-N 1 0 474.095 6.059 50 0 JKAARO CC[NH+]1CCN([C@H](c2c(C)c(C)sc2NC(=O)c2cccs2)c2ccc(OC)cc2OC)CC1 ZINC000038546798 569803639 /nfs/dbraw/zinc/80/36/39/569803639.db2.gz AHEAMRYZEWESIX-DEOSSOPVSA-N 1 0 499.702 5.423 50 0 JKAARO CC[NH+]1CCN([C@@H](c2c(C)c(C)sc2NC(=O)c2cccs2)c2ccc(OC)c(OC)c2)CC1 ZINC000038546797 569803702 /nfs/dbraw/zinc/80/37/02/569803702.db2.gz YPINCPKIPYFPKL-XMMPIXPASA-N 1 0 499.702 5.423 50 0 JKAARO CC[NH+]1CCN([C@H](c2c(C)c(C)sc2NC(=O)c2cccs2)c2ccc(Cl)cc2)CC1 ZINC000038546773 569803734 /nfs/dbraw/zinc/80/37/34/569803734.db2.gz NSXFCNGNKKRJHK-QFIPXVFZSA-N 1 0 474.095 6.059 50 0 JKAARO CC[NH+]1CCN([C@@H](c2c(C)c(C)sc2NC(=O)c2cccs2)c2ccc(SC)cc2)CC1 ZINC000038546793 569803757 /nfs/dbraw/zinc/80/37/57/569803757.db2.gz BWGITFGYURLVOQ-HSZRJFAPSA-N 1 0 485.744 6.128 50 0 JKAARO CCC1=C(/C=C/c2sc3ccccc3[n+]2CC)CCC/C1=C\C=C1/Sc2ccccc2N1CC ZINC000039440219 569809845 /nfs/dbraw/zinc/80/98/45/569809845.db2.gz SKCSVKWXDYZXSZ-UHFFFAOYSA-N 1 0 485.742 8.512 50 0 JKAARO CCN1c2ccccc2S/C1=C\C=C1/CCC(/C=C/c2sc3ccccc3[n+]2CC)=C1Cl ZINC000039440187 569809849 /nfs/dbraw/zinc/80/98/49/569809849.db2.gz DFILTBLQJJTBEV-UHFFFAOYSA-N 1 0 478.106 7.909 50 0 JKAARO CCOC(=O)[C@H]1CCC[N@@H+]([C@@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)c2ccccc2)C1 ZINC000102423125 569812989 /nfs/dbraw/zinc/81/29/89/569812989.db2.gz JMJTUDCRHYLANB-UKILVPOCSA-N 1 0 476.642 5.982 50 0 JKAARO C[N@H+](Cc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)C1CCCCC1 ZINC000040030707 569814291 /nfs/dbraw/zinc/81/42/91/569814291.db2.gz QJDDZSAMVCIPBS-UHFFFAOYSA-N 1 0 495.620 5.643 50 0 JKAARO COc1ccccc1[C@H](CNC(=O)c1[nH]c2ccc(Br)cc2c1Cl)[NH+]1CCCC1 ZINC000040144915 569817676 /nfs/dbraw/zinc/81/76/76/569817676.db2.gz LBNVVEABOXNDSI-SFHVURJKSA-N 1 0 476.802 5.159 50 0 JKAARO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(c2nc(CN3CCOCC3)nc3scc(-c4cccs4)c32)C1 ZINC000040149319 569818900 /nfs/dbraw/zinc/81/89/00/569818900.db2.gz UHEKSDAEVXTPOK-HSALFYBXSA-N 1 0 497.734 5.094 50 0 JKAARO C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+](C)CCCc1cc(-c2ccc(F)cc2)n(C)n1 ZINC000040155674 569820876 /nfs/dbraw/zinc/82/08/76/569820876.db2.gz RDXCBLKKYPEHOU-NRFANRHFSA-N 1 0 470.592 5.785 50 0 JKAARO c1ccc(C(c2ccccc2)[NH+](Cc2cccc3cccnc32)Cc2cccc3cccnc32)cc1 ZINC000040158803 569822131 /nfs/dbraw/zinc/82/21/31/569822131.db2.gz PAEMFDIYDAUXFR-UHFFFAOYSA-N 1 0 465.600 7.575 50 0 JKAARO C[C@H](c1ccccc1)N(Cc1nc(C(=O)NCC[NH+](C)C)co1)Cc1ccc(Cl)c(Cl)c1 ZINC000040402427 569827748 /nfs/dbraw/zinc/82/77/48/569827748.db2.gz XVBHHZAMMKQBRM-QGZVFWFLSA-N 1 0 475.420 5.036 50 0 JKAARO C[NH+](C)C1CCN(C2=Nc3ccccc3Oc3ccc(NC(=O)c4cccc(Cl)c4)cc32)CC1 ZINC000103362022 569834783 /nfs/dbraw/zinc/83/47/83/569834783.db2.gz MMEYPRSPDLXAPP-UHFFFAOYSA-N 1 0 474.992 5.802 50 0 JKAARO C[C@H](c1nc2ccccc2s1)N(C)Cn1nc([C@H](C)N(C)C)n(-c2ccc(F)cc2)c1=S ZINC000103452749 569835132 /nfs/dbraw/zinc/83/51/32/569835132.db2.gz WSEKAOIJNLNYJY-JKSUJKDBSA-N 1 0 470.643 5.425 50 0 JKAARO CC(C)COC[C@H](O)C[N@@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000104982619 569847907 /nfs/dbraw/zinc/84/79/07/569847907.db2.gz CURVSYVAOPJFFZ-NHCUHLMSSA-N 1 0 483.411 5.161 50 0 JKAARO Cc1ccccc1OC[C@H](O)C[N@@H+](Cc1ccccc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104982703 569847970 /nfs/dbraw/zinc/84/79/70/569847970.db2.gz QJBASNOVBDTTFL-JWQCQUIFSA-N 1 0 464.993 5.084 50 0 JKAARO CC(C)COC[C@H](O)C[N@@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000104982631 569848017 /nfs/dbraw/zinc/84/80/17/569848017.db2.gz KMMQLZZSBAWRJE-NHCUHLMSSA-N 1 0 499.866 5.676 50 0 JKAARO O[C@@H](COCc1ccccc1)C[N@@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104984425 569848469 /nfs/dbraw/zinc/84/84/69/569848469.db2.gz OINASEFJJGMISZ-CLJLJLNGSA-N 1 0 482.983 5.052 50 0 JKAARO CCCC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)[C@H](C)CC ZINC000105005794 569849926 /nfs/dbraw/zinc/84/99/26/569849926.db2.gz IWODRLCSHBUFCO-GGAORHGYSA-N 1 0 465.638 6.040 50 0 JKAARO COc1cccc(C[N@@H+]2C[C@@H](CN(CC(C)C)C(=O)c3ccc(C)cc3)[C@H](c3ccccc3)C2)c1 ZINC000105018894 569851178 /nfs/dbraw/zinc/85/11/78/569851178.db2.gz LLKDNABYKWXPPT-JDXGNMNLSA-N 1 0 470.657 6.018 50 0 JKAARO Cc1cccc(C[N@H+]2CCc3ccc(O[C@H](C)C(=O)NCC(C)C)cc3[C@@H]2c2ccccc2)c1 ZINC000105022463 569851266 /nfs/dbraw/zinc/85/12/66/569851266.db2.gz PETXHXVPZODTIH-BTYSJIOQSA-N 1 0 456.630 5.682 50 0 JKAARO Cc1cccc(C[N@H+]2CCc3ccc(O[C@H](C)C(=O)N(C)Cc4ccco4)cc3[C@H]2c2ccccc2)c1 ZINC000105034756 569851466 /nfs/dbraw/zinc/85/14/66/569851466.db2.gz VUFGREGMGZHINS-WBBHLRKXSA-N 1 0 494.635 6.162 50 0 JKAARO COc1cccc([C@H]2C[N@H+](Cc3ccc(C)o3)C[C@@H]2CN(C(=O)c2ccccc2)C2CCCCC2)c1 ZINC000105042112 569851573 /nfs/dbraw/zinc/85/15/73/569851573.db2.gz KMDUORYILZHPCS-PDDLMNHVSA-N 1 0 486.656 6.287 50 0 JKAARO Cc1ccccc1[C@@H]1C[N@H+](Cc2cccc(F)c2)C[C@H]1CN(C(=O)c1ccccc1)C1CCCCC1 ZINC000105041328 569851588 /nfs/dbraw/zinc/85/15/88/569851588.db2.gz WTEHJWYQSSVQEZ-JTSJOTPCSA-N 1 0 484.659 6.825 50 0 JKAARO Cc1ccccc1[C@H]1C[N@H+](Cc2cccn2C)C[C@H]1CN(C(=O)c1ccc(F)cc1)C1CCCCC1 ZINC000105041305 569851600 /nfs/dbraw/zinc/85/16/00/569851600.db2.gz OCPPNMIEVSNRMK-QCDSWUKFSA-N 1 0 487.663 6.163 50 0 JKAARO COc1ccccc1C[N@H+]1C[C@@H](c2ccccc2OC)[C@@H](CN(CC(C)C)C(=O)c2ccccc2)C1 ZINC000105042139 569851625 /nfs/dbraw/zinc/85/16/25/569851625.db2.gz PCVMLOOBHWLPSI-IXCJQBJRSA-N 1 0 486.656 5.718 50 0 JKAARO Cn1cccc1C[N@@H+]1C[C@@H](CN(C(=O)c2ccccc2)C2CCCCC2)[C@@H](c2ccccc2)C1 ZINC000105042249 569851639 /nfs/dbraw/zinc/85/16/39/569851639.db2.gz UURHBBYSXCPWNR-LITSAYRRSA-N 1 0 455.646 5.716 50 0 JKAARO Cc1ccc(C[N@@H+]2C[C@@H](CN(C(=O)c3ccc(F)cc3)C3CCCCC3)[C@@H](c3ccccc3C)C2)o1 ZINC000105041693 569851693 /nfs/dbraw/zinc/85/16/93/569851693.db2.gz YPOFKLQJXBUPHX-QCDSWUKFSA-N 1 0 488.647 6.726 50 0 JKAARO Cc1ccc(C[N@@H+]2C[C@H](CN(C(=O)c3cccc(F)c3)C3CC3)[C@@H](c3ccc(F)cc3)C2)o1 ZINC000105041475 569851715 /nfs/dbraw/zinc/85/17/15/569851715.db2.gz SMIPPUNZRRSAJX-QFQXNSOFSA-N 1 0 450.529 5.387 50 0 JKAARO CCC[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3cccc4ccccc43)=NN12 ZINC000051329958 569851884 /nfs/dbraw/zinc/85/18/84/569851884.db2.gz KLVACEBMLCQWFJ-RUZDIDTESA-N 1 0 490.445 6.348 50 0 JKAARO COc1cccc([C@@H]2C[N@H+](Cc3ccco3)C[C@@H]2CN(CC(C)C)C(=O)c2ccc(F)cc2)c1 ZINC000105042479 569851859 /nfs/dbraw/zinc/85/18/59/569851859.db2.gz QFSXUIVQGITYFC-KCWPFWIISA-N 1 0 464.581 5.441 50 0 JKAARO COc1ccc([C@H]2C[N@H+](Cc3cccc(C)c3)C[C@@H]2CN(Cc2ccc(F)cc2)C(C)=O)cc1 ZINC000105042754 569851908 /nfs/dbraw/zinc/85/19/08/569851908.db2.gz SGQBSSUHBVSQKM-GGXMVOPNSA-N 1 0 460.593 5.407 50 0 JKAARO COc1ccc(C[N@@H+]2C[C@@H](CN(Cc3ccc(F)cc3)C(C)=O)[C@H](c3ccc(C)cc3)C2)cc1 ZINC000105042927 569851920 /nfs/dbraw/zinc/85/19/20/569851920.db2.gz ICLOPCRSKOTYNV-WNJJXGMVSA-N 1 0 460.593 5.407 50 0 JKAARO O=C(CN1CCN(c2cccc(Cl)c2)CC1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000052537524 569852352 /nfs/dbraw/zinc/85/23/52/569852352.db2.gz WEPOKKFVGFBLIJ-UHFFFAOYSA-N 1 0 465.825 5.138 50 0 JKAARO COc1cccc([C@@H]2C[N@H+](Cc3ccc(Cl)cc3)C[C@@H]2CN(CC(C)C)C(=O)C(C)C)c1 ZINC000105050612 569852511 /nfs/dbraw/zinc/85/25/11/569852511.db2.gz OQZHOFIAJOWLSA-BVAGGSTKSA-N 1 0 457.058 5.705 50 0 JKAARO COc1cc(C[N@@H+]2C[C@@H](CN(C(=O)C(C)C)C(C)C)[C@@H](c3ccc(C)cc3)C2)cc(OC)c1 ZINC000105050757 569852554 /nfs/dbraw/zinc/85/25/54/569852554.db2.gz ZIYWPDNBALTJNA-RPLLCQBOSA-N 1 0 452.639 5.121 50 0 JKAARO CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]2[C@H]2c3ccccc3C=CN12 ZINC000108521398 569859528 /nfs/dbraw/zinc/85/95/28/569859528.db2.gz BRYMWRQCRUSLGF-NCYKPQTJSA-N 1 0 469.368 5.124 50 0 JKAARO O=[n+]1c2ccccc2n(O)c(CSc2nc3ccccc3[nH]2)c1CSc1nc2ccccc2[nH]1 ZINC000136441327 569864630 /nfs/dbraw/zinc/86/46/30/569864630.db2.gz SDKYPHTXGQNWLS-UHFFFAOYSA-N 1 0 487.590 5.130 50 0 JKAARO CC[C@H](C)[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@@H](O)COC(C)C ZINC000169677837 569868867 /nfs/dbraw/zinc/86/88/67/569868867.db2.gz HZOWYFLPMBRRRR-NZQKXSOJSA-N 1 0 469.601 5.499 50 0 JKAARO CC[C@@H](C)[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C[C@@H](O)COC(C)C ZINC000169677845 569868990 /nfs/dbraw/zinc/86/89/90/569868990.db2.gz DHSMAQLGFKJTPZ-ZJSXRUAMSA-N 1 0 481.637 5.368 50 0 JKAARO CC[C@@H](C)[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)C[C@@H](O)COC(C)(C)C ZINC000169678891 569869287 /nfs/dbraw/zinc/86/92/87/569869287.db2.gz ABALIXCKRIRJDL-ZJSXRUAMSA-N 1 0 465.638 5.750 50 0 JKAARO CC[C@@H](C)[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@@H](O)COC(C)(C)C ZINC000169679085 569869490 /nfs/dbraw/zinc/86/94/90/569869490.db2.gz PDZJRYUJRMHQMZ-RCZVLFRGSA-N 1 0 479.665 6.058 50 0 JKAARO CC[C@H](C)[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@@H](O)COC(C)C ZINC000169679084 569869516 /nfs/dbraw/zinc/86/95/16/569869516.db2.gz WXIPNPZQGLYDIU-GBXCKJPGSA-N 1 0 469.601 5.499 50 0 JKAARO CCOC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)[C@@H](C)CC ZINC000169679551 569869817 /nfs/dbraw/zinc/86/98/17/569869817.db2.gz HYMXTUIGQHQFCD-XUZZJYLKSA-N 1 0 451.611 5.279 50 0 JKAARO CC[C@@H](C)[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@@H](O)COC(C)(C)C ZINC000169679581 569869837 /nfs/dbraw/zinc/86/98/37/569869837.db2.gz CIPQFWXPVBYLNG-NFBKMPQASA-N 1 0 483.628 5.889 50 0 JKAARO O[C@@H](COCc1ccco1)C[N@@H+](Cc1ccccc1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000169679599 569869841 /nfs/dbraw/zinc/86/98/41/569869841.db2.gz DVHMFWPEHCPBRK-IRLDBZIGSA-N 1 0 489.399 5.159 50 0 JKAARO CC(=O)N(Cc1ccc(F)cc1)C[C@@H]1C[N@H+](Cc2sccc2C)C[C@@H]1c1ccc(C)cc1 ZINC000169679799 569869933 /nfs/dbraw/zinc/86/99/33/569869933.db2.gz FARGFZFAMCIMCX-AZGAKELHSA-N 1 0 450.623 5.768 50 0 JKAARO Cc1ccc(C[N@@H+]2C[C@H](CN(C(=O)c3ccc(F)cc3)C3CCCCC3)[C@@H](c3ccccc3C)C2)cc1 ZINC000169679961 569870036 /nfs/dbraw/zinc/87/00/36/569870036.db2.gz TWIKVPKHKQVTAE-NSJVFKKDSA-N 1 0 498.686 7.133 50 0 JKAARO CCOC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)[C@@H](C)CC ZINC000169680013 569870062 /nfs/dbraw/zinc/87/00/62/569870062.db2.gz ZQRJAOLFBFJXNK-JTHBVZDNSA-N 1 0 451.611 5.186 50 0 JKAARO COc1cccc([C@H]2C[N@H+](Cc3cc(C)ccc3F)C[C@@H]2CN(CC(C)C)C(=O)C(C)C)c1 ZINC000169679933 569870118 /nfs/dbraw/zinc/87/01/18/569870118.db2.gz ICPDNOKXHIAZRS-AOYPEHQESA-N 1 0 454.630 5.499 50 0 JKAARO CC[C@H](C)[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)C[C@@H](O)COCC(C)C ZINC000169680070 569870127 /nfs/dbraw/zinc/87/01/27/569870127.db2.gz BXADOLCVXISLDC-LADGPHEKSA-N 1 0 495.664 5.522 50 0 JKAARO CC[C@H](C)[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@@H](O)COC(C)(C)C ZINC000169680372 569870537 /nfs/dbraw/zinc/87/05/37/569870537.db2.gz LFNPGAZHABVBTM-GBXCKJPGSA-N 1 0 483.628 5.889 50 0 JKAARO CC[C@H](C)[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@@H](O)COCC(C)C ZINC000169681944 569870928 /nfs/dbraw/zinc/87/09/28/569870928.db2.gz NSVUJGQHXJDCSG-LADGPHEKSA-N 1 0 465.638 5.513 50 0 JKAARO O=C(NCc1ccccc1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@@H]12 ZINC000169681935 569870993 /nfs/dbraw/zinc/87/09/93/569870993.db2.gz XRYZNNMREQSSSX-RSXGOPAZSA-N 1 0 497.536 5.024 50 0 JKAARO CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)[C@@H]1c1cccs1 ZINC000169782481 569872524 /nfs/dbraw/zinc/87/25/24/569872524.db2.gz JZXJENSQODVAJC-VCPRHENPSA-N 1 0 481.706 5.169 50 0 JKAARO S=c1n(CN2CCC[C@@H]3CCCC[C@H]32)nc(-c2ccccc2)n1Cc1ccc2c(c1)OCO2 ZINC000229999388 570043356 /nfs/dbraw/zinc/04/33/56/570043356.db2.gz SZCSMJCCQBHWHP-RBBKRZOGSA-N 1 0 462.619 5.470 50 0 JKAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1 ZINC000230077549 570044581 /nfs/dbraw/zinc/04/45/81/570044581.db2.gz VVZIVQNXIXNZMG-BQQUOAEZSA-N 1 0 479.690 5.352 50 0 JKAARO O[C@@H](Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21)C[N@H+](Cc1ccccc1)[C@H]1CCCC[C@H]1O ZINC000239173860 570049167 /nfs/dbraw/zinc/04/91/67/570049167.db2.gz OVNOSJCTSBMTDI-KKVCJECGSA-N 1 0 497.466 6.268 50 0 JKAARO C[C@@]12C(=O)[C@@H]([C@H](c3ccccc3)N[C@@H]1c1ccccc1)[C@H](c1ccccc1)[NH2+][C@H]2c1ccccc1 ZINC000239287402 570050117 /nfs/dbraw/zinc/05/01/17/570050117.db2.gz CRZYYNZUSNTEQP-BYKDOIGYSA-N 1 0 458.605 6.350 50 0 JKAARO NC1=[NH+]C[C@H](CS[C@]23CCCC[C@H]2[C@@H](c2ccccc2)C=C(c2ccccc2)S3)S1 ZINC000239328942 570050771 /nfs/dbraw/zinc/05/07/71/570050771.db2.gz JWDPJXKKWLZBTK-APDHKMKFSA-N 1 0 452.714 6.608 50 0 JKAARO CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2C(=O)c2sc3ccccc3c2Cl)CC1 ZINC000241121812 570052988 /nfs/dbraw/zinc/05/29/88/570052988.db2.gz JEBMSSKARJGRIT-UIFIKXQLSA-N 1 0 488.097 5.271 50 0 JKAARO C[C@@H]1CCCC[N@@H+]1CCCN1C(=O)c2ccc(-c3ccco3)n2C[C@]1(C)C(=O)NC1CCCCCC1 ZINC000245228498 570055582 /nfs/dbraw/zinc/05/55/82/570055582.db2.gz BHYDECZKMVPXTJ-KPURRNSFSA-N 1 0 494.680 5.066 50 0 JKAARO CC[C@H]1CCCC[N@@H+]1CCCN1C(=O)c2cc3occc3n2C[C@]1(C)C(=O)NC1CCCCCCC1 ZINC000245236602 570057069 /nfs/dbraw/zinc/05/70/69/570057069.db2.gz USBLMRWLZXNQLB-MUAVYFROSA-N 1 0 496.696 5.333 50 0 JKAARO C[C@@H]1CCC[C@H](C)[N@H+]1CCCN1C(=O)c2cc3sccc3n2C[C@]1(C)C(=O)NC1CCCCC1 ZINC000245261328 570060913 /nfs/dbraw/zinc/06/09/13/570060913.db2.gz PNERHSRMPPSCPA-IOKPGSKQSA-N 1 0 484.710 5.019 50 0 JKAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)COc1ccc(-c2nc3ccccc3s2)cc1 ZINC000245266090 570060967 /nfs/dbraw/zinc/06/09/67/570060967.db2.gz IKEPIUNMNPFVMF-RCZVLFRGSA-N 1 0 469.610 5.485 50 0 JKAARO Cc1cccc(C[N@H+](C[C@@H](Oc2ccc(F)c(F)c2)C(=O)Nc2ccccc2)C[C@H]2CCCO2)c1 ZINC000245279438 570061338 /nfs/dbraw/zinc/06/13/38/570061338.db2.gz FKVFSQUXNBZVRO-SHQCIBLASA-N 1 0 480.555 5.341 50 0 JKAARO COc1ccc([C@H]2C[N@H+](Cc3cc(C)c(C)o3)C[C@H]2CN(Cc2ccc(F)cc2)C(C)=O)cc1 ZINC000245280907 570062142 /nfs/dbraw/zinc/06/21/42/570062142.db2.gz VTRYEKFMEUKFQE-RBJSKKJNSA-N 1 0 464.581 5.308 50 0 JKAARO CCCCOc1ccc([C@](C)(O)[C@H](CN2CC[NH+]([C@H]3CCCC[C@H]3OC)CC2)c2ccccc2)cc1 ZINC000245295439 570062591 /nfs/dbraw/zinc/06/25/91/570062591.db2.gz FDLGLXYCHXTXKQ-ITGKQZKFSA-N 1 0 494.720 5.432 50 0 JKAARO CCCCOc1ccc([C@](C)(O)[C@H](CN2CC[NH+]([C@@H]3CCCC[C@H]3OC)CC2)c2ccccc2)cc1 ZINC000245295443 570062614 /nfs/dbraw/zinc/06/26/14/570062614.db2.gz FDLGLXYCHXTXKQ-VTMRUAGOSA-N 1 0 494.720 5.432 50 0 JKAARO CC(C)CN(C[C@H]1C[N@H+](Cc2ccccc2C(F)(F)F)C[C@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000245327083 570065072 /nfs/dbraw/zinc/06/50/72/570065072.db2.gz IRGAHQCHJJNPON-VWNXMTODSA-N 1 0 478.574 6.201 50 0 JKAARO CCCC[C@H](CC)C(=O)N1CCCN(C(=O)CN2CCc3sccc3[C@H]2c2cccc(F)c2)CC1 ZINC000245327049 570065144 /nfs/dbraw/zinc/06/51/44/570065144.db2.gz IAXOWSNOGCMTFE-KDYSTLNUSA-N 1 0 499.696 5.112 50 0 JKAARO O=C1[C@H]2[C@@H](c3ccc(Cl)cc3Cl)[NH2+][C@@H](Cc3ccccc3)[C@H]2C(=O)N1c1ccccc1 ZINC000247711459 570068968 /nfs/dbraw/zinc/06/89/68/570068968.db2.gz JZNSHSOKIWJMSS-WBADGQHESA-N 1 0 451.353 5.055 50 0 JKAARO COc1ccc([C@@H]2C[N@H+](Cc3cccs3)C[C@H]2CN(Cc2ccc(F)cc2)C(C)=O)cc1 ZINC000247932522 570071399 /nfs/dbraw/zinc/07/13/99/570071399.db2.gz KHAGTXLJKXIGAT-NVQXNPDNSA-N 1 0 452.595 5.160 50 0 JKAARO COc1cccc(C[N@H+](C[C@@H](O)COc2ccccc2C)C[C@H]2CC(c3ccc(Cl)cc3)=NO2)c1 ZINC000248012887 570072605 /nfs/dbraw/zinc/07/26/05/570072605.db2.gz JNOZFAKXYZWQKI-AOYPEHQESA-N 1 0 495.019 5.092 50 0 JKAARO Cc1cc(C[N@H+]2C[C@@H](CN(C(=O)c3ccc(F)cc3)C(C)C)[C@H](c3ccccc3C)C2)oc1C ZINC000248036183 570073132 /nfs/dbraw/zinc/07/31/32/570073132.db2.gz YZTWRCXSUHPZBH-RBJSKKJNSA-N 1 0 462.609 6.110 50 0 JKAARO CCCCCCC(=O)N1CCCN(C(=O)[C@H](C)[N@@H+]2CCc3sccc3[C@H]2c2ccccc2C)CC1 ZINC000248068185 570073382 /nfs/dbraw/zinc/07/33/82/570073382.db2.gz GJSCURGNMIPHTM-NEKDWFFYSA-N 1 0 495.733 5.424 50 0 JKAARO Cc1ccc(C(=O)N(C[C@@H]2C[N@H+](Cc3ccco3)C[C@H]2c2cccc(C(F)(F)F)c2)C(C)C)cc1 ZINC000248087454 570073763 /nfs/dbraw/zinc/07/37/63/570073763.db2.gz FNFNNGURZGQJNT-OZXSUGGESA-N 1 0 484.562 6.373 50 0 JKAARO Cc1ccc(C(=O)N(CC(C)C)C[C@H]2C[N@H+](Cc3cccc(C)c3)C[C@H]2c2ccccc2)cc1 ZINC000248267133 570077271 /nfs/dbraw/zinc/07/72/71/570077271.db2.gz YDYMUUXDTQCDMN-IHLOFXLRSA-N 1 0 454.658 6.317 50 0 JKAARO Cc1cc(OCC(=O)Nc2cccnc2SC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)ccc1Cl ZINC000253399774 570096405 /nfs/dbraw/zinc/09/64/05/570096405.db2.gz DGNGPPXVSBSODG-PGRDOPGGSA-N 1 0 460.043 5.418 50 0 biogenic JKAARO COc1cc2oc(=O)cc(-c3ccccc3)c2cc1CCC(=O)N(C)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000253410178 570097568 /nfs/dbraw/zinc/09/75/68/570097568.db2.gz MXNKWVJDTAMPEL-JYFHCDHNSA-N 1 0 488.628 5.124 50 0 biogenic JKAARO C[C@@H]1C[C@H](C)C[N@@H+](CCC(=O)O[C@@H]2CC[C@@H]3[C@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@@H]4CC[C@]23C)C1 ZINC000253487986 570099972 /nfs/dbraw/zinc/09/99/72/570099972.db2.gz UZYZRISMGTUDCJ-KBKGMNQPSA-N 1 0 457.699 5.878 50 0 JKAARO CC(=O)[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 ZINC000253499178 570100911 /nfs/dbraw/zinc/10/09/11/570100911.db2.gz CYXPZJSOSYXEMC-XRESUKDZSA-N 1 0 455.683 5.942 50 0 biogenic JKAARO C[C@@H](NC(=O)c1ccc(N2CCC([NH2+]CCc3c[nH]c4ccccc34)CC2)cc1)c1ccccc1 ZINC000299769350 570175647 /nfs/dbraw/zinc/17/56/47/570175647.db2.gz MKYIBIRVMKHXDT-JOCHJYFZSA-N 1 0 466.629 5.460 50 0 JKAARO C[C@H](NC(=O)c1ccc(N2CCC([NH2+]C3CCN(Cc4ccccc4)CC3)CC2)cc1)c1ccccc1 ZINC000299778915 570176264 /nfs/dbraw/zinc/17/62/64/570176264.db2.gz SRBQWFMGZYJWBG-VWLOTQADSA-N 1 0 496.699 5.401 50 0 JKAARO CC(C)c1cc(C(C)C)c(-c2csc(N(CC[NH+](C)C)Cc3cccnc3)n2)c(C(C)C)c1 ZINC000001545003 194127741 /nfs/dbraw/zinc/12/77/41/194127741.db2.gz VVBFISAUNSXQGZ-UHFFFAOYSA-N 1 0 464.723 7.144 50 0 in-man JKAARO Cc1ccc(S(=O)(=O)N(C[C@H](O)C[NH+](CC(C)C)CC(C)C)c2cccc3ccccc32)cc1 ZINC000001768808 194135645 /nfs/dbraw/zinc/13/56/45/194135645.db2.gz LVXUKLFKPJUZJB-RUZDIDTESA-N 1 0 482.690 5.318 50 0 JKAARO CCC(=C(c1ccc(OC)cc1)c1ccc(OC)cc1)c1cn(CCC[NH+](C)C)c2ccccc12 ZINC000001853599 194150142 /nfs/dbraw/zinc/15/01/42/194150142.db2.gz XAJXGPFUFXDVJZ-UHFFFAOYSA-N 1 0 468.641 6.979 50 0 JKAARO CC[NH+]1CCC2(CC1)N=C(c1ccc(F)cc1)C(=S)N2C(=O)c1ccc(C(C)(C)C)cc1 ZINC000002716072 194164809 /nfs/dbraw/zinc/16/48/09/194164809.db2.gz XELUVYXYXVQHRO-UHFFFAOYSA-N 1 0 451.611 5.208 50 0 JKAARO O=C(Nc1ccc(Cl)cc1)C1CC[NH+](Cc2cnn(-c3ccccc3)c2-n2cccc2)CC1 ZINC000002960418 194181343 /nfs/dbraw/zinc/18/13/43/194181343.db2.gz KCAZCXNAZYQJMP-UHFFFAOYSA-N 1 0 459.981 5.167 50 0 JKAARO CCc1cccc(NC(=O)C2CC[NH+](Cc3cnn(-c4ccccc4)c3-n3cccc3)CC2)c1 ZINC000002960468 194181604 /nfs/dbraw/zinc/18/16/04/194181604.db2.gz HQVONYPWQVBPTJ-UHFFFAOYSA-N 1 0 453.590 5.076 50 0 JKAARO O=C(Nc1ccc(Cl)c(Cl)c1)Nc1cc(C(=O)NCC[NH+]2CCCCCC2)ccc1Cl ZINC000002933442 194173836 /nfs/dbraw/zinc/17/38/36/194173836.db2.gz WXLNCPDIXKCGPG-UHFFFAOYSA-N 1 0 483.827 5.897 50 0 JKAARO COc1ccc([C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)cc1CSc1nnc(-c2ccccc2)o1 ZINC000002944619 194175763 /nfs/dbraw/zinc/17/57/63/194175763.db2.gz BSJMMZPXVCLQTO-DEOSSOPVSA-N 1 0 468.582 5.754 50 0 JKAARO COc1ccc([C@H]2[NH2+]CCc3c4ccccc4[nH]c32)cc1CSc1nnc(-c2ccccc2)o1 ZINC000002944621 194175862 /nfs/dbraw/zinc/17/58/62/194175862.db2.gz BSJMMZPXVCLQTO-XMMPIXPASA-N 1 0 468.582 5.754 50 0 JKAARO CCn1cc(CN(CCC[NH+](CC)CC)C(=S)Nc2cccc(Cl)c2)c2ccccc21 ZINC000003029525 194212393 /nfs/dbraw/zinc/21/23/93/194212393.db2.gz NTXWHDMZXWMQAM-UHFFFAOYSA-N 1 0 457.087 6.246 50 0 JKAARO CCn1cc(CN(CCC[NH+](CC)CC)C(=S)Nc2ccc(C)c(Cl)c2)c2ccccc21 ZINC000003029508 194212447 /nfs/dbraw/zinc/21/24/47/194212447.db2.gz SVCITNNPGGRBMM-UHFFFAOYSA-N 1 0 471.114 6.554 50 0 JKAARO CC(C)[N@H+](CCCNC(=O)c1cc(Sc2ccc(F)cc2)nc2ccccc21)Cc1ccccc1 ZINC000003040010 194215040 /nfs/dbraw/zinc/21/50/40/194215040.db2.gz HWUHGTWFVXBKII-UHFFFAOYSA-N 1 0 487.644 6.556 50 0 JKAARO C[N@H+](CCCNC(=O)c1cc(Sc2ccc(Cl)cc2)nc2ccccc21)C1CCCCC1 ZINC000003040006 194215061 /nfs/dbraw/zinc/21/50/61/194215061.db2.gz RUBDDFHBQAQWEY-UHFFFAOYSA-N 1 0 468.066 6.424 50 0 JKAARO O=C(NCCC[NH+]1CCCCCC1)c1cc(Sc2ccc(Cl)cc2)nc2ccccc21 ZINC000003040000 194215067 /nfs/dbraw/zinc/21/50/67/194215067.db2.gz OLUHKKGPALPFML-UHFFFAOYSA-N 1 0 454.039 6.035 50 0 JKAARO Cc1ccc(CN2c3cc(C(=O)NCCC[NH+]4CCCC4)ccc3Sc3ccccc3C2=O)cc1 ZINC000003040204 194215257 /nfs/dbraw/zinc/21/52/57/194215257.db2.gz MXHNWFRPIBUDTC-UHFFFAOYSA-N 1 0 485.653 5.522 50 0 JKAARO COc1ccccc1Nc1cc(C(=O)NCC[N@H+](Cc2ccccc2)C(C)C)c2ccccc2n1 ZINC000003053834 194219904 /nfs/dbraw/zinc/21/99/04/194219904.db2.gz CATVVIYZXFOFBC-UHFFFAOYSA-N 1 0 468.601 5.627 50 0 JKAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2c(c1)N(Cc1cccc(F)c1)C(=O)c1ccccc1S2 ZINC000003056336 194221098 /nfs/dbraw/zinc/22/10/98/194221098.db2.gz HJHHRLIJLGIZMN-QFIPXVFZSA-N 1 0 489.616 5.351 50 0 JKAARO COc1cc2c(cc1OCc1ccccc1)C(CCc1cc(OC)c(OC)c(OC)c1)=[N+](C)[C@H](C)C2 ZINC000003124383 194228918 /nfs/dbraw/zinc/22/89/18/194228918.db2.gz OSGLLSDJLUJWOS-HXUWFJFHSA-N 1 0 490.620 5.309 50 0 JKAARO COc1ccc(C[C@H]2c3c(cc(OC)c(OCc4ccccc4)c3OC)CC[N@H+]2C)cc1OC ZINC000003124394 194228928 /nfs/dbraw/zinc/22/89/28/194228928.db2.gz KOPLJIMOJIHJFE-QFIPXVFZSA-N 1 0 463.574 5.072 50 0 JKAARO CCCC[N@H+](C)C[C@@H](O)Cn1c2ccc(Br)cc2c2cc(Br)ccc21 ZINC000003138246 194230857 /nfs/dbraw/zinc/23/08/57/194230857.db2.gz FEUSIKWECNSVOC-MRXNPFEDSA-N 1 0 468.233 5.412 50 0 JKAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000003175689 194234667 /nfs/dbraw/zinc/23/46/67/194234667.db2.gz BKJKUXDFLNNHRO-IGKIAQTJSA-N 1 0 483.015 5.949 50 0 JKAARO COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2c3ccc(C)cc3[C@@H]3C[N@@H+](C)CC[C@@H]32)cc1 ZINC000003217078 194241247 /nfs/dbraw/zinc/24/12/47/194241247.db2.gz CCVGPSSIPPYTFZ-LSYYVWMOSA-N 1 0 478.596 5.304 50 0 JKAARO CCN(CC)c1ccc(NC(=O)C[n+]2c3cc(C(F)(F)F)ccc3n3c2CCCCC3)cc1 ZINC000003262861 194255727 /nfs/dbraw/zinc/25/57/27/194255727.db2.gz KAPJLYGXPRZCFT-UHFFFAOYSA-O 1 0 459.536 5.159 50 0 JKAARO Cc1nn(-c2ccccc2Cl)c2sc(C(=O)N[C@@H](C)[C@H](c3cccs3)[NH+]3CCCC3)cc12 ZINC000003265073 194256256 /nfs/dbraw/zinc/25/62/56/194256256.db2.gz QRDDWUOPKONADD-KSFYIVLOSA-N 1 0 485.078 6.066 50 0 JKAARO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1cc2c(C)nn(Cc3ccccc3)c2s1 ZINC000003290690 194266905 /nfs/dbraw/zinc/26/69/05/194266905.db2.gz WMEFTVSXCICPGC-UHFFFAOYSA-N 1 0 486.645 5.398 50 0 JKAARO COc1ccc([C@@H](CNC(=O)c2oc3ccc(Br)cc3c2C)[NH+]2CCCCC2)cc1 ZINC000003347552 194294206 /nfs/dbraw/zinc/29/42/06/194294206.db2.gz JUJOIIRNEAIGDF-OAQYLSRUSA-N 1 0 471.395 5.469 50 0 JKAARO CCOC(=O)c1c(NC(=O)[C@H]([NH2+]C2CCCCC2)c2ccccc2)sc2c1CC[C@@H](C)C2 ZINC000003342450 194291215 /nfs/dbraw/zinc/29/12/15/194291215.db2.gz ITQYRERCWZDIJZ-UZUQRXQVSA-N 1 0 454.636 5.652 50 0 JKAARO Cc1cc(C)cc(Nc2cc(C(=O)NCCC[N@H+](Cc3ccccc3)C(C)C)c3ccccc3n2)c1 ZINC000003585452 194339193 /nfs/dbraw/zinc/33/91/93/194339193.db2.gz DTRXUCATVGQUPC-UHFFFAOYSA-N 1 0 480.656 6.626 50 0 JKAARO COc1ccc(Nc2cc(C(=O)NCC[N@H+](Cc3ccccc3)C(C)C)c3ccccc3n2)c(OC)c1 ZINC000003585694 194339225 /nfs/dbraw/zinc/33/92/25/194339225.db2.gz ZWIZPDNRQQKOEN-UHFFFAOYSA-N 1 0 498.627 5.636 50 0 JKAARO COc1cc(Cl)c(C)cc1NC(=S)N(CC[NH+]1CCCCCC1)Cc1cccs1 ZINC000003665673 194356565 /nfs/dbraw/zinc/35/65/65/194356565.db2.gz JZTIIRHGHHZGME-UHFFFAOYSA-N 1 0 452.089 5.794 50 0 JKAARO CCC[NH+](CCC)CCCNC(=O)c1ccc2c(c1)N(Cc1cc(C)ccc1C)C(=O)CS2 ZINC000003638740 194346557 /nfs/dbraw/zinc/34/65/57/194346557.db2.gz SFFQPSUPXJGQPW-UHFFFAOYSA-N 1 0 467.679 5.184 50 0 JKAARO Cc1ccc(C)c(CN2C(=O)CSc3ccc(C(=O)NC[C@H](C)C[NH+]4CCC(C)CC4)cc32)c1 ZINC000003638757 194346626 /nfs/dbraw/zinc/34/66/26/194346626.db2.gz HESUDRNUKZOMJT-NRFANRHFSA-N 1 0 479.690 5.040 50 0 JKAARO CCCCOc1ccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCC[NH+](C)C)cc1OC ZINC000003655670 194352397 /nfs/dbraw/zinc/35/23/97/194352397.db2.gz CPLDQJHNIBRWLU-AREMUKBSSA-N 1 0 492.616 5.094 50 0 JKAARO Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1cccc(OCCC(C)C)c1)N(CCC[NH+](C)C)C3=O ZINC000003655673 194352409 /nfs/dbraw/zinc/35/24/09/194352409.db2.gz XSQGYNHZXMHTHU-AREMUKBSSA-N 1 0 476.617 5.332 50 0 JKAARO COc1cc(Cl)c(C)cc1NC(=S)N(CCC[N@@H+]1CCC[C@H](C)C1)Cc1ccco1 ZINC000003665684 194356530 /nfs/dbraw/zinc/35/65/30/194356530.db2.gz QYSXPJBZPDXXLF-KRWDZBQOSA-N 1 0 450.048 5.571 50 0 JKAARO CC[NH+](CC)CCC[C@@H](C)Nc1cc(/C=C/c2ccccc2Cl)nc2cc(Cl)ccc21 ZINC000003882238 194366576 /nfs/dbraw/zinc/36/65/76/194366576.db2.gz CMLVHSVFSYNMGM-XYDKVEKUSA-N 1 0 456.461 7.634 50 0 in-man JKAARO Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000009244641 194629595 /nfs/dbraw/zinc/62/95/95/194629595.db2.gz GYBMJMBEIPGQRW-XMMPIXPASA-N 1 0 459.546 5.184 50 0 JKAARO COc1ccc2c(c1)[nH]c(C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c2Sc1ccccc1 ZINC000009288378 194663383 /nfs/dbraw/zinc/66/33/83/194663383.db2.gz IDZCMURIEJQXDX-RTBURBONSA-N 1 0 451.636 5.426 50 0 JKAARO COc1ccc2c(c1)[nH]c(C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c2Sc1ccc(Cl)cc1 ZINC000009288644 194664139 /nfs/dbraw/zinc/66/41/39/194664139.db2.gz WKWDVMVZCOUIBD-QZTJIDSGSA-N 1 0 486.081 6.079 50 0 JKAARO CCC[NH+](CCC)CCCNC(=O)[C@@H]1c2ccccc2C(=O)N(CC(C)C)[C@@H]1c1cccs1 ZINC000009433063 194778793 /nfs/dbraw/zinc/77/87/93/194778793.db2.gz DFMQXUNYLAWZKP-JWQCQUIFSA-N 1 0 469.695 5.313 50 0 JKAARO Cc1cccc(N2C(=O)[C@@H](Oc3ccc(Cl)cc3Cl)[C@H]2C[NH2+]CCc2ccccc2)c1C ZINC000009835528 194986664 /nfs/dbraw/zinc/98/66/64/194986664.db2.gz AYUACYNLOBYABF-NOZRDPDXSA-N 1 0 469.412 5.605 50 0 JKAARO CCn1c(C[NH+]2CCCCCC2)nc2cc(NC(=O)COc3ccc(C(C)(C)C)cc3)ccc21 ZINC000009942144 195029631 /nfs/dbraw/zinc/02/96/31/195029631.db2.gz ROZVOUCOUGLPJH-UHFFFAOYSA-N 1 0 462.638 5.747 50 0 JKAARO CCCn1c(C[NH+]2CCCCCC2)nc2cc(NC(=O)c3cc(OC)c(OC)c(OC)c3)ccc21 ZINC000009942456 195029909 /nfs/dbraw/zinc/02/99/09/195029909.db2.gz IOAAGMODFQBWHJ-UHFFFAOYSA-N 1 0 480.609 5.100 50 0 JKAARO Cc1cc(OCC(=O)Nc2ccc3c(c2)nc(C[NH+]2CCCCCC2)n3C(C)C)ccc1Cl ZINC000009942819 195030299 /nfs/dbraw/zinc/03/02/99/195030299.db2.gz FOQIFHVPNCKASY-UHFFFAOYSA-N 1 0 469.029 5.973 50 0 JKAARO COc1ccccc1OCC(=O)Nc1ccc2c(c1)nc(C[NH+]1CCCCCC1)n2C(C)C ZINC000009959515 195038219 /nfs/dbraw/zinc/03/82/19/195038219.db2.gz JAOXZBWVIVPHNX-UHFFFAOYSA-N 1 0 450.583 5.019 50 0 JKAARO CCCC[NH+](CCCC)C[C@@H](O)CN(c1cccc2ccccc21)S(=O)(=O)c1ccc(C)cc1 ZINC000009968836 195041784 /nfs/dbraw/zinc/04/17/84/195041784.db2.gz JGNUPFHQUQZLQB-RUZDIDTESA-N 1 0 482.690 5.607 50 0 JKAARO COc1ccc([C@H](CNC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[NH+]2CCCCC2)cc1 ZINC000012644199 195073144 /nfs/dbraw/zinc/07/31/44/195073144.db2.gz KJMNZXIHCREPBZ-FQEVSTJZSA-N 1 0 474.445 5.690 50 0 JKAARO O=C(NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCCCN1C(=O)c1cccs1 ZINC000012742072 195101300 /nfs/dbraw/zinc/10/13/00/195101300.db2.gz CTYZTOZRISAAJZ-AREMUKBSSA-N 1 0 487.669 5.322 50 0 JKAARO C[C@@H](NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1nc2scc(-c3cccs3)c2c(=O)[nH]1 ZINC000012748863 195104025 /nfs/dbraw/zinc/10/40/25/195104025.db2.gz BJTDWZWGNMCPGP-OAHLLOKOSA-N 1 0 485.078 5.682 50 0 JKAARO Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)N(Cc3ccco3)C3CC[NH+](C)CC3)cc12 ZINC000012759839 195109994 /nfs/dbraw/zinc/10/99/94/195109994.db2.gz QAMDQVBKLSBJSW-UHFFFAOYSA-N 1 0 483.037 5.438 50 0 JKAARO COc1ccc2c(c1)c(CC(=O)N(C)C1CC[NH+](C(C)C)CC1)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000012766489 195113888 /nfs/dbraw/zinc/11/38/88/195113888.db2.gz KWLXYOCPWGVRJR-UHFFFAOYSA-N 1 0 496.051 5.174 50 0 JKAARO COc1ccc([C@H](CNC(=O)c2sc3nc(-c4ccco4)nc(C)c3c2C)[NH+]2CCCC2)cc1 ZINC000012766577 195114203 /nfs/dbraw/zinc/11/42/03/195114203.db2.gz GOTSRRURDJYPOW-FQEVSTJZSA-N 1 0 476.602 5.144 50 0 JKAARO CC[NH+](CC)CCCn1c(=O)c2ccccc2nc1S[C@H](C)C(=O)Nc1ccc(Cl)cc1F ZINC000012777055 195121745 /nfs/dbraw/zinc/12/17/45/195121745.db2.gz NLKZJYUPLLJQMR-MRXNPFEDSA-N 1 0 491.032 5.040 50 0 JKAARO CC(C)[NH+](CCn1c(=O)c2ccccc2nc1SCc1nnc(-c2ccccc2Cl)o1)C(C)C ZINC000012800860 195139028 /nfs/dbraw/zinc/13/90/28/195139028.db2.gz IVVAZEOWUCQSLA-UHFFFAOYSA-N 1 0 498.052 5.511 50 0 JKAARO COc1ccc(NC(=O)c2ccc(NC(=O)C[NH2+][C@@H](C)c3ccc4ccccc4c3)cc2)cc1 ZINC000012817323 195147617 /nfs/dbraw/zinc/14/76/17/195147617.db2.gz GVWQKZFVRLDTLT-IBGZPJMESA-N 1 0 453.542 5.390 50 0 JKAARO CCOC(=O)c1c(C)c(C(=O)Nc2ccc(C)cc2C)sc1NC(=O)C[N@H+](CC(C)C)C1CC1 ZINC000012898438 195176293 /nfs/dbraw/zinc/17/62/93/195176293.db2.gz NNOMRIRMCRPKQL-UHFFFAOYSA-N 1 0 485.650 5.161 50 0 JKAARO CCn1cc(CN(CCC[NH+](CC)CC)C(=S)Nc2ccc(OC)c(Cl)c2)c2ccccc21 ZINC000020676641 195201180 /nfs/dbraw/zinc/20/11/80/195201180.db2.gz MTHMIFWHNGSWJE-UHFFFAOYSA-N 1 0 487.113 6.254 50 0 JKAARO CCn1cc(CN(CCC[NH+](CC)CC)C(=S)Nc2cc(Cl)ccc2OC)c2ccccc21 ZINC000020676646 195201679 /nfs/dbraw/zinc/20/16/79/195201679.db2.gz SSZQAVXIILMCER-UHFFFAOYSA-N 1 0 487.113 6.254 50 0 JKAARO CCOc1ccc(-c2cc(C(=O)NCC3CC[NH+](Cc4ccc(C)cc4)CC3)c3ccccc3n2)cc1 ZINC000020682279 195204526 /nfs/dbraw/zinc/20/45/26/195204526.db2.gz KLRCRSXAIRAILK-UHFFFAOYSA-N 1 0 493.651 6.251 50 0 JKAARO C[C@@H]1CCC[N@H+](CCCNC(=O)c2cc(Sc3ccc(F)cc3F)nc3ccccc32)C1 ZINC000020723529 195206654 /nfs/dbraw/zinc/20/66/54/195206654.db2.gz FMSDSOJJYHVESQ-QGZVFWFLSA-N 1 0 455.574 5.516 50 0 JKAARO CC(C)C[NH+](CCCNC(=O)c1ccc(/C=C2/Sc3ccccc3NC2=O)cc1)CC(C)C ZINC000020728926 195209247 /nfs/dbraw/zinc/20/92/47/195209247.db2.gz ZZKBVWRDAPZXJL-PCLIKHOPSA-N 1 0 465.663 5.506 50 0 JKAARO CCCC[N@H+](C)CCCNC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1cccc(Cl)c1)S2 ZINC000020734995 195212044 /nfs/dbraw/zinc/21/20/44/195212044.db2.gz DZTNUMVOTJXUCP-PXLXIMEGSA-N 1 0 458.027 5.277 50 0 JKAARO C[C@H]1CCC[N@H+](CCCNC(=O)c2ccc3c(c2)NC(=O)/C(=C\c2cccc(Cl)c2)S3)C1 ZINC000020735019 195212133 /nfs/dbraw/zinc/21/21/33/195212133.db2.gz NGVBTBQIDMMGNZ-QIWJOQEQSA-N 1 0 470.038 5.277 50 0 JKAARO COc1cccc(/C=C2/Sc3ccc(C(=O)NCC[NH+](CC(C)C)CC(C)C)cc3NC2=O)c1 ZINC000020734378 195212202 /nfs/dbraw/zinc/21/22/02/195212202.db2.gz JVFXJKWDECTSQY-AFUMVMLFSA-N 1 0 481.662 5.124 50 0 JKAARO Cc1cccc(/C=C2/Sc3ccc(C(=O)NCCC[N@H+]4[C@H](C)CCC[C@@H]4C)cc3N(C)C2=O)c1 ZINC000020737440 195213606 /nfs/dbraw/zinc/21/36/06/195213606.db2.gz YEWYXWMDBOWRKU-YLQJXORZSA-N 1 0 477.674 5.487 50 0 JKAARO O=C(CN1CC[NH+](C2c3ccccc3-c3ccccc32)CC1)Nc1ccc(OCc2ccccc2)cc1 ZINC000020766704 195221984 /nfs/dbraw/zinc/22/19/84/195221984.db2.gz SMOZLPRVDQYNKP-UHFFFAOYSA-N 1 0 489.619 5.592 50 0 JKAARO CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCC[N@H+](C)C2CCCCC2)[C@@H]1c1cccs1 ZINC000020904415 195244620 /nfs/dbraw/zinc/24/46/20/195244620.db2.gz SYNPLCDQLKANTH-DQEYMECFSA-N 1 0 467.679 5.066 50 0 JKAARO Fc1cccc(-c2nnn3c2nc(N2CCC([NH+]4CCCCC4)CC2)c2cc(Cl)ccc23)c1 ZINC000020859699 195232972 /nfs/dbraw/zinc/23/29/72/195232972.db2.gz RCWDGOMOMRFMGK-UHFFFAOYSA-N 1 0 464.976 5.192 50 0 JKAARO CC[C@@H](C)[N@H+](CCNC(=O)CCN1c2ccccc2Sc2ncccc2C1=O)Cc1cccs1 ZINC000020864633 195234252 /nfs/dbraw/zinc/23/42/52/195234252.db2.gz CGJDPLAORQCNBU-LJQANCHMSA-N 1 0 494.686 5.062 50 0 JKAARO Clc1ccc(COc2ccc(C[NH2+]Cc3ccccc3Cl)cc2Br)cc1 ZINC000020876431 195236085 /nfs/dbraw/zinc/23/60/85/195236085.db2.gz XUOTYENVNWNYOR-UHFFFAOYSA-N 1 0 451.191 6.625 50 0 JKAARO CCCn1c(CN2CC[NH+](Cc3ccccc3)CC2)nc2cc(NC(=O)c3ccccc3C)ccc21 ZINC000020893110 195237924 /nfs/dbraw/zinc/23/79/24/195237924.db2.gz KRGAPUYECAIGGF-UHFFFAOYSA-N 1 0 481.644 5.325 50 0 JKAARO COc1cc(OC)c(NC(=O)c2cnn(-c3ccc(C(C)C)cc3)c2C2CC[NH2+]CC2)cc1Cl ZINC000020941306 195255484 /nfs/dbraw/zinc/25/54/84/195255484.db2.gz IETCDFUMLDQMEX-UHFFFAOYSA-N 1 0 483.012 5.386 50 0 JKAARO Cc1ccc(-n2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c2C2CC[NH2+]CC2)c(C)c1 ZINC000020941372 195255558 /nfs/dbraw/zinc/25/55/58/195255558.db2.gz YKYROAKPCWTFDG-UHFFFAOYSA-N 1 0 458.484 5.107 50 0 JKAARO CC(C)Cn1cc(NC(=O)NCCC[NH+]2CCC(Cc3ccccc3)CC2)c2ccccc2c1=O ZINC000020941483 195255596 /nfs/dbraw/zinc/25/55/96/195255596.db2.gz XDMWEJXQHOKEIF-UHFFFAOYSA-N 1 0 474.649 5.124 50 0 JKAARO Cc1c(Cl)cccc1-n1ncc(C(=O)Nc2ccc(OC(F)(F)F)cc2)c1C1CC[NH2+]CC1 ZINC000020941342 195255681 /nfs/dbraw/zinc/25/56/81/195255681.db2.gz NOZFWMLFSTVACX-UHFFFAOYSA-N 1 0 478.902 5.452 50 0 JKAARO Cc1ccc(C[N@H+]2CCc3nnc([C@@H](CC(C)C)NC(=O)c4cc(C)cc(C)c4)n3CC2)c(C)c1 ZINC000020999848 195265265 /nfs/dbraw/zinc/26/52/65/195265265.db2.gz JIKNNSLLYDACMS-AREMUKBSSA-N 1 0 473.665 5.087 50 0 JKAARO O=c1c2c(ncn1CCCc1ccccc1)sc1c2CC[C@H]([NH2+]Cc2cc(F)c(F)c(F)c2)C1 ZINC000020999147 195265333 /nfs/dbraw/zinc/26/53/33/195265333.db2.gz RXJBMMZMWAIDCN-SFHVURJKSA-N 1 0 483.559 5.155 50 0 JKAARO COc1ccc(-c2csc3ncnc(NCCC[N@@H+]4CCN(c5cccc(C)c5)[C@@H](C)C4)c23)cc1 ZINC000021049162 195272221 /nfs/dbraw/zinc/27/22/21/195272221.db2.gz OUIPRFGHLBINJG-NRFANRHFSA-N 1 0 487.673 5.688 50 0 JKAARO Cc1nn(-c2ccccc2)c2sc(C(=O)NCC3CC[NH+](Cc4cc(C)ccc4C)CC3)cc12 ZINC000021103639 195276760 /nfs/dbraw/zinc/27/67/60/195276760.db2.gz IFDCNNDQTUDBLF-UHFFFAOYSA-N 1 0 472.658 5.654 50 0 JKAARO Cc1nn(-c2ccccc2)c2sc(C(=O)NCC3CC[NH+](Cc4ccc(Cl)cc4)CC3)cc12 ZINC000021103630 195276791 /nfs/dbraw/zinc/27/67/91/195276791.db2.gz AGNISQUYNIUBRV-UHFFFAOYSA-N 1 0 479.049 5.691 50 0 JKAARO Cc1nn(-c2ccccc2)c2sc(C(=O)NCC3CC[NH+](Cc4ccccc4Cl)CC3)cc12 ZINC000021103643 195276910 /nfs/dbraw/zinc/27/69/10/195276910.db2.gz SUUGZFWKOCVTDM-UHFFFAOYSA-N 1 0 479.049 5.691 50 0 JKAARO Cc1ccc(Cn2c(C[NH+]3CCC(C(=O)NC4CCCCCC4)CC3)cc3ccccc32)cc1 ZINC000021116198 195278511 /nfs/dbraw/zinc/27/85/11/195278511.db2.gz IJOFZRDXPZCJAW-UHFFFAOYSA-N 1 0 457.662 6.049 50 0 JKAARO CCc1ccc(CNC(=O)C2CC[NH+](Cc3cc4ccccc4n3Cc3ccc(C)cc3)CC2)cc1 ZINC000021116359 195278924 /nfs/dbraw/zinc/27/89/24/195278924.db2.gz FTYNPXPXCXHRNZ-UHFFFAOYSA-N 1 0 479.668 6.089 50 0 JKAARO Cc1cc(N2CC[NH+](Cc3ccccc3)CC2)n2nc(C(F)(F)F)c(-c3ccc(Cl)cc3)c2n1 ZINC000021150364 195282489 /nfs/dbraw/zinc/28/24/89/195282489.db2.gz MVRXCIDNQVCBNO-UHFFFAOYSA-N 1 0 485.941 5.699 50 0 JKAARO Cc1ccc(-c2noc(CCC(=O)Nc3ccc(CCc4nc5ccccc5[nH]4)cc3)n2)cc1 ZINC000021152196 195283191 /nfs/dbraw/zinc/28/31/91/195283191.db2.gz AFUMPVFXYQKSOV-UHFFFAOYSA-N 1 0 451.530 5.278 50 0 JKAARO Cc1ccccc1Cn1c2ccccc2nc1N1CCC(C(=O)N2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000021163007 195288567 /nfs/dbraw/zinc/28/85/67/195288567.db2.gz GSSMQRLBYUJAPZ-UHFFFAOYSA-N 1 0 499.703 5.086 50 0 JKAARO CCc1cc2c(cc3n2C[C@@](C)(C(=O)NC2CCCCC2)N(CCC[N@@H+]2CCCC[C@@H]2C)C3=O)s1 ZINC000021526059 195304856 /nfs/dbraw/zinc/30/48/56/195304856.db2.gz YXSDNEDKHWKLFG-MMTVBGGISA-N 1 0 498.737 5.193 50 0 JKAARO CC(C)C[NH+](CCCN1C(=O)c2cc3occc3n2C[C@@]1(C)C(=O)NC1CCCCCC1)CC(C)C ZINC000021526706 195305128 /nfs/dbraw/zinc/30/51/28/195305128.db2.gz DEOGQDDIQHVEPC-LJAQVGFWSA-N 1 0 498.712 5.292 50 0 JKAARO Cc1nn2c(ncc(C(=O)NCCC[NH+]3CCC(Cc4ccccc4)CC3)c2C)c1-c1cccc(C)c1 ZINC000021914527 195331677 /nfs/dbraw/zinc/33/16/77/195331677.db2.gz QYSKAOPSBDBCPE-UHFFFAOYSA-N 1 0 495.671 5.396 50 0 JKAARO CC[N@H+](CCCNC(=O)c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2)Cc1ccccc1 ZINC000021915146 195331751 /nfs/dbraw/zinc/33/17/51/195331751.db2.gz PRIBYGSQJCLQRO-UHFFFAOYSA-N 1 0 484.644 5.165 50 0 JKAARO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1ccc(NC(=O)N2CCCCc3ccccc32)cc1 ZINC000021916096 195332341 /nfs/dbraw/zinc/33/23/41/195332341.db2.gz BONGVRGZCMDRFH-UHFFFAOYSA-N 1 0 482.628 5.240 50 0 JKAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(NC(=O)N2CCCCc3ccccc32)cc1 ZINC000021916021 195332347 /nfs/dbraw/zinc/33/23/47/195332347.db2.gz XGDWYHFXWFLFBT-UHFFFAOYSA-N 1 0 482.628 5.456 50 0 JKAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(NC(=O)N2CCCCc3ccccc32)cc1 ZINC000021916050 195332357 /nfs/dbraw/zinc/33/23/57/195332357.db2.gz PIOLVHCWQGJORN-RUZDIDTESA-N 1 0 462.638 5.446 50 0 JKAARO O=C(NCCC[N@@H+](Cc1cccs1)C[C@H]1CCCO1)c1cc(-c2cccnc2)nc2ccccc21 ZINC000021934671 195336011 /nfs/dbraw/zinc/33/60/11/195336011.db2.gz ACIXNUVWPHXOGD-JOCHJYFZSA-N 1 0 486.641 5.159 50 0 JKAARO Cc1ccc(C[N@@H+]2CC[C@H](CNC(=O)c3cc(-c4cccnc4)nc4ccc(C)cc43)C2)cc1 ZINC000021934850 195336148 /nfs/dbraw/zinc/33/61/48/195336148.db2.gz NMIFKSKAGQEEOI-HSZRJFAPSA-N 1 0 450.586 5.166 50 0 JKAARO c1ccc(Cc2nc3sc4c(c3c(N3CC[NH+](Cc5ccccc5)CC3)n2)CCCC4)cc1 ZINC000058119665 195365021 /nfs/dbraw/zinc/36/50/21/195365021.db2.gz YKVIZLIKYNJXRI-UHFFFAOYSA-N 1 0 454.643 5.483 50 0 JKAARO CCCCOc1ccc([C@](C)(O)[C@@H](C[NH+]2CCN(c3ccc(F)cc3)CC2)c2ccccc2)cc1 ZINC000058480185 195379938 /nfs/dbraw/zinc/37/99/38/195379938.db2.gz LYPBMNMXFVRGJH-KYJUHHDHSA-N 1 0 476.636 5.818 50 0 JKAARO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C ZINC000058166344 195369967 /nfs/dbraw/zinc/36/99/67/195369967.db2.gz CKIRMMLQYPNDRE-UHFFFAOYSA-N 1 0 475.618 5.382 50 0 JKAARO Cc1sc(CNC(=O)N(CC[NH+](C)C)Cc2ccccc2F)nc1-c1ccc(Cl)cc1 ZINC000058305642 195376723 /nfs/dbraw/zinc/37/67/23/195376723.db2.gz HSSLNPSXGMBTEN-UHFFFAOYSA-N 1 0 461.006 5.184 50 0 JKAARO Cc1noc(CSc2ccccc2C(=O)NCc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)n1 ZINC000059057854 195387058 /nfs/dbraw/zinc/38/70/58/195387058.db2.gz LZDVQSGVOZIZBP-OALUTQOASA-N 1 0 464.635 5.078 50 0 JKAARO Clc1ccc2c3nnc(-c4cccs4)n3c(N3CCC[N@H+](Cc4ccsc4)CC3)nc2c1 ZINC000096281476 130027415 /nfs/dbraw/zinc/02/74/15/130027415.db2.gz STEKPMYQAFISET-UHFFFAOYSA-N 1 0 481.050 5.433 50 0 JKAARO O=C(C[C@@H](c1cn(Cc2ccc(F)cc2)c2ccccc12)c1ccccc1F)NCC[NH+]1CCCC1 ZINC000096287521 130030869 /nfs/dbraw/zinc/03/08/69/130030869.db2.gz FJHLEQMHUBFNLH-AREMUKBSSA-N 1 0 487.594 5.702 50 0 JKAARO CC(=O)c1ccc(-c2ccc3nc(-c4ccccc4)c(CCC(=O)NCC[NH+]4CCCC4)n3c2)cc1 ZINC000096294118 130048913 /nfs/dbraw/zinc/04/89/13/130048913.db2.gz PKTMPRTVNDUVCC-UHFFFAOYSA-N 1 0 480.612 5.016 50 0 JKAARO C(=C/c1ccccc1)\C[C@@H](/C=C/c1ccccc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000044831321 518372713 /nfs/dbraw/zinc/37/27/13/518372713.db2.gz FFKBIJDNNHKVGD-CBJMUCKKSA-N 1 0 484.687 7.579 50 0 in-vitro JKAARO C1=[N+](c2c3ccccc3ccc2C2CCCCC2)CCN1c1c2ccccc2ccc1C1CCCCC1 ZINC000086033054 518578715 /nfs/dbraw/zinc/57/87/15/518578715.db2.gz PYEMDUXCDVVCEN-UHFFFAOYSA-N 1 0 487.711 9.281 50 0 JKAARO CC(C)(C)OC[C@H](O)C[N@@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000036146386 518879681 /nfs/dbraw/zinc/87/96/81/518879681.db2.gz QSKXJZAHXPBEIM-UXHICEINSA-N 1 0 499.866 5.818 50 0 JKAARO CC(C)(C)OC[C@@H](O)C[N@@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccccc2Cl)=NO1 ZINC000036146046 518880194 /nfs/dbraw/zinc/88/01/94/518880194.db2.gz PAGVNWUHZGQOLH-PMACEKPBSA-N 1 0 465.421 5.165 50 0 JKAARO CC(C)(C)c1cc(C2=NC(=C3C=C(C(C)(C)C)SC(C(C)(C)C)=C3)C=C2)cc(C(C)(C)C)[s+]1 ZINC000025557772 518996169 /nfs/dbraw/zinc/99/61/69/518996169.db2.gz MDINFNYOMDXHEH-UHFFFAOYSA-N 1 0 480.807 9.844 50 0 JKAARO CC(C)C[C@]1(C2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)NC(=O)N(CCc2cccs2)C1=O ZINC000012244518 519425114 /nfs/dbraw/zinc/42/51/14/519425114.db2.gz NXILICFVSBOQGV-HHHXNRCGSA-N 1 0 478.662 5.021 50 0 JKAARO CC(C)Cc1ccc(C[NH+]2CCC(n3nccc3NC(=O)c3ccccc3Cl)CC2)cc1 ZINC000012297428 519436128 /nfs/dbraw/zinc/43/61/28/519436128.db2.gz MBBDMGDCWNOQLZ-UHFFFAOYSA-N 1 0 451.014 5.824 50 0 JKAARO CC(C)C(=O)N(CC[NH+]1CCCCC1)Cc1csc(COc2cc(Cl)ccc2Cl)n1 ZINC000036124407 519452035 /nfs/dbraw/zinc/45/20/35/519452035.db2.gz ZGGINCDJLDMICG-UHFFFAOYSA-N 1 0 470.466 5.499 50 0 JKAARO CC(C)[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@@H](O)Cc1ccccc1 ZINC000036307564 519653265 /nfs/dbraw/zinc/65/32/65/519653265.db2.gz PTEGRSZNICCTQZ-VWLOTQADSA-N 1 0 473.592 5.833 50 0 JKAARO CC(C)[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccc4ccccc4c3)=NN12 ZINC000013596296 519674144 /nfs/dbraw/zinc/67/41/44/519674144.db2.gz OSSRYHHLOGNMOO-VWLOTQADSA-N 1 0 490.445 6.346 50 0 JKAARO CC(C)[N@@H+]1CCc2c(sc(NC(=O)c3c(F)cccc3F)c2-c2nc3ccccc3s2)C1 ZINC000023153852 519690680 /nfs/dbraw/zinc/69/06/80/519690680.db2.gz KQKRBTPTNHJYOK-UHFFFAOYSA-N 1 0 469.582 6.322 50 0 JKAARO CC(=O)Nc1ccc(-c2cc(C(=O)NCCC[N@H+]3CCCC[C@@H]3C)c3cc(C)ccc3n2)cc1 ZINC000033106397 519708035 /nfs/dbraw/zinc/70/80/35/519708035.db2.gz BGOLXVFKNWVOOP-FQEVSTJZSA-N 1 0 458.606 5.163 50 0 JKAARO CC(=O)Nc1ccc(-c2cc(C(=O)NCCC[N@H+]3CCCC[C@H]3C)c3cc(C)ccc3n2)cc1 ZINC000033106396 519708100 /nfs/dbraw/zinc/70/81/00/519708100.db2.gz BGOLXVFKNWVOOP-HXUWFJFHSA-N 1 0 458.606 5.163 50 0 JKAARO CC(C)NC(=O)[C@@H]1C[C@@H]([NH2+]C2C3CC4CC(C3)CC2C4)CN1CC(c1ccccc1)c1ccccc1 ZINC000020450252 519714824 /nfs/dbraw/zinc/71/48/24/519714824.db2.gz FNXJTAGLQMLLFH-KUVCJWPBSA-N 1 0 485.716 5.200 50 0 JKAARO CC(C)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)C[C@H](O)Cc1ccccc1 ZINC000036306639 519717687 /nfs/dbraw/zinc/71/76/87/519717687.db2.gz UOSYJSWEXGGFEL-RUZDIDTESA-N 1 0 487.619 6.080 50 0 JKAARO CC(C)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@H](O)Cc1ccccc1 ZINC000036307373 519717856 /nfs/dbraw/zinc/71/78/56/519717856.db2.gz KZKWVNBHGDDOKI-AREMUKBSSA-N 1 0 487.619 6.080 50 0 JKAARO CC(C)C[N@H+](Cc1ccc(C(O)(c2cccc(F)c2)c2cccc(F)c2)o1)Cc1ccccc1F ZINC000036167895 519718099 /nfs/dbraw/zinc/71/80/99/519718099.db2.gz ICLKHCXQJYCJLF-UHFFFAOYSA-N 1 0 479.542 6.639 50 0 JKAARO CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)N2CC[NH+](C3CCCCC3)CC2)[C@H]1c1cccs1 ZINC000020508429 519719886 /nfs/dbraw/zinc/71/98/86/519719886.db2.gz MQEHXQLGHLSHHE-CLJLJLNGSA-N 1 0 479.690 5.162 50 0 JKAARO CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)N2CC[NH+](C3CCCCC3)CC2)[C@@H]1c1cccs1 ZINC000020508421 519719901 /nfs/dbraw/zinc/71/99/01/519719901.db2.gz MQEHXQLGHLSHHE-UIOOFZCWSA-N 1 0 479.690 5.162 50 0 JKAARO CC(C)COC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)CC1CC1 ZINC000036307783 519755626 /nfs/dbraw/zinc/75/56/26/519755626.db2.gz YRQIMALHHZBBAS-DEOSSOPVSA-N 1 0 481.612 5.264 50 0 JKAARO CC(C)COC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)CC(C)C ZINC000036307379 519756034 /nfs/dbraw/zinc/75/60/34/519756034.db2.gz IBWSLOAYTNGLTJ-DEOSSOPVSA-N 1 0 483.628 5.510 50 0 JKAARO CC(C)COC[C@H](O)C[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000036146372 519757535 /nfs/dbraw/zinc/75/75/35/519757535.db2.gz CURVSYVAOPJFFZ-RTWAWAEBSA-N 1 0 483.411 5.161 50 0 JKAARO CC(C)OC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)CC1CC1 ZINC000036307762 519771792 /nfs/dbraw/zinc/77/17/92/519771792.db2.gz RXCBWIUELHZMHR-QHCPKHFHSA-N 1 0 467.585 5.016 50 0 JKAARO CC(C)OC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)CC1CC1 ZINC000036307760 519773684 /nfs/dbraw/zinc/77/36/84/519773684.db2.gz RXCBWIUELHZMHR-HSZRJFAPSA-N 1 0 467.585 5.016 50 0 JKAARO CC(C)OC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C(C)C ZINC000036307042 519773812 /nfs/dbraw/zinc/77/38/12/519773812.db2.gz AVPFPVFSERAOCT-JOCHJYFZSA-N 1 0 455.574 5.015 50 0 JKAARO CC(C)OC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)CC1CC1 ZINC000036305030 519773859 /nfs/dbraw/zinc/77/38/59/519773859.db2.gz XMAYCUHXQNHAFF-JOCHJYFZSA-N 1 0 484.040 5.531 50 0 JKAARO CC(C)Oc1ccc(C(=O)N2CCC([C@@H](Cc3ccccc3)[N@H+](C)Cc3cccnc3)CC2)cc1 ZINC000014882678 519778595 /nfs/dbraw/zinc/77/85/95/519778595.db2.gz VCWRAVCVBMIYRP-GDLZYMKVSA-N 1 0 471.645 5.464 50 0 JKAARO CC(C)[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)CC1CC1 ZINC000036305037 519800700 /nfs/dbraw/zinc/80/07/00/519800700.db2.gz BURDVNBHXZFZSC-QHCPKHFHSA-N 1 0 454.014 5.762 50 0 JKAARO CC(C)c1ccc(NC(=O)CSC2=NC3(CC[NH+](C)CC3)N=C2c2ccc(C(C)(C)C)cc2)cc1 ZINC000045912732 519836972 /nfs/dbraw/zinc/83/69/72/519836972.db2.gz CLHGVIWYZGQWKP-UHFFFAOYSA-N 1 0 490.717 6.103 50 0 JKAARO CCC[NH+]1CCC(N(C(=O)c2ccc(NC(=O)Nc3ccc(F)cc3F)cc2)C2CC2)CC1 ZINC000016080112 519843200 /nfs/dbraw/zinc/84/32/00/519843200.db2.gz YUAWSHHDDXNKJO-UHFFFAOYSA-N 1 0 456.537 5.088 50 0 JKAARO CCOC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(Cl)cc1)CC1CC1 ZINC000036305255 520090687 /nfs/dbraw/zinc/09/06/87/520090687.db2.gz MVXLVAFAQMGBGU-QFIPXVFZSA-N 1 0 470.013 5.142 50 0 JKAARO CCOC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1Cl)CC1CC1 ZINC000036303623 520094421 /nfs/dbraw/zinc/09/44/21/520094421.db2.gz QWSPFBBMRKYRNE-QFIPXVFZSA-N 1 0 470.013 5.236 50 0 JKAARO CCOC[C@@H](O)C[N@@H+](Cc1c(C(C)C)nn(-c2ccccc2)c1Oc1cccc(F)c1)CC1CC1 ZINC000036308046 520094965 /nfs/dbraw/zinc/09/49/65/520094965.db2.gz HQADRNFZNUNRTB-DEOSSOPVSA-N 1 0 481.612 5.537 50 0 JKAARO CCCCCC[C@@](O)(c1ccc(OCCCC)cc1)[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000020443774 520123420 /nfs/dbraw/zinc/12/34/20/520123420.db2.gz NAOPZZWVQAHYKF-URLMMPGGSA-N 1 0 453.667 6.140 50 0 JKAARO CCCCCC[C@@](O)(c1ccc(Br)cc1)[C@@H](C[NH2+]CCCCO)c1ccccc1 ZINC000013497206 520123938 /nfs/dbraw/zinc/12/39/38/520123938.db2.gz YMKLQAMJYGSGIO-LOSJGSFVSA-N 1 0 462.472 5.753 50 0 JKAARO CCOC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)CC1CC1 ZINC000036305066 520153948 /nfs/dbraw/zinc/15/39/48/520153948.db2.gz OXDQOFUIEBSBMZ-OAQYLSRUSA-N 1 0 470.013 5.142 50 0 JKAARO CC1(C)CCC[C@H]([NH+]2CCC3(CC2)C(=O)N(CCCc2cccnc2)C(=O)N3Cc2ccccc2)C1 ZINC000014740739 520355339 /nfs/dbraw/zinc/35/53/39/520355339.db2.gz WFQRUULKXRRKPR-SANMLTNESA-N 1 0 488.676 5.282 50 0 JKAARO CCCC[N@H+](C)Cc1ccc2c(n1)sc(C(=O)OC)c2NC(=O)c1c(F)cccc1Cl ZINC000014986120 520421682 /nfs/dbraw/zinc/42/16/82/520421682.db2.gz DZMNNIOQXYJERW-UHFFFAOYSA-N 1 0 463.962 5.360 50 0 JKAARO CC[NH+](CC)CCCNC(=O)CCc1cc2c(n1-c1ccc(C)cc1F)-c1ccccc1OC2 ZINC000023440129 520612466 /nfs/dbraw/zinc/61/24/66/520612466.db2.gz YEZIDUWTUIOSKM-UHFFFAOYSA-N 1 0 463.597 5.265 50 0 JKAARO CC[NH+](CC)CCCNC(=O)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCCC2)o1 ZINC000065055037 520617787 /nfs/dbraw/zinc/61/77/87/520617787.db2.gz HLGKNVRABVZWTC-UHFFFAOYSA-N 1 0 466.601 5.916 50 0 JKAARO CC[NH+](CC)CCCNC(=O)c1ccc(Oc2nccnc2Sc2ccc(Cl)cc2)cc1 ZINC000033139870 520619896 /nfs/dbraw/zinc/61/98/96/520619896.db2.gz UJKHWWSKICKGIN-UHFFFAOYSA-N 1 0 471.026 5.535 50 0 JKAARO CC[NH+](CC)CCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@H]1c1ccc(SC)cc1 ZINC000016345689 520661680 /nfs/dbraw/zinc/66/16/80/520661680.db2.gz NOWVQQPHUNGIEO-OAQYLSRUSA-N 1 0 456.995 5.055 50 0 JKAARO CCOc1cc(C[NH2+]C2CCCCC2)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000016688536 520708458 /nfs/dbraw/zinc/70/84/58/520708458.db2.gz CCFXUMNENHOAOY-UHFFFAOYSA-N 1 0 487.265 7.156 50 0 JKAARO CCOc1cc(C[NH2+]C2CCCC2)cc(I)c1OCc1ccccc1 ZINC000002884509 520708652 /nfs/dbraw/zinc/70/86/52/520708652.db2.gz KNPQNFWCSQBVHD-UHFFFAOYSA-N 1 0 451.348 5.301 50 0 JKAARO CC[NH+](CC)C[C@@H](O)Cn1c2ccc(Br)cc2c2cc(Br)ccc21 ZINC000000626494 520722450 /nfs/dbraw/zinc/72/24/50/520722450.db2.gz AHLOLDXAJANKQP-OAHLLOKOSA-N 1 0 454.206 5.022 50 0 JKAARO CCOc1cc(C[NH2+][C@H]2CCCc3c2cnn3CCO)ccc1OCc1c(Cl)cccc1Cl ZINC000048275579 520730135 /nfs/dbraw/zinc/73/01/35/520730135.db2.gz OKYMKBBMVDUABA-QFIPXVFZSA-N 1 0 490.431 5.327 50 0 JKAARO CC[NH+](CC)[C@H](CNC(=O)c1cc(-c2ccc3c(c2)OCCO3)on1)c1ccc(C(C)C)cc1 ZINC000021807557 520867171 /nfs/dbraw/zinc/86/71/71/520867171.db2.gz OHBBRVSRHSZUOY-HSZRJFAPSA-N 1 0 463.578 5.049 50 0 JKAARO CCCCOc1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCC[NH+](C)C)cc1OCC ZINC000016752939 520897556 /nfs/dbraw/zinc/89/75/56/520897556.db2.gz JRKAGMNHFZCKME-RUZDIDTESA-N 1 0 496.579 5.007 50 0 JKAARO CCN(CC)c1onc(-c2ccccc2)c1CN(CC[NH+](C)C)C(=O)c1ccc(Cl)cc1 ZINC000036249517 520936364 /nfs/dbraw/zinc/93/63/64/520936364.db2.gz LYRCEOSXIMFSBP-UHFFFAOYSA-N 1 0 455.002 5.045 50 0 JKAARO CCC(=O)Nc1ccc(-c2cc(C(=O)N3CC[NH+](C4CCCCC4)CC3)c3ccccc3n2)cc1 ZINC000033106252 521198574 /nfs/dbraw/zinc/19/85/74/521198574.db2.gz WXKYHJYWLGGDLF-UHFFFAOYSA-N 1 0 470.617 5.341 50 0 JKAARO CCOc1ccc([C@@H](c2c3c(sc2NC(=O)c2ccco2)CCCC3)[NH+]2CCCCC2)cc1 ZINC000038546130 521231694 /nfs/dbraw/zinc/23/16/94/521231694.db2.gz UHAHRTSKWODUTL-VWLOTQADSA-N 1 0 464.631 6.446 50 0 JKAARO CCCCn1c(C)c(C)nc1SCC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000069525575 521358811 /nfs/dbraw/zinc/35/88/11/521358811.db2.gz BNZSBNBZJZFRPF-UHFFFAOYSA-N 1 0 491.705 5.353 50 0 JKAARO CCC(C)(C)c1ccc(OCCCCCC[NH+]2CCN(c3ccc(C)c(Cl)c3)CC2)cc1 ZINC000004217531 521370411 /nfs/dbraw/zinc/37/04/11/521370411.db2.gz LRQIJOWDNRNLDY-UHFFFAOYSA-N 1 0 457.102 7.097 50 0 in-man JKAARO CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC[C@H](O)C[NH2+]C3CCCCC3)cc21 ZINC000006144609 521394510 /nfs/dbraw/zinc/39/45/10/521394510.db2.gz DFWGRTKYMKXIMY-HSZRJFAPSA-N 1 0 464.606 5.086 50 0 JKAARO CCOC(=O)c1c(NC(=S)NC2CC[NH+](Cc3ccccc3)CC2)sc(C)c1-c1ccccc1 ZINC000016345504 521412175 /nfs/dbraw/zinc/41/21/75/521412175.db2.gz XTETUPUWAPAZBM-UHFFFAOYSA-N 1 0 493.698 5.851 50 0 JKAARO CCOc1ccccc1C[NH+]1CCC(c2nnc(SC[C@H]3CCCO3)n2Cc2ccccc2)CC1 ZINC000014990812 521484080 /nfs/dbraw/zinc/48/40/80/521484080.db2.gz FVEKKMTXPZWANJ-RUZDIDTESA-N 1 0 492.689 5.376 50 0 JKAARO CCOC(=O)c1cnc(-c2cccc(C(F)(F)F)c2)nc1N[C@@H](C)CCC[NH+](CC)CC ZINC000022670308 521567871 /nfs/dbraw/zinc/56/78/71/521567871.db2.gz ZMQMSERBTWXKBQ-INIZCTEOSA-N 1 0 452.521 5.262 50 0 JKAARO CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccc(F)c(Cl)c1)C(c1ccc(C)cc1)=N2 ZINC000045994791 521585340 /nfs/dbraw/zinc/58/53/40/521585340.db2.gz YBBHHAWSTSKGLZ-UHFFFAOYSA-N 1 0 473.017 5.173 50 0 JKAARO CCCn1c(CN2CC[NH+](Cc3ccccc3)CC2)nc2cc(NC(=O)c3cccs3)ccc21 ZINC000022804482 521629460 /nfs/dbraw/zinc/62/94/60/521629460.db2.gz GEGXMDJGWAOWQN-UHFFFAOYSA-N 1 0 473.646 5.078 50 0 JKAARO CCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C[C@H](O)COCC(C)C ZINC000036307182 521678252 /nfs/dbraw/zinc/67/82/52/521678252.db2.gz OYPUJZAOAULUDF-QHCPKHFHSA-N 1 0 469.601 5.264 50 0 JKAARO CCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@H](O)COCC(C)C ZINC000036308250 521678333 /nfs/dbraw/zinc/67/83/33/521678333.db2.gz LRDAZXLAFSAIQO-QHCPKHFHSA-N 1 0 451.611 5.125 50 0 JKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)C[C@@H](O)COCC(C)C ZINC000036308530 521679124 /nfs/dbraw/zinc/67/91/24/521679124.db2.gz XGARHMALFVQBGI-XMMPIXPASA-N 1 0 451.611 5.219 50 0 JKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)C[C@@H](O)COC(C)(C)C ZINC000036308552 521679213 /nfs/dbraw/zinc/67/92/13/521679213.db2.gz VEGMDYDQFIDDNV-HSZRJFAPSA-N 1 0 451.611 5.361 50 0 JKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccc(Cl)cc2)c1Oc1ccccc1OC)C[C@H](O)CC ZINC000036301869 521679612 /nfs/dbraw/zinc/67/96/12/521679612.db2.gz GVMFPSODNFGYMC-OAQYLSRUSA-N 1 0 458.002 5.618 50 0 JKAARO CCC[N@H+](Cc1ccc(C(O)(c2cccc(F)c2)c2cccc(F)c2)o1)Cc1ccc(C)s1 ZINC000036154609 521682392 /nfs/dbraw/zinc/68/23/92/521682392.db2.gz ZHUQBRVLRKBQKS-UHFFFAOYSA-N 1 0 467.581 6.624 50 0 JKAARO CCC[N@H+](Cc1ccc(C(O)(c2cccc(F)c2)c2cccc(F)c2)o1)Cc1cccn1C ZINC000036154692 521682991 /nfs/dbraw/zinc/68/29/91/521682991.db2.gz BJZJUXCHUMDLFT-UHFFFAOYSA-N 1 0 450.529 5.593 50 0 JKAARO CCC[N@@H+](Cc1ccsc1)Cc1ccc(C(O)(c2ccc(OC)cc2)c2ccc(OC)cc2)o1 ZINC000036202921 521692213 /nfs/dbraw/zinc/69/22/13/521692213.db2.gz JZWWYELUMHOTDW-UHFFFAOYSA-N 1 0 477.626 6.055 50 0 JKAARO CC[NH+]1CCN(c2cc(C)c3cc(NC(=S)N[C@H]4CCCc5ccccc54)ccc3n2)CC1 ZINC000020153647 521696609 /nfs/dbraw/zinc/69/66/09/521696609.db2.gz HBUMPMJNLBRUCT-DEOSSOPVSA-N 1 0 459.663 5.049 50 0 JKAARO CC[NH+]1CCN(c2ncnc3c2c(-c2ccccc2)cn3-c2cccc(C(F)(F)F)c2)CC1 ZINC000016712870 521702097 /nfs/dbraw/zinc/70/20/97/521702097.db2.gz AZBSYCGSABMWNP-UHFFFAOYSA-N 1 0 451.496 5.248 50 0 JKAARO CCOCCCNC(=O)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1 ZINC000046055532 521710205 /nfs/dbraw/zinc/71/02/05/521710205.db2.gz BIKWKCLCPLVMMO-UHFFFAOYSA-N 1 0 468.041 5.098 50 0 JKAARO CN(c1onc(-c2ccccc2)c1CN(CC[NH+](C)C)C(=O)c1ccccc1)C1CCCCC1 ZINC000036249558 521749400 /nfs/dbraw/zinc/74/94/00/521749400.db2.gz QANSMPGOOWMDKE-UHFFFAOYSA-N 1 0 460.622 5.315 50 0 JKAARO C[NH+](C)CCN(Cc1csc(COc2cc(Cl)ccc2Cl)n1)C(=O)C1CCCC1 ZINC000036124496 521752243 /nfs/dbraw/zinc/75/22/43/521752243.db2.gz RJKSBANYLQHHNA-UHFFFAOYSA-N 1 0 456.439 5.109 50 0 JKAARO COC(=O)c1c(NCC2CC[NH+](Cc3cc(C)ccc3C)CC2)onc1-c1ccc(Cl)cc1 ZINC000046914227 521774020 /nfs/dbraw/zinc/77/40/20/521774020.db2.gz ODAIBSMKTMUXJD-UHFFFAOYSA-N 1 0 467.997 5.723 50 0 JKAARO CCc1ccccc1NC(=O)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccccc2Cl)CC1 ZINC000046055693 521859556 /nfs/dbraw/zinc/85/95/56/521859556.db2.gz LIDUKDXAUOCBMC-UHFFFAOYSA-N 1 0 486.059 6.756 50 0 JKAARO COC(=O)c1ccc(C[NH+]2CCC([C@H](Cc3ccccc3F)N(C)C(=O)c3cccs3)CC2)cc1 ZINC000014980911 522007478 /nfs/dbraw/zinc/00/74/78/522007478.db2.gz PNRBAWGMSCBBIV-VWLOTQADSA-N 1 0 494.632 5.269 50 0 JKAARO CC[C@@H](C)[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)C[C@H](O)COC(C)C ZINC000036305778 522096523 /nfs/dbraw/zinc/09/65/23/522096523.db2.gz GHOZMXCRSLJGNI-GGAORHGYSA-N 1 0 481.637 5.274 50 0 JKAARO CC[C@H](CO)[NH2+]C[C@H](O)Cn1c(-c2ccccc2)c(-c2ccccc2)c2ccc3ccccc3c21 ZINC000012437246 522227609 /nfs/dbraw/zinc/22/76/09/522227609.db2.gz SZVATVYGKIYYSJ-FTJBHMTQSA-N 1 0 464.609 5.850 50 0 JKAARO COc1cc(C[NH+]2CCC([C@@H](Cc3ccccc3)N(C)C(=O)c3cccs3)CC2)cc(OC)c1O ZINC000014887477 522370055 /nfs/dbraw/zinc/37/00/55/522370055.db2.gz FGKQTFBSVGHUPQ-HSZRJFAPSA-N 1 0 494.657 5.066 50 0 JKAARO COc1cc(C[NH+]2CCC3(C[C@H]3C(=O)NCCCc3ccccc3)CC2)ccc1OCc1ccccc1 ZINC000012245742 522372857 /nfs/dbraw/zinc/37/28/57/522372857.db2.gz MREFPRCLKAFBRF-NDEPHWFRSA-N 1 0 498.667 5.625 50 0 JKAARO COC(=O)c1sc2nc(C[NH+]3CCC(c4ccccc4)CC3)ccc2c1NC(=O)C(C)C ZINC000014883854 522434713 /nfs/dbraw/zinc/43/47/13/522434713.db2.gz GIVMIHDBAHRDBI-UHFFFAOYSA-N 1 0 451.592 5.057 50 0 JKAARO COc1cc(C[NH2+]C[C@]2(C)CCC[C@@]3(C)c4ccc(C(C)C)cc4CC[C@@H]23)cc(OC)c1OC ZINC000035110785 522460876 /nfs/dbraw/zinc/46/08/76/522460876.db2.gz MPWSUTJLNFWPHG-BKHJTQGXSA-N 1 0 465.678 6.636 50 0 JKAARO COc1cc(C[NH2+][C@H](C)c2ccccc2)cc(Br)c1OCc1ccccc1Cl ZINC000002177979 522484623 /nfs/dbraw/zinc/48/46/23/522484623.db2.gz GBNFXGVUSNPSHS-MRXNPFEDSA-N 1 0 460.799 6.541 50 0 JKAARO CCc1nn(-c2ccc(F)cc2)c(Oc2ccccc2)c1C[N@H+](C[C@H](O)COCC(C)C)C(C)C ZINC000036303444 522637131 /nfs/dbraw/zinc/63/71/31/522637131.db2.gz KUTQPRLNFPHPBM-DEOSSOPVSA-N 1 0 483.628 5.610 50 0 JKAARO CCc1nn(-c2ccccc2)c(Oc2cccc(OC)c2)c1C[N@H+](C[C@@H](O)C(C)C)CC1CC1 ZINC000036302628 522638337 /nfs/dbraw/zinc/63/83/37/522638337.db2.gz DKTMPLZKEFXCRI-HHHXNRCGSA-N 1 0 463.622 5.465 50 0 JKAARO CCc1nn(-c2ccccc2)c(Oc2cccc(OC)c2)c1C[N@H+](C[C@@H](O)Cc1ccccc1)C1CC1 ZINC000036302588 522638744 /nfs/dbraw/zinc/63/87/44/522638744.db2.gz ZLCJMLSZTLSDEG-SANMLTNESA-N 1 0 497.639 5.804 50 0 JKAARO CCc1nn(-c2ccccc2)c(Oc2ccccc2OC)c1C[N@H+](C[C@H](O)COC(C)C)CC1CC1 ZINC000036302831 522642579 /nfs/dbraw/zinc/64/25/79/522642579.db2.gz SDVNBPKUFBRMGC-DEOSSOPVSA-N 1 0 493.648 5.234 50 0 JKAARO C[N@H+](CCNC(=O)c1cccc([C@H]2CCCN(C(=O)Nc3ccc(Cl)cc3)C2)c1)C1CCCCC1 ZINC000033035499 522859675 /nfs/dbraw/zinc/85/96/75/522859675.db2.gz BWVWYFNRYHRPGH-QHCPKHFHSA-N 1 0 497.083 5.746 50 0 JKAARO C[N@H+](CCNC(=O)c1cccc([C@@H]2CCCN(C(=O)Nc3ccccc3)C2)c1)C1CCCCC1 ZINC000033035816 522860238 /nfs/dbraw/zinc/86/02/38/522860238.db2.gz YUIXDQBZWNDCOJ-XMMPIXPASA-N 1 0 462.638 5.092 50 0 JKAARO C[N@H+](CCc1ccccc1)Cc1cccc(OC2CCN(C(=O)c3ccc4ccccc4n3)CC2)c1 ZINC000012281089 522954161 /nfs/dbraw/zinc/95/41/61/522954161.db2.gz QBXZCCPEIMMSFF-UHFFFAOYSA-N 1 0 479.624 5.593 50 0 JKAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(NC(=O)N2CCSc3nc(C)cc(C)c32)cc1 ZINC000021880348 523018969 /nfs/dbraw/zinc/01/89/69/523018969.db2.gz SLRFUNOLJGJQLP-QHCPKHFHSA-N 1 0 495.693 5.227 50 0 JKAARO CC[C@H]1CCCC[N@@H+]1CCCN1C(=O)c2cc3sccc3n2C[C@@]1(C)C(=O)NC1CCCCCC1 ZINC000021809870 523019752 /nfs/dbraw/zinc/01/97/52/523019752.db2.gz ZTUJHODJTRLSFY-DWACAAAGSA-N 1 0 498.737 5.411 50 0 JKAARO COc1cc2c(cc1OC)C(/C=C1/SC(C(=O)c3ccccc3)=NN1c1ccc(C)cc1)=[NH+]CC2 ZINC000036055688 523021717 /nfs/dbraw/zinc/02/17/17/523021717.db2.gz MDIIUYYLFREESR-YZSQISJMSA-N 1 0 483.593 5.649 50 0 JKAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)Nc1ccc2c(c1)N(Cc1ccc(C)cc1)C(=O)CS2 ZINC000020385936 523166758 /nfs/dbraw/zinc/16/67/58/523166758.db2.gz AGAMCOPGRKOWGH-HSZRJFAPSA-N 1 0 480.678 5.410 50 0 JKAARO CC[C@@H]1CCCC[N@@H+]1CCCN1C(=O)c2cc3sccc3n2C[C@@]1(C)C(=O)NC1CCCCC1 ZINC000033331654 523167827 /nfs/dbraw/zinc/16/78/27/523167827.db2.gz JWSSTHRYHWQYHS-ZBLYBZFDSA-N 1 0 484.710 5.021 50 0 JKAARO COc1ccc(-c2csc3[nH]c(C[N@H+](C[C@@H](O)c4ccccc4)C4CCCCC4)nc(=O)c23)cc1 ZINC000036206303 523174261 /nfs/dbraw/zinc/17/42/61/523174261.db2.gz KJYJXVJSKPMXML-XMMPIXPASA-N 1 0 489.641 5.529 50 0 JKAARO COCCC[N@H+](Cc1ccc(C(O)(c2cccc(F)c2)c2cccc(F)c2)o1)Cc1ccc(C)cc1 ZINC000036202848 523263572 /nfs/dbraw/zinc/26/35/72/523263572.db2.gz FJKKPANGWSJVAU-UHFFFAOYSA-N 1 0 491.578 6.189 50 0 JKAARO COCCC[N@H+](Cc1ccc(C(O)(c2cccs2)c2cccs2)o1)Cc1cccc(C)c1 ZINC000036203485 523264618 /nfs/dbraw/zinc/26/46/18/523264618.db2.gz OEKJSCCGUUVNDP-UHFFFAOYSA-N 1 0 467.656 6.034 50 0 JKAARO C[N@H+](Cc1ccc(OCC[C@H]2CCCCN2C(=O)C2CCCCC2)cc1)Cc1cccc2ncccc12 ZINC000012245266 523274772 /nfs/dbraw/zinc/27/47/72/523274772.db2.gz MWUQCTLNOXGFHA-MUUNZHRXSA-N 1 0 499.699 6.597 50 0 JKAARO COCCCN1C(=O)N(Cc2ccc3ccccc3c2)C(=O)C12CC[NH+](CCCc1ccccc1)CC2 ZINC000014536875 523290136 /nfs/dbraw/zinc/29/01/36/523290136.db2.gz QWXACSQYEOUPBB-UHFFFAOYSA-N 1 0 499.655 5.108 50 0 JKAARO COc1ccc(-n2nnnc2C2([NH2+]CCc3c(C)[nH]c4c3ccc(Cl)c4Cl)CCCCC2)cc1 ZINC000019848553 523356163 /nfs/dbraw/zinc/35/61/63/523356163.db2.gz ANPWICHYOCKEHM-UHFFFAOYSA-N 1 0 499.446 5.759 50 0 JKAARO CN(Cc1cscn1)C(=O)[C@@H]1CC12CC[NH+](Cc1cn(-c3ccccc3)nc1-c1ccccc1)CC2 ZINC000014882168 523534565 /nfs/dbraw/zinc/53/45/65/523534565.db2.gz BXHOKFLLCOIQPW-SANMLTNESA-N 1 0 497.668 5.257 50 0 JKAARO CCn1nc(C)c(C[NH+]2CCC([C@@H](Cc3ccccc3Cl)N(C)C(=O)c3ccco3)CC2)c1C ZINC000014978714 523641415 /nfs/dbraw/zinc/64/14/15/523641415.db2.gz AEVDEMNGPTXRQF-RUZDIDTESA-N 1 0 483.056 5.362 50 0 JKAARO CCc1c(C(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)c(=O)cc(C)n1CC[NH+]1CCCCC1 ZINC000014996246 523698779 /nfs/dbraw/zinc/69/87/79/523698779.db2.gz MVZKTHPGDISULQ-NDEPHWFRSA-N 1 0 492.063 5.378 50 0 JKAARO CCc1c(C(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)c(=O)cc(C)n1CC[NH+]1CCCCC1 ZINC000014996248 523701548 /nfs/dbraw/zinc/70/15/48/523701548.db2.gz MVZKTHPGDISULQ-MUUNZHRXSA-N 1 0 492.063 5.378 50 0 JKAARO COCC[N@H+](Cc1ccc(C(O)(c2cccc(F)c2)c2cccc(F)c2)o1)Cc1ccccc1C ZINC000036203156 523746331 /nfs/dbraw/zinc/74/63/31/523746331.db2.gz UOFNCVNNOFGRFT-UHFFFAOYSA-N 1 0 477.551 5.799 50 0 JKAARO C[N@@H+]1CCCCC[C@H]1C(=O)N(Cc1ccncc1)Cc1cccc(OCCc2ccc(F)cc2)c1 ZINC000012247115 523789958 /nfs/dbraw/zinc/78/99/58/523789958.db2.gz BUZBOZOHCGYHLN-NDEPHWFRSA-N 1 0 475.608 5.245 50 0 JKAARO C[N@@H+]1CCC[C@@H](COc2cc(-c3cccc(Cl)c3)cc3c2OCCN(C(=O)c2ccco2)C3)C1 ZINC000014952339 523815469 /nfs/dbraw/zinc/81/54/69/523815469.db2.gz VXZLVSLZWHCORE-LJQANCHMSA-N 1 0 480.992 5.355 50 0 JKAARO CCc1cc([C@H](c2ccc(OC)c(OC)c2)[NH+]2CCC(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546296 523843957 /nfs/dbraw/zinc/84/39/57/523843957.db2.gz CBCRUUGJNTUDIC-DEOSSOPVSA-N 1 0 468.619 5.994 50 0 JKAARO CCc1cc2c(ncnc2N2CCC(C(=O)Nc3ccc(C[NH+]4CCC(C)CC4)cc3)CC2)s1 ZINC000033078238 523849111 /nfs/dbraw/zinc/84/91/11/523849111.db2.gz QOEYHZUYFGVHSK-UHFFFAOYSA-N 1 0 477.678 5.341 50 0 JKAARO CCc1ccc(-c2nc(C[N@@H+]3CCC[C@H](C(=O)NCc4ccccc4Cl)C3)c(C)o2)cc1 ZINC000008597801 523859138 /nfs/dbraw/zinc/85/91/38/523859138.db2.gz BNNKFQVAIUXODI-QFIPXVFZSA-N 1 0 451.998 5.394 50 0 JKAARO CC[C@H](C)C[NH+]1CCC(O)(c2ccc3oc(C(=O)N(C)Cc4cccc5ncccc45)cc3c2)CC1 ZINC000014984406 523879060 /nfs/dbraw/zinc/87/90/60/523879060.db2.gz MNCZGMPRTHSORY-NRFANRHFSA-N 1 0 485.628 5.583 50 0 JKAARO CCc1ccc(C[NH+]2CCC(O)(c3ccc4oc(C(=O)N(C)CCc5ccccn5)cc4c3)CC2)cc1 ZINC000012243606 523923964 /nfs/dbraw/zinc/92/39/64/523923964.db2.gz XFZQBJUPXWNPES-UHFFFAOYSA-N 1 0 497.639 5.189 50 0 JKAARO CCc1ccc(C[NH+]2CCC([C@@H](Cc3ccccc3)N(C(=O)c3ccccn3)C3CC3)CC2)o1 ZINC000014976857 523924289 /nfs/dbraw/zinc/92/42/89/523924289.db2.gz KZQZGXVLAYKMJG-MUUNZHRXSA-N 1 0 457.618 5.365 50 0 JKAARO CC[C@H](C)[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)C[C@H](O)COC(C)C ZINC000036346812 523940424 /nfs/dbraw/zinc/94/04/24/523940424.db2.gz QZNCKAWIYKWUHU-UPVQGACJSA-N 1 0 465.638 5.574 50 0 JKAARO CC[C@H](C)[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@H](O)c1ccccc1 ZINC000036316213 523941331 /nfs/dbraw/zinc/94/13/31/523941331.db2.gz YPELQNCDXLCPAD-CUNXSJBXSA-N 1 0 455.602 6.214 50 0 JKAARO CN(C(=O)c1ccco1)[C@@H](Cc1ccccc1Cl)C1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000014978761 523951520 /nfs/dbraw/zinc/95/15/20/523951520.db2.gz CVEZZMGMRYRCKT-SANMLTNESA-N 1 0 488.031 6.077 50 0 JKAARO CN(C(=O)c1ccco1)[C@@H](Cc1ccccc1Cl)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000012333413 523951574 /nfs/dbraw/zinc/95/15/74/523951574.db2.gz SHRNKNKEGGXVIV-DEOSSOPVSA-N 1 0 454.973 5.668 50 0 JKAARO CN(C(=O)c1ccco1)[C@@H](Cc1ccccc1Cl)C1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000014966396 523951687 /nfs/dbraw/zinc/95/16/87/523951687.db2.gz QRKNFKNLHVQHSR-SANMLTNESA-N 1 0 476.020 6.010 50 0 JKAARO CN(C(=O)c1ccco1)[C@H](Cc1ccccc1Cl)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000012333417 523951984 /nfs/dbraw/zinc/95/19/84/523951984.db2.gz SHRNKNKEGGXVIV-XMMPIXPASA-N 1 0 454.973 5.668 50 0 JKAARO CN(C(=O)c1ccco1)[C@@H](Cc1ccccc1Cl)C1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000014981753 523952006 /nfs/dbraw/zinc/95/20/06/523952006.db2.gz VWYLTOZSAWDXEY-DEOSSOPVSA-N 1 0 495.019 5.300 50 0 JKAARO CN(C(=O)c1ccsc1)[C@@H](Cc1ccccc1F)C1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000014966906 523955252 /nfs/dbraw/zinc/95/52/52/523955252.db2.gz WFINYORBWDCFNC-DEOSSOPVSA-N 1 0 480.605 5.211 50 0 JKAARO CCc1ccc(NC(=O)N2CCC[C@H](c3cccc(C(=O)NCC[NH+]4CCCCCC4)c3)C2)cc1 ZINC000033035630 523980563 /nfs/dbraw/zinc/98/05/63/523980563.db2.gz SOGHHAWTONHRCT-SANMLTNESA-N 1 0 476.665 5.266 50 0 JKAARO CCc1ccc(NC(=O)N2CCC[C@H](c3cccc(C(=O)NCCC[NH+]4CCCCCC4)c3)C2)cc1 ZINC000033035620 523980757 /nfs/dbraw/zinc/98/07/57/523980757.db2.gz RWEWPZMKHLIPKV-MHZLTWQESA-N 1 0 490.692 5.656 50 0 JKAARO COc1ccc(C[N@@H+](Cc2cc(=O)n3c(-c4ccccc4)csc3n2)CC(C)C)cc1OC ZINC000033268834 524013558 /nfs/dbraw/zinc/01/35/58/524013558.db2.gz BKJCDUNMGPEKHD-UHFFFAOYSA-N 1 0 463.603 5.098 50 0 JKAARO CO[C@H]1[C@H](NC(=O)Cc2cccs2)c2ccccc2C12CC[NH+](Cc1cccc(C)c1)CC2 ZINC000014879237 524022777 /nfs/dbraw/zinc/02/27/77/524022777.db2.gz AJOMIEIDDDYMHN-SXOMAYOGSA-N 1 0 460.643 5.019 50 0 JKAARO COc1ccc(CNC(=O)C2CC[NH+](Cc3cc4ccccc4n3Cc3ccccc3)CC2)c(OC)c1 ZINC000046055473 524046513 /nfs/dbraw/zinc/04/65/13/524046513.db2.gz CTEUJHZOVGKHIP-UHFFFAOYSA-N 1 0 497.639 5.235 50 0 JKAARO COc1cccc2c1OC1(CC[NH+](Cc3ccccc3)CC1)N1N=C(c3ccc(F)cc3)C[C@@H]21 ZINC000008717746 524231771 /nfs/dbraw/zinc/23/17/71/524231771.db2.gz AFCWOZSDBTXAMO-VWLOTQADSA-N 1 0 457.549 5.370 50 0 JKAARO C[C@H](CCc1ccccc1)NC(=O)C1CC[NH+](Cc2cc3ccccc3n2Cc2cccc(F)c2)CC1 ZINC000046056064 524241111 /nfs/dbraw/zinc/24/11/11/524241111.db2.gz OPFGGRQTNVCREC-XMMPIXPASA-N 1 0 497.658 6.178 50 0 JKAARO COc1ccc(F)c(C[NH+]2CCC([C@@H](Cc3ccccc3)N(C(=O)c3ccccn3)C3CC3)CC2)c1 ZINC000014881888 524274196 /nfs/dbraw/zinc/27/41/96/524274196.db2.gz AMSOKWKSEZHNQK-GDLZYMKVSA-N 1 0 487.619 5.357 50 0 JKAARO C[C@@H]1CCC[C@@H](C)[NH+]1CCCN1C(=O)c2cc3sccc3n2C[C@@]1(C)C(=O)NC1CCCCC1 ZINC000021808485 524277611 /nfs/dbraw/zinc/27/76/11/524277611.db2.gz PNERHSRMPPSCPA-DVHCVUMVSA-N 1 0 484.710 5.019 50 0 JKAARO C[C@H](CNC(=O)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccccc2)CC1)c1ccccc1 ZINC000008602088 524374636 /nfs/dbraw/zinc/37/46/36/524374636.db2.gz OOLIPZRTMIAKSL-XMMPIXPASA-N 1 0 465.641 5.822 50 0 JKAARO Cc1cccc(CNC(=O)C2CC[NH+](Cc3cc4ccccc4n3Cc3ccccc3Cl)CC2)c1 ZINC000046055717 524412424 /nfs/dbraw/zinc/41/24/24/524412424.db2.gz ZCMNFHMQLGXASH-UHFFFAOYSA-N 1 0 486.059 6.180 50 0 JKAARO Cc1cccc(CNC(=O)C2CC[NH+](Cc3cc4ccccc4n3Cc3cccc(F)c3)CC2)c1 ZINC000046056035 524412457 /nfs/dbraw/zinc/41/24/57/524412457.db2.gz OTNCLQCZXPMILC-UHFFFAOYSA-N 1 0 469.604 5.666 50 0 JKAARO Cc1ccc(C[NH+]2CCC(c3nnc(SC[C@@H]4CCCO4)n3Cc3ccccc3)CC2)cc1 ZINC000014882494 524443985 /nfs/dbraw/zinc/44/39/85/524443985.db2.gz LBARFDKWJVDSLG-VWLOTQADSA-N 1 0 462.663 5.286 50 0 JKAARO C[C@H]1CCc2sc3nc(N4CC[NH+](C(c5ccccc5)c5ccccc5)CC4)n4ncnc4c3c2C1 ZINC000020478605 524444323 /nfs/dbraw/zinc/44/43/23/524444323.db2.gz CASPWZFPOVHQKI-FQEVSTJZSA-N 1 0 494.668 5.375 50 0 JKAARO COc1ccccc1C[NH+]1CCC(N(C(=O)c2ccc(F)cc2)c2ccc(OC)c(OC)c2)CC1 ZINC000037559608 524448719 /nfs/dbraw/zinc/44/87/19/524448719.db2.gz PTTDMYZLOXPAOG-UHFFFAOYSA-N 1 0 478.564 5.163 50 0 JKAARO COc1ccccc1CNC(=O)[C@@H]1C[C@H](COc2ccc3c(c2)CCC3)C[N@H+](Cc2ccccc2)C1 ZINC000014748639 524474106 /nfs/dbraw/zinc/47/41/06/524474106.db2.gz VBYZDSYZQCXEKF-RBJSKKJNSA-N 1 0 484.640 5.017 50 0 JKAARO C[C@@H](CC[NH+]1CCC2(CC1)C(=O)N(Cc1ccccn1)C(=O)N2CCc1ccccc1)c1ccccc1 ZINC000014533828 524484281 /nfs/dbraw/zinc/48/42/81/524484281.db2.gz VGAYLJHXXDOUTO-VWLOTQADSA-N 1 0 496.655 5.117 50 0 JKAARO Cc1ccc(CNC(=O)C2CC[NH+](Cc3cc4ccccc4n3Cc3ccccc3C)CC2)o1 ZINC000046055828 524495372 /nfs/dbraw/zinc/49/53/72/524495372.db2.gz JCXOSRFXHCBOQP-UHFFFAOYSA-N 1 0 455.602 5.428 50 0 JKAARO Cc1ccc(CNC(=O)C2CC[NH+](Cc3cc4ccccc4n3Cc3cccc(Cl)c3)CC2)cc1 ZINC000046055602 524495397 /nfs/dbraw/zinc/49/53/97/524495397.db2.gz KOEDIZLZFFMJPV-UHFFFAOYSA-N 1 0 486.059 6.180 50 0 JKAARO COc1ccccc1NC(=O)c1cc2cc(C3(O)CC[NH+](C[C@@H]4CC=CCC4)CC3)ccc2o1 ZINC000012245069 524625810 /nfs/dbraw/zinc/62/58/10/524625810.db2.gz DXECVQJYTBWEFV-HXUWFJFHSA-N 1 0 460.574 5.333 50 0 JKAARO C[C@@H](CNC(=O)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccccc2)CC1)c1ccccc1 ZINC000008602087 524644757 /nfs/dbraw/zinc/64/47/57/524644757.db2.gz OOLIPZRTMIAKSL-DEOSSOPVSA-N 1 0 465.641 5.822 50 0 JKAARO COc1ccccc1Oc1c(C[N@H+](C[C@H](O)COC(C)(C)C)C(C)C)c(C)nn1-c1ccccc1 ZINC000036302026 524693870 /nfs/dbraw/zinc/69/38/70/524693870.db2.gz BJJIFRNYYVEACZ-QHCPKHFHSA-N 1 0 481.637 5.368 50 0 JKAARO COc1ccccc1Oc1c(C[N@H+](C[C@@H](O)Cc2ccccc2)C2CC2)c(-c2ccccc2)nn1C ZINC000036305835 524694320 /nfs/dbraw/zinc/69/43/20/524694320.db2.gz MDBWPPWLCAXFNE-VWLOTQADSA-N 1 0 483.612 5.456 50 0 JKAARO COc1ccccc1Oc1c(C[N@H+](C[C@@H](O)COCC(C)C)C(C)C)c(C)nn1-c1ccccc1 ZINC000036302013 524695349 /nfs/dbraw/zinc/69/53/49/524695349.db2.gz UNASXUFIQBOHFY-XMMPIXPASA-N 1 0 481.637 5.226 50 0 JKAARO C[C@H](Cc1ccco1)NC(=O)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1 ZINC000046055546 524743539 /nfs/dbraw/zinc/74/35/39/524743539.db2.gz IRPRLFQCNUULBM-OAQYLSRUSA-N 1 0 490.047 5.895 50 0 JKAARO Cc1ccc(Cn2cnc3sc4c(c3c2=O)CC[C@@H]([NH2+]Cc2nc(-c3ccccc3)cs2)C4)cc1 ZINC000014979790 524774816 /nfs/dbraw/zinc/77/48/16/524774816.db2.gz WEPYHDFBQNLJKB-OAQYLSRUSA-N 1 0 498.677 5.585 50 0 JKAARO Cc1cccc(Oc2c(C[N@@H+](C[C@@H](O)COC(C)C)C(C)C)c(-c3ccccc3)nn2C)c1 ZINC000036306390 524783918 /nfs/dbraw/zinc/78/39/18/524783918.db2.gz SSBZTAZYCVQFPS-HSZRJFAPSA-N 1 0 451.611 5.184 50 0 JKAARO Cc1cccc(Oc2c(C[N@@H+](C[C@H](O)COCC(C)C)C3CC3)c(-c3ccccc3)nn2C)c1 ZINC000036306437 524784714 /nfs/dbraw/zinc/78/47/14/524784714.db2.gz OCAFUBNEJYIGEN-DEOSSOPVSA-N 1 0 463.622 5.186 50 0 JKAARO Cc1cccc(Oc2c(C[N@H+](C[C@H](O)Cc3ccccc3)CC3CC3)c(-c3ccccc3)nn2C)c1 ZINC000036306560 524786016 /nfs/dbraw/zinc/78/60/16/524786016.db2.gz HUUMSVVXZALPHA-HHHXNRCGSA-N 1 0 481.640 6.003 50 0 JKAARO COc1ccc(OC)c(C[NH+]2CCC([C@H](Cc3ccccc3F)N(C)C(=O)c3ccoc3C)CC2)c1 ZINC000014882293 524826060 /nfs/dbraw/zinc/82/60/60/524826060.db2.gz JUFSLBGPSRKVIW-MHZLTWQESA-N 1 0 494.607 5.340 50 0 JKAARO Cc1cccc([C@@H](CC(=O)NCC[NH+](C)C)c2cn(Cc3ccc(F)cc3)c3ccccc23)c1 ZINC000033560364 524833775 /nfs/dbraw/zinc/83/37/75/524833775.db2.gz MJZACMVKKCYYRU-AREMUKBSSA-N 1 0 457.593 5.337 50 0 JKAARO COc1ccc(OC)c(NC(=O)c2cc3cc(C4(O)CC[NH+](CC(C)(C)C)CC4)ccc3o2)c1 ZINC000012332054 524865636 /nfs/dbraw/zinc/86/56/36/524865636.db2.gz WEYKYSACDIJBTI-UHFFFAOYSA-N 1 0 466.578 5.032 50 0 JKAARO COc1ccc(Oc2c(C[N@H+](CC(C)C)C[C@H](O)C(C)C)c(-c3ccccc3)nn2C)cc1 ZINC000036305939 524989208 /nfs/dbraw/zinc/98/92/08/524989208.db2.gz AJYUOZRTDPVYTB-VWLOTQADSA-N 1 0 451.611 5.363 50 0 JKAARO COc1nc2c(c(C)nn2-c2ccccc2)c(C)c1CCC(=O)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC000046006720 524990119 /nfs/dbraw/zinc/99/01/19/524990119.db2.gz DTOMOTBMMFWSSS-UHFFFAOYSA-N 1 0 497.643 5.603 50 0 JKAARO COc1ccc(Oc2c(C[N@H+](CC(C)C)C[C@H](O)COC(C)C)c(C)nn2-c2ccccc2)cc1 ZINC000036302349 524990144 /nfs/dbraw/zinc/99/01/44/524990144.db2.gz PWGKOYFYWLBZIZ-DEOSSOPVSA-N 1 0 481.637 5.226 50 0 JKAARO Cc1ccccc1-c1ccc(C[N@H+]2CCc3nnc([C@@H](C)NC(=O)CCc4ccccc4)n3CC2)cc1 ZINC000014879311 525002540 /nfs/dbraw/zinc/00/25/40/525002540.db2.gz RFAIKTJOUXPGMB-XMMPIXPASA-N 1 0 493.655 5.122 50 0 JKAARO Cc1ccccc1-c1ncc(C[NH+]2CCC(CO)(Cc3cccc(C(F)(F)F)c3)CC2)cn1 ZINC000012315691 525013564 /nfs/dbraw/zinc/01/35/64/525013564.db2.gz HFBRXSZOTALPJK-UHFFFAOYSA-N 1 0 455.524 5.288 50 0 JKAARO Cc1ccc(NC(=O)C2CC[NH+](Cc3cc4ccccc4n3Cc3ccccc3Cl)CC2)cc1 ZINC000046055738 525027121 /nfs/dbraw/zinc/02/71/21/525027121.db2.gz ZHLSERZDEUXOMM-UHFFFAOYSA-N 1 0 472.032 6.502 50 0 JKAARO Cc1cc(N2CC[NH+](C)CC2)nc2ccc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)cc12 ZINC000020114433 525076541 /nfs/dbraw/zinc/07/65/41/525076541.db2.gz YVDKIOCGSQYBND-INIZCTEOSA-N 1 0 473.404 5.008 50 0 JKAARO Cc1ccc(NC(=O)[C@@H](C)Sc2nc3sc4c(c3c(=O)n2CCC[NH+](C)C)CCCC4)c(C)c1 ZINC000016796272 525194940 /nfs/dbraw/zinc/19/49/40/525194940.db2.gz ZLDUOKQQSSXUEG-GOSISDBHSA-N 1 0 498.718 5.025 50 0 JKAARO Cc1ccccc1Cn1c(C[NH+]2CCC(C(=O)NCc3ccccc3)CC2)cc2ccccc21 ZINC000046055771 525209545 /nfs/dbraw/zinc/20/95/45/525209545.db2.gz ICOUTIVIVKOWJH-UHFFFAOYSA-N 1 0 451.614 5.526 50 0 JKAARO Cc1ccccc1Cn1c(C[NH+]2CCC(C(=O)N[C@@H](C)Cc3ccco3)CC2)cc2ccccc21 ZINC000046055831 525209714 /nfs/dbraw/zinc/20/97/14/525209714.db2.gz PTRCISMFFSEGET-QHCPKHFHSA-N 1 0 469.629 5.550 50 0 JKAARO Cc1ccccc1Cn1c(C[NH+]2CCC(C(=O)N[C@@H](C)c3ccccc3)CC2)cc2ccccc21 ZINC000046055790 525210096 /nfs/dbraw/zinc/21/00/96/525210096.db2.gz ITWBTZLAXGFXJW-DEOSSOPVSA-N 1 0 465.641 6.087 50 0 JKAARO C[C@]12CC3CC([NH2+]Cc4cc(Br)ccc4OCc4ccccc4F)(C1)C[C@@](C)(C3)C2 ZINC000016605914 525341580 /nfs/dbraw/zinc/34/15/80/525341580.db2.gz SSUXRAGHDSIBAV-WNPZUFKQSA-N 1 0 472.442 7.006 50 0 JKAARO COc1ccc([C@H](CNC(=O)c2oc3cc(Br)ccc3c2C)[NH+]2CCCCC2)cc1 ZINC000008613383 525359629 /nfs/dbraw/zinc/35/96/29/525359629.db2.gz KQSUABYXRZXKAW-NRFANRHFSA-N 1 0 471.395 5.469 50 0 JKAARO C[C@H]([NH2+]C[C@@H](O)Cn1c(-c2ccccc2)c(-c2ccccc2)c2ccc3ccccc3c21)c1ccccc1 ZINC000028296581 525381397 /nfs/dbraw/zinc/38/13/97/525381397.db2.gz CXYFXSXIQABKFG-SETSBSEESA-N 1 0 496.654 7.840 50 0 JKAARO Cc1[nH]c2c(c1CC[NH2+]C1(c3nnnn3-c3c(C)cccc3C)CCCCC1)c(Cl)ccc2Cl ZINC000020506620 525414516 /nfs/dbraw/zinc/41/45/16/525414516.db2.gz NKLJCBFZSKBIAS-UHFFFAOYSA-N 1 0 497.474 6.367 50 0 JKAARO Cc1ccc(OC[C@@H]2c3ccsc3CCN2C(=O)C[N@@H+](C[C@H](O)c2ccccc2)C(C)C)cc1 ZINC000036309531 525433339 /nfs/dbraw/zinc/43/33/39/525433339.db2.gz FTHUOKLLJSABJL-FTJBHMTQSA-N 1 0 478.658 5.005 50 0 JKAARO Cc1ccc(O[C@@H](CC[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)c2cccc(F)c2)cc1 ZINC000034727797 525461756 /nfs/dbraw/zinc/46/17/56/525461756.db2.gz AHBQUOJXAFKMTO-SANMLTNESA-N 1 0 462.565 5.191 50 0 JKAARO Cc1ccc(Oc2nc(-c3ccccc3)ncc2C(=O)N2CCC([NH+]3CCCCC3)CC2)cc1C ZINC000034922052 525478304 /nfs/dbraw/zinc/47/83/04/525478304.db2.gz XGAABTXHMBMAIK-UHFFFAOYSA-N 1 0 470.617 5.643 50 0 JKAARO Cc1cc2c(-c3ccccc3)c(-c3ccccc3)n(C[C@H](O)C[NH2+]C3CCCCC3)c2c(C)c1 ZINC000008432027 525587886 /nfs/dbraw/zinc/58/78/86/525587886.db2.gz DFYDAKVMJHWJEW-HHHXNRCGSA-N 1 0 452.642 6.875 50 0 JKAARO Cc1cc2c(-c3ccccc3)c(-c3ccccc3)n(C[C@H](O)C[NH2+][C@H](C)c3ccccc3)c2c(C)c1 ZINC000028296675 525587959 /nfs/dbraw/zinc/58/79/59/525587959.db2.gz AADVVCGTHFIIKX-VAVYLYDRSA-N 1 0 474.648 7.304 50 0 JKAARO COc1ccc2c(c1)[nH]c(C(=O)NCCC[N@H+]1[C@H](C)CCC[C@@H]1C)c2Sc1ccccc1 ZINC000020466803 525597598 /nfs/dbraw/zinc/59/75/98/525597598.db2.gz GZTRPQZLMIPLCF-KDURUIRLSA-N 1 0 451.636 5.711 50 0 JKAARO Cc1c(C(=O)NCC[N@@H+](C)C2CCCCC2)oc2c1-c1nn(Cc3ccccc3Cl)cc1CC2 ZINC000020490240 525612160 /nfs/dbraw/zinc/61/21/60/525612160.db2.gz OZFZDPOFMDWGME-UHFFFAOYSA-N 1 0 481.040 5.246 50 0 JKAARO Cc1ccc([C@@H](C)CC[NH+]2CCC3(CC2)C(=O)N(CC(C)C)C(=O)N3Cc2ccccc2)o1 ZINC000014743645 525679754 /nfs/dbraw/zinc/67/97/54/525679754.db2.gz KVVINRUJOMAAJH-NRFANRHFSA-N 1 0 451.611 5.037 50 0 JKAARO COc1cccc(-c2cc3c(c(OC)c2)OCC[N@@H+]([C@H](C)Cc2ccccc2F)C3)c1OC ZINC000014991818 525710732 /nfs/dbraw/zinc/71/07/32/525710732.db2.gz LHBVKJBKKMAOQA-GOSISDBHSA-N 1 0 451.538 5.344 50 0 JKAARO COc1cccc(-c2nn(C)c3sc(C(=O)NCC4CC[NH+](Cc5cccc(C)c5)CC4)cc23)c1 ZINC000020233458 525731387 /nfs/dbraw/zinc/73/13/87/525731387.db2.gz BEWQUTZRHXIFKU-UHFFFAOYSA-N 1 0 488.657 5.261 50 0 JKAARO COc1cccc(-n2c(SC[C@@H]3CCCO3)nnc2C2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000012246843 525748433 /nfs/dbraw/zinc/74/84/33/525748433.db2.gz IVZRXFSFRPOPJK-VWLOTQADSA-N 1 0 478.662 5.235 50 0 JKAARO Cc1ccc(-c2ncn(C3CCCCC3)c2-c2ccc(C(=O)NCC[C@@H](C)[NH+]3CCCC3)o2)cc1 ZINC000065036860 525837922 /nfs/dbraw/zinc/83/79/22/525837922.db2.gz YHUYDACQTPLJGX-JOCHJYFZSA-N 1 0 474.649 6.228 50 0 JKAARO COc1cccc(C[NH+]2CCC(O)(c3ccc4oc(C(=O)Nc5ccccc5OC)cc4c3)CC2)c1 ZINC000014959346 525932337 /nfs/dbraw/zinc/93/23/37/525932337.db2.gz ASTYJHWLEFKZGE-UHFFFAOYSA-N 1 0 486.568 5.186 50 0 JKAARO COc1cccc(C[NH+]2CCC([C@@H](Cc3ccccc3F)N(C)C(=O)c3cccs3)CC2)c1OC ZINC000014993364 525932830 /nfs/dbraw/zinc/93/28/30/525932830.db2.gz MGEZSEKGIBHOLO-XMMPIXPASA-N 1 0 496.648 5.500 50 0 JKAARO COc1cccc(C[NH+]2CCC([C@@H](Cc3ccccc3Cl)N(C)C(=O)c3ccco3)CC2)c1OC ZINC000014883393 525932852 /nfs/dbraw/zinc/93/28/52/525932852.db2.gz MLALZSAYWTUIIJ-XMMPIXPASA-N 1 0 497.035 5.546 50 0 JKAARO COc1cccc(C[NH+]2CCC([C@H](Cc3ccccc3F)N(C)C(=O)c3ccoc3C)CC2)c1OC ZINC000014986852 525934682 /nfs/dbraw/zinc/93/46/82/525934682.db2.gz RNZFVXWKUQLOJM-SANMLTNESA-N 1 0 494.607 5.340 50 0 JKAARO COc1cccc(C[NH+]2CCC([C@H](Cc3ccccc3F)N(C)C(=O)c3cccs3)CC2)c1OC ZINC000014993365 525935091 /nfs/dbraw/zinc/93/50/91/525935091.db2.gz MGEZSEKGIBHOLO-DEOSSOPVSA-N 1 0 496.648 5.500 50 0 JKAARO COc1cccc(C[NH+]2CCC([C@H](Cc3ccccc3F)N(C)C(=O)c3ccoc3C)CC2)c1 ZINC000012331005 525936806 /nfs/dbraw/zinc/93/68/06/525936806.db2.gz QCEXVOKIVZPMRI-MHZLTWQESA-N 1 0 464.581 5.331 50 0 JKAARO COc1cccc(CNC(=O)C2CC[NH+](Cc3cc4ccccc4n3Cc3ccccc3C)CC2)c1 ZINC000046055800 525964314 /nfs/dbraw/zinc/96/43/14/525964314.db2.gz GDSSRAWDWIOIDJ-UHFFFAOYSA-N 1 0 481.640 5.535 50 0 JKAARO Cc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000036345544 525986933 /nfs/dbraw/zinc/98/69/33/525986933.db2.gz TURREYZEZVQLOD-GDLZYMKVSA-N 1 0 451.614 5.627 50 0 JKAARO COc1cccc(Oc2c(C[N@H+](C[C@@H](O)Cc3ccccc3)C(C)C)c(-c3ccccc3)nn2C)c1 ZINC000036305427 526240800 /nfs/dbraw/zinc/24/08/00/526240800.db2.gz YPBOVCKVZJOGAY-VWLOTQADSA-N 1 0 485.628 5.702 50 0 JKAARO COc1cccc(Oc2c(C[N@H+](C[C@H](O)Cc3ccccc3)C(C)C)c(-c3ccccc3)nn2C)c1 ZINC000036305425 526241216 /nfs/dbraw/zinc/24/12/16/526241216.db2.gz YPBOVCKVZJOGAY-RUZDIDTESA-N 1 0 485.628 5.702 50 0 JKAARO COc1cccc(Oc2c(C[N@H+](CC(C)C)C[C@H](O)COC(C)(C)C)c(-c3ccccc3)nn2C)c1 ZINC000036305292 526241477 /nfs/dbraw/zinc/24/14/77/526241477.db2.gz KAJXPQUCDKCTID-QHCPKHFHSA-N 1 0 495.664 5.522 50 0 JKAARO COc1cccc(Oc2c(C[N@H+](C[C@@H](O)Cc3ccccc3)C3CC3)c(-c3ccccc3)nn2C)c1 ZINC000036305485 526241629 /nfs/dbraw/zinc/24/16/29/526241629.db2.gz FJGFNAHWQIFXTC-VWLOTQADSA-N 1 0 483.612 5.456 50 0 JKAARO O[C@H](C[NH2+]Cc1ccco1)Cn1c2ccc(Br)cc2c2cc(Br)ccc21 ZINC000008670964 526278014 /nfs/dbraw/zinc/27/80/14/526278014.db2.gz BSYTXNNGKZNYPB-OAHLLOKOSA-N 1 0 478.184 5.063 50 0 aggregator JKAARO O[C@H](COCc1ccco1)C[N@@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146554 526286229 /nfs/dbraw/zinc/28/62/29/526286229.db2.gz JFRHLXCIJCHXCV-UPVQGACJSA-N 1 0 489.399 5.159 50 0 JKAARO O[C@H](Cc1ccccc1)C[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000036146371 526295596 /nfs/dbraw/zinc/29/55/96/526295596.db2.gz VLFVYSKZIPNLLA-PKTZIBPZSA-N 1 0 487.402 5.731 50 0 JKAARO O[C@H](Cn1c2ccccc2c2ccccc21)C[NH+]1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000095483616 526297820 /nfs/dbraw/zinc/29/78/20/526297820.db2.gz WJYSGRZSOSVSBB-NRFANRHFSA-N 1 0 468.428 5.280 50 0 JKAARO O=C(NCC[NH+]1CCCCCC1)c1ccc(Oc2nccnc2Sc2ccc(Cl)cc2)cc1 ZINC000033139912 526309448 /nfs/dbraw/zinc/30/94/48/526309448.db2.gz HIJNOHOHIYKFHH-UHFFFAOYSA-N 1 0 483.037 5.679 50 0 JKAARO Fc1ccc(C[NH+]2CCC(c3nnc(SC[C@@H]4CCCO4)n3Cc3ccccc3)CC2)cc1F ZINC000014996536 526331998 /nfs/dbraw/zinc/33/19/98/526331998.db2.gz LDAGUYJICRECJB-QFIPXVFZSA-N 1 0 484.616 5.255 50 0 JKAARO Fc1ccc(C[NH+]2CCC(c3nnc(SC[C@@H]4CCCO4)n3Cc3ccccc3)CC2)cc1 ZINC000014979126 526332341 /nfs/dbraw/zinc/33/23/41/526332341.db2.gz MZBWZZHHGDXUDN-DEOSSOPVSA-N 1 0 466.626 5.116 50 0 JKAARO O=C(CC1CCCC1)Nc1cccc(N2CCC([NH2+]Cc3c[nH]nc3-c3ccc(F)cc3)CC2)c1 ZINC000012246567 526357610 /nfs/dbraw/zinc/35/76/10/526357610.db2.gz GCXQGMJAIXWQJC-UHFFFAOYSA-N 1 0 475.612 5.493 50 0 JKAARO O=C(CC1CCCC1)Nc1cccc(N2CCC([NH2+][C@@H](CCn3ccnc3)c3ccccc3)CC2)c1 ZINC000012246232 526358772 /nfs/dbraw/zinc/35/87/72/526358772.db2.gz NIVHPRIXOIDZBZ-LJAQVGFWSA-N 1 0 485.676 5.792 50 0 JKAARO Fc1cccc(C[NH+]2CCC(c3nnc(SC[C@@H]4CCCO4)n3Cc3ccccc3)CC2)c1 ZINC000014886233 526384738 /nfs/dbraw/zinc/38/47/38/526384738.db2.gz FCEVJVITBPIFLO-DEOSSOPVSA-N 1 0 466.626 5.116 50 0 JKAARO Fc1cccc(Cl)c1CN1CC[NH+](CCCNc2ncnc3scc(-c4ccccc4)c32)CC1 ZINC000020412764 526389737 /nfs/dbraw/zinc/38/97/37/526389737.db2.gz DGTRBDLFGKYDFC-UHFFFAOYSA-N 1 0 496.055 5.771 50 0 JKAARO c1[nH]c2ccccc2c1C1(c2c[nH]c3ccccc32)CC[NH+](C[C@H]2CCN(c3ccccc3)C2)CC1 ZINC000085392874 526392716 /nfs/dbraw/zinc/39/27/16/526392716.db2.gz DZQPBZQDFPYWLV-XMMPIXPASA-N 1 0 474.652 6.558 50 0 JKAARO O=C(NCCc1ccccc1)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1 ZINC000046055517 526422932 /nfs/dbraw/zinc/42/29/32/526422932.db2.gz IGMGBGQMSFHYEX-UHFFFAOYSA-N 1 0 486.059 5.914 50 0 JKAARO O=C(CCCCC[NH+]1CCN(c2ccccc2-c2ccccc2)CC1)N[C@H]1CCCc2ccccc21 ZINC000014975990 526424057 /nfs/dbraw/zinc/42/40/57/526424057.db2.gz NMZIDFFHGCRAJV-PMERELPUSA-N 1 0 481.684 6.230 50 0 in-vitro JKAARO c1ccc(Cn2c(SC[C@@H]3CCCO3)nnc2C2CC[NH+](Cc3ccc4ncccc4c3)CC2)cc1 ZINC000012247335 526480404 /nfs/dbraw/zinc/48/04/04/526480404.db2.gz BDEDBQYGCZMRFB-SANMLTNESA-N 1 0 499.684 5.525 50 0 JKAARO O=C([C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1)N1CCC([NH+]2CCCCC2)CC1 ZINC000020508646 526572497 /nfs/dbraw/zinc/57/24/97/526572497.db2.gz NHGHLROGSGDUJH-RRPNLBNLSA-N 1 0 491.701 5.448 50 0 JKAARO O=C([C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1)N1CCC([NH+]2CCCCC2)CC1 ZINC000020508650 526572570 /nfs/dbraw/zinc/57/25/70/526572570.db2.gz NHGHLROGSGDUJH-SVBPBHIXSA-N 1 0 491.701 5.448 50 0 JKAARO O=C(NCc1ccc(Cl)cc1)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000046055930 526658962 /nfs/dbraw/zinc/65/89/62/526658962.db2.gz NLYUCENMTQTLED-UHFFFAOYSA-N 1 0 490.022 6.011 50 0 JKAARO O=C(c1ccc(C(F)(F)F)cc1)N(Cc1ccc(OCC[NH+]2CCCCC2)cc1)Cc1ccccn1 ZINC000012243680 526663756 /nfs/dbraw/zinc/66/37/56/526663756.db2.gz GBSWTCQLSGPLPT-UHFFFAOYSA-N 1 0 497.561 5.808 50 0 JKAARO O=C(c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1)N1CCN(Cc2ccccc2)CC1 ZINC000016478894 526668659 /nfs/dbraw/zinc/66/86/59/526668659.db2.gz ZFOFLKWLVCVGSZ-UHFFFAOYSA-N 1 0 467.657 5.099 50 0 JKAARO O=C(NCc1ccc(F)cc1)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1 ZINC000046055524 526670921 /nfs/dbraw/zinc/67/09/21/526670921.db2.gz XWPKPAUJIXRMOO-UHFFFAOYSA-N 1 0 490.022 6.011 50 0 JKAARO O=C(c1ccc(N2CCC([N@@H+]3CCCC[C@@H]3c3ccccn3)CC2)cc1)N1CCc2ccccc2C1 ZINC000014978622 526697062 /nfs/dbraw/zinc/69/70/62/526697062.db2.gz IXTPOZCRTUUVRQ-SSEXGKCCSA-N 1 0 480.656 5.476 50 0 JKAARO O=C(C[NH+]1CCC(Cc2ccccc2)CC1)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccccc1 ZINC000036341569 526727813 /nfs/dbraw/zinc/72/78/13/526727813.db2.gz WYEKQXMZQYGDEX-NDEPHWFRSA-N 1 0 455.577 5.458 50 0 JKAARO O=C(NCc1ccccc1)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1 ZINC000046055491 526732263 /nfs/dbraw/zinc/73/22/63/526732263.db2.gz FBHKRQJUOLHXFV-UHFFFAOYSA-N 1 0 472.032 5.871 50 0 JKAARO O=C(C[NH+]1CCCCCC1)Nc1nc(-c2ccc(Cl)cc2)cc(-c2ccc(Cl)cc2)n1 ZINC000021659447 526740345 /nfs/dbraw/zinc/74/03/45/526740345.db2.gz GFKDUEOMJUHPOH-UHFFFAOYSA-N 1 0 455.389 5.932 50 0 JKAARO O=C(NCc1ccccc1Cl)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000046055928 526745602 /nfs/dbraw/zinc/74/56/02/526745602.db2.gz XZQHRFNIWKRSKJ-UHFFFAOYSA-N 1 0 490.022 6.011 50 0 JKAARO O=C(NCc1ccco1)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccccc2Cl)CC1 ZINC000046055697 526774582 /nfs/dbraw/zinc/77/45/82/526774582.db2.gz MKWHJUOBANVRDB-UHFFFAOYSA-N 1 0 461.993 5.464 50 0 JKAARO O=C(NCc1cccs1)C1CC[NH+](Cc2cc3ccccc3n2Cc2cccc(F)c2)CC1 ZINC000046056054 526781244 /nfs/dbraw/zinc/78/12/44/526781244.db2.gz WIGKFCFMZKRPGO-UHFFFAOYSA-N 1 0 461.606 5.419 50 0 JKAARO O=C(c1ccccc1)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000034682624 526791801 /nfs/dbraw/zinc/79/18/01/526791801.db2.gz SVYDDBXHQLOULB-UHFFFAOYSA-N 1 0 456.483 6.156 50 0 JKAARO Cc1occc1C(=O)N(C)[C@@H](Cc1ccccc1F)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000014963268 526801264 /nfs/dbraw/zinc/80/12/64/526801264.db2.gz MHTMESMJSGUOQP-SANMLTNESA-N 1 0 452.545 5.462 50 0 JKAARO Cc1occc1C(=O)N(C)[C@@H](Cc1ccccc1F)C1CC[NH+](Cc2ccc3cccnc3c2)CC1 ZINC000014994036 526801570 /nfs/dbraw/zinc/80/15/70/526801570.db2.gz XYCLICWXSZUOTR-LJAQVGFWSA-N 1 0 485.603 5.871 50 0 JKAARO O=C(c1ccccn1)N([C@@H](Cc1ccccc1)C1CC[NH+](Cc2ccc(F)cc2)CC1)C1CC1 ZINC000014882645 526813862 /nfs/dbraw/zinc/81/38/62/526813862.db2.gz ZUMGEJRWCJDJOZ-NDEPHWFRSA-N 1 0 457.593 5.349 50 0 JKAARO O=C(c1ccccn1)N([C@H](Cc1ccccc1)C1CC[NH+](Cc2ccc(F)cc2)CC1)C1CC1 ZINC000014882644 526813964 /nfs/dbraw/zinc/81/39/64/526813964.db2.gz ZUMGEJRWCJDJOZ-MUUNZHRXSA-N 1 0 457.593 5.349 50 0 JKAARO O=C(c1ccco1)N1CCC[C@@H](COc2cccc(C[NH+]3CCC(Cc4ccccc4)CC3)c2)C1 ZINC000012280706 526827395 /nfs/dbraw/zinc/82/73/95/526827395.db2.gz GXGXIULXBKRSDI-HHHXNRCGSA-N 1 0 472.629 5.666 50 0 JKAARO O=C(c1ccoc1)N1CCC(Oc2ccc(C[NH+]3CCC(Cc4ccccc4)CC3)cc2)CC1 ZINC000014987751 526854822 /nfs/dbraw/zinc/85/48/22/526854822.db2.gz OONVRWRPXFQHKU-UHFFFAOYSA-N 1 0 458.602 5.418 50 0 JKAARO O=C(N[C@@H]1CCCc2ccccc21)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000046055956 526914868 /nfs/dbraw/zinc/91/48/68/526914868.db2.gz LIYQLARCAIPHJN-SSEXGKCCSA-N 1 0 495.642 6.235 50 0 JKAARO Clc1ccc(-c2nc3ccc(Cl)cn3c2CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000020366671 526935493 /nfs/dbraw/zinc/93/54/93/526935493.db2.gz KDDYOKXEYMJYKB-UHFFFAOYSA-N 1 0 451.401 5.626 50 0 JKAARO Clc1ccc(COc2ccc(Br)cc2C[NH2+]CCc2ccccc2)c(Cl)c1 ZINC000016479329 526951060 /nfs/dbraw/zinc/95/10/60/526951060.db2.gz WCYJNBKSJUMOAD-UHFFFAOYSA-N 1 0 465.218 6.667 50 0 JKAARO Clc1ccc(COc2ccc(Br)cc2C[NH2+]Cc2ccc3c(c2)OCO3)cc1 ZINC000016401815 526951729 /nfs/dbraw/zinc/95/17/29/526951729.db2.gz FKBJXXZANSHYOX-UHFFFAOYSA-N 1 0 460.755 5.700 50 0 JKAARO O=C1CC[C@@H]2C[N@@H+](Cc3ccc(OCc4ccccc4)cc3)CC[C@@H]2N1Cc1ccc(F)cc1 ZINC000014992622 526993105 /nfs/dbraw/zinc/99/31/05/526993105.db2.gz HXXSDJVOPWVQIG-NAKRPHOHSA-N 1 0 458.577 5.418 50 0 JKAARO O=C(Nc1ccc(Br)cc1)c1cnn(-c2ccc(Cl)cc2)c1C1CC[NH2+]CC1 ZINC000020320822 527157207 /nfs/dbraw/zinc/15/72/07/527157207.db2.gz QGJKSCGQYSCJHT-UHFFFAOYSA-N 1 0 459.775 5.008 50 0 JKAARO O=C(Nc1ccc(Cl)cc1)C1CC[NH+](Cc2cc3ccccc3n2Cc2cccc(Cl)c2)CC1 ZINC000046055587 527177993 /nfs/dbraw/zinc/17/79/93/527177993.db2.gz KVGDSPHYQQFPOS-UHFFFAOYSA-N 1 0 492.450 6.847 50 0 JKAARO Cn1cc(C[N@@H+]2CCC[C@@H](CCC(=O)NCc3ccccc3Cl)C2)c(-c2ccccc2)n1 ZINC000012373185 527200698 /nfs/dbraw/zinc/20/06/98/527200698.db2.gz MFSBELJDXGFDBJ-FQEVSTJZSA-N 1 0 451.014 5.049 50 0 JKAARO Cn1cc(C[N@@H+]2CCC[C@H](CCC(=O)NCc3ccccc3Cl)C2)c(-c2ccccc2)n1 ZINC000012373186 527202929 /nfs/dbraw/zinc/20/29/29/527202929.db2.gz MFSBELJDXGFDBJ-HXUWFJFHSA-N 1 0 451.014 5.049 50 0 JKAARO O=C(Nc1ccc(F)cc1)[C@@H]1C[C@H](C(=O)NCc2cccc3ccccc32)C[N@H+](Cc2ccccc2)C1 ZINC000014754726 527203402 /nfs/dbraw/zinc/20/34/02/527203402.db2.gz DUFSICAMJIDPGH-IZZNHLLZSA-N 1 0 495.598 5.372 50 0 JKAARO O=C(Cc1cccc(Cl)c1)Nc1ccc(N2CCC([NH2+]C3Cc4ccccc4C3)CC2)cc1 ZINC000014979535 527259868 /nfs/dbraw/zinc/25/98/68/527259868.db2.gz NBKUBGNIPYZHRJ-UHFFFAOYSA-N 1 0 460.021 5.247 50 0 JKAARO O=C(Nc1cccc(N2CCC([NH2+]CCc3nc(-c4ccccc4)cs3)CC2)c1)c1cccnc1 ZINC000012246851 527356851 /nfs/dbraw/zinc/35/68/51/527356851.db2.gz BSSZAZBJIZWUBW-UHFFFAOYSA-N 1 0 483.641 5.259 50 0 JKAARO O=c1[nH]c2ccccc2cc1C[N@@H+]1CCC[C@@H](c2nc(-c3ccncc3)ncc2-c2ccccc2)C1 ZINC000019741461 527444682 /nfs/dbraw/zinc/44/46/82/527444682.db2.gz RYZBEQGQWYXERM-XMMPIXPASA-N 1 0 473.580 5.427 50 0 JKAARO O=c1c(C[NH2+][C@@H](c2ccccc2)c2ccc(Cl)cc2)cc2ccc(F)cc2n1Cc1ccccn1 ZINC000012456175 527450647 /nfs/dbraw/zinc/45/06/47/527450647.db2.gz RJIYGEQAEADUGZ-NDEPHWFRSA-N 1 0 483.974 6.117 50 0 JKAARO O=c1cc(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c2cc3c(cc2o1)CCCC3 ZINC000020426968 527477718 /nfs/dbraw/zinc/47/77/18/527477718.db2.gz YTLZVSAIJRLJCW-UHFFFAOYSA-N 1 0 464.609 5.579 50 0 JKAARO O=c1cc(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c2cc3c(cc2o1)CCC3 ZINC000020502385 527478143 /nfs/dbraw/zinc/47/81/43/527478143.db2.gz VSRBLOUJUBCKIM-UHFFFAOYSA-N 1 0 450.582 5.189 50 0 JKAARO OC(c1ccc(C[N@@H+](Cc2ccccc2)C[C@H]2CCCO2)o1)(c1cccs1)c1cccs1 ZINC000036157321 527503913 /nfs/dbraw/zinc/50/39/13/527503913.db2.gz BFNTZSRICBOPDD-OAQYLSRUSA-N 1 0 465.640 5.868 50 0 JKAARO Cc1nn(-c2ccc(C)cc2)c2nc(C)cc(C(=O)NCC[NH+]3CCC(Cc4ccccc4)CC3)c12 ZINC000020516798 527522816 /nfs/dbraw/zinc/52/28/16/527522816.db2.gz CDKDKEYQFWOUMG-UHFFFAOYSA-N 1 0 481.644 5.030 50 0 JKAARO Cn1nc(-c2ccccc2)c(C[N@H+](C[C@@H](O)COC(C)(C)C)C2CC2)c1Oc1cccc(F)c1 ZINC000036307124 527536854 /nfs/dbraw/zinc/53/68/54/527536854.db2.gz QGUWODFLHAKMQZ-JOCHJYFZSA-N 1 0 467.585 5.159 50 0 JKAARO Cn1nc(-c2ccccc2)c(C[N@H+](C[C@@H](O)COC(C)(C)C)C[C@@H]2CCCO2)c1Oc1ccccc1 ZINC000036308307 527538550 /nfs/dbraw/zinc/53/85/50/527538550.db2.gz WMNYBFHKXSIINF-NOZRDPDXSA-N 1 0 493.648 5.036 50 0 JKAARO Cn1nc(-c2ccccc2)c(C[N@H+](C[C@@H](O)Cc2ccccc2)CC2CC2)c1Oc1cccc(F)c1 ZINC000036307301 527538818 /nfs/dbraw/zinc/53/88/18/527538818.db2.gz QWGZUUXTAWFMCO-SANMLTNESA-N 1 0 485.603 5.834 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1C[N@@H+](C[C@H](O)COC(C)(C)C)C(C)C ZINC000036304116 527548607 /nfs/dbraw/zinc/54/86/07/527548607.db2.gz MYUBMWHAOHVOHS-QFIPXVFZSA-N 1 0 487.591 5.638 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1C[N@@H+](C[C@H](O)COCC(C)C)C(C)C ZINC000036304111 527548856 /nfs/dbraw/zinc/54/88/56/527548856.db2.gz JTCVPKWXHYBSCD-QHCPKHFHSA-N 1 0 487.591 5.495 50 0 JKAARO Cc1nn(-c2ccccc2)c(N2CC[NH+](C)CC2)c1CN(CCC(C)C)C(=O)CCC1CCCC1 ZINC000034834631 527549011 /nfs/dbraw/zinc/54/90/11/527549011.db2.gz CFTVQFROWOZLNT-UHFFFAOYSA-N 1 0 479.713 5.278 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2ccc(Cl)cc2)c1C[N@@H+](C[C@H](O)COC(C)(C)C)C(C)C ZINC000036303711 527549095 /nfs/dbraw/zinc/54/90/95/527549095.db2.gz TUAGGNCXTBNZBE-QHCPKHFHSA-N 1 0 486.056 6.013 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1C[N@@H+](C[C@@H](O)COCC(C)C)C(C)C ZINC000036304113 527549110 /nfs/dbraw/zinc/54/91/10/527549110.db2.gz JTCVPKWXHYBSCD-HSZRJFAPSA-N 1 0 487.591 5.495 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1C[N@H+](C[C@H](O)COCC(C)C)CC1CC1 ZINC000036304268 527549614 /nfs/dbraw/zinc/54/96/14/527549614.db2.gz GLODMFCMPDQEDQ-DEOSSOPVSA-N 1 0 499.602 5.497 50 0 JKAARO Cc1nn(-c2ccccc2)c2c1-c1sc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc1CC2 ZINC000033049007 527550771 /nfs/dbraw/zinc/55/07/71/527550771.db2.gz KGQSOSGMHVYPQO-UHFFFAOYSA-N 1 0 482.653 5.402 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1C[N@@H+](C[C@H](O)COCC(C)C)C(C)C ZINC000036304755 527550833 /nfs/dbraw/zinc/55/08/33/527550833.db2.gz KCCBAJSOTCMNBK-VWLOTQADSA-N 1 0 465.638 5.525 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@H+](C[C@H](O)COC(C)(C)C)CC1CC1 ZINC000036308677 527550988 /nfs/dbraw/zinc/55/09/88/527550988.db2.gz AEJUVXCVKOKZHF-DEOSSOPVSA-N 1 0 463.622 5.361 50 0 JKAARO O=C(NCC1CC[NH+](CCc2ccc(F)cc2)CC1)c1cnc(N2CCCCC2)c2ccccc12 ZINC000033073282 527609504 /nfs/dbraw/zinc/60/95/04/527609504.db2.gz ZXEAEOAJQIPMBN-UHFFFAOYSA-N 1 0 474.624 5.049 50 0 JKAARO O[C@H](Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000003210197 527646138 /nfs/dbraw/zinc/64/61/38/527646138.db2.gz LYNXUHAGKSBEKX-VWLOTQADSA-N 1 0 489.446 7.165 50 0 JKAARO O[C@@H](COCc1ccccc1)C[N@@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036145988 527658122 /nfs/dbraw/zinc/65/81/22/527658122.db2.gz DWKHZXSILPDTFP-FTJBHMTQSA-N 1 0 499.438 5.566 50 0 JKAARO O[C@@H](COCc1ccccc1)C[N@@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146120 527658161 /nfs/dbraw/zinc/65/81/61/527658161.db2.gz ZMBILRAWYDXLTA-FTJBHMTQSA-N 1 0 482.983 5.052 50 0 JKAARO O=C(NCCC[NH+]1CCC(Cc2ccccc2)CC1)c1ccc(C[S@@](=O)c2cccc(Cl)c2)o1 ZINC000020514617 527660534 /nfs/dbraw/zinc/66/05/34/527660534.db2.gz MKXHPZFXGMBGHQ-UMSFTDKQSA-N 1 0 499.076 5.315 50 0 JKAARO O=C(NCCC[NH+]1CCN(c2ccc(F)cc2)CC1)c1cc2c(s1)c1ccccc1nc2Cl ZINC000008599235 527667303 /nfs/dbraw/zinc/66/73/03/527667303.db2.gz GFRYBSPKSXEONC-UHFFFAOYSA-N 1 0 483.012 5.184 50 0 JKAARO O=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1ccc2nc(Cc3ccccc3)oc2c1 ZINC000008611529 527667849 /nfs/dbraw/zinc/66/78/49/527667849.db2.gz BYLWPVVZCIGZMJ-UHFFFAOYSA-N 1 0 489.019 5.014 50 0 JKAARO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1cccc([C@@H]2CCCN(C(=O)Nc3ccccc3)C2)c1 ZINC000033264067 527674318 /nfs/dbraw/zinc/67/43/18/527674318.db2.gz AFBVXYAUEVNDGF-MUUNZHRXSA-N 1 0 496.655 5.276 50 0 JKAARO COc1ccc([C@H](CC(=O)NCC[NH+]2CCCC2)c2cn(Cc3ccc(F)cc3)c3ccccc23)cc1 ZINC000096276441 536909547 /nfs/dbraw/zinc/90/95/47/536909547.db2.gz QHFIKSBDFLVQRQ-NDEPHWFRSA-N 1 0 499.630 5.571 50 0 JKAARO Fc1ccc2c(c1)C1=C([C@@H](c3ccc(Br)cc3)N3NC=NC3=N1)[C@H](c1ccccc1)O2 ZINC000000638134 553722118 /nfs/dbraw/zinc/72/21/18/553722118.db2.gz RYXJLQPYRVIRSQ-PKTZIBPZSA-N 1 0 475.321 5.392 50 0 JKAARO O[C@@H](Cn1c2ccc(Br)cc2c2cc(Br)ccc21)C[NH+]1CCCCC1 ZINC000000820890 553786079 /nfs/dbraw/zinc/78/60/79/553786079.db2.gz VSRSHNKHEIZDAQ-MRXNPFEDSA-N 1 0 466.217 5.166 50 0 JKAARO CC[C@H]1C[N@@H+]2CC[C@H]1C[C@H]2[C@H](OC(=O)c1ccc(Cl)cc1)c1ccnc2ccc(OC)cc21 ZINC000001320131 553941582 /nfs/dbraw/zinc/94/15/82/553941582.db2.gz TXVNNFDXQZFMBQ-MFQNCIFPSA-N 1 0 464.993 5.915 50 0 JKAARO Cc1cc(Oc2coc3cc(OC[C@@H](O)C[N@H+]4CCC[C@@H](C)C4)ccc3c2=O)cc(C)c1Cl ZINC000001811008 553992335 /nfs/dbraw/zinc/99/23/35/553992335.db2.gz BDGUKDLRNQCGNZ-APWZRJJASA-N 1 0 471.981 5.327 50 0 JKAARO COc1ccc2[nH+]c(C)cc(Nc3ccc(Oc4ccc5ccccc5c4Cl)c(Cl)c3)c2c1 ZINC000002031307 554009831 /nfs/dbraw/zinc/00/98/31/554009831.db2.gz PTQZXSZBYZRXQE-UHFFFAOYSA-N 1 0 475.375 8.548 50 0 JKAARO COc1ccc(/C=C2/c3ccccc3-c3ccc(C(=O)CCCC[NH+]4CCCCC4)cc32)cc1 ZINC000002054156 554012295 /nfs/dbraw/zinc/01/22/95/554012295.db2.gz BLMJKVQCSBKJSZ-ANYBSYGZSA-N 1 0 451.610 7.103 50 0 JKAARO C[NH+](Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000002074795 554024290 /nfs/dbraw/zinc/02/42/90/554024290.db2.gz UCQIYQJHXVLJTD-UHFFFAOYSA-N 1 0 467.738 7.920 50 0 JKAARO CC(C)(C)c1ccc(C(=O)Oc2ccc3ccccc3c2[C@@H](c2ccccc2)[NH+]2CCCCC2)cc1 ZINC000002077418 554025090 /nfs/dbraw/zinc/02/50/90/554025090.db2.gz RMDRZRONVDYXPT-WJOKGBTCSA-N 1 0 477.648 7.932 50 0 JKAARO CC(C)(C)c1ccc(C(=O)Oc2ccc3ccccc3c2[C@H](c2ccccc2)[NH+]2CCCCC2)cc1 ZINC000002077419 554025097 /nfs/dbraw/zinc/02/50/97/554025097.db2.gz RMDRZRONVDYXPT-HKBQPEDESA-N 1 0 477.648 7.932 50 0 JKAARO CCOC(=O)c1ccccc1OCc1cc([C@H]2[NH2+]CCc3c4ccccc4[nH]c32)ccc1OC ZINC000002151292 554069830 /nfs/dbraw/zinc/06/98/30/554069830.db2.gz MODMKZKNNYYVER-AREMUKBSSA-N 1 0 456.542 5.167 50 0 biogenic JKAARO CCOC(=O)c1ccccc1OCc1cc([C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)ccc1OC ZINC000002151289 554069906 /nfs/dbraw/zinc/06/99/06/554069906.db2.gz MODMKZKNNYYVER-SANMLTNESA-N 1 0 456.542 5.167 50 0 biogenic JKAARO Cc1ccc(-n2nc3c(c2-c2ccccc2)c(-c2ccccc2)nn(CC[NH+]2CCCC2)c3=O)cc1 ZINC000002181164 554079935 /nfs/dbraw/zinc/07/99/35/554079935.db2.gz QAUDMPBLBYVOQD-UHFFFAOYSA-N 1 0 475.596 5.320 50 0 JKAARO CCOC(=O)c1c2cc(OC)c(Br)cc2n(-c2ccccc2)c1C[NH2+]Cc1ccccc1 ZINC000002190295 554085520 /nfs/dbraw/zinc/08/55/20/554085520.db2.gz UOXOMEICDXOGON-UHFFFAOYSA-N 1 0 493.401 5.868 50 0 biogenic JKAARO O[C@@H](C[NH2+]Cc1ccccc1)Cn1c2c(ccc3ccccc23)c(-c2ccccc2)c1-c1ccccc1 ZINC000002299923 554138925 /nfs/dbraw/zinc/13/89/25/554138925.db2.gz XAVUNDRLMSCTFC-LJAQVGFWSA-N 1 0 482.627 7.279 50 0 JKAARO C[NH+](C)[C@@H](CN1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O)c1c[nH]c2ccccc21 ZINC000002333966 554153090 /nfs/dbraw/zinc/15/30/90/554153090.db2.gz IPQDCFORTGTPIG-LBPRGKRZSA-N 1 0 471.171 5.680 50 0 JKAARO COc1ccc([C@@H]2C3=C(N=C4N=CNN42)c2cc(C)ccc2O[C@@H]3c2ccc(C(C)C)cc2)cc1OC ZINC000002344465 554157864 /nfs/dbraw/zinc/15/78/64/554157864.db2.gz RNUWEULFCBQNDM-FQLXRVMXSA-N 1 0 494.595 5.940 50 0 JKAARO [NH3+]CCNc1nc(SCc2ccccc2)nc2c3c4c(c(-c5ccccc5)nc3sc21)CCC4 ZINC000002410771 554191697 /nfs/dbraw/zinc/19/16/97/554191697.db2.gz RMHZXFRZGKTRAE-UHFFFAOYSA-N 1 0 483.666 6.058 50 0 JKAARO CCc1cc([C@@H](c2ccc(SC)cc2)[NH+]2CCC(C)CC2)c(NC(=O)c2ccccc2)s1 ZINC000002551837 554235343 /nfs/dbraw/zinc/23/53/43/554235343.db2.gz OAWPJRLFONLYJG-RUZDIDTESA-N 1 0 464.700 7.106 50 0 JKAARO COc1ccc([C@H](CNC(=O)c2cc3c(C)nn(-c4ccc(Cl)cc4)c3s2)[NH+](C)C)cc1 ZINC000002615951 554241032 /nfs/dbraw/zinc/24/10/32/554241032.db2.gz DWUOZZCQXNJLAA-NRFANRHFSA-N 1 0 469.010 5.090 50 0 JKAARO COc1ccc([C@@H](CNC(=O)c2cc3c(C)nn(-c4ccc(Cl)cc4)c3s2)[NH+](C)C)cc1 ZINC000002615952 554241037 /nfs/dbraw/zinc/24/10/37/554241037.db2.gz DWUOZZCQXNJLAA-OAQYLSRUSA-N 1 0 469.010 5.090 50 0 JKAARO Cc1ccc(-n2c(SCC(=O)NC[C@H](c3ccccc3)[NH+](C)C)nnc2-c2ccccc2)cc1C ZINC000002638966 554258980 /nfs/dbraw/zinc/25/89/80/554258980.db2.gz HMGCZKSNLGJLAI-RUZDIDTESA-N 1 0 485.657 5.062 50 0 JKAARO COc1ccc(C(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)cc1COc1ccccc1Cl ZINC000002735385 554318861 /nfs/dbraw/zinc/31/88/61/554318861.db2.gz JRJUJNAHOQXGOF-UHFFFAOYSA-N 1 0 464.993 6.166 50 0 JKAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(COc4ccc(Cl)c(Cl)c4)o2)N3)C1 ZINC000002785305 554344110 /nfs/dbraw/zinc/34/41/10/554344110.db2.gz QCVIRPUYBZGICY-FQEVSTJZSA-N 1 0 478.401 5.459 50 0 JKAARO CCOc1cc(C[NH2+][C@@H](C)c2ccccc2)c(Br)cc1OCC(=O)Nc1ccccc1 ZINC000002861483 554388201 /nfs/dbraw/zinc/38/82/01/554388201.db2.gz OEFPJCFUICAPJC-SFHVURJKSA-N 1 0 483.406 5.716 50 0 JKAARO COCC[NH+](CCOC)C[C@H](O)Cn1c2ccc(C)cc2c(-c2ccccc2)c1-c1ccccc1 ZINC000003201321 554430381 /nfs/dbraw/zinc/43/03/81/554430381.db2.gz KRIZHVZLUZFZLR-SANMLTNESA-N 1 0 472.629 5.239 50 0 JKAARO CCOC(=O)c1c2cc(OC)c(Br)cc2n(-c2ccccc2)c1C[NH+]1CCCC1 ZINC000005222214 554487490 /nfs/dbraw/zinc/48/74/90/554487490.db2.gz VYUQRLYKYWEPHX-UHFFFAOYSA-N 1 0 457.368 5.174 50 0 biogenic JKAARO CCc1ccc(-c2cc(C(=O)NC3CC[NH+](CC)CC3)c3cc(Br)ccc3n2)s1 ZINC000006284284 554527006 /nfs/dbraw/zinc/52/70/06/554527006.db2.gz YKSUNSHQUJGBJM-UHFFFAOYSA-N 1 0 472.452 5.502 50 0 JKAARO COc1ccc(CN(CC[C@]2(Cc3ccccc3)C[C@@H](C)[N@H+](C)C[C@H]2C)C(C)=O)cc1OC ZINC000008398722 554573772 /nfs/dbraw/zinc/57/37/72/554573772.db2.gz QMYJRGWDZJUCJC-DQCZWYHMSA-N 1 0 452.639 5.032 50 0 JKAARO COc1cc(C[NH2+]C23CC4CC(CC(C4)C2)C3)cc(Br)c1OCc1ccccc1 ZINC000008443452 554593097 /nfs/dbraw/zinc/59/30/97/554593097.db2.gz WZJOZGFTYZRZAC-UHFFFAOYSA-N 1 0 456.424 6.095 50 0 JKAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(Sc2cccc(Cl)c2)nc2ccccc21 ZINC000008583383 554601276 /nfs/dbraw/zinc/60/12/76/554601276.db2.gz DQMHAAUMURCDSO-SFHVURJKSA-N 1 0 454.039 6.034 50 0 JKAARO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2cccc(OCc3csc(C)n3)c2)CC1 ZINC000008747397 554650573 /nfs/dbraw/zinc/65/05/73/554650573.db2.gz VMQWEQGDQCBMTH-UHFFFAOYSA-N 1 0 471.026 5.078 50 0 JKAARO COc1ccc(C=CC2=C[C@](O)(C(F)(F)F)N(c3nc(-c4ccc(F)cc4)cs3)[NH2+]2)cc1 ZINC000008754091 554655947 /nfs/dbraw/zinc/65/59/47/554655947.db2.gz KNZLPCKSGUOLNU-ZEOAKLJRSA-N 1 0 463.456 5.488 50 0 JKAARO Cc1cc(Oc2coc3cc(OC[C@H](O)C[N@H+]4CCC[C@H](C)C4)ccc3c2=O)cc(C)c1Cl ZINC000008763878 554664155 /nfs/dbraw/zinc/66/41/55/554664155.db2.gz BDGUKDLRNQCGNZ-QFBILLFUSA-N 1 0 471.981 5.327 50 0 JKAARO CCC[NH+]1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(Sc4ccccc4)cc3)=NN12 ZINC000008767460 554668219 /nfs/dbraw/zinc/66/82/19/554668219.db2.gz DUQNKOUEVOZOCF-HHHXNRCGSA-N 1 0 469.654 6.583 50 0 JKAARO COc1ccc(C2=NN3[C@H](C2)c2cccc(OC)c2OC32CC[NH+](Cc3ccccc3)CC2)c(OC)c1 ZINC000008770411 554670753 /nfs/dbraw/zinc/67/07/53/554670753.db2.gz LPPUYAXUKHLNLM-AREMUKBSSA-N 1 0 499.611 5.248 50 0 JKAARO O=C1C[C@@H]([NH2+]CCc2c[nH]c3ccc(Cl)cc23)C(=O)N1c1ccc(Oc2ccccc2)cc1 ZINC000008770415 554670823 /nfs/dbraw/zinc/67/08/23/554670823.db2.gz KHGSPQYULOXGFD-XMMPIXPASA-N 1 0 459.933 5.078 50 0 JKAARO CCCC[NH+](CCCC)CCNC(=O)c1ccc(Sc2ccc(Cl)cc2)c(NC(C)=O)c1 ZINC000008811774 554692806 /nfs/dbraw/zinc/69/28/06/554692806.db2.gz CEQXPZIBNORWEF-UHFFFAOYSA-N 1 0 476.086 6.082 50 0 JKAARO O=C(Nc1ccc(Cl)c(Cl)c1)Nc1cc(C(=O)NCCC[NH+]2CCCCCC2)ccc1Cl ZINC000008812020 554693150 /nfs/dbraw/zinc/69/31/50/554693150.db2.gz IALRXBHFVSNABL-UHFFFAOYSA-N 1 0 497.854 6.287 50 0 JKAARO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2cc(Sc3cccc(Cl)c3)nc3ccccc32)C1 ZINC000008812684 554694179 /nfs/dbraw/zinc/69/41/79/554694179.db2.gz CKHBGZSTFDPBFD-OALUTQOASA-N 1 0 468.066 6.137 50 0 JKAARO CCC(C)(C)c1ccc(OCCCC(=O)OC[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c(C(C)(C)CC)c1 ZINC000008817444 554700338 /nfs/dbraw/zinc/70/03/38/554700338.db2.gz VFIRJXUWSVPBAV-BVAGGSTKSA-N 1 0 471.726 7.029 50 0 JKAARO O=C(OC[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1 ZINC000008868674 554762383 /nfs/dbraw/zinc/76/23/83/554762383.db2.gz HXNGFYZLCLPCNU-ZEQKJWHPSA-N 1 0 466.585 5.485 50 0 biogenic,in-vitro JKAARO O=C(OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc2nc(-c3cccs3)cc(C(F)(F)Cl)n2n1 ZINC000008868886 554762693 /nfs/dbraw/zinc/76/26/93/554762693.db2.gz OFMRCMZEVATFDR-WMLDXEAASA-N 1 0 480.968 5.167 50 0 JKAARO Cc1c(C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)oc2ccc3c(c12)[C@@H](O)CC1(CCCCC1)O3 ZINC000008912083 554801594 /nfs/dbraw/zinc/80/15/94/554801594.db2.gz LKLJFAMXVBICDY-ZVDOUQERSA-N 1 0 468.638 5.358 50 0 biogenic JKAARO Cc1c(C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)oc2ccc3c(c12)[C@H](O)CC1(CCCCC1)O3 ZINC000008912082 554801612 /nfs/dbraw/zinc/80/16/12/554801612.db2.gz LKLJFAMXVBICDY-SVFBPWRDSA-N 1 0 468.638 5.358 50 0 biogenic JKAARO CC[NH+](CC)CCNC(=O)c1ccc(Cn2c3cnccc3nc2SCc2ccccc2C)cc1 ZINC000008913661 554806561 /nfs/dbraw/zinc/80/65/61/554806561.db2.gz HDGJHWIBFXQCCR-UHFFFAOYSA-N 1 0 487.673 5.152 50 0 JKAARO CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OCc4ccccc4Cl)cc2)N3)C1 ZINC000008923123 554820333 /nfs/dbraw/zinc/82/03/33/554820333.db2.gz SHDMBBYBIHAJNF-HSZRJFAPSA-N 1 0 468.022 6.176 50 0 JKAARO COc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C(C)C)C4)ccc1OCc1ccccc1 ZINC000008923426 554820593 /nfs/dbraw/zinc/82/05/93/554820593.db2.gz UDQJKCOBGVMEHW-DEOSSOPVSA-N 1 0 463.603 5.531 50 0 JKAARO COc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C(C)C)C4)ccc1OC(=O)c1cccs1 ZINC000008923407 554820607 /nfs/dbraw/zinc/82/06/07/554820607.db2.gz YDGWTARZLIQHLI-OAQYLSRUSA-N 1 0 483.615 5.233 50 0 JKAARO CCOc1ccc(Br)cc1[C@@H]1Nc2sc3c(c2C(=O)N1)CC[N@H+](C(C)C)C3 ZINC000008923463 554820624 /nfs/dbraw/zinc/82/06/24/554820624.db2.gz RMDFHRZZBWJEMZ-SFHVURJKSA-N 1 0 450.402 5.105 50 0 JKAARO COc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C(C)C)C4)ccc1OCc1ccccc1 ZINC000008923429 554820651 /nfs/dbraw/zinc/82/06/51/554820651.db2.gz UDQJKCOBGVMEHW-XMMPIXPASA-N 1 0 463.603 5.531 50 0 JKAARO CCCCCCc1cc2c(cc1OC(=O)CCCCC[NH3+])occ(-c1nc(C)cs1)c2=O ZINC000008952304 554835819 /nfs/dbraw/zinc/83/58/19/554835819.db2.gz PDSMBJNGJZZOBT-UHFFFAOYSA-N 1 0 456.608 5.772 50 0 biogenic JKAARO CCC[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccc4ccccc4c3)=NN12 ZINC000009008064 554862274 /nfs/dbraw/zinc/86/22/74/554862274.db2.gz KAPAJCOACWMDNF-RUZDIDTESA-N 1 0 490.445 6.348 50 0 JKAARO Brc1ccc(-c2cn3c4ccccc4nc3n2CCC[NH2+]C2CCCCC2)cc1 ZINC000009009004 554862959 /nfs/dbraw/zinc/86/29/59/554862959.db2.gz GIOBDYCABBGGOW-UHFFFAOYSA-N 1 0 451.412 6.031 50 0 JKAARO COc1ccc(C2(C[N@H+](C)CC[C@@H](c3ccccc3)c3ccccc3O)CCCC2)cc1OC ZINC000009041712 554869024 /nfs/dbraw/zinc/86/90/24/554869024.db2.gz AWGOZTQYTOGBDK-VWLOTQADSA-N 1 0 459.630 6.375 50 0 JKAARO CCCC[N@H+](CCCNC(=O)c1ccc(C[S@](=O)c2cccc(Cl)c2)o1)Cc1ccccc1 ZINC000009115446 554902113 /nfs/dbraw/zinc/90/21/13/554902113.db2.gz HGUOAQCANCGXLC-MGBGTMOVSA-N 1 0 487.065 5.663 50 0 JKAARO O=C(NCCC[NH+]1CCC(Cc2ccccc2)CC1)c1ccc(C[S@](=O)c2cccc(Cl)c2)o1 ZINC000009115440 554902117 /nfs/dbraw/zinc/90/21/17/554902117.db2.gz MKXHPZFXGMBGHQ-UUWRZZSWSA-N 1 0 499.076 5.315 50 0 JKAARO CCCC[NH+](CCCC)CCCNC(=O)c1ccc(C[S@@](=O)c2cccc(Cl)c2)o1 ZINC000009115441 554902158 /nfs/dbraw/zinc/90/21/58/554902158.db2.gz SFXUGVQUECFFSB-PMERELPUSA-N 1 0 453.048 5.263 50 0 JKAARO O=C(CCc1cn(Cc2ccccc2Cl)c2ccccc12)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000009116040 554903063 /nfs/dbraw/zinc/90/30/63/554903063.db2.gz KQJXIMMPENSWQC-UHFFFAOYSA-N 1 0 486.059 6.056 50 0 JKAARO Cc1ccccc1Cn1cc(CCC(=O)NCCC[N@H+](Cc2ccccc2)C(C)C)c2ccccc21 ZINC000009116126 554903329 /nfs/dbraw/zinc/90/33/29/554903329.db2.gz GHEHOIXECQNNBG-UHFFFAOYSA-N 1 0 481.684 6.348 50 0 JKAARO CC[N@@H+]1CCc2c(sc(-n3cccc3)c2CNC(=O)Nc2ccc(Br)cc2)C1 ZINC000009151120 554937153 /nfs/dbraw/zinc/93/71/53/554937153.db2.gz GOGQQOPJRYEAOY-UHFFFAOYSA-N 1 0 459.413 5.001 50 0 JKAARO Cc1ccc2nc(N(CCC[NH+](C)C)C(=O)c3ccc(C(=O)c4ccccc4)cc3)sc2c1 ZINC000009151881 554939255 /nfs/dbraw/zinc/93/92/55/554939255.db2.gz ZGACVEHUANZUHA-UHFFFAOYSA-N 1 0 457.599 5.434 50 0 JKAARO CCCC[N@H+](CCNC(=O)c1nc(-c2ccc(Cl)cc2)n2c1CCCCC2)Cc1ccco1 ZINC000009152954 554941738 /nfs/dbraw/zinc/94/17/38/554941738.db2.gz REDZHOVWKARFQQ-UHFFFAOYSA-N 1 0 469.029 5.555 50 0 JKAARO CCCCCC[NH2+]C[C@H](c1ccccc1)[C@@](O)(c1ccc(OCC)cc1)c1ccccc1OC ZINC000009195286 554968664 /nfs/dbraw/zinc/96/86/64/554968664.db2.gz ZPVZAMOLYBQYOF-PQHLKRTFSA-N 1 0 461.646 6.284 50 0 JKAARO Cc1ccc2c(c1)[C@H]1CC(c3ccc4ccccc4c3)=NN1C1(CC[NH+](Cc3ccccc3)CC1)O2 ZINC000009210719 554980193 /nfs/dbraw/zinc/98/01/93/554980193.db2.gz QNXKAGMAAMFJAI-SSEXGKCCSA-N 1 0 473.620 6.684 50 0 JKAARO Cc1nn(-c2ccc(F)cc2)c(-n2cccc2)c1C(=O)NCCC[N@H+](Cc1ccccc1)C(C)C ZINC000009211697 554981705 /nfs/dbraw/zinc/98/17/05/554981705.db2.gz ZUJWKBYTILRDTA-UHFFFAOYSA-N 1 0 473.596 5.141 50 0 JKAARO Cc1oc(-c2ccc(C(=O)NCCC[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)nc1CSc1ccc(C)cc1 ZINC000009211953 554982027 /nfs/dbraw/zinc/98/20/27/554982027.db2.gz LHVDBMIJMRAMJC-VXKWHMMOSA-N 1 0 491.701 6.349 50 0 JKAARO Cc1oc(-c2ccc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc2)nc1CSc1ccccc1 ZINC000009211987 554982230 /nfs/dbraw/zinc/98/22/30/554982230.db2.gz HENRACAJMYCUSZ-UHFFFAOYSA-N 1 0 497.664 6.337 50 0 JKAARO Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)NCCC[NH+]3CCC(Cc4ccccc4)CC3)cc12 ZINC000009229060 555003105 /nfs/dbraw/zinc/00/31/05/555003105.db2.gz LJNWPUHWJSTHQL-UHFFFAOYSA-N 1 0 493.695 6.381 50 0 JKAARO Cc1cc2ccccc2n1-c1ccc(C(=O)NCCC[NH+]2CCN(c3ccc(F)cc3)CC2)s1 ZINC000009229198 555003550 /nfs/dbraw/zinc/00/35/50/555003550.db2.gz FQVFWNUALVTNSP-UHFFFAOYSA-N 1 0 476.621 5.082 50 0 JKAARO Cc1ccc2c(c1)[C@H]1CC(c3ccccc3Cl)=NN1C1(CC[NH+](Cc3ccccc3)CC1)O2 ZINC000009232718 555004968 /nfs/dbraw/zinc/00/49/68/555004968.db2.gz WYMGHHKMSKGCID-AREMUKBSSA-N 1 0 458.005 6.184 50 0 JKAARO Cc1ccc(C)c(NC(=O)C2CC[NH+](Cc3cnn(-c4ccccc4)c3-n3cccc3)CC2)c1 ZINC000009251626 555026009 /nfs/dbraw/zinc/02/60/09/555026009.db2.gz IGCMGZZEKGUNHU-UHFFFAOYSA-N 1 0 453.590 5.131 50 0 JKAARO Cc1cc(C)c2c(n1)sc(C(=O)NCCC[N@H+](Cc1ccccc1)C(C)C)c2-n1cccc1 ZINC000009251910 555026345 /nfs/dbraw/zinc/02/63/45/555026345.db2.gz KZVCLRWJOSVNJR-UHFFFAOYSA-N 1 0 460.647 5.734 50 0 JKAARO COc1ccc(C2=NN3[C@H](C2)c2ccccc2OC32CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC000009272290 555044754 /nfs/dbraw/zinc/04/47/54/555044754.db2.gz XYBGFVNCWYDMTH-RUZDIDTESA-N 1 0 469.585 5.240 50 0 JKAARO COc1ccc2c(c1)[nH]c(C(=O)NC1CC[NH+](Cc3ccccc3)CC1)c2Sc1ccc(C)cc1 ZINC000009288467 555062270 /nfs/dbraw/zinc/06/22/70/555062270.db2.gz MOBRYOGAGYNPIT-UHFFFAOYSA-N 1 0 485.653 6.031 50 0 JKAARO CC[C@H](C(=O)NCCC[N@H+](Cc1ccccc1)C(C)C)n1nc(C)c2sc3ccccc3c2c1=O ZINC000009289417 555063714 /nfs/dbraw/zinc/06/37/14/555063714.db2.gz QFAWCSXGAKQRFM-HSZRJFAPSA-N 1 0 490.673 5.288 50 0 JKAARO Cc1nn(CCCC(=O)NCCC[N@H+](Cc2ccccc2)C(C)C)c(=O)c2c3ccccc3sc21 ZINC000009289680 555063934 /nfs/dbraw/zinc/06/39/34/555063934.db2.gz RCDZZMKARCIQJI-UHFFFAOYSA-N 1 0 490.673 5.117 50 0 JKAARO c1ccc2c(c1)CCC[C@@H]2[NH+]1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3cccnc3)=NN12 ZINC000009291446 555065990 /nfs/dbraw/zinc/06/59/90/555065990.db2.gz FMOLZDMHNHMWGD-SVBPBHIXSA-N 1 0 450.586 5.495 50 0 JKAARO CC[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccccc3Cl)=NN12 ZINC000009307256 555080013 /nfs/dbraw/zinc/08/00/13/555080013.db2.gz PMBJJOCTHSXIQN-FQEVSTJZSA-N 1 0 460.803 5.458 50 0 JKAARO COc1ccc(C2=NN3[C@@H](C2)c2cc(C)ccc2OC32CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000009307741 555080924 /nfs/dbraw/zinc/08/09/24/555080924.db2.gz XYTOZJVLVMHAAC-MHZLTWQESA-N 1 0 453.586 5.539 50 0 JKAARO CSc1ccc([C@H]2Oc3ccccc3C3=C2[C@H](c2cccc(Cl)c2)N2NC=NC2=N3)cc1 ZINC000009345147 555110574 /nfs/dbraw/zinc/11/05/74/555110574.db2.gz RFQWMOLZZXBTES-BJKOFHAPSA-N 1 0 458.974 5.866 50 0 JKAARO Cc1nn2c(nc(C(C)(C)C)cc2N2CC[NH+](C3CCCC3)CC2)c1-c1ccc(Cl)cc1 ZINC000009346470 555113252 /nfs/dbraw/zinc/11/32/52/555113252.db2.gz HMVSSUCCMAFGAX-UHFFFAOYSA-N 1 0 452.046 5.720 50 0 JKAARO c1ccc(C[NH+]2CCC3(CC2)Oc2ccccc2[C@H]2CC(c4ccc(-c5ccccc5)cc4)=NN23)cc1 ZINC000009359230 555123131 /nfs/dbraw/zinc/12/31/31/555123131.db2.gz BITFEHGSFRQLLT-WJOKGBTCSA-N 1 0 485.631 6.889 50 0 JKAARO O=C(CSc1nnc(Cc2cccs2)n1-c1ccccc1)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000009367811 555130508 /nfs/dbraw/zinc/13/05/08/555130508.db2.gz NFHXDKPTFRUZTN-UHFFFAOYSA-N 1 0 489.670 5.246 50 0 JKAARO Cc1ccc(-n2c(SCC(=O)Nc3ccc(C[NH+]4CCCC4)cc3)nnc2-c2ccncc2)cc1C ZINC000009379162 555141233 /nfs/dbraw/zinc/14/12/33/555141233.db2.gz IPJHPKUNAPQTIR-UHFFFAOYSA-N 1 0 498.656 5.273 50 0 JKAARO COc1ccc(C2=NN(C(=O)C[NH+]3CCC(Cc4ccccc4)CC3)[C@@H](c3ccc(OC)cc3)C2)cc1 ZINC000009379789 555141666 /nfs/dbraw/zinc/14/16/66/555141666.db2.gz VXCMJAMPXUUFBU-SSEXGKCCSA-N 1 0 497.639 5.336 50 0 JKAARO c1ccc(C[NH+]2CCC3(CC2)Oc2ccccc2[C@@H]2CC(c4cccc5ccccc54)=NN23)cc1 ZINC000009380034 555141897 /nfs/dbraw/zinc/14/18/97/555141897.db2.gz VVNMFHBFXUABGX-LJAQVGFWSA-N 1 0 459.593 6.376 50 0 JKAARO COc1ccc(-c2cn3c4ccc(C(=O)NC5CC[NH+](Cc6ccccc6)CC5)cc4sc3n2)cc1 ZINC000009406422 555166716 /nfs/dbraw/zinc/16/67/16/555166716.db2.gz URFZQMXKOXZFLR-UHFFFAOYSA-N 1 0 496.636 5.619 50 0 JKAARO CC[C@H](C)[N@H+](CCNC(=O)c1cc2c(s1)-c1ccc(Cl)cc1SC2)Cc1ccco1 ZINC000009407784 555169418 /nfs/dbraw/zinc/16/94/18/555169418.db2.gz GKKYDGJWZPAXLZ-HNNXBMFYSA-N 1 0 461.052 6.298 50 0 JKAARO Cc1nn(-c2ccccc2)c2nc(C)c(CCC(=O)Nc3ccc(C[NH+]4CCCC4)cc3)c(C)c12 ZINC000009407817 555169491 /nfs/dbraw/zinc/16/94/91/555169491.db2.gz UWONKTWTNIYPQE-UHFFFAOYSA-N 1 0 467.617 5.513 50 0 JKAARO CC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC[C@@H](O)C[N@@H+](C)Cc3ccccc3)cc21 ZINC000009409338 555174124 /nfs/dbraw/zinc/17/41/24/555174124.db2.gz HDMFUOCBUOUNAW-VWLOTQADSA-N 1 0 456.586 5.322 50 0 JKAARO CCC[NH+](CCC)CCCNC(=O)[C@H]1c2ccccc2C(=O)N(CC(C)C)[C@@H]1c1cccs1 ZINC000009433064 555202831 /nfs/dbraw/zinc/20/28/31/555202831.db2.gz DFMQXUNYLAWZKP-LOSJGSFVSA-N 1 0 469.695 5.313 50 0 JKAARO CC[C@H](C)[N@H+](CCCNC(=O)c1cn(-c2ccc(OC)cc2)c(=O)c2ccccc12)Cc1ccco1 ZINC000009433781 555204064 /nfs/dbraw/zinc/20/40/64/555204064.db2.gz IEMIIWIKAPIAGY-NRFANRHFSA-N 1 0 487.600 5.013 50 0 JKAARO COc1ccc([C@H](CNC(=O)c2c(C)nn(Cc3ccc(C)cc3)c2Cl)[NH+]2CCCCC2)cc1 ZINC000009439602 555209645 /nfs/dbraw/zinc/20/96/45/555209645.db2.gz IKDSORFNKFRDKU-DEOSSOPVSA-N 1 0 481.040 5.167 50 0 JKAARO COc1ccc(C[NH2+]CC[C@@H](c2ccc(OC(C)C)cc2)C2CCCCC2)cc1OC(C)C ZINC000009451084 555223496 /nfs/dbraw/zinc/22/34/96/555223496.db2.gz JVRWVGCYDIVKLA-HHHXNRCGSA-N 1 0 453.667 7.113 50 0 JKAARO C[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccc(Cl)cc3Cl)=NN12 ZINC000009455888 555225939 /nfs/dbraw/zinc/22/59/39/555225939.db2.gz VQPVNPOQSLRLNL-IBGZPJMESA-N 1 0 481.221 5.721 50 0 JKAARO CC[NH+]1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(Sc4ccccc4)cc3)=NN12 ZINC000009461480 555229087 /nfs/dbraw/zinc/22/90/87/555229087.db2.gz NTWLIQCRBOJYSY-SANMLTNESA-N 1 0 455.627 6.193 50 0 JKAARO CC[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccc(Cl)cc3Cl)=NN12 ZINC000009461611 555229495 /nfs/dbraw/zinc/22/94/95/555229495.db2.gz XPNJTYFFDOGIAX-HXUWFJFHSA-N 1 0 495.248 6.111 50 0 JKAARO Brc1ccc2c(c1)[C@H]1CC(c3ccncc3)=NN1C1(CC[NH+](Cc3ccccc3)CC1)O2 ZINC000009461652 555229718 /nfs/dbraw/zinc/22/97/18/555229718.db2.gz GJTWBJGEHPVDAM-XMMPIXPASA-N 1 0 489.417 5.380 50 0 JKAARO CCC[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccc(Cl)cc3)=NN12 ZINC000009462238 555231036 /nfs/dbraw/zinc/23/10/36/555231036.db2.gz NKEYXPADDRLQDW-OAQYLSRUSA-N 1 0 474.830 5.848 50 0 JKAARO O=C(Nc1cccc(C[NH2+]CCCn2cnc3ccccc32)c1)c1ccc(Cl)cc1Cl ZINC000009465414 555239647 /nfs/dbraw/zinc/23/96/47/555239647.db2.gz KKRJUDLNFAPMAR-UHFFFAOYSA-N 1 0 453.373 5.775 50 0 JKAARO CCCC1=Nc2cc(C(=O)NCCC[N@@H+]3CCCC[C@H]3CC)ccc2Sc2ccc(C)cc21 ZINC000009490441 555265896 /nfs/dbraw/zinc/26/58/96/555265896.db2.gz CLEVJXOSBJOTEQ-JOCHJYFZSA-N 1 0 463.691 6.765 50 0 JKAARO COc1ccc(-c2nc3ccccc3c(NCC3CC[NH+](Cc4ccccc4Cl)CC3)n2)cc1 ZINC000009527079 555320714 /nfs/dbraw/zinc/32/07/14/555320714.db2.gz GECMWVJMYZRDHQ-UHFFFAOYSA-N 1 0 473.020 6.283 50 0 JKAARO Cc1cccc(C[NH+]2CCC(CNc3nc(-c4ccc(Cl)cc4)nc4ccccc43)CC2)c1 ZINC000009527112 555320733 /nfs/dbraw/zinc/32/07/33/555320733.db2.gz ZPOPTEZMXGHQLB-UHFFFAOYSA-N 1 0 457.021 6.583 50 0 JKAARO COc1ccc(-c2nc3ccccc3c(NCC3CC[NH+](Cc4ccccc4F)CC3)n2)cc1 ZINC000009527077 555320757 /nfs/dbraw/zinc/32/07/57/555320757.db2.gz ZFCICLTZMSWCLF-UHFFFAOYSA-N 1 0 456.565 5.769 50 0 JKAARO COc1ccc(-c2nc3ccccc3c(NCC3CC[NH+](Cc4ccc(C)cc4)CC3)n2)cc1 ZINC000009527074 555320770 /nfs/dbraw/zinc/32/07/70/555320770.db2.gz DYTVWAJGOWVMBL-UHFFFAOYSA-N 1 0 452.602 5.938 50 0 JKAARO COc1ccc(-c2nc3ccccc3c(NCCC[NH+]3CCN(c4cc(C)ccc4C)CC3)n2)cc1 ZINC000009527067 555320802 /nfs/dbraw/zinc/32/08/02/555320802.db2.gz GIBQIBQDZOJSFC-UHFFFAOYSA-N 1 0 481.644 5.546 50 0 JKAARO COc1ccc(-c2csc3ncnc(NCC4CC[NH+](CCc5ccc(F)cc5)CC4)c23)cc1 ZINC000009527762 555321012 /nfs/dbraw/zinc/32/10/12/555321012.db2.gz WUEVCSCDXHKBST-UHFFFAOYSA-N 1 0 476.621 5.873 50 0 JKAARO Cc1ccc2nc3sc(C(=O)NCCC[NH+]4CCN(c5cc(C)ccc5C)CC4)cc3cc2c1 ZINC000009528732 555322482 /nfs/dbraw/zinc/32/24/82/555322482.db2.gz DUJQRWDEWGAYSX-UHFFFAOYSA-N 1 0 472.658 5.317 50 0 JKAARO C[C@H]1CCC[C@H](C)[NH+]1CCCNC(=O)c1cc(Sc2ccc(Cl)cc2)nc2ccccc21 ZINC000009546373 555341582 /nfs/dbraw/zinc/34/15/82/555341582.db2.gz OGSZEJYMNPPRSD-OALUTQOASA-N 1 0 468.066 6.422 50 0 JKAARO CC(C)(C)CC(C)(C)c1ccc(OC[C@@H](O)C[NH2+]C2CCN(Cc3ccccc3)CC2)cc1 ZINC000013147658 555346800 /nfs/dbraw/zinc/34/68/00/555346800.db2.gz HVPOLBVJXKUOOF-SANMLTNESA-N 1 0 452.683 5.394 50 0 JKAARO COC(=O)c1c2c(sc1NC(=O)c1ccccc1Oc1ccccc1)C(C)(C)[NH2+]C(C)(C)C2 ZINC000009639746 555349091 /nfs/dbraw/zinc/34/90/91/555349091.db2.gz PUQNTURAQSKRMX-UHFFFAOYSA-N 1 0 464.587 5.739 50 0 JKAARO CCOc1ccc(OCC)c(NC(=O)c2cnn(-c3ccc(C)c(Cl)c3)c2C2CC[NH2+]CC2)c1 ZINC000009639761 555349164 /nfs/dbraw/zinc/34/91/64/555349164.db2.gz VVTYSJDENWTNLI-UHFFFAOYSA-N 1 0 483.012 5.351 50 0 JKAARO COc1ccccc1OCc1ccc(C(=O)Nc2nc3ccccc3n2CC[NH+]2CCCCC2)cc1 ZINC000009557271 555351759 /nfs/dbraw/zinc/35/17/59/555351759.db2.gz PDJZOUUBYXHNIJ-UHFFFAOYSA-N 1 0 484.600 5.362 50 0 JKAARO CCCC[N@H+](CC(=O)N1CCCc2c3cc(OCCC)ccc3oc(=O)c21)Cc1ccccc1 ZINC000009560317 555356582 /nfs/dbraw/zinc/35/65/82/555356582.db2.gz BNEOEYKZXTYJJE-UHFFFAOYSA-N 1 0 462.590 5.163 50 0 JKAARO Fc1ccc([C@H](NCC2CC[NH+](Cc3ccc(Cl)cc3)CC2)c2nnc(-c3ccccc3)o2)cc1 ZINC000009645516 555358256 /nfs/dbraw/zinc/35/82/56/555358256.db2.gz ATEFTIKCLNZSBH-SANMLTNESA-N 1 0 491.010 6.120 50 0 JKAARO O[C@@]1(c2ccc(OC(F)F)cc2)CN(c2ccc(Br)cc2)C2=[N+]1c1ccccc1CC2 ZINC000013300943 555372752 /nfs/dbraw/zinc/37/27/52/555372752.db2.gz PQXUZMYQNNTLBO-XMMPIXPASA-N 1 0 486.336 5.405 50 0 JKAARO CCCC[NH+]1CCN(C(=O)c2cc(-c3ccccc3)nc3ccc(Br)cc32)CC1 ZINC000013321625 555375750 /nfs/dbraw/zinc/37/57/50/555375750.db2.gz AKCQQRURMMFUBE-UHFFFAOYSA-N 1 0 452.396 5.222 50 0 JKAARO Cc1ccc2c(C(=O)N3CC[NH+](C45CC6CC(CC(C6)C4)C5)CC3)cc(-c3ccncc3)nc2c1C ZINC000013321661 555376028 /nfs/dbraw/zinc/37/60/28/555376028.db2.gz HNJGYRANYAJVTD-UHFFFAOYSA-N 1 0 480.656 5.640 50 0 JKAARO Cc1ccc2c(C(=O)N3CC[NH+](C45CC6CC(CC(C6)C4)C5)CC3)cc(-c3ccccn3)nc2c1C ZINC000013321667 555376042 /nfs/dbraw/zinc/37/60/42/555376042.db2.gz YHXUBZBMCXDIIQ-UHFFFAOYSA-N 1 0 480.656 5.640 50 0 JKAARO Cc1cccc2c(C(=O)N3CC[NH+](C45CC6CC(CC(C6)C4)C5)CC3)cc(-c3cccnc3)nc12 ZINC000013321679 555376044 /nfs/dbraw/zinc/37/60/44/555376044.db2.gz HCNBHHWELQDFPB-UHFFFAOYSA-N 1 0 466.629 5.332 50 0 JKAARO O=C(c1cc(-c2cccnc2)nc2ccccc21)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000013321643 555376062 /nfs/dbraw/zinc/37/60/62/555376062.db2.gz OHITWCNMSIYBCI-UHFFFAOYSA-N 1 0 452.602 5.023 50 0 JKAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H](C)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000013369265 555391116 /nfs/dbraw/zinc/39/11/16/555391116.db2.gz ADHVRVGKBCKWRB-DENIHFKCSA-N 1 0 453.030 5.689 50 0 JKAARO C[C@H](C(=O)N1CC[NH+](C2CCCCC2)CC1)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000013369336 555391125 /nfs/dbraw/zinc/39/11/25/555391125.db2.gz HSTGZQZOSKYWRH-LJQANCHMSA-N 1 0 451.014 5.395 50 0 JKAARO C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000013369218 555391131 /nfs/dbraw/zinc/39/11/31/555391131.db2.gz ZLHRUKLIPGOTRB-HXUWFJFHSA-N 1 0 473.020 5.699 50 0 JKAARO CC[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000013369405 555391155 /nfs/dbraw/zinc/39/11/55/555391155.db2.gz TWJGXJQTLPZHLM-SANMLTNESA-N 1 0 487.047 6.089 50 0 JKAARO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2c(C)onc2-c2c(F)cccc2Cl)CC1 ZINC000009672417 555394444 /nfs/dbraw/zinc/39/44/44/555394444.db2.gz AEQQWXKDUFEEIW-UHFFFAOYSA-N 1 0 477.367 5.490 50 0 JKAARO CN1N=C2/C(=C/c3ccc(C(F)(F)F)cc3)C[N@@H+](C)C[C@H]2[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000013468679 555402115 /nfs/dbraw/zinc/40/21/15/555402115.db2.gz KHYACKNGUMLYGX-AXIJBTFKSA-N 1 0 453.430 5.712 50 0 JKAARO O=C(NCC[NH+]1CCCC1)c1ccc2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc2c1 ZINC000009589334 555402394 /nfs/dbraw/zinc/40/23/94/555402394.db2.gz YBPPZCAYEHFWMO-UHFFFAOYSA-N 1 0 458.512 5.068 50 0 JKAARO CC(C)C[NH+](CCNC(=O)c1cc(-c2ccc(Br)s2)nc2ccccc21)CC(C)C ZINC000009598059 555415745 /nfs/dbraw/zinc/41/57/45/555415745.db2.gz OJGYEDFOQUVNLY-UHFFFAOYSA-N 1 0 488.495 6.070 50 0 JKAARO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1cc(-c2ccc(Cl)s2)nc2ccccc21 ZINC000009598069 555415757 /nfs/dbraw/zinc/41/57/57/555415757.db2.gz WCFCQCFHFYHSEQ-UHFFFAOYSA-N 1 0 462.018 5.795 50 0 JKAARO C[NH+]1CCN(c2ccccc2NC(=O)CSc2c3cc(Cl)ccc3nc3c2CCCC3)CC1 ZINC000009693764 555422815 /nfs/dbraw/zinc/42/28/15/555422815.db2.gz BUUQFCQRAXNCFA-UHFFFAOYSA-N 1 0 481.065 5.250 50 0 JKAARO CCCCOCCCNC(=O)C1CC[NH+](Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC1 ZINC000009601233 555425698 /nfs/dbraw/zinc/42/56/98/555425698.db2.gz XZTHPFQOBNBRON-UHFFFAOYSA-N 1 0 460.703 5.522 50 0 JKAARO CC1=Nc2cc(C(=O)NCC[NH+](CC(C)C)CC(C)C)ccc2Sc2ccc(Cl)cc21 ZINC000009608043 555434671 /nfs/dbraw/zinc/43/46/71/555434671.db2.gz MZVBYWZTLROPRG-UHFFFAOYSA-N 1 0 458.071 6.289 50 0 JKAARO CC[NH+](CC)CCCNC(=O)c1ccc2c(c1)N=C(C)c1cc(Br)ccc1S2 ZINC000009608197 555434931 /nfs/dbraw/zinc/43/49/31/555434931.db2.gz MMZGYLGEFVAAGB-UHFFFAOYSA-N 1 0 460.441 5.516 50 0 JKAARO COc1ccc(Nc2c3cc(NC(=O)c4cccs4)ccc3[nH+]c3c2CCCC3)cc1OC ZINC000009612252 555444795 /nfs/dbraw/zinc/44/47/95/555444795.db2.gz TVVYLOVAPSEZLS-UHFFFAOYSA-N 1 0 459.571 6.188 50 0 JKAARO COc1ccc(Nc2c3cc(NC(=O)c4ccc5c(c4)OCO5)ccc3[nH+]c3c2CCCC3)cc1OC ZINC000009612254 555444864 /nfs/dbraw/zinc/44/48/64/555444864.db2.gz CALSZXYZTINVIS-UHFFFAOYSA-N 1 0 497.551 5.855 50 0 JKAARO CCOc1ccc(-c2c[nH+]c(NCc3cccc(OCc4ccccc4)c3)n2CCOC)cc1 ZINC000009720965 555452779 /nfs/dbraw/zinc/45/27/79/555452779.db2.gz DQGLRNGOKBGUDU-UHFFFAOYSA-N 1 0 457.574 5.786 50 0 JKAARO Cc1oc(-c2cccc(Cl)c2)nc1C[NH+]1CCC(C(=O)NCCCSC2CCCCC2)CC1 ZINC000009731847 555468898 /nfs/dbraw/zinc/46/88/98/555468898.db2.gz MZWTYDGNSANPAJ-UHFFFAOYSA-N 1 0 490.113 6.088 50 0 JKAARO CCCCSCCCNC(=O)C1CC[NH+](Cc2nc(-c3cccc(Cl)c3)oc2C)CC1 ZINC000009731845 555468962 /nfs/dbraw/zinc/46/89/62/555468962.db2.gz ZQBZUBWDRPBSHR-UHFFFAOYSA-N 1 0 464.075 5.555 50 0 JKAARO Cc1c(C[NH2+]CC2CC[NH+](Cc3ccc(C)cc3)CC2)c(C(=O)[O-])c(C)n1Cc1cc(C)ccc1C ZINC000009746987 555478695 /nfs/dbraw/zinc/47/86/95/555478695.db2.gz QPXZIRCRRYEIMK-UHFFFAOYSA-N 1 0 487.688 5.779 50 0 JKAARO COc1ccccc1Nc1c2cc(NC(=O)COc3cccc(C)c3)ccc2[nH+]c2c1CCCC2 ZINC000009777114 555495677 /nfs/dbraw/zinc/49/56/77/555495677.db2.gz SBPGPRJLXHTUKB-UHFFFAOYSA-N 1 0 467.569 6.192 50 0 JKAARO O[C@H](Cn1c2c(ccc3ccccc23)c(-c2ccccc2)c1-c1ccccc1)C[NH+]1CCCCCC1 ZINC000009783139 555504330 /nfs/dbraw/zinc/50/43/30/555504330.db2.gz YWPOKGIPCWDVRZ-NDEPHWFRSA-N 1 0 474.648 7.365 50 0 JKAARO O=c1c2c(ncn1CCCc1ccccc1)sc1c2CC[C@H]([NH2+]Cc2c(F)cccc2F)C1 ZINC000019839526 555508132 /nfs/dbraw/zinc/50/81/32/555508132.db2.gz QEOVDUPULCTXBV-SFHVURJKSA-N 1 0 465.569 5.016 50 0 JKAARO Cc1[nH]c2c(ccc(Cl)c2Cl)c1CC[NH2+]C1(c2nnnn2-c2ccc(C)cc2)CCCCC1 ZINC000019848420 555509865 /nfs/dbraw/zinc/50/98/65/555509865.db2.gz ZRBBXWPAAHHAGG-UHFFFAOYSA-N 1 0 483.447 6.059 50 0 JKAARO C[NH+](C)CCCn1c2ncn3nc(-c4ccncc4)nc3c2c(-c2ccccc2)c1-c1ccccc1 ZINC000013575583 555514307 /nfs/dbraw/zinc/51/43/07/555514307.db2.gz WQVVFHBNNDWMJT-UHFFFAOYSA-N 1 0 473.584 5.427 50 0 JKAARO COc1ccc(CNc2[nH+]cc(-c3ccc(-c4ccccc4)cc3)n2C)cc1OCc1ccccc1 ZINC000009805833 555518091 /nfs/dbraw/zinc/51/80/91/555518091.db2.gz OAGTUDKZSQJTLD-UHFFFAOYSA-N 1 0 475.592 6.954 50 0 JKAARO CC(C)[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccc4ccccc4c3)=NN12 ZINC000013596300 555529122 /nfs/dbraw/zinc/52/91/22/555529122.db2.gz OSSRYHHLOGNMOO-RUZDIDTESA-N 1 0 490.445 6.346 50 0 JKAARO CCC[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccc4ccccc4c3)=NN12 ZINC000013598265 555529722 /nfs/dbraw/zinc/52/97/22/555529722.db2.gz KAPAJCOACWMDNF-VWLOTQADSA-N 1 0 490.445 6.348 50 0 JKAARO FC(F)(F)c1cc(-c2cccs2)nc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000019894415 555532197 /nfs/dbraw/zinc/53/21/97/555532197.db2.gz SKUAPYIRAHDXAN-UHFFFAOYSA-N 1 0 480.559 6.136 50 0 JKAARO Cc1cc(Oc2coc3cc(OC[C@@H](O)C[N@H+]4CCC[C@H](C)C4)ccc3c2=O)cc(C)c1Cl ZINC000009833278 555535583 /nfs/dbraw/zinc/53/55/83/555535583.db2.gz BDGUKDLRNQCGNZ-LPHOPBHVSA-N 1 0 471.981 5.327 50 0 JKAARO O[C@H](Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21)C[NH+]1CCN(CCc2ccccc2)CC1 ZINC000019908804 555536778 /nfs/dbraw/zinc/53/67/78/555536778.db2.gz FXOUHSZKPXSEEX-QHCPKHFHSA-N 1 0 482.455 5.323 50 0 JKAARO CCOc1ccc(CC[NH2+]C[C@@H]2[C@@H](Oc3ccc(Cl)cc3)C(=O)N2c2ccccc2C)cc1 ZINC000009835487 555540367 /nfs/dbraw/zinc/54/03/67/555540367.db2.gz NIVZDCGLAFIDKE-CLJLJLNGSA-N 1 0 464.993 5.042 50 0 JKAARO CSc1ccc(CC[NH2+]C[C@@H]2[C@@H](Oc3ccc(Cl)cc3)C(=O)N2c2ccccc2C)cc1 ZINC000009835467 555540443 /nfs/dbraw/zinc/54/04/43/555540443.db2.gz VRNTYKKUYIZYCO-JWQCQUIFSA-N 1 0 467.034 5.365 50 0 JKAARO CSc1ccc(CC[NH2+]C[C@H]2[C@H](Oc3ccc(Cl)cc3)C(=O)N2c2ccccc2C)cc1 ZINC000009835464 555540476 /nfs/dbraw/zinc/54/04/76/555540476.db2.gz VRNTYKKUYIZYCO-DQEYMECFSA-N 1 0 467.034 5.365 50 0 JKAARO CCOc1ccc(CC[NH2+]C[C@@H]2[C@H](Oc3ccc(Cl)cc3)C(=O)N2c2ccccc2C)cc1 ZINC000009835483 555540515 /nfs/dbraw/zinc/54/05/15/555540515.db2.gz NIVZDCGLAFIDKE-FTJBHMTQSA-N 1 0 464.993 5.042 50 0 JKAARO O=c1cc(-c2ccccc2)c2ccc3c(c2o1)CN(C1CC[NH+](Cc2ccccc2)CC1)CO3 ZINC000013629825 555541183 /nfs/dbraw/zinc/54/11/83/555541183.db2.gz VQNUXTZGOFKWBX-UHFFFAOYSA-N 1 0 452.554 5.277 50 0 biogenic JKAARO Clc1ccc(-c2c[nH+]c(NCc3cccc(OCc4ccccc4)c3)n2CCc2ccccc2)cc1 ZINC000009849640 555551762 /nfs/dbraw/zinc/55/17/62/555551762.db2.gz IQGWHPBOIUXNCD-UHFFFAOYSA-N 1 0 494.038 7.637 50 0 JKAARO CC(C)c1ccc([C@H]2C3=C(NCC[NH+]=C3c3ccc(Cl)cc3)C(=O)N2c2ccccc2)cc1 ZINC000019938749 555557201 /nfs/dbraw/zinc/55/72/01/555557201.db2.gz RZOPIMDXYGDQGE-MHZLTWQESA-N 1 0 455.989 5.898 50 0 JKAARO CC(C)[N@@H+]1CCc2c(sc(NC(=O)COc3ccc(Cl)cc3)c2-c2nc3ccccc3s2)C1 ZINC000019942361 555561228 /nfs/dbraw/zinc/56/12/28/555561228.db2.gz GCRRWXYJRPYVAB-UHFFFAOYSA-N 1 0 498.073 6.462 50 0 JKAARO Clc1ccc([C@@H](c2ccccc2Cl)n2nnnc2C2(NCc3ccccc3)CCCCC2)cc1 ZINC000009969701 555566345 /nfs/dbraw/zinc/56/63/45/555566345.db2.gz QHQBSEPBNNSUCX-VWLOTQADSA-N 1 0 492.454 6.567 50 0 JKAARO CC[C@H](C)[N@H+](CCNC(=O)Cn1nc(-c2ccccc2)c2cc(Cl)ccc21)C1CCCCC1 ZINC000009969934 555567260 /nfs/dbraw/zinc/56/72/60/555567260.db2.gz MDLBTAJEVHLEJJ-FQEVSTJZSA-N 1 0 467.057 5.906 50 0 JKAARO Brc1ccc2[nH]c3c(ncnc3N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c2c1 ZINC000020023708 555601743 /nfs/dbraw/zinc/60/17/43/555601743.db2.gz QLFAWWOCTIASNW-UHFFFAOYSA-N 1 0 498.428 5.785 50 0 JKAARO CCCC[NH+](CCCC)CCCNCc1cc(Br)ccc1OCc1ccc(Cl)cc1 ZINC000013733537 555605070 /nfs/dbraw/zinc/60/50/70/555605070.db2.gz HXXIAGXTPVNHIY-UHFFFAOYSA-N 1 0 495.933 7.063 50 0 JKAARO COc1ccc(Br)cc1C[N@@H+]1CCC[C@@H](C(=O)N2CCC(Cc3ccccc3)CC2)C1 ZINC000020037561 555611558 /nfs/dbraw/zinc/61/15/58/555611558.db2.gz DZMGSZPDWIUFGW-JOCHJYFZSA-N 1 0 485.466 5.151 50 0 JKAARO c1ccc2c(c1)CCC[C@H]2[NH+]1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc4c(c3)OCO4)=NN12 ZINC000013758038 555611562 /nfs/dbraw/zinc/61/15/62/555611562.db2.gz QIJHRSHWWHXCIW-KAYWLYCHSA-N 1 0 493.607 5.829 50 0 JKAARO CC[NH+](CC)CCN(C(=O)c1ccc2ncsc2c1)c1nc2c(s1)c(C)ccc2OC ZINC000010067281 555614402 /nfs/dbraw/zinc/61/44/02/555614402.db2.gz RJIZCNVBQXIJNU-UHFFFAOYSA-N 1 0 454.621 5.212 50 0 JKAARO CC[NH+](CC)CCCNc1nc(SC)nc2c3c4c(c(-c5ccccc5)nc3sc21)CCC4 ZINC000013776921 555616766 /nfs/dbraw/zinc/61/67/66/555616766.db2.gz VAFCWTZAZRCMCD-UHFFFAOYSA-N 1 0 477.703 6.261 50 0 JKAARO c1ccc2c(c1)CCC[C@@H]2[NH+]1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3cccnc3)=NN12 ZINC000013810818 555626095 /nfs/dbraw/zinc/62/60/95/555626095.db2.gz FMOLZDMHNHMWGD-RRPNLBNLSA-N 1 0 450.586 5.495 50 0 JKAARO CCCSc1nc2sc3c(c2c2nnc(SCC[NH+]4CCCCC4)n21)[C@H](C)CCC3 ZINC000013811114 555627141 /nfs/dbraw/zinc/62/71/41/555627141.db2.gz OENCTCLHKZTTCD-OAHLLOKOSA-N 1 0 461.726 5.859 50 0 JKAARO CSc1ccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2cccc(Cl)c2)N2NC=NC2=N3)cc1 ZINC000013811167 555627202 /nfs/dbraw/zinc/62/72/02/555627202.db2.gz RFQWMOLZZXBTES-ZEQRLZLVSA-N 1 0 458.974 5.866 50 0 JKAARO COc1ccc(Cl)cc1NC(=S)N(CCC[N@@H+]1CCC[C@H](C)C1)Cc1cccs1 ZINC000020107768 555641820 /nfs/dbraw/zinc/64/18/20/555641820.db2.gz OMBJEUIRKLNLOG-KRWDZBQOSA-N 1 0 452.089 5.731 50 0 JKAARO CCOc1ccc(C[NH+]2CCC(C(=O)N(CCc3ccccc3)Cc3ccccc3)CC2)cc1 ZINC000013896046 555643206 /nfs/dbraw/zinc/64/32/06/555643206.db2.gz FIWGTYWZCBXFTC-UHFFFAOYSA-N 1 0 456.630 5.569 50 0 JKAARO CC[NH+]1CCN(c2cc(C)c3cc(NC(=O)Cc4ccc(Cl)c(Cl)c4)ccc3n2)CC1 ZINC000020108641 555643767 /nfs/dbraw/zinc/64/37/67/555643767.db2.gz IKUBXUCJQADOPH-UHFFFAOYSA-N 1 0 457.405 5.173 50 0 JKAARO C[C@@H](CCc1ccccc1)N1C(=O)C2=C(CCCC2)[C@H]1OC1CC[NH+](Cc2ccccc2)CC1 ZINC000013896777 555644222 /nfs/dbraw/zinc/64/42/22/555644222.db2.gz AXGWTWRIKVAAQZ-YUDQIZAISA-N 1 0 458.646 5.728 50 0 JKAARO C[C@@H](CCc1ccccc1)N1C(=O)C2=C(CCCC2)[C@@H]1OC1CC[NH+](Cc2ccccc2)CC1 ZINC000013896771 555644273 /nfs/dbraw/zinc/64/42/73/555644273.db2.gz AXGWTWRIKVAAQZ-JHOBJCJYSA-N 1 0 458.646 5.728 50 0 JKAARO CC(C)c1ccc([C@H](O)CCC[NH+]2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000013910258 555646027 /nfs/dbraw/zinc/64/60/27/555646027.db2.gz FZSQPQGERLSIOR-SSEXGKCCSA-N 1 0 457.658 6.272 50 0 JKAARO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@H]3c1ccc(OC)c(COc2ccc(Cl)cc2Cl)c1 ZINC000020112065 555649271 /nfs/dbraw/zinc/64/92/71/555649271.db2.gz LSJSSUDZFWEASB-RUZDIDTESA-N 1 0 483.395 6.306 50 0 biogenic JKAARO O=C1c2ccccc2[C@@H](OC2CC[NH+](Cc3ccccc3)CC2)N1CCc1ccc(Cl)cc1 ZINC000013939929 555649876 /nfs/dbraw/zinc/64/98/76/555649876.db2.gz OQLWLGQLDPYKJK-MUUNZHRXSA-N 1 0 461.005 5.718 50 0 JKAARO CC(C)C[C@H](NC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000020116219 555653820 /nfs/dbraw/zinc/65/38/20/555653820.db2.gz BFVWKUGHDJGCEM-LNGGCWNSSA-N 1 0 493.736 5.147 50 0 JKAARO [NH2+]=C1Nc2nc3ccccc3n2[C@@H](c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)N1 ZINC000013945525 555657545 /nfs/dbraw/zinc/65/75/45/555657545.db2.gz VZTIJZIBDPUEON-MHZLTWQESA-N 1 0 475.552 5.691 50 0 JKAARO O=C(Nc1ccc(CSc2ccccc2)cc1)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000020149776 555665368 /nfs/dbraw/zinc/66/53/68/555665368.db2.gz KEBGKLFCQOGUEO-UHFFFAOYSA-N 1 0 464.634 6.790 50 0 JKAARO CCOC(=O)c1c(NC(=O)NCC2CC[NH+](Cc3ccc(Cl)cc3)CC2)sc2c1CCCC2 ZINC000020154078 555673443 /nfs/dbraw/zinc/67/34/43/555673443.db2.gz DZERVDWPHPYAEV-UHFFFAOYSA-N 1 0 490.069 5.491 50 0 JKAARO COc1cc(C[NH2+]CCCn2ccnc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000010314138 555679204 /nfs/dbraw/zinc/67/92/04/555679204.db2.gz XBDBOMVMONKUQL-UHFFFAOYSA-N 1 0 499.236 5.720 50 0 JKAARO CCOc1ccc(-c2nn(CN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c(=S)o2)cc1 ZINC000020177029 555682842 /nfs/dbraw/zinc/68/28/42/555682842.db2.gz DLNLDMPVDJYJGD-UHFFFAOYSA-N 1 0 486.641 5.636 50 0 JKAARO Brc1cccc(-c2nnc(CN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)o2)c1 ZINC000020177826 555683833 /nfs/dbraw/zinc/68/38/33/555683833.db2.gz SYRQWWRMYKQKGA-UHFFFAOYSA-N 1 0 489.417 5.406 50 0 JKAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc2c(c1)N=C(C)c1cc(Cl)ccc1S2 ZINC000020178870 555684418 /nfs/dbraw/zinc/68/44/18/555684418.db2.gz MMKYRXDOTIBSLZ-HXUWFJFHSA-N 1 0 456.055 6.330 50 0 JKAARO CCC1=Nc2cc(C(=O)NCCC[N@@H+]3CCc4ccccc4C3)ccc2Sc2ccc(C)cc21 ZINC000020178997 555684448 /nfs/dbraw/zinc/68/44/48/555684448.db2.gz JLUGCDDPLKMNBQ-UHFFFAOYSA-N 1 0 469.654 6.169 50 0 JKAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc2c(c1)N=C(C)c1cc(Cl)ccc1S2 ZINC000020178872 555684460 /nfs/dbraw/zinc/68/44/60/555684460.db2.gz MMKYRXDOTIBSLZ-FQEVSTJZSA-N 1 0 456.055 6.330 50 0 JKAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccc3c(c2)N(C)C(=O)/C(=C/c2cccc(Cl)c2)S3)C1 ZINC000020179887 555685823 /nfs/dbraw/zinc/68/58/23/555685823.db2.gz KUZDAWGVCLCHET-ZOLBUAMYSA-N 1 0 498.092 5.547 50 0 JKAARO CCCC[N@H+](CC)CCCNC(=O)CN1C(=O)/C(=C\c2cccc(Cl)c2)Sc2ccccc21 ZINC000020181080 555687569 /nfs/dbraw/zinc/68/75/69/555687569.db2.gz RMZVDHUPGQNWNS-HKOYGPOVSA-N 1 0 486.081 5.448 50 0 JKAARO C[C@H]1CCC[N@H+](CCCNC(=O)CN2C(=O)/C(=C\c3cccc(Cl)c3)Sc3ccccc32)C1 ZINC000020181107 555687954 /nfs/dbraw/zinc/68/79/54/555687954.db2.gz AASRPAGITDVGKH-JWGRYVKWSA-N 1 0 484.065 5.058 50 0 JKAARO Cc1ccc(/C=C2/Sc3ccccc3N(CC(=O)NCC[NH+](CC(C)C)CC(C)C)C2=O)cc1 ZINC000020181306 555688206 /nfs/dbraw/zinc/68/82/06/555688206.db2.gz IRWICEKMQZXDIR-WGOQTCKBSA-N 1 0 479.690 5.205 50 0 JKAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)CN1C(=O)/C(=C\c2ccc(Cl)cc2)Sc2ccccc21 ZINC000020181384 555688252 /nfs/dbraw/zinc/68/82/52/555688252.db2.gz QAQXPFGMTAOUNU-BOJFNEGLSA-N 1 0 498.092 5.591 50 0 JKAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)CN1C(=O)/C(=C\c2ccc(Cl)cc2)Sc2ccccc21 ZINC000020181381 555688331 /nfs/dbraw/zinc/68/83/31/555688331.db2.gz QAQXPFGMTAOUNU-RYEBZEHMSA-N 1 0 498.092 5.591 50 0 JKAARO C[N@H+](CCNC(=O)CN1C(=O)/C(=C\c2ccc(Cl)cc2)Sc2ccccc21)Cc1ccccc1 ZINC000020181395 555688570 /nfs/dbraw/zinc/68/85/70/555688570.db2.gz KUTFMNXNBCWVLV-KOEQRZSOSA-N 1 0 492.044 5.068 50 0 JKAARO CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000014121379 555694484 /nfs/dbraw/zinc/69/44/84/555694484.db2.gz KVWQKFXEDOCLSN-JOCHJYFZSA-N 1 0 462.421 5.372 50 0 JKAARO CCC[C@@H]([NH2+]Cc1ccc(OCc2ccc(Cl)cc2Cl)c(OCC)c1)c1ccccc1 ZINC000010435900 555709995 /nfs/dbraw/zinc/70/99/95/555709995.db2.gz QQNNLPPXTQWWEA-XMMPIXPASA-N 1 0 458.429 7.602 50 0 JKAARO [NH2+]=c1oc2c(cc3c4c2CCCN4CCC3)cc1C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000020237363 555731528 /nfs/dbraw/zinc/73/15/28/555731528.db2.gz XYBXXWYLSCUMMV-UHFFFAOYSA-N 1 0 451.526 5.656 50 0 JKAARO Cn1nc(-c2ccc(Cl)cc2)c2cc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)sc21 ZINC000020239217 555733388 /nfs/dbraw/zinc/73/33/88/555733388.db2.gz IUYGIGUQHBOKIN-UHFFFAOYSA-N 1 0 465.022 5.350 50 0 JKAARO Cc1oc(-c2cccc(Cl)c2)nc1C[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CCCc3ccccc32)C1 ZINC000020240988 555736541 /nfs/dbraw/zinc/73/65/41/555736541.db2.gz DURNCYDAOVCTLP-XUZZJYLKSA-N 1 0 464.009 5.709 50 0 JKAARO CCc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](C(=O)NCc4ccc(Cl)cc4)C3)c(C)o2)cc1 ZINC000020240919 555736547 /nfs/dbraw/zinc/73/65/47/555736547.db2.gz WMAVXUPHUAVQOJ-JOCHJYFZSA-N 1 0 451.998 5.394 50 0 JKAARO CCCCSCCCNC(=O)[C@H]1CCC[N@H+](Cc2nc(-c3ccc(CC)cc3)oc2C)C1 ZINC000020240946 555736555 /nfs/dbraw/zinc/73/65/55/555736555.db2.gz MZFZNOPAUPLXEC-QHCPKHFHSA-N 1 0 457.684 5.464 50 0 JKAARO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)c1cccc(OC)c1 ZINC000010917462 555747381 /nfs/dbraw/zinc/74/73/81/555747381.db2.gz HOZKWQQNIHEQBG-QFIPXVFZSA-N 1 0 486.037 5.475 50 0 JKAARO COc1cccc(C[NH2+][C@@H]2CCc3c(sc4ncn(Cc5cc6ccccc6s5)c(=O)c34)C2)c1 ZINC000020295004 555763229 /nfs/dbraw/zinc/76/32/29/555763229.db2.gz WFBBBABATRCDQN-LJQANCHMSA-N 1 0 487.650 5.377 50 0 JKAARO Cc1ccc(CN2CCSc3ccc(C(=O)NCCC[NH+]4[C@H](C)CCC[C@H]4C)cc32)cc1 ZINC000020355104 555782459 /nfs/dbraw/zinc/78/24/59/555782459.db2.gz NIXAFPMCJGRIMV-FGZHOGPDSA-N 1 0 451.680 5.490 50 0 JKAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(/C=C2/Oc3ccccc3N(Cc3cccc(C)c3)C2=O)cc1 ZINC000020355189 555782689 /nfs/dbraw/zinc/78/26/89/555782689.db2.gz KXTHRFIBIWNSHG-DYIFSOBNSA-N 1 0 495.623 5.176 50 0 JKAARO CC[NH+](CC)CCN(C(=O)c1cc2ccccc2cc1OC)c1nc2ccc(F)cc2s1 ZINC000011612417 555789834 /nfs/dbraw/zinc/78/98/34/555789834.db2.gz NWCMEBYXDVYBII-UHFFFAOYSA-N 1 0 451.567 5.586 50 0 JKAARO CCCOc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCC[NH+](CC)CC)cc1OC ZINC000011614728 555791211 /nfs/dbraw/zinc/79/12/11/555791211.db2.gz IKJOKODOGAJDSI-AREMUKBSSA-N 1 0 492.616 5.176 50 0 JKAARO C[C@@H]1CCC[N@H+](CCCNC(=O)[C@H]2c3ccccc3C(=O)N(C3CCCC3)[C@@H]2c2cccs2)C1 ZINC000020508690 555791985 /nfs/dbraw/zinc/79/19/85/555791985.db2.gz DEQKDFCJTIUWLK-RFLWCCGPSA-N 1 0 479.690 5.210 50 0 JKAARO CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)[C@H]1c1cccs1 ZINC000020508389 555792061 /nfs/dbraw/zinc/79/20/61/555792061.db2.gz JZXJENSQODVAJC-LHYMKVENSA-N 1 0 481.706 5.169 50 0 JKAARO CCc1ccc(NC(=O)N[C@@H](CCC(C)C)c2c3c(sc2-n2cccc2)C[N@@H+](C)CC3)cc1 ZINC000020532143 555799939 /nfs/dbraw/zinc/79/99/39/555799939.db2.gz ZHCQOZQSKJVUBU-QHCPKHFHSA-N 1 0 464.679 6.388 50 0 JKAARO Cc1cc(C)cc(NC(=O)N[C@H](CCC(C)C)c2c3c(sc2-n2cccc2)C[N@@H+](C)CC3)c1 ZINC000020532151 555800415 /nfs/dbraw/zinc/80/04/15/555800415.db2.gz UEGHOKCLJJXPKG-HSZRJFAPSA-N 1 0 464.679 6.443 50 0 JKAARO CCOc1ccc(NC(=O)N[C@@H](CCC(C)C)c2c3c(sc2-n2cccc2)C[N@@H+](C)CC3)cc1 ZINC000020532167 555800509 /nfs/dbraw/zinc/80/05/09/555800509.db2.gz WVKQDDLCRPSULR-QHCPKHFHSA-N 1 0 480.678 6.224 50 0 JKAARO Cc1ccc(Cl)cc1NC(=O)N[C@H](CCC(C)C)c1c2c(sc1-n1cccc1)C[N@@H+](C)CC2 ZINC000020532161 555800517 /nfs/dbraw/zinc/80/05/17/555800517.db2.gz XLUIAQNQOMKVGJ-OAQYLSRUSA-N 1 0 485.097 6.788 50 0 JKAARO COc1ccc(NC(=O)N[C@@H](CCC(C)C)c2c3c(sc2-n2cccc2)C[N@@H+](C)CC3)cc1 ZINC000020532163 555800520 /nfs/dbraw/zinc/80/05/20/555800520.db2.gz MAOCLLKCDGFUIZ-QFIPXVFZSA-N 1 0 466.651 5.834 50 0 JKAARO COc1ccc(NC(=O)N[C@@H](CCC(C)C)c2c3c(sc2-n2cccc2)C[N@@H+](C)CC3)c(OC)c1 ZINC000020532171 555800538 /nfs/dbraw/zinc/80/05/38/555800538.db2.gz HPTWROSYXOLXPS-QFIPXVFZSA-N 1 0 496.677 5.843 50 0 JKAARO CCc1ccc(NC(=O)N[C@H](CCC(C)C)c2c3c(sc2-n2cccc2)C[N@H+](CC)CC3)cc1 ZINC000020532187 555800779 /nfs/dbraw/zinc/80/07/79/555800779.db2.gz MOQBHJKTACHMBQ-XMMPIXPASA-N 1 0 478.706 6.778 50 0 JKAARO CC[N@@H+]1CCc2c(sc(-n3cccc3)c2[C@@H](CCC(C)C)NC(=O)Nc2cccc(OC)c2)C1 ZINC000020532185 555800828 /nfs/dbraw/zinc/80/08/28/555800828.db2.gz BLIJJXZCCXZTQF-HSZRJFAPSA-N 1 0 480.678 6.224 50 0 JKAARO CC[N@@H+]1CCc2c(sc(-n3cccc3)c2[C@@H](CCC(C)C)NC(=O)Nc2ccc(C)c(C)c2)C1 ZINC000020532191 555801079 /nfs/dbraw/zinc/80/10/79/555801079.db2.gz XSHYPKYSYHEEBF-XMMPIXPASA-N 1 0 478.706 6.833 50 0 JKAARO CC[N@@H+]1CCc2c(sc(-n3cccc3)c2[C@@H](CCC(C)C)NC(=O)NCc2ccc(C)cc2)C1 ZINC000020532209 555801230 /nfs/dbraw/zinc/80/12/30/555801230.db2.gz DHKOSQDIEVGQFP-XMMPIXPASA-N 1 0 478.706 6.202 50 0 JKAARO CC[N@@H+]1CCc2c(sc(-n3cccc3)c2[C@@H](C)NC(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000020532227 555801424 /nfs/dbraw/zinc/80/14/24/555801424.db2.gz WVECSKHINVWQHB-OAHLLOKOSA-N 1 0 459.015 5.462 50 0 JKAARO COc1cc(NC(=O)N(Cc2ccc(C)o2)C2CC[NH+](Cc3ccccc3)CC2)cc(OC)c1OC ZINC000020532298 555801665 /nfs/dbraw/zinc/80/16/65/555801665.db2.gz TVSXUPSWSGIISV-UHFFFAOYSA-N 1 0 493.604 5.313 50 0 JKAARO Cc1ccc(CN(C(=O)NC23CC4CC(CC(C4)C2)C3)C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000020532305 555801705 /nfs/dbraw/zinc/80/17/05/555801705.db2.gz ZZWYBPGHGUAULA-UHFFFAOYSA-N 1 0 461.650 5.733 50 0 JKAARO CCn1nc(C)c(C[NH+]2CCC([C@@H](Cc3ccccc3)N(C(=O)c3ccco3)C3CC3)CC2)c1C ZINC000011782867 555813664 /nfs/dbraw/zinc/81/36/64/555813664.db2.gz NESOUMTYNUXVCX-HHHXNRCGSA-N 1 0 474.649 5.241 50 0 JKAARO COCc1ccc(C[NH+]2CCC(c3nnc(SCC4CCCCC4)n3C[C@H]3CCCO3)CC2)o1 ZINC000011782874 555813707 /nfs/dbraw/zinc/81/37/07/555813707.db2.gz RCMWTNBZRILFHA-JOCHJYFZSA-N 1 0 488.698 5.249 50 0 JKAARO COc1ccccc1CNC(=O)[C@@H]1C[C@@H](Sc2nc3ccccc3[nH]2)C[N@@H+]1CC1CCCCC1 ZINC000011784866 555816450 /nfs/dbraw/zinc/81/64/50/555816450.db2.gz SQOOSHASQLJBCX-QPPBQGQZSA-N 1 0 478.662 5.003 50 0 JKAARO COc1cccc(C[C@H](C2CCN(C(=O)c3ccc(F)cc3Cl)CC2)[N@H+](C)Cc2ccccn2)c1 ZINC000011786203 555819359 /nfs/dbraw/zinc/81/93/59/555819359.db2.gz DXGMNDLXKWXKLT-HHHXNRCGSA-N 1 0 496.026 5.478 50 0 JKAARO C[C@@H](CNC(=O)c1ccc(C(F)(F)F)cc1)Oc1ccc(C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000011787927 555822247 /nfs/dbraw/zinc/82/22/47/555822247.db2.gz OPYRWGUIQCLEEF-NRFANRHFSA-N 1 0 497.561 5.225 50 0 JKAARO C[C@H](CNC(=O)c1ccc(C(F)(F)F)cc1)Oc1ccc(C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000011787928 555822269 /nfs/dbraw/zinc/82/22/69/555822269.db2.gz OPYRWGUIQCLEEF-OAQYLSRUSA-N 1 0 497.561 5.225 50 0 JKAARO CCO[C@H]1[C@H](NC(=O)CC)c2ccccc2C12CC[NH+](Cc1cccc(C(F)(F)F)c1)CC2 ZINC000011788065 555822539 /nfs/dbraw/zinc/82/25/39/555822539.db2.gz PPHJXMJXIQBGLX-RPWUZVMVSA-N 1 0 460.540 5.225 50 0 JKAARO CN(C(=O)c1cccs1)[C@@H](Cc1ccccc1)C1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000011813225 555828848 /nfs/dbraw/zinc/82/88/48/555828848.db2.gz KKQWVAZEHYHXAP-QHCPKHFHSA-N 1 0 462.615 5.072 50 0 JKAARO CC(C)=CCC[C@H](C)C[NH+]1CCC2(CC1)C(=O)N(Cc1cccnc1)C(=O)N2CCc1ccccc1 ZINC000014539671 555829640 /nfs/dbraw/zinc/82/96/40/555829640.db2.gz BUYORUMNKVKTKT-VWLOTQADSA-N 1 0 488.676 5.306 50 0 JKAARO CC(=O)N[C@@H]1c2ccccc2C2(CC[NH+](Cc3sccc3C)CC2)[C@H]1OCc1ccccc1 ZINC000011814659 555829892 /nfs/dbraw/zinc/82/98/92/555829892.db2.gz CVVYGHLOVFPKLX-SXOMAYOGSA-N 1 0 460.643 5.367 50 0 JKAARO O=C(NC1CCCCC1)[C@@H]1C[C@H](COc2cccc(C(F)(F)F)c2)C[N@@H+](Cc2ccncc2)C1 ZINC000014540339 555830470 /nfs/dbraw/zinc/83/04/70/555830470.db2.gz UVZTZASBEDEEJN-LEWJYISDSA-N 1 0 475.555 5.066 50 0 JKAARO CSc1ccc2cc(C[NH2+]Cc3cccc(C(F)(F)F)c3)c(=O)n(Cc3ccccn3)c2c1 ZINC000011838971 555832142 /nfs/dbraw/zinc/83/21/42/555832142.db2.gz QMCDIVOYENYBIE-UHFFFAOYSA-N 1 0 469.532 5.475 50 0 JKAARO CCN1C(=O)N(CCCc2cccnc2)C(=O)C12CC[NH+](Cc1ccc(-c3ccccc3C)cc1)CC2 ZINC000014542674 555833717 /nfs/dbraw/zinc/83/37/17/555833717.db2.gz ZPMKJOCFNOPJMS-UHFFFAOYSA-N 1 0 496.655 5.309 50 0 JKAARO Cc1nn(-c2cccc(Cl)c2C)c2nc(C)cc(C(=O)NCCC[N@@H+](C)Cc3ccccc3)c12 ZINC000020579128 555833851 /nfs/dbraw/zinc/83/38/51/555833851.db2.gz IMXWAKJTFOPBFU-UHFFFAOYSA-N 1 0 476.024 5.251 50 0 JKAARO COCCC[n+]1c2c(c(-c3ccccc3)c3c1/C(=C/c1ccccc1)CC3)CC/C2=C\c1ccccc1 ZINC000011851973 555835137 /nfs/dbraw/zinc/83/51/37/555835137.db2.gz XCVBTEMXZFMGGM-HJBHGHCOSA-N 1 0 484.663 7.651 50 0 JKAARO C(=C1\CCc2c1[n+](-c1ccccc1)c1c(c2-c2ccccc2)CC/C1=C\c1ccccc1)\c1ccccc1 ZINC000011851974 555835180 /nfs/dbraw/zinc/83/51/80/555835180.db2.gz QZYAHNJUPIPMSG-HESIJOAVSA-N 1 0 488.654 8.604 50 0 JKAARO O=C(NCCCN1CC[NH+](C2CCCCC2)CC1)c1cc(-c2ccccc2)c(N2CCCCC2)s1 ZINC000020597674 555839344 /nfs/dbraw/zinc/83/93/44/555839344.db2.gz YQGIQQMWZGGLMX-UHFFFAOYSA-N 1 0 494.749 5.476 50 0 JKAARO CC[C@H](C)[N@H+](CCNC(=O)c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2)Cc1ccco1 ZINC000020597934 555840162 /nfs/dbraw/zinc/84/01/62/555840162.db2.gz BLGLDDVWUIDYEW-FQEVSTJZSA-N 1 0 488.632 5.147 50 0 JKAARO O=C(Cc1ccc(NC(=O)N2CCCCc3ccccc32)cc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000020597968 555840216 /nfs/dbraw/zinc/84/02/16/555840216.db2.gz WEWOFGKWXITQQF-UHFFFAOYSA-N 1 0 474.649 5.081 50 0 JKAARO O=c1c2c(ncn1Cc1ccc(F)cc1)sc1c2CC[C@@H]([NH2+]Cc2cccc(C(F)(F)F)c2)C1 ZINC000020598644 555840585 /nfs/dbraw/zinc/84/05/85/555840585.db2.gz ZNUCXASWZGDLFQ-LJQANCHMSA-N 1 0 487.522 5.311 50 0 JKAARO CCOc1cc(C[NH+]2CCC([C@H](Cc3ccccc3F)N(C)C(=O)c3ccsc3)CC2)ccc1O ZINC000014992608 555842309 /nfs/dbraw/zinc/84/23/09/555842309.db2.gz SEPYOIWPMBDRDR-VWLOTQADSA-N 1 0 496.648 5.587 50 0 JKAARO COc1cccc(-n2c(SC[C@H]3CCCO3)nnc2C2CC[NH+](Cc3cccc(C)c3)CC2)c1 ZINC000014998391 555842937 /nfs/dbraw/zinc/84/29/37/555842937.db2.gz RFVXZRZALZBMOD-RUZDIDTESA-N 1 0 478.662 5.235 50 0 JKAARO C[N@H+](Cc1ccc(OCCNC(=O)[C@@H]2CCOC(C)(C)C2)cc1)Cc1cccc2ccccc21 ZINC000014999419 555843524 /nfs/dbraw/zinc/84/35/24/555843524.db2.gz MWWUEKFAMVCJRX-XMMPIXPASA-N 1 0 460.618 5.172 50 0 JKAARO CCn1cc(C[NH+]2CCC([C@H](Cc3ccccc3Cl)N(C)C(=O)c3ccco3)CC2)c(C)n1 ZINC000015000107 555844718 /nfs/dbraw/zinc/84/47/18/555844718.db2.gz JPQSPZXYRRZIHD-DEOSSOPVSA-N 1 0 469.029 5.053 50 0 JKAARO COc1ccccc1CCNC(=O)[C@H]1CC12CC[NH+](Cc1ccc(-c3ccccc3)cc1)CC2 ZINC000011868472 555845225 /nfs/dbraw/zinc/84/52/25/555845225.db2.gz CCRUUYDJSHKJRC-HHHXNRCGSA-N 1 0 454.614 5.323 50 0 JKAARO COc1ccc(NC(=O)COc2ccc(-c3cccs3)cc2C[NH+]2CCCC2)c(OC)c1 ZINC000015002917 555848002 /nfs/dbraw/zinc/84/80/02/555848002.db2.gz FLMPVGQSJKKWJV-UHFFFAOYSA-N 1 0 452.576 5.046 50 0 JKAARO CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)[C@H]1c1cccs1 ZINC000020904448 555849242 /nfs/dbraw/zinc/84/92/42/555849242.db2.gz DHCHYCBEEYGKTM-KSNOWIBYSA-N 1 0 467.679 5.066 50 0 JKAARO CCO[C@H]1[C@H](NC(=O)CC)c2ccccc2C12CC[NH+](Cc1c(C)cc(C)cc1-n1cccn1)CC2 ZINC000011881040 555849338 /nfs/dbraw/zinc/84/93/38/555849338.db2.gz VJGLSTFNLXHEJV-WDYNHAJCSA-N 1 0 486.660 5.009 50 0 JKAARO Cc1cccc(Cn2c3ccccc3nc2N2CCC(C(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)CC2)c1 ZINC000021159932 555850156 /nfs/dbraw/zinc/85/01/56/555850156.db2.gz AIRUJDWYWDUPHU-TZBSWOFLSA-N 1 0 458.650 5.550 50 0 JKAARO Cc1ccc(C)c(Cn2c3ccccc3nc2N2CCC(C(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)CC2)c1 ZINC000021159704 555850174 /nfs/dbraw/zinc/85/01/74/555850174.db2.gz HPRSFCAHJWHNRT-POGFHVCPSA-N 1 0 472.677 5.859 50 0 JKAARO CSc1ccc2cc(C[NH2+]C[C@@H]3COCCO3)c(OCc3cccc(C(F)(F)F)c3)nc2c1 ZINC000015009215 555853293 /nfs/dbraw/zinc/85/32/93/555853293.db2.gz JAPAXWDRWIOKFQ-HXUWFJFHSA-N 1 0 478.536 5.060 50 0 JKAARO COc1ccccc1[C@H](CNC(=O)c1cc(-c2ccc(Br)cc2)on1)[NH+]1CCC(C)CC1 ZINC000011905345 555853313 /nfs/dbraw/zinc/85/33/13/555853313.db2.gz KXJLNPLYEOWYLU-QFIPXVFZSA-N 1 0 498.421 5.316 50 0 JKAARO O=C(NC[C@@H](c1cccs1)[NH+]1CCCCCC1)c1cc(-c2ccc(Br)cc2)on1 ZINC000011905286 555853360 /nfs/dbraw/zinc/85/33/60/555853360.db2.gz NXBOPWZYVXVNJR-IBGZPJMESA-N 1 0 474.424 5.513 50 0 JKAARO COc1ccc(-c2cc(C(=O)NC[C@@H](c3ccc(Cl)cc3)[NH+]3CCCCCC3)no2)cc1 ZINC000011905412 555853446 /nfs/dbraw/zinc/85/34/46/555853446.db2.gz CLUAUNDZQROFHM-QHCPKHFHSA-N 1 0 453.970 5.351 50 0 JKAARO Fc1ccc(-c2csc3ncnc(NCCC[NH+]4CCN(c5ccc(F)cc5)CC4)c23)cc1 ZINC000021643049 555855541 /nfs/dbraw/zinc/85/55/41/555855541.db2.gz JSXSCQOMRJMTRY-UHFFFAOYSA-N 1 0 465.573 5.261 50 0 JKAARO Cc1occc1C(=O)N(C)[C@@H](Cc1ccccc1F)C1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000011909913 555857050 /nfs/dbraw/zinc/85/70/50/555857050.db2.gz PMHOACGZYLQCSR-SANMLTNESA-N 1 0 470.535 5.601 50 0 JKAARO CC[C@H]([NH2+]C1CCN(c2ccc(CC(=O)NCCc3cccc(F)c3)cc2)CC1)c1cccs1 ZINC000011913322 555862961 /nfs/dbraw/zinc/86/29/61/555862961.db2.gz QXFYSABUBRUBAT-SANMLTNESA-N 1 0 479.665 5.498 50 0 JKAARO CN(Cc1cccc2cccnc21)C(=O)c1cc2cc(C3(O)CC[NH+](Cc4ccco4)CC3)ccc2o1 ZINC000015067957 555867852 /nfs/dbraw/zinc/86/78/52/555867852.db2.gz FVENBGPCKMHZND-UHFFFAOYSA-N 1 0 495.579 5.330 50 0 JKAARO COC(=O)c1sc2nc(C[N@H+](C)[C@H](C)c3cccs3)ccc2c1NC(=O)c1ccc(C)cc1 ZINC000015067601 555867863 /nfs/dbraw/zinc/86/78/63/555867863.db2.gz LRTGZLMOULTZMX-MRXNPFEDSA-N 1 0 479.627 5.898 50 0 JKAARO C[N@H+](CCc1ccccc1)Cc1ccc(OC[C@H]2CCCN(C(=O)c3cccc(F)c3)C2)cc1 ZINC000015069526 555869474 /nfs/dbraw/zinc/86/94/74/555869474.db2.gz ZDGFDAVCRPRIOV-VWLOTQADSA-N 1 0 460.593 5.431 50 0 JKAARO CCc1ccc(C[NH+]2CCC(O)(c3ccc4oc(C(=O)Nc5ccccc5OC)cc4c3)CC2)cc1 ZINC000015071912 555870974 /nfs/dbraw/zinc/87/09/74/555870974.db2.gz QCYGIVMRKJMRAX-UHFFFAOYSA-N 1 0 484.596 5.740 50 0 JKAARO Cc1cc(Oc2coc3cc(OC[C@H](O)C[N@H+]4CCC[C@@H](C)C4)ccc3c2=O)cc(C)c1Cl ZINC000011990917 555877886 /nfs/dbraw/zinc/87/78/86/555877886.db2.gz BDGUKDLRNQCGNZ-VQIMIIECSA-N 1 0 471.981 5.327 50 0 JKAARO O=C(c1ccccn1)N([C@@H](Cc1ccccc1)C1CC[NH+](Cc2ccccc2Cl)CC1)C1CC1 ZINC000012000639 555882389 /nfs/dbraw/zinc/88/23/89/555882389.db2.gz LVTYKQPHMCQFHT-NDEPHWFRSA-N 1 0 474.048 5.863 50 0 JKAARO COc1cc(C[NH+]2CCC([C@H](Cc3ccccc3)N(C(=O)c3ccco3)C3CC3)CC2)ccc1F ZINC000012037181 555890326 /nfs/dbraw/zinc/89/03/26/555890326.db2.gz JTDSMVVARPYUJI-SANMLTNESA-N 1 0 476.592 5.555 50 0 JKAARO COc1cccc(C[NH+]2CCC([C@H](Cc3ccccc3Cl)N(C)C(=O)c3ccco3)CC2)c1 ZINC000012037993 555891060 /nfs/dbraw/zinc/89/10/60/555891060.db2.gz DSCHPUFRHORVHI-VWLOTQADSA-N 1 0 467.009 5.537 50 0 JKAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)CSc1nc2ccccc2n1-c1ccccc1 ZINC000015276106 555891950 /nfs/dbraw/zinc/89/19/50/555891950.db2.gz VIXAARUGCWVACW-WIOPSUGQSA-N 1 0 468.626 5.261 50 0 JKAARO COc1ccc(NC(=O)[C@@H]2CC23CC[NH+](Cc2ccccc2C(F)(F)F)CC3)cc1Cl ZINC000012039464 555892174 /nfs/dbraw/zinc/89/21/74/555892174.db2.gz CTNDNSQHLUOFKV-SFHVURJKSA-N 1 0 452.904 5.608 50 0 JKAARO O=C(OC[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc2nc(-c3cccs3)cc(C(F)(F)Cl)n2n1 ZINC000015276565 555892382 /nfs/dbraw/zinc/89/23/82/555892382.db2.gz OFMRCMZEVATFDR-PBHICJAKSA-N 1 0 480.968 5.167 50 0 JKAARO COc1ccc(C[NH+]2CCC([C@H](Cc3ccccc3)N(C)C(=O)c3cccs3)CC2)c(F)c1 ZINC000012039988 555892571 /nfs/dbraw/zinc/89/25/71/555892571.db2.gz CPKLCKLJLMTIRN-VWLOTQADSA-N 1 0 466.622 5.491 50 0 JKAARO Cc1ccc(C[NH+]2CCC(O)(c3ccc4oc(C(=O)N5CCc6ccccc6C5)cc4c3)CC2)o1 ZINC000012040481 555893153 /nfs/dbraw/zinc/89/31/53/555893153.db2.gz YYCLYYSSAKIRBC-UHFFFAOYSA-N 1 0 470.569 5.016 50 0 JKAARO COC(=O)c1ccc(C[NH+]2CCC3(C[C@H]3C(=O)NCCC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000012040513 555893224 /nfs/dbraw/zinc/89/32/24/555893224.db2.gz PKTWVVAGQWMQJI-LJAQVGFWSA-N 1 0 496.651 5.414 50 0 JKAARO C/C=C(\C)C[NH+]1CCC(O)(c2ccc3oc(C(=O)N(C)Cc4ccc5ncccc5c4)cc3c2)CC1 ZINC000012040656 555893255 /nfs/dbraw/zinc/89/32/55/555893255.db2.gz QUWUAYBNQPAILO-IPBDZQFASA-N 1 0 483.612 5.503 50 0 JKAARO COc1cccc(CCN2C(=O)CC[C@@H]3C[N@@H+](Cc4ccc(-c5ccccc5Cl)o4)CC[C@@H]32)c1 ZINC000012079305 555902773 /nfs/dbraw/zinc/90/27/73/555902773.db2.gz DMJXLXJYYGILAN-RLWLMLJZSA-N 1 0 479.020 5.664 50 0 JKAARO C[N@H+](Cc1cccc(OCC[C@@H]2CCCCN2C(=O)C2CC2)c1)Cc1cccc2cccnc21 ZINC000012099046 555906362 /nfs/dbraw/zinc/90/63/62/555906362.db2.gz KTCZOWLEOKMGQP-SANMLTNESA-N 1 0 457.618 5.427 50 0 JKAARO COc1cc(C[NH+]2CCC([C@@H](Cc3ccccc3)N(C)C(=O)c3cccs3)CC2)cc(OC)c1 ZINC000012099896 555907382 /nfs/dbraw/zinc/90/73/82/555907382.db2.gz AFURXSXDBNNEGN-AREMUKBSSA-N 1 0 478.658 5.361 50 0 JKAARO C[NH+](C)CCCN(C(=O)c1nc2ccccc2s1)c1nc2ccc(Br)cc2s1 ZINC000012140950 555920146 /nfs/dbraw/zinc/92/01/46/555920146.db2.gz OHQWLZJKNZGTCF-UHFFFAOYSA-N 1 0 475.437 5.267 50 0 JKAARO COc1ccc(OC)c2sc(N(CCC[NH+](C)C)C(=O)c3cc(Cl)sc3Cl)nc21 ZINC000012141019 555920626 /nfs/dbraw/zinc/92/06/26/555920626.db2.gz PXFXLHDECYRXKL-UHFFFAOYSA-N 1 0 474.435 5.280 50 0 JKAARO C[N@@H+]1CCC[C@@H](COc2cc(-c3cccc(Cl)c3)cc3c2OCCN(C(=O)c2ccccn2)C3)C1 ZINC000012150138 555922098 /nfs/dbraw/zinc/92/20/98/555922098.db2.gz ZNTOCGWHQGSSLO-HXUWFJFHSA-N 1 0 492.019 5.157 50 0 JKAARO O=C(c1cc2cc(C3(O)CC[NH+](Cc4ccsc4)CC3)ccc2o1)N1CCc2ccccc2C1 ZINC000012150004 555922128 /nfs/dbraw/zinc/92/21/28/555922128.db2.gz VSUARWDRKKBGMW-UHFFFAOYSA-N 1 0 472.610 5.176 50 0 JKAARO COc1cccc(Cn2c(=O)c(C[N@H+](C)[C@@H](C)c3cc(-c4ccccc4)n[nH]3)cc3ccc(F)cc32)c1 ZINC000012151084 555923473 /nfs/dbraw/zinc/92/34/73/555923473.db2.gz DZAFXIGXRYZSFC-FQEVSTJZSA-N 1 0 496.586 5.781 50 0 JKAARO CC(C)C[N@@H+]1C[C@@H](Sc2nc3ccccc3[nH]2)C[C@H]1C(=O)N(C)Cc1cc2ccccc2s1 ZINC000012151204 555923818 /nfs/dbraw/zinc/92/38/18/555923818.db2.gz HXFJWQSVXUSWGN-REWPJTCUSA-N 1 0 478.687 5.627 50 0 JKAARO C[N@H+](Cc1ccc(OC2CCN(C(=O)/C=C/c3cccs3)CC2)cc1)Cc1ccc2ncccc2c1 ZINC000012152437 555926434 /nfs/dbraw/zinc/92/64/34/555926434.db2.gz IADCWLLZVQYFNW-ACCUITESSA-N 1 0 497.664 6.012 50 0 JKAARO Fc1ccccc1C[NH+]1CCC(c2nnc(SCc3cccnc3)n2Cc2ccccc2)CC1 ZINC000012152843 555927013 /nfs/dbraw/zinc/92/70/13/555927013.db2.gz GOZQKAXDHFOBFT-UHFFFAOYSA-N 1 0 473.621 5.532 50 0 JKAARO C[C@]1(C(=O)NC2CCCCCCC2)Cn2c3ccsc3cc2C(=O)N1CC[NH+]1CCCCCC1 ZINC000015672923 555930776 /nfs/dbraw/zinc/93/07/76/555930776.db2.gz NHRAWLLTGVLTFO-HHHXNRCGSA-N 1 0 484.710 5.022 50 0 JKAARO CCCC[N@H+](CC)CCN1C(=O)c2cc3sccc3n2C[C@@]1(C)C(=O)NC1CCCCCCC1 ZINC000015672925 555930798 /nfs/dbraw/zinc/93/07/98/555930798.db2.gz CAJRGJBWVOBYKZ-MHZLTWQESA-N 1 0 486.726 5.268 50 0 JKAARO CCc1cc2c(cc3n2C[C@@](C)(C(=O)NC2CCCCC2)N(CC[N@H+](C)C2CCCCC2)C3=O)s1 ZINC000015673239 555932064 /nfs/dbraw/zinc/93/20/64/555932064.db2.gz UIJKTELPEHVNNU-NDEPHWFRSA-N 1 0 498.737 5.193 50 0 JKAARO O=C(CCc1ccc2c(c1)OCO2)N1CCC[C@@H]2C[N@H+](Cc3cc4ccccc4s3)CC[C@@H]21 ZINC000012164282 555932247 /nfs/dbraw/zinc/93/22/47/555932247.db2.gz KQUIIMCTWUPQNF-GGAORHGYSA-N 1 0 462.615 5.076 50 0 JKAARO Cc1cc(C(=O)N2CCC[C@@H](COc3ccc(C[NH+]4CCC(c5ccccc5)CC4)cc3)C2)n(C)n1 ZINC000012164416 555932252 /nfs/dbraw/zinc/93/22/52/555932252.db2.gz BFYOXINQNCLZGJ-RUZDIDTESA-N 1 0 486.660 5.039 50 0 JKAARO C[N@H+](CCCN1C(=O)c2cc3occc3n2C[C@@]1(C)C(=O)NC1CCCCCCC1)C1CCCCC1 ZINC000015675665 555934278 /nfs/dbraw/zinc/93/42/78/555934278.db2.gz ZASWSVJJXYDRTJ-LJAQVGFWSA-N 1 0 496.696 5.333 50 0 JKAARO COc1cccc(-n2c(SC[C@H]3CCCO3)nnc2C2CC[NH+](Cc3ccc(C)s3)CC2)c1 ZINC000012185037 555936414 /nfs/dbraw/zinc/93/64/14/555936414.db2.gz AGZGACPMXXKKKL-JOCHJYFZSA-N 1 0 484.691 5.297 50 0 JKAARO Cc1cnc(SCc2ccccn2)nc1[C@@H]1CCC[N@@H+](C[C@@H](C)Cc2ccc3c(c2)OCO3)C1 ZINC000012211390 555943025 /nfs/dbraw/zinc/94/30/25/555943025.db2.gz JZLXKIVUIFRQGM-SIKLNZKXSA-N 1 0 476.646 5.259 50 0 JKAARO C[C@]1(C(=O)NC2CCCCCCC2)Cn2c(-c3ccco3)ccc2C(=O)N1CC[NH+]1CCCCCC1 ZINC000015678261 555943365 /nfs/dbraw/zinc/94/33/65/555943365.db2.gz XSOZDEKSBALUFE-GDLZYMKVSA-N 1 0 494.680 5.068 50 0 JKAARO Cc1ccccc1Cn1cc(CCC(=O)NCCC[N@@H+](C)Cc2ccccc2)c2ccccc21 ZINC000015678414 555943590 /nfs/dbraw/zinc/94/35/90/555943590.db2.gz FFALSUZVVKRQLC-UHFFFAOYSA-N 1 0 453.630 5.569 50 0 JKAARO Cc1ccn(CCC(=O)N(CC[NH+](C)C)Cc2cc3cc4c(cc3nc2-c2cccc(C)c2)CCC4)n1 ZINC000012242870 555945812 /nfs/dbraw/zinc/94/58/12/555945812.db2.gz OIWLGZQYWQXMAE-UHFFFAOYSA-N 1 0 495.671 5.184 50 0 JKAARO COc1cccc(-n2c(SC[C@@H]3CCCO3)nnc2C2CC[NH+](CCCc3ccccc3)CC2)c1 ZINC000012242847 555945859 /nfs/dbraw/zinc/94/58/59/555945859.db2.gz WEDIKEYAXMKAAS-SANMLTNESA-N 1 0 492.689 5.359 50 0 JKAARO Cc1cccc(NC(=O)N(Cc2ccc3c(c2)OCO3)C2CC[NH+](Cc3ccccc3)CC2)c1C ZINC000015679712 555946611 /nfs/dbraw/zinc/94/66/11/555946611.db2.gz QRXUPTBGYZXEJZ-UHFFFAOYSA-N 1 0 471.601 5.731 50 0 JKAARO C[C@@H](Cc1cccnc1)[NH2+]C1CCN(c2ccc(NC(=O)Cc3cccc(Cl)c3)cc2)CC1 ZINC000012243257 555946723 /nfs/dbraw/zinc/94/67/23/555946723.db2.gz PIIFCGSDLVXFQP-FQEVSTJZSA-N 1 0 463.025 5.106 50 0 JKAARO Cc1oc(-c2ccc(C(=O)NCCC[N@H+]3CCCC[C@H]3C)cc2)nc1CSc1ccc(C)cc1 ZINC000015682196 555951551 /nfs/dbraw/zinc/95/15/51/555951551.db2.gz UDEGCAQKDNTEQR-OAQYLSRUSA-N 1 0 477.674 6.245 50 0 JKAARO CC[C@H](C)c1ccccc1OC[C@@H](O)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022836256 555956206 /nfs/dbraw/zinc/95/62/06/555956206.db2.gz WARWMTJSACPRBM-IGKIAQTJSA-N 1 0 458.646 5.347 50 0 JKAARO CC[NH+](CC)CCN(C(=O)c1cc2ccccc2oc1=O)c1nc2c(s1)c(Cl)ccc2OC ZINC000012345268 555956312 /nfs/dbraw/zinc/95/63/12/555956312.db2.gz KWKAUABRTIKBLI-UHFFFAOYSA-N 1 0 485.993 5.053 50 0 JKAARO Clc1ncc(COc2ccccc2CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)s1 ZINC000022913614 555968995 /nfs/dbraw/zinc/96/89/95/555968995.db2.gz HZQFMLJUDJLREF-UHFFFAOYSA-N 1 0 490.072 6.283 50 0 JKAARO C[C@](C[NH2+]C(c1ccccc1)c1ccccc1)(NS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000012383515 555971590 /nfs/dbraw/zinc/97/15/90/555971590.db2.gz ZAJOSUSKKUEFRA-MUUNZHRXSA-N 1 0 456.611 5.260 50 0 JKAARO C[C@H](C(=O)Nc1cccc(Cl)c1Cl)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022920387 555974093 /nfs/dbraw/zinc/97/40/93/555974093.db2.gz LSBVAXLCHHEOJD-LJQANCHMSA-N 1 0 468.428 5.728 50 0 JKAARO Cc1ccc(C(C)C)c(OC[C@H](O)CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000022923000 555976081 /nfs/dbraw/zinc/97/60/81/555976081.db2.gz ZVUGPMKBUOXJRP-HHHXNRCGSA-N 1 0 458.646 5.265 50 0 JKAARO CC1(C)O[C@]2(CC[C@@H]3[C@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@@]32C)CN1C(=O)CSC1=[NH+]CCN1 ZINC000012402485 555976426 /nfs/dbraw/zinc/97/64/26/555976426.db2.gz FJIROWAKFHDSJC-HEKVMWRDSA-N 1 0 487.754 5.445 50 0 biogenic JKAARO O[C@@H](COC(c1ccccc1)c1ccccc1)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022924879 555976906 /nfs/dbraw/zinc/97/69/06/555976906.db2.gz IPYZWZOSRVLJDW-WJOKGBTCSA-N 1 0 492.663 5.561 50 0 JKAARO CCC(C)(C)c1ccc(OC[C@H](O)CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000022925033 555977428 /nfs/dbraw/zinc/97/74/28/555977428.db2.gz YFFVLLSZGQTQSY-MUUNZHRXSA-N 1 0 472.673 5.521 50 0 JKAARO COc1ccc([C@@H](C[NH2+]Cc2ccc(OCc3csc(C)n3)c(OC)c2)N2CCCCC2)cc1 ZINC000022928669 555979727 /nfs/dbraw/zinc/97/97/27/555979727.db2.gz DXDBVCJNGBXYQX-RUZDIDTESA-N 1 0 481.662 5.365 50 0 JKAARO CC[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C2CCN(c3ccc(-c4cccs4)nn3)CC2)o1 ZINC000015734909 555980736 /nfs/dbraw/zinc/98/07/36/555980736.db2.gz BCBHQWZNXSNNJI-OAQYLSRUSA-N 1 0 493.677 5.095 50 0 JKAARO COC(=O)c1ccc(C[NH+]2CCC(c3nc(-c4ccncc4)ncc3-c3cccc(C)c3)CC2)cc1 ZINC000012450535 555980854 /nfs/dbraw/zinc/98/08/54/555980854.db2.gz FVHRXRFBRBDVJZ-UHFFFAOYSA-N 1 0 478.596 5.680 50 0 JKAARO Cc1ccsc1C[NH+]1CCC(O)(c2ccc3oc(C(=O)NCCc4ccccc4F)cc3c2)CC1 ZINC000012455722 555981287 /nfs/dbraw/zinc/98/12/87/555981287.db2.gz RCWUXIUEBYSREW-UHFFFAOYSA-N 1 0 492.616 5.398 50 0 JKAARO Cc1sc(NC(=O)c2ccco2)c([C@H](c2cccc(C(F)(F)F)c2)[N@@H+]2C[C@H](C)C[C@H](C)C2)c1C ZINC000012485567 555987593 /nfs/dbraw/zinc/98/75/93/555987593.db2.gz YIYHGBBJAPVMAK-PXAQALGRSA-N 1 0 490.591 7.296 50 0 JKAARO O[C@@H](COc1ccc(Cl)cc1Cl)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022942452 555992584 /nfs/dbraw/zinc/99/25/84/555992584.db2.gz ITJVTCKCBYZQEQ-HSZRJFAPSA-N 1 0 471.428 5.140 50 0 JKAARO COc1cc([C@H]2[NH2+]C[C@@H](c3ccc(Cl)cc3Cl)c3c4ccccc4[nH]c32)ccc1OCC(C)C ZINC000012529255 555998800 /nfs/dbraw/zinc/99/88/00/555998800.db2.gz FXJIUWCWFITSLG-KDYSTLNUSA-N 1 0 495.450 7.343 50 0 JKAARO Cc1nn(-c2ccccc2)c2c1-c1sc(C(=O)N3CCC([NH+]4CCCCC4)CC3)cc1CC2 ZINC000015781662 556000758 /nfs/dbraw/zinc/00/07/58/556000758.db2.gz WVNTXQGSGSDAOY-UHFFFAOYSA-N 1 0 460.647 5.098 50 0 JKAARO CC(C)(c1ccccc1)c1ccc(OC[C@@H](O)C[NH2+]C2CCN(Cc3ccccc3)CC2)cc1 ZINC000012537760 556010822 /nfs/dbraw/zinc/01/08/22/556010822.db2.gz SBGMRNAVKRJHLG-NDEPHWFRSA-N 1 0 458.646 5.006 50 0 JKAARO O=C(C1CC[NH+](Cc2cc3ccccc3n2Cc2ccccc2Cl)CC1)N1CCCCC1 ZINC000015825910 556013480 /nfs/dbraw/zinc/01/34/80/556013480.db2.gz QKISLUZOXYRZLU-UHFFFAOYSA-N 1 0 450.026 5.568 50 0 JKAARO COc1ccc(-c2nc3ccc(C(=O)NCC[NH+]4CCCCC4)cc3nc2-c2ccc(OC)cc2)cc1 ZINC000015827600 556014938 /nfs/dbraw/zinc/01/49/38/556014938.db2.gz VIXMGDNTYCWZCL-UHFFFAOYSA-N 1 0 496.611 5.197 50 0 JKAARO COc1ccc(-c2nc3ccc(C(=O)NCCC[NH+]4CCCC4)cc3nc2-c2ccc(OC)cc2)cc1 ZINC000015827598 556014997 /nfs/dbraw/zinc/01/49/97/556014997.db2.gz KVIJNOIQOWSUKZ-UHFFFAOYSA-N 1 0 496.611 5.197 50 0 biogenic JKAARO COc1cc2cc(C[NH2+]Cc3ccccc3Cl)c(=O)n(CC3CCCCC3)c2cc1OC ZINC000023129197 556018491 /nfs/dbraw/zinc/01/84/91/556018491.db2.gz KYEYHPYFBYHEBJ-UHFFFAOYSA-N 1 0 454.998 5.542 50 0 JKAARO COc1ccc(C[NH+]2CCC(C(=O)N(CCc3ccccc3)Cc3ccccc3)CC2)c(OC)c1 ZINC000015856047 556024178 /nfs/dbraw/zinc/02/41/78/556024178.db2.gz TWAZSRQSSTXKSC-UHFFFAOYSA-N 1 0 472.629 5.187 50 0 JKAARO CC(C)[N@@H+]1CCc2c(sc(NC(=O)c3ccc(Cl)s3)c2-c2nc3ccccc3s2)C1 ZINC000023153872 556024840 /nfs/dbraw/zinc/02/48/40/556024840.db2.gz YWISPIQORVDCGC-UHFFFAOYSA-N 1 0 474.076 6.759 50 0 JKAARO Cc1ccccc1NC(=S)N[C@H](C)[C@H](c1cccs1)[NH+]1CCN(c2ccccc2)CC1 ZINC000023182360 556028300 /nfs/dbraw/zinc/02/83/00/556028300.db2.gz KLRYYPFPEJKYTF-HYBUGGRVSA-N 1 0 450.677 5.295 50 0 JKAARO Cc1ccccc1NC(=S)N[C@H](C)[C@@H](c1cccs1)[NH+]1CCN(c2ccccc2)CC1 ZINC000023182367 556028406 /nfs/dbraw/zinc/02/84/06/556028406.db2.gz KLRYYPFPEJKYTF-YKSBVNFPSA-N 1 0 450.677 5.295 50 0 JKAARO Cc1cccc(NC(=S)N[C@H](C)[C@@H](c2cccs2)[NH+]2CCN(c3ccccc3)CC2)c1C ZINC000023182381 556028747 /nfs/dbraw/zinc/02/87/47/556028747.db2.gz XCYJSGVPIHWUHR-BWKNWUBXSA-N 1 0 464.704 5.603 50 0 JKAARO COc1ccc([C@@H](CNC(=O)c2ccccc2OCc2ccc(Cl)cc2Cl)[NH+]2CCCC2)cc1 ZINC000012549306 556028865 /nfs/dbraw/zinc/02/88/65/556028865.db2.gz YOZQECCBSVRJRA-RUZDIDTESA-N 1 0 499.438 6.148 50 0 JKAARO COc1cccc([C@@H](c2oc3ccccc3c2NC(=O)c2ccco2)[NH+]2CCCCC2)c1OC ZINC000015859356 556029419 /nfs/dbraw/zinc/02/94/19/556029419.db2.gz VTVDHGVWCRHBTF-DEOSSOPVSA-N 1 0 460.530 5.871 50 0 JKAARO CC1CC[NH+]([C@H](c2oc3ccccc3c2NC(=O)c2cccs2)c2ccc(Cl)cc2)CC1 ZINC000015859387 556029652 /nfs/dbraw/zinc/02/96/52/556029652.db2.gz XUSFKOJGACCYSS-DEOSSOPVSA-N 1 0 465.018 7.221 50 0 JKAARO COc1ccc([C@@H](c2oc3ccccc3c2NC(=O)c2cccs2)[NH+]2CCC(C)CC2)cc1 ZINC000015859376 556029688 /nfs/dbraw/zinc/02/96/88/556029688.db2.gz FXZASRCFUJAURZ-VWLOTQADSA-N 1 0 460.599 6.577 50 0 JKAARO CSc1ccc([C@H](c2oc3ccccc3c2NC(=O)c2cccs2)[NH+]2CCCCC2)cc1 ZINC000015859419 556029775 /nfs/dbraw/zinc/02/97/75/556029775.db2.gz AQGSVSXJYXKBSV-XMMPIXPASA-N 1 0 462.640 7.044 50 0 JKAARO COc1cccc([C@@H](c2oc3ccccc3c2NC(=O)c2ccccc2)[NH+]2CCC(C)CC2)c1OC ZINC000015859554 556030439 /nfs/dbraw/zinc/03/04/39/556030439.db2.gz MAKRIPBJMIGLNJ-MHZLTWQESA-N 1 0 484.596 6.524 50 0 JKAARO Cc1ccc(C(=O)Nc2c3ccccc3oc2[C@@H](c2ccc(Cl)cc2)[NH+]2CCCCC2)cc1 ZINC000015859584 556030741 /nfs/dbraw/zinc/03/07/41/556030741.db2.gz IHELGTVOLMBPCG-AREMUKBSSA-N 1 0 458.989 7.222 50 0 JKAARO CSc1ccc([C@@H](c2oc3ccccc3c2NC(=O)c2ccc(C)cc2)[NH+]2CCCCC2)cc1 ZINC000015859608 556030753 /nfs/dbraw/zinc/03/07/53/556030753.db2.gz ATFDVIYFALDJMO-MHZLTWQESA-N 1 0 470.638 7.291 50 0 JKAARO CSc1ccc([C@@H](c2oc3ccccc3c2NC(=O)c2ccc(C)cc2)[NH+]2CCC(C)CC2)cc1 ZINC000015859612 556030772 /nfs/dbraw/zinc/03/07/72/556030772.db2.gz VWZVSUWAKXOFEX-NDEPHWFRSA-N 1 0 484.665 7.537 50 0 JKAARO CSc1ccc([C@H](c2oc3ccccc3c2NC(=O)c2ccc(C)cc2)[NH+]2CCCCC2)cc1 ZINC000015859607 556030778 /nfs/dbraw/zinc/03/07/78/556030778.db2.gz ATFDVIYFALDJMO-HHHXNRCGSA-N 1 0 470.638 7.291 50 0 JKAARO CSc1ccc([C@H](c2oc3ccccc3c2NC(=O)c2ccc(C)cc2)[NH+]2CCC(C)CC2)cc1 ZINC000015859611 556030786 /nfs/dbraw/zinc/03/07/86/556030786.db2.gz VWZVSUWAKXOFEX-MUUNZHRXSA-N 1 0 484.665 7.537 50 0 JKAARO COc1ccc(C[NH+]2CCC(O)(c3ccc(Br)cc3)CC2)cc1OCc1ccccc1 ZINC000023282038 556037886 /nfs/dbraw/zinc/03/78/86/556037886.db2.gz BBKJTEPFLNSUGG-UHFFFAOYSA-N 1 0 482.418 5.520 50 0 JKAARO O=C(c1cccc(Nc2cc(-c3ccc(F)cc3)ncn2)c1)N1CCC([NH+]2CCCCC2)CC1 ZINC000015863502 556037895 /nfs/dbraw/zinc/03/78/95/556037895.db2.gz WMBDKFGBWCLZSH-UHFFFAOYSA-N 1 0 459.569 5.117 50 0 JKAARO Cc1ccc(C)c(N2CC[NH+](CCCNc3ncnc4scc(-c5ccc(Cl)cc5)c43)CC2)c1 ZINC000015864922 556040745 /nfs/dbraw/zinc/04/07/45/556040745.db2.gz JIBIGWDQOXOEET-UHFFFAOYSA-N 1 0 492.092 6.253 50 0 JKAARO CCc1c(C)sc2c1CC[N@H+](Cc1nc(-c3ccc(C(C)C)cc3)oc1C)[C@@H]2c1ccccc1 ZINC000015864885 556040851 /nfs/dbraw/zinc/04/08/51/556040851.db2.gz ADVSERGAZHECHV-MUUNZHRXSA-N 1 0 470.682 7.853 50 0 JKAARO CCN(c1ccccc1)S(=O)(=O)c1cc(NC(=O)C[NH2+][C@H]2CCCc3ccccc32)ccc1Cl ZINC000012555701 556041278 /nfs/dbraw/zinc/04/12/78/556041278.db2.gz NWYUTTDVSKOYFF-DEOSSOPVSA-N 1 0 498.048 5.161 50 0 JKAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)[nH]n2)cc1 ZINC000023334486 556044115 /nfs/dbraw/zinc/04/41/15/556044115.db2.gz NLKJGPJOCURPKM-QGZVFWFLSA-N 1 0 473.448 6.291 50 0 JKAARO CC(=O)Nc1ccc(-c2cc(C(=O)N3CCC([NH+]4CCCCC4)CC3)c3cc(C)ccc3n2)cc1 ZINC000015868444 556045418 /nfs/dbraw/zinc/04/54/18/556045418.db2.gz QVCSFWHIQDBNPA-UHFFFAOYSA-N 1 0 470.617 5.259 50 0 JKAARO CC[NH+](CC)CCC[C@H](C)NC(=O)c1ccc(-c2cc(-c3ccc(N4CCCCC4)cc3)n[nH]2)cc1 ZINC000023336181 556045788 /nfs/dbraw/zinc/04/57/88/556045788.db2.gz SXGRLJCXSRVWSI-QHCPKHFHSA-N 1 0 487.692 5.974 50 0 JKAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(-c2cc(-c3ccc(N4CCCCC4)cc3)n[nH]2)cc1 ZINC000023336278 556046128 /nfs/dbraw/zinc/04/61/28/556046128.db2.gz DUYJKUYYIJXJPP-QHCPKHFHSA-N 1 0 485.676 5.728 50 0 JKAARO CC(C)=CCC/C(C)=C/CNC(=O)c1cc(N2CC[NH+](Cc3ccccc3)CC2)nc2ccccc21 ZINC000023336358 556046154 /nfs/dbraw/zinc/04/61/54/556046154.db2.gz XFOZDZORFKFIJC-PCLIKHOPSA-N 1 0 482.672 5.980 50 0 JKAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000012558309 556047611 /nfs/dbraw/zinc/04/76/11/556047611.db2.gz DUGZYNAJVLVDKS-XUZZJYLKSA-N 1 0 454.599 5.357 50 0 JKAARO O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@@H]([NH2+]CC12CC3CC(CC(C3)C1)C2)c1ccccc1 ZINC000012563633 556058635 /nfs/dbraw/zinc/05/86/35/556058635.db2.gz VONNUPAYOBXJPH-QSHMCURRSA-N 1 0 476.970 6.845 50 0 JKAARO O=C(c1ccccc1C(F)(F)F)N1CC[NH+](C2c3ccccc3CCc3ccccc32)CC1 ZINC000023439555 556059464 /nfs/dbraw/zinc/05/94/64/556059464.db2.gz OBQXNMYDTIIYSB-UHFFFAOYSA-N 1 0 450.504 5.351 50 0 JKAARO COc1ccc(OC)c(-c2cccc(-c3nc(C[NH+](CCC(C)C)CCC(C)C)cs3)c2)c1 ZINC000023444251 556061718 /nfs/dbraw/zinc/06/17/18/556061718.db2.gz RTVXWMRHOBWANS-UHFFFAOYSA-N 1 0 466.691 7.389 50 0 JKAARO CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)[NH2+][C@H](C)C13CC4CC(CC(C4)C1)C3)C[C@@H](C)CC2 ZINC000012566334 556064211 /nfs/dbraw/zinc/06/42/11/556064211.db2.gz JFEMLVUKXMCDEG-JVOPRISDSA-N 1 0 472.695 5.571 50 0 JKAARO CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@H]([NH2+]CCCn1ccnc1)c1ccccc1 ZINC000012566502 556064432 /nfs/dbraw/zinc/06/44/32/556064432.db2.gz UIXYDSKZHXKBFV-XMMPIXPASA-N 1 0 488.613 5.148 50 0 JKAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1ccc(-c2cc(-c3cccc4ccccc43)[nH]n2)cc1 ZINC000023450792 556065302 /nfs/dbraw/zinc/06/53/02/556065302.db2.gz GGMGKTQQDLRALZ-OAQYLSRUSA-N 1 0 454.618 6.137 50 0 JKAARO CCN(CC[N@H+](C)CC)C(=O)CCc1cc2c(n1-c1ccc(C)cc1OC)-c1ccccc1OC2 ZINC000023450694 556065420 /nfs/dbraw/zinc/06/54/20/556065420.db2.gz DTNSMOMBFJSDIP-UHFFFAOYSA-N 1 0 475.633 5.087 50 0 JKAARO CC[C@@H](C)[N@H+](CCNC(=O)c1ccc2c(c1)NC(=O)c1ccccc1S2)C1CCCCC1 ZINC000015943753 556079444 /nfs/dbraw/zinc/07/94/44/556079444.db2.gz QYJVOLSFWOOVIO-GOSISDBHSA-N 1 0 451.636 5.567 50 0 JKAARO CCC[NH2+]CC(=O)Nc1sc2c(c1C(=O)Nc1ccc(OC)cc1OC)CC[C@H](C(C)(C)C)C2 ZINC000015946026 556082171 /nfs/dbraw/zinc/08/21/71/556082171.db2.gz YKOXYHMSYBJYGV-INIZCTEOSA-N 1 0 487.666 5.107 50 0 JKAARO COc1ccc(NC(=O)c2c(NC(=O)C[NH2+]CC(C)C)sc3c2CC[C@@H](C(C)(C)C)C3)cc1 ZINC000015946551 556083257 /nfs/dbraw/zinc/08/32/57/556083257.db2.gz QVCUEXXCOIFOFB-QGZVFWFLSA-N 1 0 471.667 5.344 50 0 JKAARO COc1ccccc1NC(=O)c1c(NC(=O)C[NH2+][C@H](C)c2ccccc2)sc2c1CCCC2 ZINC000015946877 556084012 /nfs/dbraw/zinc/08/40/12/556084012.db2.gz UKSVLDQKDHRRTO-QGZVFWFLSA-N 1 0 463.603 5.177 50 0 JKAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC(=O)c4ccc(C(C)(C)C)cc4)cc2)N3)C1 ZINC000015947243 556084690 /nfs/dbraw/zinc/08/46/90/556084690.db2.gz CDRVPNUYPZEOAP-XMMPIXPASA-N 1 0 489.641 6.072 50 0 JKAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC(=O)c4cccc5ccccc54)cc2)N3)C1 ZINC000015947148 556084746 /nfs/dbraw/zinc/08/47/46/556084746.db2.gz NYJZQKYGHPEYFE-VWLOTQADSA-N 1 0 483.593 5.927 50 0 JKAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4cccc(Br)c4)o2)N3)C1 ZINC000015947287 556085096 /nfs/dbraw/zinc/08/50/96/556085096.db2.gz LVSQKLJATKYRDI-LJQANCHMSA-N 1 0 458.381 5.578 50 0 JKAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC(=O)c4ccc(Cl)cc4)c(OC)c2)N3)C1 ZINC000015947269 556085253 /nfs/dbraw/zinc/08/52/53/556085253.db2.gz RGOMBJLZJCHYCX-QFIPXVFZSA-N 1 0 498.004 5.436 50 0 JKAARO Cc1cc(Br)c(NC(=O)[C@@H](C)[NH2+][C@@H]2CCCc3ccccc32)c(Br)c1 ZINC000012630875 556093397 /nfs/dbraw/zinc/09/33/97/556093397.db2.gz BEOGAYAWHNPLBW-FZKQIMNGSA-N 1 0 466.217 5.514 50 0 JKAARO CCCN(C(=O)Cc1cccc2ccccc21)C1(C(=O)Nc2ccccc2)CC[NH+](C(C)C)CC1 ZINC000015980667 556099516 /nfs/dbraw/zinc/09/95/16/556099516.db2.gz AJMZAPBTAAVNLH-UHFFFAOYSA-N 1 0 471.645 5.503 50 0 JKAARO COc1ccc([C@H](CNC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)[NH+]2CCCC2)cc1 ZINC000012870703 556120883 /nfs/dbraw/zinc/12/08/83/556120883.db2.gz UZBJTGIJVASBQZ-QFIPXVFZSA-N 1 0 484.021 5.229 50 0 JKAARO O=C(N[C@H](OC[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C(Cl)(Cl)Cl)c1cccc2ccccc21 ZINC000016041281 556121465 /nfs/dbraw/zinc/12/14/65/556121465.db2.gz VRSQERDXHFMAAL-PIPMEXSNSA-N 1 0 469.840 5.547 50 0 JKAARO COc1ccc(OC)c(-c2nc(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)cc3c4ccccc4[nH]c32)c1 ZINC000012874587 556121521 /nfs/dbraw/zinc/12/15/21/556121521.db2.gz XKQDGHZFFBECRJ-UHFFFAOYSA-N 1 0 486.616 5.439 50 0 biogenic JKAARO C[C@H](OC[C@@H](O)C[NH+]1CCC(C(O)(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000016043657 556123085 /nfs/dbraw/zinc/12/30/85/556123085.db2.gz ICEYOUKMGLFQNF-DWACAAAGSA-N 1 0 480.048 5.427 50 0 JKAARO COc1ccc(NC(=O)c2ccc(NC(=O)C[NH2+][C@H](C)c3cccc4ccccc43)cc2)cc1 ZINC000012920907 556139380 /nfs/dbraw/zinc/13/93/80/556139380.db2.gz FRIMNRYVUCTVRA-LJQANCHMSA-N 1 0 453.542 5.390 50 0 JKAARO CC[NH+](CC)CCCN(CC(=O)NC(c1ccccc1)c1ccccc1)C(=O)c1ccc(Cl)cc1 ZINC000016671969 556149972 /nfs/dbraw/zinc/14/99/72/556149972.db2.gz PXALGFVZITXPQS-UHFFFAOYSA-N 1 0 492.063 5.420 50 0 JKAARO COc1ccc(C[N@H+](Cc2cc(=O)n3cc(Cl)ccc3n2)[C@@H](C)Cc2cccs2)cc1 ZINC000024762450 556152199 /nfs/dbraw/zinc/15/21/99/556152199.db2.gz DBSXQKRREACMNX-KRWDZBQOSA-N 1 0 453.995 5.051 50 0 JKAARO COc1ccc(C[N@H+](Cc2cc(=O)n3cc(Cl)ccc3n2)[C@H](C)Cc2cccs2)cc1 ZINC000024762459 556152239 /nfs/dbraw/zinc/15/22/39/556152239.db2.gz DBSXQKRREACMNX-QGZVFWFLSA-N 1 0 453.995 5.051 50 0 JKAARO COc1cc(OC)cc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@H+](C(C)C)C3)c1 ZINC000016837175 556163061 /nfs/dbraw/zinc/16/30/61/556163061.db2.gz NEDNMSHRAYHYRQ-UHFFFAOYSA-N 1 0 493.654 6.061 50 0 JKAARO CC[C@H]([NH2+]CC(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1)c1ccc(Br)cc1 ZINC000012990575 556183759 /nfs/dbraw/zinc/18/37/59/556183759.db2.gz HNTKHPPXCGCNDF-NRFANRHFSA-N 1 0 496.405 5.389 50 0 JKAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1nn(Cc2ccccc2)c2nccc(-c3cccs3)c12 ZINC000025150271 556190531 /nfs/dbraw/zinc/19/05/31/556190531.db2.gz DDBCJPRTZVNEDI-HXUWFJFHSA-N 1 0 475.662 5.448 50 0 JKAARO O[C@@H](COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000025329371 556208952 /nfs/dbraw/zinc/20/89/52/556208952.db2.gz XUCRALLSADLLLJ-RUZDIDTESA-N 1 0 489.418 5.422 50 0 JKAARO COc1cc(C[NH2+][C@H]2CCOc3ccccc32)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000025357269 556210418 /nfs/dbraw/zinc/21/04/18/556210418.db2.gz HPNCARURVSEURN-NRFANRHFSA-N 1 0 470.928 5.119 50 0 JKAARO COc1cc([C@H]2[NH2+]C[C@H](c3ccc(Cl)cc3Cl)c3c4ccccc4[nH]c32)cc(OC)c1OC ZINC000025461355 556217103 /nfs/dbraw/zinc/21/71/03/556217103.db2.gz STSQQIFVGFWTEQ-HOYKHHGWSA-N 1 0 483.395 6.325 50 0 JKAARO CC(C)[N@@H+]1CCc2c(sc(NC(=O)COc3ccccc3)c2-c2nc3ccccc3s2)C1 ZINC000017113390 556218280 /nfs/dbraw/zinc/21/82/80/556218280.db2.gz MEIDHDSJMDSMTB-UHFFFAOYSA-N 1 0 463.628 5.809 50 0 JKAARO CC(C)(C)c1nc(C(c2ccccc2)(c2ccccc2)c2ccccc2)c2c([s+]1)CCCC2 ZINC000025557693 556220312 /nfs/dbraw/zinc/22/03/12/556220312.db2.gz ZDSMWIZYQQCVDY-UHFFFAOYSA-N 1 0 450.671 7.983 50 0 JKAARO CCC[NH+]1CCC2(CC1)Oc1c(Cl)cc(Cl)cc1[C@H]1CC(c3ccc(OC)cc3)=NN12 ZINC000025578394 556224334 /nfs/dbraw/zinc/22/43/34/556224334.db2.gz LTFOHLYEYYOTAE-JOCHJYFZSA-N 1 0 460.405 5.748 50 0 JKAARO CCC[NH+]1CCC2(CC1)Oc1c(Cl)cc(Cl)cc1[C@H]1CC(c3ccc4ccccc4c3)=NN12 ZINC000025578371 556224387 /nfs/dbraw/zinc/22/43/87/556224387.db2.gz CKVYSNFCVIVVSY-RUZDIDTESA-N 1 0 480.439 6.892 50 0 JKAARO Brc1ccc(-c2nnc3sc(C[NH+]4CCC(Cc5ccccc5)CC4)cn32)cc1 ZINC000017178711 556233442 /nfs/dbraw/zinc/23/34/42/556233442.db2.gz XCKIDSUWDWRPME-UHFFFAOYSA-N 1 0 467.436 5.675 50 0 JKAARO COc1cccc([C@@H](CNc2nc(C)nc3scc(-c4ccc(OC)c(OC)c4)c32)[NH+](C)C)c1 ZINC000013039144 556239229 /nfs/dbraw/zinc/23/92/29/556239229.db2.gz AIQWEORHIWFQFJ-OAQYLSRUSA-N 1 0 478.618 5.407 50 0 JKAARO COc1cccc([C@H](CNC(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)[NH+]2CCCC2)c1 ZINC000013039439 556240493 /nfs/dbraw/zinc/24/04/93/556240493.db2.gz ACBVPFINIQLWDT-NDEPHWFRSA-N 1 0 466.585 5.115 50 0 JKAARO COC(=O)c1c2c(sc1NC(=O)c1ccc(C(=O)c3ccccc3)cc1)C(C)(C)[NH2+]C(C)(C)C2 ZINC000017242868 556243974 /nfs/dbraw/zinc/24/39/74/556243974.db2.gz NIYCGKTYRGUBAK-UHFFFAOYSA-N 1 0 476.598 5.177 50 0 JKAARO CCOC(=O)c1cc(CC)sc1NC(=O)CNc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000013041010 556245469 /nfs/dbraw/zinc/24/54/69/556245469.db2.gz POSZIKBMTPBBKP-UHFFFAOYSA-N 1 0 457.640 5.302 50 0 JKAARO CCC[NH+]1CCN(c2nc(CSc3ccc(Cl)cc3)nc3sc4c(c32)CCC4)CC1 ZINC000013041165 556245950 /nfs/dbraw/zinc/24/59/50/556245950.db2.gz YUEGMIKBCTUJBG-UHFFFAOYSA-N 1 0 459.084 5.658 50 0 JKAARO CCOc1ccc2nc(N(CCC[NH+](C)C)C(=O)c3ccc(C(=O)c4ccccc4)cc3)sc2c1 ZINC000017315709 556257696 /nfs/dbraw/zinc/25/76/96/556257696.db2.gz QXROMDNQEPFDFM-UHFFFAOYSA-N 1 0 487.625 5.525 50 0 JKAARO CCOc1cccc2sc(N(CCC[NH+](C)C)C(=O)c3ccc(C(=O)c4ccccc4)cc3)nc21 ZINC000017315796 556257768 /nfs/dbraw/zinc/25/77/68/556257768.db2.gz KCZCJQZQLKECEE-UHFFFAOYSA-N 1 0 487.625 5.525 50 0 JKAARO Cc1cc(NC(=O)c2ccco2)sc1C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000027574957 556299488 /nfs/dbraw/zinc/29/94/88/556299488.db2.gz VDTNBWITWDXXER-QGZVFWFLSA-N 1 0 457.621 5.166 50 0 JKAARO Cc1nn2c(nc(C)cc2N2CC[NH+](CCOc3cccc4ccccc43)CC2)c1-c1ccc(C)cc1 ZINC000027585800 556300610 /nfs/dbraw/zinc/30/06/10/556300610.db2.gz KREVSQZSRRMOCA-UHFFFAOYSA-N 1 0 491.639 5.676 50 0 JKAARO CCc1nn2c(nc(C)cc2N2CC[NH+](CCOc3cccc4ccccc43)CC2)c1-c1ccccc1 ZINC000027586267 556300628 /nfs/dbraw/zinc/30/06/28/556300628.db2.gz KLHRZPBMQHXHRN-UHFFFAOYSA-N 1 0 491.639 5.621 50 0 JKAARO CCCc1cc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)n2ncc(-c3ccccc3)c2n1 ZINC000027585103 556300650 /nfs/dbraw/zinc/30/06/50/556300650.db2.gz ZQQOIKBAEQFUKM-UHFFFAOYSA-N 1 0 487.651 6.260 50 0 JKAARO COc1ccc([C@@H](CNC(=O)c2oc3cc(Br)ccc3c2C)[NH+]2CCCCCC2)cc1 ZINC000027662247 556302059 /nfs/dbraw/zinc/30/20/59/556302059.db2.gz BSKRCBFVZUWTOJ-JOCHJYFZSA-N 1 0 485.422 5.859 50 0 JKAARO Cc1ccc2nc(-c3ccc(N4C(=O)C[C@H]([NH2+]Cc5ccc(Cl)cc5)C4=O)cc3)sc2c1 ZINC000018195545 556302600 /nfs/dbraw/zinc/30/26/00/556302600.db2.gz ZYAVOWVYRADWDJ-NRFANRHFSA-N 1 0 461.974 5.347 50 0 JKAARO CC[NH+]1CCN(c2ccc(NC(=O)c3cc4c(C)nn(-c5ccccc5)c4s3)cc2C)CC1 ZINC000013102357 556303312 /nfs/dbraw/zinc/30/33/12/556303312.db2.gz PPLNMBWZFHNYOH-UHFFFAOYSA-N 1 0 459.619 5.098 50 0 JKAARO COc1ccc([C@@H](CNC(=O)c2ccc(C3SCCCS3)cc2)[NH+]2CCCCC2)cc1 ZINC000027668127 556304070 /nfs/dbraw/zinc/30/40/70/556304070.db2.gz HOGCQTFIXQWPHZ-HSZRJFAPSA-N 1 0 456.677 5.521 50 0 JKAARO COc1ccc([C@H](CNC(=O)c2ccc(C3SCCCS3)cc2)[NH+]2CCCCC2)cc1 ZINC000027668128 556304095 /nfs/dbraw/zinc/30/40/95/556304095.db2.gz HOGCQTFIXQWPHZ-QHCPKHFHSA-N 1 0 456.677 5.521 50 0 JKAARO Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000013108307 556305467 /nfs/dbraw/zinc/30/54/67/556305467.db2.gz NQUNCNGDKMNMIC-SFHVURJKSA-N 1 0 497.879 5.828 50 0 JKAARO CN1CN(c2ccccc2)C2(CC[NH+](CCCN(c3ccc(F)cc3)c3ccc(F)cc3)CC2)C1=O ZINC000028097110 556316085 /nfs/dbraw/zinc/31/60/85/556316085.db2.gz UCICWTBCCDQNIJ-UHFFFAOYSA-N 1 0 490.598 5.264 50 0 JKAARO CC(C)(C)c1ccc([C@H](CNC(=O)c2cc(=O)c3cc(Cl)ccc3o2)[NH+]2CCCC2)cc1 ZINC000028289500 556327857 /nfs/dbraw/zinc/32/78/57/556327857.db2.gz UGGLDIJCMBBJFZ-NRFANRHFSA-N 1 0 452.982 5.311 50 0 JKAARO Cc1c2ccc(Br)cc2oc1C(=O)NC[C@@H](c1ccc(C(C)(C)C)cc1)[NH+]1CCCC1 ZINC000028290374 556328235 /nfs/dbraw/zinc/32/82/35/556328235.db2.gz DBNWNROTAFEYAI-QFIPXVFZSA-N 1 0 483.450 6.368 50 0 JKAARO CC(C)c1ccc([C@H](CNC(=O)c2cc(=O)c3cc(Cl)ccc3o2)[NH+]2CCCCC2)cc1 ZINC000028293054 556329316 /nfs/dbraw/zinc/32/93/16/556329316.db2.gz XMANRUSWBXDBRO-QFIPXVFZSA-N 1 0 452.982 5.527 50 0 JKAARO Cc1cc2c(-c3ccccc3)c(-c3ccccc3)n(C[C@@H](O)C[NH2+][C@H](C)c3ccccc3)c2c(C)c1 ZINC000028296677 556330978 /nfs/dbraw/zinc/33/09/78/556330978.db2.gz AADVVCGTHFIIKX-IRPSRAIASA-N 1 0 474.648 7.304 50 0 JKAARO O[C@@H](C[NH2+]C[C@H]1CCCO1)Cn1c(-c2ccccc2)c(-c2ccccc2)c2ccc3ccccc3c21 ZINC000028296565 556331030 /nfs/dbraw/zinc/33/10/30/556331030.db2.gz XYPVNTBCLNERSY-RRPNLBNLSA-N 1 0 476.620 6.258 50 0 JKAARO CCOC(=O)c1c(C)n(C)c2ccc(OC[C@H](O)C[NH+](C3CCCCC3)C3CCCCC3)cc21 ZINC000028296711 556331184 /nfs/dbraw/zinc/33/11/84/556331184.db2.gz MYCMAMOQCVUUPV-HSZRJFAPSA-N 1 0 470.654 5.371 50 0 JKAARO O[C@@H](C[NH2+]CCc1ccccc1)Cn1c2ccc(Cl)cc2c2cc(Br)ccc21 ZINC000028297138 556331568 /nfs/dbraw/zinc/33/15/68/556331568.db2.gz YZMDDLKMSZPSNJ-IBGZPJMESA-N 1 0 457.799 5.404 50 0 JKAARO Cc1cc(C)c2oc(C(=O)NC[C@@H](c3ccc(C(C)(C)C)cc3)[NH+]3CCCCC3)cc(=O)c2c1 ZINC000028402790 556332300 /nfs/dbraw/zinc/33/23/00/556332300.db2.gz GPEMMCPLJXLZSV-DEOSSOPVSA-N 1 0 460.618 5.664 50 0 JKAARO Cc1cc(C)c2oc(C(=O)NC[C@H](c3ccc(C(C)(C)C)cc3)[NH+]3CCCCC3)cc(=O)c2c1 ZINC000028402784 556332310 /nfs/dbraw/zinc/33/23/10/556332310.db2.gz GPEMMCPLJXLZSV-XMMPIXPASA-N 1 0 460.618 5.664 50 0 JKAARO Cc1cc2oc(C(=O)NC[C@@H](c3ccc(C(C)(C)C)cc3)[NH+]3CCCCC3)cc(=O)c2cc1C ZINC000028402770 556332334 /nfs/dbraw/zinc/33/23/34/556332334.db2.gz BIKZLZUSEMCQFA-DEOSSOPVSA-N 1 0 460.618 5.664 50 0 JKAARO CC[NH+](CC)[C@H](CNC(=O)c1cc(-c2cccc(OC)c2)nc2ccccc21)c1ccc(C(C)C)cc1 ZINC000028403062 556332668 /nfs/dbraw/zinc/33/26/68/556332668.db2.gz TZMOHQSSIBUNBP-WJOKGBTCSA-N 1 0 495.667 6.847 50 0 JKAARO COC(=O)c1ccc(C[NH+]2CCC(c3ncncc3-c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000019225554 556336119 /nfs/dbraw/zinc/33/61/19/556336119.db2.gz IBIIIOHYWLEFQZ-UHFFFAOYSA-N 1 0 455.480 5.329 50 0 JKAARO O[C@H](Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21)C[NH+]1CCN(C/C=C/c2ccccc2)CC1 ZINC000019313135 556339912 /nfs/dbraw/zinc/33/99/12/556339912.db2.gz UAAIAELDYVRREY-BSBODGDASA-N 1 0 494.466 5.793 50 0 JKAARO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[NH2+]C[C@@H](c1c2ccccc2[nH]c1-c1ccccc1)c1ccccc1 ZINC000028804057 556341553 /nfs/dbraw/zinc/34/15/53/556341553.db2.gz KSTAYNRDCSOSJB-QFQXNSOFSA-N 1 0 491.639 5.934 50 0 JKAARO O=C(CCCCCCN1CC[N@@H+]2CCC[C@@H]2C1)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000019369590 556346577 /nfs/dbraw/zinc/34/65/77/556346577.db2.gz QDZLSZKODUOQHK-OAQYLSRUSA-N 1 0 470.082 6.200 50 0 JKAARO CC1=CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH+]4CCN(C(c5ccccc5)c5ccccc5)CC4)[C@H]3C=C12 ZINC000019370134 556346592 /nfs/dbraw/zinc/34/65/92/556346592.db2.gz MFRKKZWZFLPJOP-FDCUTXSFSA-N 1 0 482.668 5.628 50 0 biogenic JKAARO c1ccc(C(c2ccccc2)N2CC[NH+]([C@@H]3Cc4ccccc4Sc4ccccc43)CC2)cc1 ZINC000019370789 556346599 /nfs/dbraw/zinc/34/65/99/556346599.db2.gz ZBIBZVREOIJCAI-MUUNZHRXSA-N 1 0 462.662 6.842 50 0 JKAARO c1ccc2c(c1)CCc1ccccc1C2N1CC[NH+](C2c3ccccc3CCc3ccccc32)CC1 ZINC000019369532 556346630 /nfs/dbraw/zinc/34/66/30/556346630.db2.gz WWKJCJZKWITBJM-UHFFFAOYSA-N 1 0 470.660 6.380 50 0 JKAARO Clc1ccc2c(c1)C[C@H](N1CC[NH+](Cc3ccccc3)CC1)c1ccc(Cl)cc1S2 ZINC000019370859 556347031 /nfs/dbraw/zinc/34/70/31/556347031.db2.gz XLSBPHGLPITZQG-QHCPKHFHSA-N 1 0 455.454 6.560 50 0 JKAARO Clc1ccc2c(c1)C[C@@H](N1CC[NH+](Cc3ccccc3)CC1)c1ccc(Cl)cc1S2 ZINC000019370861 556347057 /nfs/dbraw/zinc/34/70/57/556347057.db2.gz XLSBPHGLPITZQG-HSZRJFAPSA-N 1 0 455.454 6.560 50 0 JKAARO CCOc1ccc(OC[C@@H](O)C[NH2+]C[C@H](c2c[nH]c3ccccc32)c2ccccc2Cl)cc1 ZINC000013129710 556353611 /nfs/dbraw/zinc/35/36/11/556353611.db2.gz MBIFMYHWSUMFKT-CYFREDJKSA-N 1 0 464.993 5.381 50 0 JKAARO CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)CNc1ccc([NH+](CC)CC)cc1 ZINC000013132024 556358518 /nfs/dbraw/zinc/35/85/18/556358518.db2.gz BMXRJTGYFZURRN-UHFFFAOYSA-N 1 0 469.582 5.628 50 0 JKAARO Fc1ccc(-c2csc3ncnc(N4CC[NH+](C(c5ccccc5)c5ccccc5)CC4)c23)cc1 ZINC000019682027 556359738 /nfs/dbraw/zinc/35/97/38/556359738.db2.gz PPXFSTAQJLAOTR-UHFFFAOYSA-N 1 0 480.612 6.409 50 0 JKAARO Cc1ccc2ccccc2c1C[NH+]1CCN(c2ncnc3scc(-c4ccc(F)cc4)c32)CC1 ZINC000019682036 556359751 /nfs/dbraw/zinc/35/97/51/556359751.db2.gz SVJYORGUUFUDKI-UHFFFAOYSA-N 1 0 468.601 6.281 50 0 JKAARO COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)[N@H+](CCC1=C(C)CCCC1(C)C)CC2 ZINC000019732595 556362995 /nfs/dbraw/zinc/36/29/95/556362995.db2.gz KVLMXTDGOPNECH-HHHXNRCGSA-N 1 0 454.054 7.221 50 0 JKAARO CC1(C)C[C@]2(CCC[N@H+](Cc3nc4c(c(=O)[nH]3)C3(CCCCC3)Cc3ccccc3-4)C2)CCO1 ZINC000019782240 556369487 /nfs/dbraw/zinc/36/94/87/556369487.db2.gz DJNATJHMUNFNFS-NDEPHWFRSA-N 1 0 461.650 5.366 50 0 biogenic JKAARO CCn1c2ccccc2c2cc(C[NH+]3CCN(Cc4ccc(OC)c(Br)c4)CC3)ccc21 ZINC000019781855 556369574 /nfs/dbraw/zinc/36/95/74/556369574.db2.gz MUQGDTAAFRLGPM-UHFFFAOYSA-N 1 0 492.461 5.903 50 0 JKAARO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)c2cnn(-c3ccccc3)c2C2CC2)cc1 ZINC000030804129 556374815 /nfs/dbraw/zinc/37/48/15/556374815.db2.gz IDTLGJOGRAUKBB-UHFFFAOYSA-N 1 0 450.586 5.408 50 0 JKAARO O[C@@H](Cn1c(-c2ccccc2)c(-c2ccccc2)c2ccc3ccccc3c21)C[NH+]1CCOCC1 ZINC000019800322 556377554 /nfs/dbraw/zinc/37/75/54/556377554.db2.gz CBXVNVGAGQBJIV-AREMUKBSSA-N 1 0 462.593 5.822 50 0 JKAARO CC[NH+](CC)CC[C@@]1(c2ccccc2)CN(N(C)Cc2cccc(OC)c2Cl)c2ccccc21 ZINC000031518884 556398567 /nfs/dbraw/zinc/39/85/67/556398567.db2.gz PHGQOXNHZGZZQS-LJAQVGFWSA-N 1 0 478.080 6.234 50 0 JKAARO CC(C)NC(=O)[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccccc3)cc2)CN1Cc1cccc(Cl)c1 ZINC000032581035 556447298 /nfs/dbraw/zinc/44/72/98/556447298.db2.gz UMBUYPGYFZHYJM-SXOMAYOGSA-N 1 0 462.037 5.264 50 0 JKAARO C[NH+](C)CCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000032622856 556452722 /nfs/dbraw/zinc/45/27/22/556452722.db2.gz JTDZAWCUESOPFF-IBGZPJMESA-N 1 0 465.764 5.250 50 0 JKAARO CCc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCC[NH+](CC)CC)cc1 ZINC000032623137 556453011 /nfs/dbraw/zinc/45/30/11/556453011.db2.gz ZTPNLSUVPPYSGH-HSZRJFAPSA-N 1 0 452.982 5.286 50 0 JKAARO CC(C)c1ccc([C@@H](CNC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)[NH+]2CCCCC2)cc1 ZINC000032623119 556453099 /nfs/dbraw/zinc/45/30/99/556453099.db2.gz BGQCLSZCPYBMRY-XMMPIXPASA-N 1 0 475.589 5.193 50 0 JKAARO COc1ccc(C[N@H+](Cc2nnc(-c3ccccc3Br)o2)[C@@H](C)Cc2cccs2)cc1 ZINC000032836179 556507267 /nfs/dbraw/zinc/50/72/67/556507267.db2.gz SRXMKAKKYPAOAJ-KRWDZBQOSA-N 1 0 498.446 6.203 50 0 JKAARO COc1ccccc1[C@H](CNC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1)[NH+]1CCCC1 ZINC000032902422 556529382 /nfs/dbraw/zinc/52/93/82/556529382.db2.gz DSPPRFYAMRGGFJ-VWLOTQADSA-N 1 0 467.569 5.584 50 0 JKAARO CC[NH+]1CCN(CCCNc2nc(CSc3ccccc3)nc3sc(C)c(C)c32)CC1 ZINC000032916251 556540149 /nfs/dbraw/zinc/54/01/49/556540149.db2.gz GSIBLOLJNYHMQH-UHFFFAOYSA-N 1 0 455.697 5.040 50 0 JKAARO CCN1CC[NH+](CCCCNc2nc(CSc3ccccc3)nc3sc4c(c32)CCC4)CC1 ZINC000032916216 556540311 /nfs/dbraw/zinc/54/03/11/556540311.db2.gz ITFQNSFJOUNPRU-UHFFFAOYSA-N 1 0 481.735 5.302 50 0 JKAARO CCOc1ccc(C[N@H+](CCc2ccc3c(c2)OCO3)Cc2ccc(OC)c(Br)c2)cc1 ZINC000008441436 562939324 /nfs/dbraw/zinc/93/93/24/562939324.db2.gz PFOWSJHGZXFGSF-UHFFFAOYSA-N 1 0 498.417 5.830 50 0 JKAARO COc1ccc2[nH+]c(C)cc(Nc3ccc(Oc4ccc(Cl)c5ccccc45)c(Cl)c3)c2c1 ZINC000008453674 562939476 /nfs/dbraw/zinc/93/94/76/562939476.db2.gz MKPVHTVXISJQPO-UHFFFAOYSA-N 1 0 475.375 8.548 50 0 JKAARO COc1ccc2c(c1)[nH]c(C(=O)NCCC[NH+]1CCCCC1)c2Sc1ccc(Cl)cc1 ZINC000008587688 562941216 /nfs/dbraw/zinc/94/12/16/562941216.db2.gz VBQNMKPKCRAQNG-UHFFFAOYSA-N 1 0 458.027 5.587 50 0 JKAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1[nH]c2ccccc2c1Sc1ccc(Cl)cc1 ZINC000008587628 562941251 /nfs/dbraw/zinc/94/12/51/562941251.db2.gz BVSUHJNFENPVAJ-IBGZPJMESA-N 1 0 456.055 6.357 50 0 JKAARO CC[N@@H+]1CCc2c(sc(-n3cccc3)c2[C@@H](C)NC(=O)Nc2cc(Cl)c(OC)cc2OC)C1 ZINC000008590241 562942605 /nfs/dbraw/zinc/94/26/05/562942605.db2.gz JCZLGELMCFHOND-OAHLLOKOSA-N 1 0 489.041 5.470 50 0 JKAARO CCCC[NH+](CCCC)CCCNC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc21 ZINC000008593050 562943259 /nfs/dbraw/zinc/94/32/59/562943259.db2.gz NFCSSFISTZLVNQ-UHFFFAOYSA-N 1 0 458.071 6.639 50 0 JKAARO CC[C@@H](NC(=O)Nc1cc(OC)ccc1OC)c1c2c(sc1-n1cccc1)C[N@@H+](CC)CC2 ZINC000008619118 562948317 /nfs/dbraw/zinc/94/83/17/562948317.db2.gz CAPMBDOURMKUGE-LJQANCHMSA-N 1 0 468.623 5.207 50 0 JKAARO COc1ccccc1NC(=O)N(Cc1ccc2c(c1)OCO2)C1CC[NH+](Cc2ccccc2)CC1 ZINC000008674058 562950437 /nfs/dbraw/zinc/95/04/37/562950437.db2.gz QPRJFAWCSIYLRI-UHFFFAOYSA-N 1 0 473.573 5.123 50 0 JKAARO COc1ccc(CCNC(=O)c2ccc(C[NH+]3CCC(Cc4ccccc4)CC3)cc2)cc1OC ZINC000008683711 562951782 /nfs/dbraw/zinc/95/17/82/562951782.db2.gz BFFBUVJTRFJVGD-UHFFFAOYSA-N 1 0 472.629 5.131 50 0 JKAARO O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC000033023430 563110418 /nfs/dbraw/zinc/11/04/18/563110418.db2.gz RMCZOZRUZBUYOP-UHFFFAOYSA-N 1 0 490.069 5.059 50 0 JKAARO C[C@H]1CCc2sc3ncnc(N4CC[NH+](CCOC(c5ccccc5)c5ccccc5)CC4)c3c2C1 ZINC000054290466 569589759 /nfs/dbraw/zinc/58/97/59/569589759.db2.gz QDBUGDAQKRWYAB-QFIPXVFZSA-N 1 0 498.696 5.744 50 0 JKAARO Fc1ccc(-c2csc3ncnc(N4CC[NH+](CCOc5ccc(Cl)cc5)CC4)c23)cc1 ZINC000054290416 569589810 /nfs/dbraw/zinc/58/98/10/569589810.db2.gz RFXKRRUJHHRXDG-UHFFFAOYSA-N 1 0 468.985 5.352 50 0 JKAARO O=C(C1CCCCC1)N1CCC(Oc2ccc(C[NH+]3CCN(c4cccc(Cl)c4)CC3)cc2)CC1 ZINC000055224684 569591232 /nfs/dbraw/zinc/59/12/32/569591232.db2.gz NKYHICQJURCGIJ-UHFFFAOYSA-N 1 0 496.095 5.612 50 0 JKAARO CCOc1ccc([C@H](C)[NH2+]CC(=O)Nc2nc(-c3ccc(Br)cc3)cs2)cc1 ZINC000008454425 569591466 /nfs/dbraw/zinc/59/14/66/569591466.db2.gz MUDYPGFXLOFQAH-AWEZNQCLSA-N 1 0 460.397 5.261 50 0 JKAARO C[N@@H+](Cc1ccccc1)Cc1ccc(C(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)c(=O)[nH]1 ZINC000055283442 569591506 /nfs/dbraw/zinc/59/15/06/569591506.db2.gz OHMLYCWPMJRLGH-AREMUKBSSA-N 1 0 471.988 5.180 50 0 JKAARO COC(=O)c1sc2nc(C[N@H+](C)[C@H](C)c3cccs3)ccc2c1NC(=O)c1cccc(C)c1C ZINC000055343293 569591661 /nfs/dbraw/zinc/59/16/61/569591661.db2.gz FKFRLWIEGDQCMF-QGZVFWFLSA-N 1 0 493.654 6.207 50 0 JKAARO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1cc(Br)ccc1Cl ZINC000055531411 569592208 /nfs/dbraw/zinc/59/22/08/569592208.db2.gz PKWKTTNNRKAIDD-UHFFFAOYSA-N 1 0 484.825 5.677 50 0 JKAARO COc1cc(C[NH2+]C[C@]2(C)CCC[C@]3(C)c4ccc(C(C)C)cc4CC[C@@H]23)cc(OC)c1OC ZINC000008694201 569592965 /nfs/dbraw/zinc/59/29/65/569592965.db2.gz MPWSUTJLNFWPHG-LOAGWBBBSA-N 1 0 465.678 6.636 50 0 JKAARO COc1ccc(C2=NN3[C@H](C2)c2cccc(OC)c2OC32CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000008717742 569596751 /nfs/dbraw/zinc/59/67/51/569596751.db2.gz FVDXDMJXMIFHSJ-AREMUKBSSA-N 1 0 469.585 5.240 50 0 JKAARO COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2OC32CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000008717707 569596771 /nfs/dbraw/zinc/59/67/71/569596771.db2.gz GCCUYIMDBWZRAI-SANMLTNESA-N 1 0 474.004 5.884 50 0 JKAARO COc1cccc(C2=NN3[C@H](C2)c2cccc(OC)c2OC32CC[NH+](Cc3ccccc3)CC2)c1 ZINC000008717744 569596791 /nfs/dbraw/zinc/59/67/91/569596791.db2.gz KGUQZSAYQSESMF-AREMUKBSSA-N 1 0 469.585 5.240 50 0 JKAARO Clc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2OC32CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000008717712 569596798 /nfs/dbraw/zinc/59/67/98/569596798.db2.gz QYSRCSQYYNOOGP-RUZDIDTESA-N 1 0 478.423 6.529 50 0 JKAARO Clc1ccc2c(c1)[C@@H]1CC(c3cccs3)=NN1C1(CC[NH+](Cc3ccccc3)CC1)O2 ZINC000008717721 569596821 /nfs/dbraw/zinc/59/68/21/569596821.db2.gz HWWKXTHNOXPQQY-QFIPXVFZSA-N 1 0 450.007 5.937 50 0 JKAARO COC(=O)c1ccc(C)c(NC(=O)c2ccc(C[NH+]3CCC(Cc4ccccc4)CC3)cc2)c1 ZINC000008722512 569599090 /nfs/dbraw/zinc/59/90/90/569599090.db2.gz XLFWGBXMDUNRQP-UHFFFAOYSA-N 1 0 456.586 5.489 50 0 JKAARO Cc1nn(Cc2ccccc2)c(C)c1C(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000058160808 569602101 /nfs/dbraw/zinc/60/21/01/569602101.db2.gz KMFAXCNWELWSFY-UHFFFAOYSA-N 1 0 479.628 5.123 50 0 JKAARO O=C(NCCC[NH+]1CCC(Cc2ccccc2)CC1)c1ccc2c(c1)NC(=O)/C(=C\c1ccccc1)O2 ZINC000032984083 569607334 /nfs/dbraw/zinc/60/73/34/569607334.db2.gz PLCGERGWEVDCDQ-XHLNEMQHSA-N 1 0 495.623 5.133 50 0 JKAARO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)c1cc(-c2ccco2)nn1-c1ccccc1 ZINC000060331465 569608745 /nfs/dbraw/zinc/60/87/45/569608745.db2.gz VNXWOJVNXWRBFG-UHFFFAOYSA-N 1 0 458.587 5.242 50 0 JKAARO C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000060377480 569608947 /nfs/dbraw/zinc/60/89/47/569608947.db2.gz IPGUQZDKRRNXQU-KRWDZBQOSA-N 1 0 467.963 5.530 50 0 JKAARO CCOc1cc(-c2cccc(OC)c2)nc2ccc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc21 ZINC000032986692 569609009 /nfs/dbraw/zinc/60/90/09/569609009.db2.gz PNWKXALJWARLST-UHFFFAOYSA-N 1 0 495.623 5.704 50 0 JKAARO Cc1ccc(-c2cnc(CCC(=O)Nc3ccc(N4CC[NH+](Cc5ccccc5)CC4)cc3)o2)cc1C ZINC000062271381 569610464 /nfs/dbraw/zinc/61/04/64/569610464.db2.gz PAVJGMQZTLRXNH-UHFFFAOYSA-N 1 0 494.639 5.852 50 0 JKAARO CC[N@H+](CCNC(=O)c1cccc(Nc2ccc(-c3ccc(C)cc3)nn2)c1)Cc1ccccc1 ZINC000032996990 569610968 /nfs/dbraw/zinc/61/09/68/569610968.db2.gz JTKBLPHCXVRHGS-UHFFFAOYSA-N 1 0 465.601 5.448 50 0 JKAARO COC(=O)c1sc2nc(C[N@H+](C)Cc3ccccc3)ccc2c1NC(=O)Cc1ccccc1F ZINC000064167080 569616387 /nfs/dbraw/zinc/61/63/87/569616387.db2.gz HICUNDFAOXEWDT-UHFFFAOYSA-N 1 0 477.561 5.035 50 0 JKAARO CC[N@H+](CCCNC(=O)c1cccc(Nc2cc(-c3ccc(F)cc3)ncn2)c1)Cc1ccccc1 ZINC000033010525 569616856 /nfs/dbraw/zinc/61/68/56/569616856.db2.gz GQWOSDXTZRWIFW-UHFFFAOYSA-N 1 0 483.591 5.668 50 0 JKAARO CC[N@H+](CCCNC(=O)c1ccc(Nc2cc(-c3ccc(C)cc3)ncn2)cc1)Cc1ccccc1 ZINC000033010823 569616921 /nfs/dbraw/zinc/61/69/21/569616921.db2.gz BUELHIAWLUKUPW-UHFFFAOYSA-N 1 0 479.628 5.838 50 0 JKAARO CC[N@H+](CCNC(=O)c1ccc(Nc2cc(-c3ccc(C)cc3)ncn2)cc1)Cc1ccccc1 ZINC000033010813 569616955 /nfs/dbraw/zinc/61/69/55/569616955.db2.gz MRVGAMUVQBFCLQ-UHFFFAOYSA-N 1 0 465.601 5.448 50 0 JKAARO CC[NH+]1CCN(Cc2ccc(NC(=O)c3cc4c(C)nn(-c5ccc(Cl)cc5)c4s3)cc2)CC1 ZINC000064567894 569619922 /nfs/dbraw/zinc/61/99/22/569619922.db2.gz JVUMYAHIIMHOIV-UHFFFAOYSA-N 1 0 494.064 5.439 50 0 JKAARO CC[N@H+](CCNC(=O)c1cccc(Nc2ccnc(-c3ccc(C)cc3)n2)c1)Cc1ccccc1 ZINC000033025266 569620717 /nfs/dbraw/zinc/62/07/17/569620717.db2.gz NXVHQYHUVAZWPQ-UHFFFAOYSA-N 1 0 465.601 5.448 50 0 JKAARO CCC[NH+]1CCN(c2nn3c(nc(-c4ccccc4)c3NC(=O)Nc3cccc(Cl)c3)s2)CC1 ZINC000064699038 569623918 /nfs/dbraw/zinc/62/39/18/569623918.db2.gz RIIBMAXLNPDIFC-UHFFFAOYSA-N 1 0 496.040 5.287 50 0 JKAARO Cc1cccc(-c2nc3sc(N4CC[NH+](C5CCCCC5)CC4)nn3c2NC2CCCCC2)c1 ZINC000064746110 569625184 /nfs/dbraw/zinc/62/51/84/569625184.db2.gz NGUQCIRWHLHQHC-UHFFFAOYSA-N 1 0 478.710 5.966 50 0 JKAARO CCC[NH+]1CCN(c2nn3c(nc(-c4ccc(C(F)(F)F)cc4)c3NC3CCCCC3)s2)CC1 ZINC000064746078 569625202 /nfs/dbraw/zinc/62/52/02/569625202.db2.gz PEPCQJIYENOULE-UHFFFAOYSA-N 1 0 492.615 5.753 50 0 JKAARO CCOc1ccc(-c2nc3sc(N4CC[NH+](C5CCCCC5)CC4)nn3c2NC2CCCC2)cc1 ZINC000064746102 569625215 /nfs/dbraw/zinc/62/52/15/569625215.db2.gz GLEVYECTTSYUNL-UHFFFAOYSA-N 1 0 494.709 5.666 50 0 JKAARO CC(C)(C)Nc1c(-c2ccc(F)cc2)nc2sc(N3CC[NH+](C4CCCCC4)CC3)nn21 ZINC000064746117 569625333 /nfs/dbraw/zinc/62/53/33/569625333.db2.gz ZKAKTOMUSAGJDD-UHFFFAOYSA-N 1 0 456.635 5.262 50 0 JKAARO CC(C)c1ccc(-c2nc3sc(N4CC[NH+](C5CCCCC5)CC4)nn3c2NC(C)(C)C)cc1 ZINC000064746122 569625346 /nfs/dbraw/zinc/62/53/46/569625346.db2.gz XQBSXZMNIXAKFO-UHFFFAOYSA-N 1 0 480.726 6.246 50 0 JKAARO COc1c2c(cc3c1[C@@H](C[C@H](O)c1cc(C(C)(C)C)cc4c1CCC4(C)C)[N@H+](C)CC3)OCO2 ZINC000033891529 569637103 /nfs/dbraw/zinc/63/71/03/569637103.db2.gz XVPULKCGCVRRPV-PKTZIBPZSA-N 1 0 465.634 5.598 50 0 biogenic JKAARO Cc1ccc2c(c1)[C@@H]([NH+]1CCN(CCCn3c4ccccc4[nH]c3=O)CC1)c1ccccc1CS2 ZINC000033901130 569637188 /nfs/dbraw/zinc/63/71/88/569637188.db2.gz SBMXQZNPYGSVFF-NDEPHWFRSA-N 1 0 484.669 5.041 50 0 JKAARO Cc1ccc(-c2ccc(SCc3cccc(C(=O)NCCC[N@H+]4CCCC[C@@H]4C)c3)nn2)cc1 ZINC000033941921 569639335 /nfs/dbraw/zinc/63/93/35/569639335.db2.gz IRQVCWPZGRXJBJ-QFIPXVFZSA-N 1 0 474.674 5.739 50 0 JKAARO O=C(NCc1cccc(C(F)(F)F)c1)[C@H]1CC[C@@H](c2ccccc2)[N@H+](Cc2ccc(F)cc2)C1 ZINC000034669602 569640661 /nfs/dbraw/zinc/64/06/61/569640661.db2.gz YNHMAMILAZCHDB-DHLKQENFSA-N 1 0 470.510 6.114 50 0 JKAARO O=C(NCc1cccc(C(F)(F)F)c1)[C@H]1CC[C@H](c2ccccc2)[N@H+](Cc2ccc(F)cc2)C1 ZINC000034669605 569640842 /nfs/dbraw/zinc/64/08/42/569640842.db2.gz YNHMAMILAZCHDB-WIOPSUGQSA-N 1 0 470.510 6.114 50 0 JKAARO CC[C@@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@@H+](Cc1cccc(C)c1)CC2)C(=O)NCCOC ZINC000034671645 569640957 /nfs/dbraw/zinc/64/09/57/569640957.db2.gz QPSONGGBLIJULB-FQLXRVMXSA-N 1 0 472.629 5.063 50 0 JKAARO CC[C@H](Oc1ccc2c(c1)[C@H](c1ccccc1)[N@@H+](Cc1cccc(C)c1)CC2)C(=O)NC[C@@H]1CCCO1 ZINC000034671743 569640998 /nfs/dbraw/zinc/64/09/98/569640998.db2.gz WEXYDHIQPYZQSU-ASVWTAOFSA-N 1 0 498.667 5.595 50 0 JKAARO CCCNC(=O)[C@H](CC)Oc1ccc2c(c1)[C@H](c1ccccc1)[N@@H+](Cc1cccc(C)c1)CC2 ZINC000034671701 569641019 /nfs/dbraw/zinc/64/10/19/569641019.db2.gz SQTNFYWNXNCNAR-VMPREFPWSA-N 1 0 456.630 5.826 50 0 JKAARO Cc1ccc(C(=O)N(Cc2cccc(F)c2)c2ccc(CC(=O)NCC[NH+]3CCCCC3)cc2)cc1 ZINC000034679970 569642905 /nfs/dbraw/zinc/64/29/05/569642905.db2.gz NAOVMJQEPRIILD-UHFFFAOYSA-N 1 0 487.619 5.126 50 0 JKAARO Cc1cccc(CN(C(=O)c2cccs2)c2ccc(CC(=O)NCC[NH+]3CCCCC3)cc2)c1 ZINC000034680073 569643000 /nfs/dbraw/zinc/64/30/00/569643000.db2.gz TYRWIPGEJGBTNL-UHFFFAOYSA-N 1 0 475.658 5.048 50 0 JKAARO CC(C)c1ccc(C[N@@H+]2CCCN(c3ccc(NC(=O)c4ccccc4Cl)cn3)CC2)cc1 ZINC000034681687 569643317 /nfs/dbraw/zinc/64/33/17/569643317.db2.gz SCZMBMMOELKVTC-UHFFFAOYSA-N 1 0 463.025 5.823 50 0 JKAARO O=C(Nc1ccc(N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)nc1)c1ccc(F)cc1 ZINC000034681651 569643340 /nfs/dbraw/zinc/64/33/40/569643340.db2.gz ODHLTLVOUCKGEI-UHFFFAOYSA-N 1 0 472.486 5.204 50 0 JKAARO O=C(COc1ccc(Cl)cc1)Nc1ccc(N2CCC[N@H+](Cc3ccccc3Cl)CC2)nc1 ZINC000034681700 569643546 /nfs/dbraw/zinc/64/35/46/569643546.db2.gz YREBMOKHYHJJPY-UHFFFAOYSA-N 1 0 485.415 5.118 50 0 JKAARO CC[C@H](C(=O)Nc1ccc(N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)nc1)c1ccccc1 ZINC000034681875 569643573 /nfs/dbraw/zinc/64/35/73/569643573.db2.gz PXDKCAMAIWCDHX-VWLOTQADSA-N 1 0 496.577 5.945 50 0 JKAARO COc1ccccc1C[N@@H+]1CCCN(c2ccc(NC(=O)Nc3c(C)cccc3C)cn2)CC1 ZINC000034682111 569643779 /nfs/dbraw/zinc/64/37/79/569643779.db2.gz ZFHTZXIZSNGLLV-UHFFFAOYSA-N 1 0 459.594 5.063 50 0 JKAARO O=C(Nc1ccc(N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)nc1)C1CCCCC1 ZINC000034681962 569643823 /nfs/dbraw/zinc/64/38/23/569643823.db2.gz ZPFVWMXKQIPRJW-UHFFFAOYSA-N 1 0 460.544 5.332 50 0 JKAARO O=C(c1ccccc1F)N(c1ccc(F)cc1)C1CC[NH+](Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000034682646 569644031 /nfs/dbraw/zinc/64/40/31/569644031.db2.gz QSXXSBQQUXNNRU-UHFFFAOYSA-N 1 0 498.573 7.069 50 0 JKAARO O=C(c1cccc(Cl)c1)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000034682665 569644038 /nfs/dbraw/zinc/64/40/38/569644038.db2.gz LYTWRJHWDORALX-UHFFFAOYSA-N 1 0 457.376 6.444 50 0 JKAARO COc1ccc(C(=O)N(c2ccc(OC)cc2)C2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000034682773 569644084 /nfs/dbraw/zinc/64/40/84/569644084.db2.gz VMCIIEWOJZCHHM-UHFFFAOYSA-N 1 0 464.993 5.669 50 0 JKAARO COc1ccccc1C(=O)N(c1ccc(C)cc1)C1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC000034682991 569644154 /nfs/dbraw/zinc/64/41/54/569644154.db2.gz HYGFQMXMKBLSHR-UHFFFAOYSA-N 1 0 456.630 6.438 50 0 JKAARO Cc1cccc(C(=O)N(c2ccc(F)cc2)C2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000034682764 569644180 /nfs/dbraw/zinc/64/41/80/569644180.db2.gz SMKCPZOEOIBNQQ-UHFFFAOYSA-N 1 0 470.510 6.464 50 0 JKAARO COc1cccc(N(C(=O)c2ccc(F)cc2)C2CC[NH+](Cc3ccc(OC)cc3OC)CC2)c1 ZINC000034683114 569644254 /nfs/dbraw/zinc/64/42/54/569644254.db2.gz XFDGJVYYGCYITL-UHFFFAOYSA-N 1 0 478.564 5.163 50 0 JKAARO COc1cccc(N(C(=O)c2ccc(F)cc2)C2CC[NH+](Cc3cccc(OC)c3OC)CC2)c1 ZINC000034683115 569644286 /nfs/dbraw/zinc/64/42/86/569644286.db2.gz SAFLZMTVXXCVJT-UHFFFAOYSA-N 1 0 478.564 5.163 50 0 JKAARO COc1cccc(N(C(=O)c2cccs2)C2CC[NH+](Cc3ccccc3C(F)(F)F)CC2)c1 ZINC000034683439 569644384 /nfs/dbraw/zinc/64/43/84/569644384.db2.gz PPOCZVNMTWGINS-UHFFFAOYSA-N 1 0 474.548 6.087 50 0 JKAARO Cc1ccc(N(C2CC[NH+](Cc3cccs3)CC2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000034683759 569644629 /nfs/dbraw/zinc/64/46/29/569644629.db2.gz UFDBCRBOBQWHLH-UHFFFAOYSA-N 1 0 461.052 5.570 50 0 JKAARO O=C(COc1ccc2c(c1)[C@@H](c1ccccc1)[N@@H+](Cc1ccccc1)CC2)Nc1cccc(Cl)c1 ZINC000034686588 569645403 /nfs/dbraw/zinc/64/54/03/569645403.db2.gz ZSUHCCPUVHXXBS-SSEXGKCCSA-N 1 0 483.011 6.505 50 0 JKAARO CC[C@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@@H+](Cc1cccc(C)c1)CC2)C(=O)NCC1CC1 ZINC000034686585 569645460 /nfs/dbraw/zinc/64/54/60/569645460.db2.gz JPKDZDYEVYZUDQ-XZWHSSHBSA-N 1 0 468.641 5.826 50 0 JKAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1cc(-c2ccc(F)cc2)nc2ccccc21 ZINC000034695884 569647560 /nfs/dbraw/zinc/64/75/60/569647560.db2.gz IDHSWRAXURQYND-YWEHKCAJSA-N 1 0 451.545 5.797 50 0 JKAARO O=C(c1cccc(C(F)(F)F)c1)N1C[C@@H](c2cccc(C(F)(F)F)c2)[C@H](C[NH+]2CCCCC2)C1 ZINC000034698009 569647618 /nfs/dbraw/zinc/64/76/18/569647618.db2.gz AQQOPJFNVBBJMU-KNQAVFIVSA-N 1 0 484.484 6.066 50 0 JKAARO O=C(c1cccs1)N1C[C@@H](c2cccc(F)c2)[C@H](C[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC000034698261 569647659 /nfs/dbraw/zinc/64/76/59/569647659.db2.gz FMYVTWIKZXPOTP-RSXGOPAZSA-N 1 0 462.634 5.698 50 0 JKAARO O=C(c1ccc(F)cc1)N1C[C@H](C[NH+]2CCC(Cc3ccccc3)CC2)[C@H](c2ccc(F)cc2)C1 ZINC000034697765 569647660 /nfs/dbraw/zinc/64/76/60/569647660.db2.gz WXETUZXRVQWMJO-WNJJXGMVSA-N 1 0 474.595 5.775 50 0 JKAARO O=C(c1cccs1)N1C[C@H](C[NH+]2CCN(c3ccccc3)CC2)[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000034698056 569647672 /nfs/dbraw/zinc/64/76/72/569647672.db2.gz MQMSXNNVFXTIQT-XUZZJYLKSA-N 1 0 499.602 5.445 50 0 JKAARO Cc1ccc([C@H]2CN(C(=O)c3cccc(C(F)(F)F)c3)C[C@@H]2C[N@@H+](C)C2CCCCC2)cc1 ZINC000034697827 569647705 /nfs/dbraw/zinc/64/77/05/569647705.db2.gz WMRSJTJRQMPTAT-WIOPSUGQSA-N 1 0 458.568 6.134 50 0 JKAARO O=C(NCC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccc2nc(CCc3ccccc3)oc2c1 ZINC000064968166 569647777 /nfs/dbraw/zinc/64/77/77/569647777.db2.gz XFGCMAAFKPRSTJ-UHFFFAOYSA-N 1 0 488.031 5.908 50 0 JKAARO COc1ccccc1[C@@H]1CN(C(=O)C2CCCC2)C[C@H]1C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000034698547 569647840 /nfs/dbraw/zinc/64/78/40/569647840.db2.gz DYAUMHHBMBQVDP-IXCJQBJRSA-N 1 0 460.662 5.382 50 0 JKAARO Cc1ccccc1[C@H]1C[N@H+](Cc2cccc(F)c2)C[C@@H]1CN(C(=O)c1ccccc1)C1CCCCC1 ZINC000034698877 569647925 /nfs/dbraw/zinc/64/79/25/569647925.db2.gz WTEHJWYQSSVQEZ-JOMNFKBKSA-N 1 0 484.659 6.825 50 0 JKAARO Cc1ccccc1[C@H]1C[N@@H+](Cc2ccc(Cl)cc2)C[C@@H]1CN(C(=O)c1ccccc1)C(C)C ZINC000034698781 569647940 /nfs/dbraw/zinc/64/79/40/569647940.db2.gz XKJBOOBHGDFFRS-NAKRPHOHSA-N 1 0 461.049 6.415 50 0 JKAARO COc1ccccc1[C@@H]1C[N@H+](Cc2cccc(C)n2)C[C@@H]1CN(CC(C)C)C(=O)c1ccccc1 ZINC000034698904 569647974 /nfs/dbraw/zinc/64/79/74/569647974.db2.gz HYBPGDRJOJZFDT-LEAFIULHSA-N 1 0 471.645 5.413 50 0 JKAARO COc1ccccc1C[N@@H+]1C[C@@H](CN(CC(C)C)C(=O)c2ccccc2)[C@@H](c2ccccc2OC)C1 ZINC000034698896 569647981 /nfs/dbraw/zinc/64/79/81/569647981.db2.gz PCVMLOOBHWLPSI-XCZPVHLTSA-N 1 0 486.656 5.718 50 0 JKAARO Cc1ccccc1[C@H]1C[N@H+](Cc2ccccc2F)C[C@@H]1CN(C(=O)c1ccccc1)C1CCCCC1 ZINC000034698867 569648023 /nfs/dbraw/zinc/64/80/23/569648023.db2.gz WKPVCXXRLAMWQM-OFSOJUDTSA-N 1 0 484.659 6.825 50 0 JKAARO Cc1ccccc1[C@@H]1C[N@H+](Cc2ccco2)C[C@@H]1CN(C(=O)c1ccc(F)cc1)C1CCCCC1 ZINC000034698826 569648067 /nfs/dbraw/zinc/64/80/67/569648067.db2.gz ZMFQLTWWTZAALK-FUFSCUOVSA-N 1 0 474.620 6.418 50 0 JKAARO COc1ccccc1[C@@H]1C[N@H+](Cc2ccc(C)s2)C[C@H]1CN(CC(C)C)C(=O)c1ccccc1 ZINC000034698907 569648151 /nfs/dbraw/zinc/64/81/51/569648151.db2.gz QNMGOQHXBZGOJY-RPLLCQBOSA-N 1 0 476.686 6.079 50 0 JKAARO COc1cc(C[N@@H+]2C[C@@H](CN(CC(C)C)C(=O)c3ccccc3)[C@@H](c3ccc(F)cc3)C2)ccc1O ZINC000034699046 569648203 /nfs/dbraw/zinc/64/82/03/569648203.db2.gz GVYLDOMJLRWJFL-AHKZPQOWSA-N 1 0 490.619 5.554 50 0 JKAARO COc1cccc([C@H]2C[N@H+](Cc3ccsc3)C[C@H]2CN(CC(C)C)C(=O)c2ccc(F)cc2)c1 ZINC000034698924 569648291 /nfs/dbraw/zinc/64/82/91/569648291.db2.gz FTUPNUGTVZLNJF-RPLLCQBOSA-N 1 0 480.649 5.910 50 0 JKAARO CC(C)N(C[C@@H]1C[N@H+](Cc2cccn2C)C[C@@H]1c1ccc(F)cc1)C(=O)c1ccc(F)cc1 ZINC000034699056 569648301 /nfs/dbraw/zinc/64/83/01/569648301.db2.gz DCTADPKXNNCYLW-BKMJKUGQSA-N 1 0 451.561 5.070 50 0 JKAARO Cc1ccsc1C[N@H+]1C[C@@H](CN(CC(C)C)C(=O)c2ccc(C)cc2)[C@@H](c2ccccc2)C1 ZINC000034698952 569648334 /nfs/dbraw/zinc/64/83/34/569648334.db2.gz YAWPBOODTDOMLO-RRPNLBNLSA-N 1 0 460.687 6.379 50 0 JKAARO CC(C)N(C[C@@H]1C[N@H+](Cc2ccsc2)C[C@@H]1c1ccc(F)cc1)C(=O)c1ccc(F)cc1 ZINC000034699058 569648443 /nfs/dbraw/zinc/64/84/43/569648443.db2.gz ASIUWBFGNSGBDU-WIOPSUGQSA-N 1 0 454.586 5.793 50 0 JKAARO COc1cc(C[N@@H+]2C[C@H](CN(Cc3ccc(F)cc3)C(C)=O)[C@@H](c3ccc(C)cc3)C2)cc(OC)c1 ZINC000034699259 569648502 /nfs/dbraw/zinc/64/85/02/569648502.db2.gz PKLOIWUEXNKRKI-PDDLMNHVSA-N 1 0 490.619 5.416 50 0 JKAARO Cc1cccc(-c2nnc3c4ccc(Cl)cc4nc(N4CCN(Cc5cccc(F)c5)CC4)n23)c1 ZINC000034707917 569650065 /nfs/dbraw/zinc/65/00/65/569650065.db2.gz RMCWPQZOYBQXBM-UHFFFAOYSA-N 1 0 486.982 5.368 50 0 JKAARO Clc1ccc2c3nnc(C4CCCCC4)n3c(N3CCC[N@H+](Cc4ccco4)CC3)nc2c1 ZINC000034707927 569650076 /nfs/dbraw/zinc/65/00/76/569650076.db2.gz KVNYDJJTHFKARQ-UHFFFAOYSA-N 1 0 465.001 5.284 50 0 JKAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(-c2cnc(NC3CCCCC3)nc2)cc1 ZINC000065025573 569650697 /nfs/dbraw/zinc/65/06/97/569650697.db2.gz HUVJJHNGRKNGAV-UHFFFAOYSA-N 1 0 469.633 5.283 50 0 JKAARO O=C(NCc1cccc(C(F)(F)F)c1)[C@H]1C[C@@H](c2ccccc2)C[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000034711124 569650731 /nfs/dbraw/zinc/65/07/31/569650731.db2.gz UCHLTSVVRWXOGG-YADHBBJMSA-N 1 0 488.500 5.906 50 0 JKAARO CCc1ccc([C@@H]2C[C@H](C(=O)Nc3ccc(OC)cc3)C[N@H+](Cc3ccc(OC)cc3)C2)cc1 ZINC000034711370 569650877 /nfs/dbraw/zinc/65/08/77/569650877.db2.gz KKCQDROKYWADCQ-RPBOFIJWSA-N 1 0 458.602 5.511 50 0 JKAARO Cc1cc([C@@H]2C[C@@H](C(=O)NCCc3ccccc3)C[N@H+](Cc3ccccc3Cl)C2)ccc1F ZINC000034716700 569651677 /nfs/dbraw/zinc/65/16/77/569651677.db2.gz CKLLAPHFIQUQEU-JWQCQUIFSA-N 1 0 465.012 5.752 50 0 JKAARO Cc1cc([C@H]2C[C@@H](C(=O)NCCc3ccccc3)C[N@H+](Cc3ccccc3Cl)C2)ccc1F ZINC000034716701 569651692 /nfs/dbraw/zinc/65/16/92/569651692.db2.gz CKLLAPHFIQUQEU-LOSJGSFVSA-N 1 0 465.012 5.752 50 0 JKAARO Cc1cc([C@H]2C[C@H](C(=O)NCc3ccccc3)C[N@H+](Cc3ccccc3Cl)C2)ccc1F ZINC000034716671 569651699 /nfs/dbraw/zinc/65/16/99/569651699.db2.gz HQXPOONHPNENIO-ZEQRLZLVSA-N 1 0 450.985 5.710 50 0 JKAARO COc1ccc(NC(=O)[C@H]2C[C@@H](c3ccc(F)c(C)c3)C[N@H+](Cc3ccccc3Cl)C2)cc1 ZINC000034716682 569651727 /nfs/dbraw/zinc/65/17/27/569651727.db2.gz ZAXWZCNDEVHJJM-YADHBBJMSA-N 1 0 466.984 6.041 50 0 JKAARO COc1ccc(CCNC(=O)[C@H]2C[C@H](c3ccc(F)c(C)c3)C[N@H+](Cc3cccc(OC)c3)C2)cc1 ZINC000034716829 569651836 /nfs/dbraw/zinc/65/18/36/569651836.db2.gz OGJQGQDANNVDTH-UIOOFZCWSA-N 1 0 490.619 5.116 50 0 JKAARO Cc1cccc(CNC(=O)[C@H]2C[C@@H](c3ccc(F)c(C)c3)C[N@H+](Cc3ccccc3Cl)C2)c1 ZINC000034716807 569651873 /nfs/dbraw/zinc/65/18/73/569651873.db2.gz RGVNQYIRXFLSKD-RPBOFIJWSA-N 1 0 465.012 6.018 50 0 JKAARO Cc1cccc(CNC(=O)[C@@H]2C[C@H](c3ccc(F)c(C)c3)C[N@H+](Cc3ccccc3Cl)C2)c1 ZINC000034716804 569651900 /nfs/dbraw/zinc/65/19/00/569651900.db2.gz RGVNQYIRXFLSKD-LOSJGSFVSA-N 1 0 465.012 6.018 50 0 JKAARO Cc1cccc(CNC(=O)[C@@H]2C[C@H](c3ccc(F)cc3)C[N@H+](Cc3ccc(F)cc3F)C2)c1 ZINC000034716760 569651967 /nfs/dbraw/zinc/65/19/67/569651967.db2.gz DOGFDCOVMRUCNZ-XZOQPEGZSA-N 1 0 452.520 5.334 50 0 JKAARO COc1ccc(C[N@H+]2C[C@@H](c3ccc(F)c(C)c3)C[C@H](C(=O)NCc3cccc(F)c3)C2)cc1 ZINC000034716861 569651977 /nfs/dbraw/zinc/65/19/77/569651977.db2.gz ZSUCSJQAWSHURC-ZEQRLZLVSA-N 1 0 464.556 5.204 50 0 JKAARO COc1ccccc1[C@@H](CCN1CC[NH+](Cc2ccccc2)CC1)Oc1cccc(N(C)C)c1 ZINC000034727657 569652947 /nfs/dbraw/zinc/65/29/47/569652947.db2.gz NYKDDKASFHXKNQ-GDLZYMKVSA-N 1 0 459.634 5.089 50 0 JKAARO Cc1ccc(Cl)c(O[C@@H](CC[NH+]2CCN(c3ccccc3C)CC2)c2ccc(F)cc2)c1 ZINC000034726663 569652969 /nfs/dbraw/zinc/65/29/69/569652969.db2.gz UXBZFYKRPIVFLY-SANMLTNESA-N 1 0 453.001 6.428 50 0 JKAARO Cc1ccc(Cl)c(O[C@H](CC[NH+]2CCN(c3ccc(F)cc3)CC2)c2ccc(F)cc2)c1 ZINC000034726823 569652977 /nfs/dbraw/zinc/65/29/77/569652977.db2.gz GHAJELIYXDLBKA-RUZDIDTESA-N 1 0 456.964 6.259 50 0 JKAARO COc1ccccc1[C@H](CCN1CC[NH+](Cc2ccccc2)CC1)Oc1cccc(N(C)C)c1 ZINC000034727654 569652992 /nfs/dbraw/zinc/65/29/92/569652992.db2.gz NYKDDKASFHXKNQ-LJAQVGFWSA-N 1 0 459.634 5.089 50 0 JKAARO COc1ccccc1N1CC[NH+](CC[C@H](Oc2ccccc2Cl)c2cccc(F)c2)CC1 ZINC000034727693 569653089 /nfs/dbraw/zinc/65/30/89/569653089.db2.gz GCDGQVUFPGYHEV-DEOSSOPVSA-N 1 0 454.973 5.820 50 0 JKAARO Fc1ccc([C@@H](CC[NH+]2CCN(c3ccc(F)cc3)CC2)Oc2ccc(F)cc2Cl)cc1 ZINC000034726811 569653107 /nfs/dbraw/zinc/65/31/07/569653107.db2.gz ZRVASWBSRGBIPC-XMMPIXPASA-N 1 0 460.927 6.090 50 0 JKAARO Cc1ccc(O[C@H](CC[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)c2cccc(F)c2)cc1 ZINC000034727802 569653137 /nfs/dbraw/zinc/65/31/37/569653137.db2.gz AHBQUOJXAFKMTO-AREMUKBSSA-N 1 0 462.565 5.191 50 0 JKAARO CC(C)c1cccc(O[C@H](CC[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)c2cccc(F)c2)c1 ZINC000034727783 569653221 /nfs/dbraw/zinc/65/32/21/569653221.db2.gz DWHOBYMASOWPFF-MUUNZHRXSA-N 1 0 490.619 6.006 50 0 JKAARO COc1cccc(O[C@@H](CCN2CC[NH+](Cc3ccccc3)CC2)c2cccc(Cl)c2)c1 ZINC000034728545 569653254 /nfs/dbraw/zinc/65/32/54/569653254.db2.gz JFJIZZLPYQQIES-MHZLTWQESA-N 1 0 451.010 5.677 50 0 JKAARO COc1ccccc1CNC(=O)c1ccc(C)nc1C1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000034730063 569653284 /nfs/dbraw/zinc/65/32/84/569653284.db2.gz RWXCDVVZTWYUPW-UHFFFAOYSA-N 1 0 497.561 5.727 50 0 JKAARO COc1cccc(C[NH+]2CCC(c3nc(C)ccc3C(=O)N3CCC[C@H]4CCCC[C@H]43)CC2)c1 ZINC000034730123 569653289 /nfs/dbraw/zinc/65/32/89/569653289.db2.gz KTWLBULCGYHXRM-YIXXDRMTSA-N 1 0 461.650 5.573 50 0 JKAARO COc1cccc(N2CCN(C(=O)c3ccc(C)nc3C3CC[NH+](CC4CCCCC4)CC3)CC2)c1 ZINC000034730218 569653370 /nfs/dbraw/zinc/65/33/70/569653370.db2.gz SMMMTKBQRJPNSZ-UHFFFAOYSA-N 1 0 490.692 5.121 50 0 JKAARO Cc1ccc(C(=O)N2CCc3ccccc3C2)c(C2CC[NH+](Cc3ccccc3Cl)CC2)n1 ZINC000034730179 569653392 /nfs/dbraw/zinc/65/33/92/569653392.db2.gz LWHJBQBAPXVXEZ-UHFFFAOYSA-N 1 0 460.021 5.622 50 0 JKAARO COc1ccccc1CCNC(=O)[C@@H]1C[C@@H](c2cccc(C)c2)C[N@H+](Cc2cccc(F)c2)C1 ZINC000034733679 569653427 /nfs/dbraw/zinc/65/34/27/569653427.db2.gz FLOBESPAVDAICB-CLJLJLNGSA-N 1 0 460.593 5.107 50 0 JKAARO COc1ccc(NC(=O)[C@H]2C[C@@H](c3cccc(C)c3)C[N@H+](Cc3cccc(F)c3)C2)cc1OC ZINC000034733622 569653477 /nfs/dbraw/zinc/65/34/77/569653477.db2.gz HLFNKZCTLMYOAD-PKTZIBPZSA-N 1 0 462.565 5.396 50 0 JKAARO COc1ccc(NC(=O)[C@H]2C[C@@H](c3ccccc3)C[N@H+](Cc3ccc(F)cc3F)C2)c(OC)c1 ZINC000034733448 569653537 /nfs/dbraw/zinc/65/35/37/569653537.db2.gz JVMLLBZFXANGEU-RTWAWAEBSA-N 1 0 466.528 5.226 50 0 JKAARO Cc1ccc(-c2ncn(C3CCCCC3)c2-c2ccc(C(=O)NCC[NH+]3CCCCC3)o2)cc1 ZINC000065036813 569653639 /nfs/dbraw/zinc/65/36/39/569653639.db2.gz HHOWSZWPHQKBIJ-UHFFFAOYSA-N 1 0 460.622 5.839 50 0 JKAARO Cc1ccc(-c2ncn(C3CCCCC3)c2-c2ccc(C(=O)NCC[N@@H+](C)Cc3ccccc3)o2)cc1 ZINC000065036842 569653695 /nfs/dbraw/zinc/65/36/95/569653695.db2.gz UWPXXMVDZYPSDX-UHFFFAOYSA-N 1 0 496.655 6.486 50 0 JKAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCC2)o1 ZINC000065054984 569653885 /nfs/dbraw/zinc/65/38/85/569653885.db2.gz JPAPTNYTSJTKIS-IBGZPJMESA-N 1 0 464.585 5.669 50 0 JKAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCC2)o1 ZINC000065054976 569653905 /nfs/dbraw/zinc/65/39/05/569653905.db2.gz JEGGFNRIFSMGEZ-QHCPKHFHSA-N 1 0 492.639 6.449 50 0 JKAARO CC[NH+](CC)CCNC(=O)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCCC2)o1 ZINC000065055063 569653952 /nfs/dbraw/zinc/65/39/52/569653952.db2.gz KHNJAJSVPBFULB-UHFFFAOYSA-N 1 0 452.574 5.526 50 0 JKAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cccc(-c2cnc(Oc3ccc(F)cc3)nc2)c1 ZINC000065058019 569654741 /nfs/dbraw/zinc/65/47/41/569654741.db2.gz YIADDBSGXCVQFT-UHFFFAOYSA-N 1 0 482.559 5.469 50 0 JKAARO COc1ccccc1CCNC(=O)[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+](Cc2ccc(F)cc2F)C1 ZINC000034739952 569655074 /nfs/dbraw/zinc/65/50/74/569655074.db2.gz CYWXKWSRZWYYQN-DHIUTWEWSA-N 1 0 482.546 5.077 50 0 JKAARO COc1ccc(NC(=O)[C@H]2C[C@H](c3ccc(F)c(C)c3)C[N@H+](Cc3ccccc3Cl)C2)c(OC)c1 ZINC000034739939 569655106 /nfs/dbraw/zinc/65/51/06/569655106.db2.gz CEQGKCIZFNTOOO-VXKWHMMOSA-N 1 0 497.010 6.049 50 0 JKAARO CCn1cc(C[NH+]2CCC(C(=O)N[C@H](C)CCc3ccccc3)CC2)c2cc(Cl)ccc21 ZINC000065060055 569655202 /nfs/dbraw/zinc/65/52/02/569655202.db2.gz OQDOKEFOVWPQAG-HXUWFJFHSA-N 1 0 452.042 5.664 50 0 JKAARO COc1cccc([C@H]2C[N@H+](Cc3ccc(Cl)cc3)C[C@H]2CN(CC(C)C)C(=O)C(C)C)c1 ZINC000034740296 569655246 /nfs/dbraw/zinc/65/52/46/569655246.db2.gz OQZHOFIAJOWLSA-JYFHCDHNSA-N 1 0 457.058 5.705 50 0 JKAARO COc1ccccc1CCNC(=O)[C@H]1C[C@H](c2ccc(F)c(C)c2)C[N@H+](Cc2ccc(F)cc2)C1 ZINC000034740151 569655258 /nfs/dbraw/zinc/65/52/58/569655258.db2.gz BHKDRWYGXDNCDH-DQEYMECFSA-N 1 0 478.583 5.246 50 0 JKAARO COc1ccccc1N1CC[NH+](CC[C@@H](Oc2ccc(C(C)C)c(C)c2)c2cccc(F)c2)CC1 ZINC000034740111 569655264 /nfs/dbraw/zinc/65/52/64/569655264.db2.gz OHLHCSQREBOETC-GDLZYMKVSA-N 1 0 476.636 6.599 50 0 JKAARO COc1ccccc1N1CC[NH+](CC[C@H](Oc2ccc(C(C)C)c(C)c2)c2ccc(F)cc2)CC1 ZINC000034740112 569655272 /nfs/dbraw/zinc/65/52/72/569655272.db2.gz KZNSMFXJMOEUHK-LJAQVGFWSA-N 1 0 476.636 6.599 50 0 JKAARO COc1ccccc1N1CC[NH+](CC[C@@H](Oc2ccc(C(C)C)c(C)c2)c2ccccc2F)CC1 ZINC000034740103 569655433 /nfs/dbraw/zinc/65/54/33/569655433.db2.gz BPCYSYQIFMJSQA-GDLZYMKVSA-N 1 0 476.636 6.599 50 0 JKAARO COc1cc(C[N@H+]2C[C@@H](c3ccc(C)cc3)[C@@H](CN(C(=O)C(C)C)C(C)C)C2)cc(OC)c1 ZINC000034740724 569655581 /nfs/dbraw/zinc/65/55/81/569655581.db2.gz ZIYWPDNBALTJNA-SQHAQQRYSA-N 1 0 452.639 5.121 50 0 JKAARO Cc1ccc(-c2nc(-c3ccc(C(=O)NC4CC[NH+](Cc5ccccc5)CC4)s3)no2)cc1 ZINC000065062944 569656247 /nfs/dbraw/zinc/65/62/47/569656247.db2.gz UVSHFVVIQSJOAF-UHFFFAOYSA-N 1 0 458.587 5.168 50 0 JKAARO Nc1c(NC(=O)N2CC[NH+](C3CCCC3)CC2)c(-c2ccccc2)nn1-c1ccc(C(F)(F)F)cc1 ZINC000034785301 569659269 /nfs/dbraw/zinc/65/92/69/569659269.db2.gz AWCMMOZDMGQNEE-UHFFFAOYSA-N 1 0 498.553 5.232 50 0 JKAARO COc1ccc(CC(=O)Nc2ccc3c(c2)C(N2CC[NH+](C(C)C)CC2)=Nc2ccccc2O3)cc1 ZINC000034790579 569660117 /nfs/dbraw/zinc/66/01/17/569660117.db2.gz OPEKSXFJNBZPER-UHFFFAOYSA-N 1 0 484.600 5.086 50 0 JKAARO CCOC(=O)c1c(NC(=O)[C@H]([NH2+]CCc2ccccc2)c2ccccc2)sc2c1CC[C@H](C)C2 ZINC000034800869 569661203 /nfs/dbraw/zinc/66/12/03/569661203.db2.gz FHJCBZLGQCRZQP-UQBPGWFLSA-N 1 0 476.642 5.562 50 0 JKAARO CCCN(Cc1c(C)nn(-c2ccccc2)c1N1CC[NH+](CC)CC1)C(=O)c1cccc(Cl)c1 ZINC000034814880 569662888 /nfs/dbraw/zinc/66/28/88/569662888.db2.gz MJTHEOMMZBQGLL-UHFFFAOYSA-N 1 0 480.056 5.028 50 0 JKAARO CC[NH+]1CCN(c2c(CN(CC(C)C)C(=O)Nc3cccc(C)c3)c(C)nn2-c2ccccc2)CC1 ZINC000034829562 569663100 /nfs/dbraw/zinc/66/31/00/569663100.db2.gz SMEPXBJHIDCDLC-UHFFFAOYSA-N 1 0 488.680 5.321 50 0 JKAARO CCCN(Cc1c(C)nn(-c2ccccc2)c1N1CC[NH+](CC)CC1)C(=O)Nc1cccc(Cl)c1 ZINC000034829553 569663257 /nfs/dbraw/zinc/66/32/57/569663257.db2.gz UKGVOGQLXFQICW-UHFFFAOYSA-N 1 0 495.071 5.420 50 0 JKAARO CCCC[C@H](CC)C(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2C)CC1 ZINC000034830335 569663791 /nfs/dbraw/zinc/66/37/91/569663791.db2.gz IRXHKOJMANALLP-WCYRKSIYSA-N 1 0 495.733 5.280 50 0 JKAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cc(-c2ccccc2)nc2cc(-c3ccccc3)nn21 ZINC000034831649 569664313 /nfs/dbraw/zinc/66/43/13/569664313.db2.gz DGYYPFPIHZXQKH-UHFFFAOYSA-N 1 0 487.607 5.458 50 0 JKAARO CC[NH+]1CCN(c2c(CN(CCC(C)C)C(=O)NC3CCCCC3)c(C)nn2-c2ccccc2)CC1 ZINC000034832210 569664403 /nfs/dbraw/zinc/66/44/03/569664403.db2.gz LIQSFLCYIFEYIF-UHFFFAOYSA-N 1 0 494.728 5.213 50 0 JKAARO CC[C@H](C)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](CC)CC1)C(=O)NC1CCCCC1 ZINC000034832186 569664425 /nfs/dbraw/zinc/66/44/25/569664425.db2.gz OTAYZDBHNFTBML-NRFANRHFSA-N 1 0 498.691 5.105 50 0 JKAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cc(-c2ccccc2F)n2nc(-c3ccccc3)cc2n1 ZINC000034832785 569664588 /nfs/dbraw/zinc/66/45/88/569664588.db2.gz PCNGVCQFEJVCPS-HXUWFJFHSA-N 1 0 473.596 5.443 50 0 JKAARO CCCC[C@H](CC)C(=O)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](C(C)C)CC1)C(C)C ZINC000034835704 569665081 /nfs/dbraw/zinc/66/50/81/569665081.db2.gz CNYDLPSUTIGSBS-DEOSSOPVSA-N 1 0 499.719 5.804 50 0 JKAARO CCCN(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](C)CC1)Cc1ccccc1Cl ZINC000034835940 569665155 /nfs/dbraw/zinc/66/51/55/569665155.db2.gz HDHQOBQPVLYSHH-UHFFFAOYSA-N 1 0 470.036 5.137 50 0 JKAARO CCc1nn(-c2ccc(F)cc2)c(N2CCN(C)CC2)c1C[N@@H+](Cc1cccs1)[C@H](C)CC ZINC000034836345 569665361 /nfs/dbraw/zinc/66/53/61/569665361.db2.gz VJFHNUKOYVDIQW-HXUWFJFHSA-N 1 0 469.674 5.188 50 0 JKAARO CCc1nn(-c2cccc(C)c2)c(N2CC[NH+](C)CC2)c1CN(Cc1ccccc1F)C(C)C ZINC000034836625 569665864 /nfs/dbraw/zinc/66/58/64/569665864.db2.gz NUGKWOONYYFVFF-UHFFFAOYSA-N 1 0 463.645 5.045 50 0 JKAARO CCc1nn(-c2cccc(C)c2)c(N2CC[NH+](C)CC2)c1CN(CC)Cc1ccccc1Cl ZINC000034836719 569665945 /nfs/dbraw/zinc/66/59/45/569665945.db2.gz FAWPOHAYNSRHLM-UHFFFAOYSA-N 1 0 466.073 5.170 50 0 JKAARO CCc1nn(-c2cccc(C)c2)c(N2CC[NH+](C)CC2)c1CN(Cc1ccc(Cl)cc1)C1CC1 ZINC000034836667 569665968 /nfs/dbraw/zinc/66/59/68/569665968.db2.gz ATCVYKIHAHVRSX-UHFFFAOYSA-N 1 0 478.084 5.313 50 0 JKAARO CCc1nn(-c2cccc(C)c2)c(N2CCN(C)CC2)c1C[N@H+](C[C@@H](C)c1ccccc1)C(C)C ZINC000034836637 569665999 /nfs/dbraw/zinc/66/59/99/569665999.db2.gz KHJMSQMYBHSWIX-RUZDIDTESA-N 1 0 473.709 5.509 50 0 JKAARO CCc1nn(-c2cccc(C)c2)c(N2CCN(C)CC2)c1C[N@H+](Cc1ccc(C)cc1)C(C)C ZINC000034836616 569666056 /nfs/dbraw/zinc/66/60/56/569666056.db2.gz DYDLERZKHJOQLO-UHFFFAOYSA-N 1 0 459.682 5.214 50 0 JKAARO CCc1nn(-c2cccc(C)c2)c(N2CCN(C)CC2)c1C[N@H+](Cc1ccc(CC)cc1)C(C)C ZINC000034836662 569666084 /nfs/dbraw/zinc/66/60/84/569666084.db2.gz RMWXQTYLPWMDDA-UHFFFAOYSA-N 1 0 473.709 5.468 50 0 JKAARO CCc1nn(-c2cccc(C)c2)c(N2CCN(C)CC2)c1C[N@H+](Cc1cccc(C)c1)C(C)C ZINC000034836651 569666162 /nfs/dbraw/zinc/66/61/62/569666162.db2.gz RIYRZHWURMDQKK-UHFFFAOYSA-N 1 0 459.682 5.214 50 0 JKAARO COc1cccc(C[N@H+](CCC(C)C)Cc2c(C)nn(-c3ccc(F)cc3)c2N2CCN(C)CC2)c1 ZINC000034837013 569666236 /nfs/dbraw/zinc/66/62/36/569666236.db2.gz YUCIZXAHZXXBJZ-UHFFFAOYSA-N 1 0 493.671 5.129 50 0 JKAARO CCc1nn(-c2ccccc2)c(N2CC[NH+](CC)CC2)c1CN(Cc1ccc(CC)cc1)C1CC1 ZINC000034836984 569666323 /nfs/dbraw/zinc/66/63/23/569666323.db2.gz ILSOBLKSORPASU-UHFFFAOYSA-N 1 0 471.693 5.304 50 0 JKAARO O=C(Nc1ccc(Cl)cc1C(F)(F)F)[C@H]([NH2+]CCc1c[nH]c2ccccc12)c1ccccc1 ZINC000034872862 569668566 /nfs/dbraw/zinc/66/85/66/569668566.db2.gz FFGMFKKSOWJYQW-HSZRJFAPSA-N 1 0 471.910 6.352 50 0 JKAARO Cc1ccc(NC(=O)C2CC[NH+](C3CCN(C(=O)c4ccc(Cl)c(Cl)c4)CC3)CC2)cc1 ZINC000034912128 569671627 /nfs/dbraw/zinc/67/16/27/569671627.db2.gz MDDWDOUJIHFLJO-UHFFFAOYSA-N 1 0 474.432 5.257 50 0 JKAARO CCCCc1ccc(C(=O)N2CCC([NH+]3CCC(C(=O)N(C)Cc4ccccc4)CC3)CC2)cc1 ZINC000034912457 569671743 /nfs/dbraw/zinc/67/17/43/569671743.db2.gz ZTBYVIXAKXRUIM-UHFFFAOYSA-N 1 0 475.677 5.004 50 0 JKAARO CCCCN1C(=O)c2ccccc2[C@H](C(=O)NCC[C@@H]2CCC[N@@H+]2C)[C@H]1c1cccc(Cl)c1 ZINC000034927686 569673201 /nfs/dbraw/zinc/67/32/01/569673201.db2.gz OIQJEPXUSCFJHB-GVXSCFBNSA-N 1 0 468.041 5.021 50 0 JKAARO CC[N@H+](CCNC(=O)c1cc2cc3ccc(OC)c(Cl)c3nc2s1)Cc1ccccc1 ZINC000065330835 569674989 /nfs/dbraw/zinc/67/49/89/569674989.db2.gz JAYIZZXBRRPCHY-UHFFFAOYSA-N 1 0 453.995 5.363 50 0 JKAARO Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2Cc4ccccc4C[N@@H+]2[C@@H]3c2ccc(Br)cc2)cc1 ZINC000035369359 569682836 /nfs/dbraw/zinc/68/28/36/569682836.db2.gz IHCCNYSQNVISOB-ZGFBMJKBSA-N 1 0 487.397 5.045 50 0 JKAARO CCc1ccc(NC(=O)CSC2=NC3(CC[NH+](CC)CC3)N=C2c2ccc(Cl)cc2)cc1 ZINC000035372659 569683192 /nfs/dbraw/zinc/68/31/92/569683192.db2.gz NJNSPNZPTVYTNO-UHFFFAOYSA-N 1 0 469.054 5.288 50 0 JKAARO CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccc(Cl)cc1)C(c1ccc(C)cc1)=N2 ZINC000035372807 569683258 /nfs/dbraw/zinc/68/32/58/569683258.db2.gz VMZQDGZLYYTVMD-UHFFFAOYSA-N 1 0 455.027 5.034 50 0 JKAARO CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1cc(C)cc(C)c1)C(c1ccc(C(C)(C)C)cc1)=N2 ZINC000035397164 569687748 /nfs/dbraw/zinc/68/77/48/569687748.db2.gz UHJCRYPLAMBEQW-UHFFFAOYSA-N 1 0 490.717 5.986 50 0 JKAARO C[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccccc1F)C(c1ccc(C(C)(C)C)cc1)=N2 ZINC000035397152 569687780 /nfs/dbraw/zinc/68/77/80/569687780.db2.gz UZIXATLDNJVRPG-UHFFFAOYSA-N 1 0 466.626 5.118 50 0 JKAARO COc1ccc([C@@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)C[NH2+][C@@H]2CCC[C@H](C)[C@H]2C)cc1 ZINC000035401535 569690960 /nfs/dbraw/zinc/69/09/60/569690960.db2.gz KWTDNYWMQJKEKM-ZMFXZXPTSA-N 1 0 469.629 5.940 50 0 JKAARO O=C(Nc1ncc(Cc2cccc(Cl)c2Cl)s1)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000069653694 569693617 /nfs/dbraw/zinc/69/36/17/569693617.db2.gz DLHFYUFBZLQSKR-QGZVFWFLSA-N 1 0 461.418 5.286 50 0 JKAARO CC[N@@H+]1CCc2c(sc3c2CN(C(=O)Nc2ccccc2)[C@H](c2ccc(C)cc2)c2cccn2-3)C1 ZINC000035427390 569694239 /nfs/dbraw/zinc/69/42/39/569694239.db2.gz NAIUCINKIONNDB-HHHXNRCGSA-N 1 0 482.653 6.362 50 0 JKAARO CC[N@@H+]1CCc2c(sc3c2CN(C(=O)Nc2ccccc2F)[C@@H](c2ccccc2)c2cccn2-3)C1 ZINC000035427441 569694389 /nfs/dbraw/zinc/69/43/89/569694389.db2.gz ULFDVCGUAGWVTI-SANMLTNESA-N 1 0 486.616 6.193 50 0 JKAARO CC[N@@H+]1CCc2c(sc3c2CN(C(=O)Nc2ccccc2C)[C@@H](c2ccccc2)c2cccn2-3)C1 ZINC000035427433 569694393 /nfs/dbraw/zinc/69/43/93/569694393.db2.gz HNLAVUQRQDAMNE-MHZLTWQESA-N 1 0 482.653 6.362 50 0 JKAARO CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]5[C@H](C)[C@@]6(CC[C@@H](C)C[NH2+]6)O[C@H]5C[C@H]4[C@H]3CC[C@H]2C1 ZINC000070688077 569695736 /nfs/dbraw/zinc/69/57/36/569695736.db2.gz JOQMJOQWYFDNSH-COEMKXAVSA-N 1 0 457.699 5.938 50 0 biogenic JKAARO CC1CCN(C(=O)C2CC[NH+](Cc3cc4ccccc4n3Cc3ccccc3Cl)CC2)CC1 ZINC000035451443 569696880 /nfs/dbraw/zinc/69/68/80/569696880.db2.gz URINYTPQLSBOKD-UHFFFAOYSA-N 1 0 464.053 5.814 50 0 JKAARO O=C(NCCc1c[nH]c2ccccc12)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccccc2)CC1 ZINC000035451384 569696941 /nfs/dbraw/zinc/69/69/41/569696941.db2.gz DPMMGDMTARAOAJ-UHFFFAOYSA-N 1 0 490.651 5.742 50 0 JKAARO O=c1c2sccc2nc(SCc2ccc(F)cc2Cl)n1CCC[NH+]1CCCCC1 ZINC000071768756 569697637 /nfs/dbraw/zinc/69/76/37/569697637.db2.gz GGCYSWJGRCYVID-UHFFFAOYSA-N 1 0 452.020 5.419 50 0 JKAARO O=c1c2sccc2nc(SCc2c(F)cccc2Cl)n1CCC[NH+]1CCCCC1 ZINC000071768755 569697642 /nfs/dbraw/zinc/69/76/42/569697642.db2.gz CQHCKBMZDDVDKI-UHFFFAOYSA-N 1 0 452.020 5.419 50 0 JKAARO O=C(Nc1ccc2c(c1)OCO2)C1CC[NH+](Cc2cc3ccccc3n2Cc2cccc(F)c2)CC1 ZINC000035511075 569698306 /nfs/dbraw/zinc/69/83/06/569698306.db2.gz KBHCIEVDXKABRD-UHFFFAOYSA-N 1 0 485.559 5.408 50 0 JKAARO CC(C)(C)c1noc(CCCC(=O)N(c2ccccc2)C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000072271954 569701219 /nfs/dbraw/zinc/70/12/19/569701219.db2.gz CCRHSDBTQVWMSO-UHFFFAOYSA-N 1 0 460.622 5.388 50 0 JKAARO CC(C)[N@H+](CCCNC(=O)c1nn(C)c2c1CSc1ccc(Cl)cc1-2)Cc1ccccc1 ZINC000035534869 569701553 /nfs/dbraw/zinc/70/15/53/569701553.db2.gz BFKVJWUWLFITQX-UHFFFAOYSA-N 1 0 469.054 5.377 50 0 JKAARO COc1c2c(cc3c1[C@H](C[C@@H](O)c1cc4c(cc1C)C(C)(C)[C@H](C)CC4(C)C)[N@H+](C)CC3)OCO2 ZINC000072332786 569703111 /nfs/dbraw/zinc/70/31/11/569703111.db2.gz KIIPWXWTCHRTLY-PUZWTLIVSA-N 1 0 479.661 5.980 50 0 biogenic JKAARO CCn1c(C)c(C[NH+]2CCC(C(=O)N3CCN(c4cccc(C)c4)[C@@H](C)C3)CC2)c2ccccc21 ZINC000035562291 569704762 /nfs/dbraw/zinc/70/47/62/569704762.db2.gz BUOPTEAIJCEYDM-QHCPKHFHSA-N 1 0 472.677 5.227 50 0 JKAARO CCn1c(C)c(C[NH+]2CCC(C(=O)N3CCN(c4cccc(C)c4)[C@H](C)C3)CC2)c2ccccc21 ZINC000035562290 569704781 /nfs/dbraw/zinc/70/47/81/569704781.db2.gz BUOPTEAIJCEYDM-HSZRJFAPSA-N 1 0 472.677 5.227 50 0 JKAARO CCn1cc(C[NH+]2CCC(C(=O)N3CCN(c4cc(Cl)ccc4C)CC3)CC2)c2ccccc21 ZINC000035562286 569704833 /nfs/dbraw/zinc/70/48/33/569704833.db2.gz HWFOQGGWQNHAGS-UHFFFAOYSA-N 1 0 479.068 5.184 50 0 JKAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(COc2ccc(OC(F)(F)F)cc2)o1 ZINC000035686478 569706849 /nfs/dbraw/zinc/70/68/49/569706849.db2.gz GNAWDHRPGXPXDT-UHFFFAOYSA-N 1 0 474.479 5.152 50 0 JKAARO Cc1cccc(CN(C(=O)Nc2ccccc2Br)C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000035686849 569706962 /nfs/dbraw/zinc/70/69/62/569706962.db2.gz NGBGKYZGQDCVKF-UHFFFAOYSA-N 1 0 493.449 5.851 50 0 JKAARO Cc1c2oc3c(c2cc2c(C)c(CCC(=O)NC[C@@H]4CCC[N@@H+]5CCCC[C@H]45)c(=O)oc12)CCCC3 ZINC000079188318 569707020 /nfs/dbraw/zinc/70/70/20/569707020.db2.gz VDLYPUNKADCWHI-NBGIEHNGSA-N 1 0 490.644 5.348 50 0 biogenic JKAARO Cc1c2occ(C(C)(C)C)c2cc2c(C)c(CCC(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)c(=O)oc12 ZINC000079188573 569707074 /nfs/dbraw/zinc/70/70/74/569707074.db2.gz AILNQBVJVFAWKW-NBGIEHNGSA-N 1 0 492.660 5.767 50 0 biogenic JKAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)CCCSc1nc2ccccc2c(=O)n1-c1ccccc1F ZINC000035700376 569707164 /nfs/dbraw/zinc/70/71/64/569707164.db2.gz MBFHEZSVFQBVHC-HXUWFJFHSA-N 1 0 498.668 5.024 50 0 JKAARO CC(C)(C)c1cc(N(CC[NH3+])c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1 ZINC000082048487 569707959 /nfs/dbraw/zinc/70/79/59/569707959.db2.gz CUXUAAZRJVGOMY-UHFFFAOYSA-N 1 0 468.726 7.385 50 0 JKAARO Cc1cccc(C(=O)N(CC[NH+]2CCCCC2)Cc2csc(COc3ccccc3C(C)C)n2)c1 ZINC000035742043 569709429 /nfs/dbraw/zinc/70/94/29/569709429.db2.gz YHBQFHGERVOBJY-UHFFFAOYSA-N 1 0 491.701 6.282 50 0 JKAARO CCOc1cccc(-c2ccc3nc(-c4ccc(Cl)cc4)c(CN4CC[NH+](CC)CC4)n3c2)c1 ZINC000085421385 569710793 /nfs/dbraw/zinc/71/07/93/569710793.db2.gz LPIPYJZVKIQFEY-UHFFFAOYSA-N 1 0 475.036 5.858 50 0 JKAARO Cc1ccc(Cn2cc([C@H](CC(=O)NCC[NH+]3CCCCC3)c3ccc(F)cc3)c3ccccc32)cc1 ZINC000035815752 569712511 /nfs/dbraw/zinc/71/25/11/569712511.db2.gz IGXRCJGEZYHEHX-GDLZYMKVSA-N 1 0 497.658 6.261 50 0 JKAARO COc1ccc(Nc2nc(C(=O)NCC[NH+]3CCC(Cc4ccccc4)CC3)cc3occc32)cc1 ZINC000085651162 569713087 /nfs/dbraw/zinc/71/30/87/569713087.db2.gz BPFVULSKKDCIOK-UHFFFAOYSA-N 1 0 484.600 5.265 50 0 JKAARO O=C(NCC[NH+]1CCC(Cc2ccccc2)CC1)c1cc2occc2c(Nc2ccc(F)cc2)n1 ZINC000085651198 569713122 /nfs/dbraw/zinc/71/31/22/569713122.db2.gz ZYUBUKKESMHWKT-UHFFFAOYSA-N 1 0 472.564 5.395 50 0 JKAARO CN(C)c1ccc(C2=[NH+]O[C@@H](CN(Cc3ccc(C(F)(F)F)cc3)C(=O)C3CCCC3)C2)cc1 ZINC000035835132 569713383 /nfs/dbraw/zinc/71/33/83/569713383.db2.gz GTXUTQKWEAJXEE-HSZRJFAPSA-N 1 0 473.539 5.483 50 0 JKAARO COc1cccc(Cn2cccc2C[N@H+](C[C@H](O)COCc2ccco2)CC2CCCCC2)c1 ZINC000035840866 569713991 /nfs/dbraw/zinc/71/39/91/569713991.db2.gz NMNVSEUYZRJBBV-SANMLTNESA-N 1 0 466.622 5.098 50 0 JKAARO COc1ccc(OC[C@@H](O)C[N@H+](Cc2cccn2Cc2cccc(F)c2)C2CCCCC2)cc1 ZINC000035840804 569713997 /nfs/dbraw/zinc/71/39/97/569713997.db2.gz HNUYMRTULHBEBQ-SANMLTNESA-N 1 0 466.597 5.259 50 0 JKAARO COc1cccc(C[N@H+](Cc2cccn2Cc2cccc(C(F)(F)F)c2)C2CCCCC2)c1 ZINC000035841158 569714002 /nfs/dbraw/zinc/71/40/02/569714002.db2.gz IEGBMTPGXMHUGV-UHFFFAOYSA-N 1 0 456.552 6.899 50 0 JKAARO COC(=O)c1ccccc1C[N@@H+](Cc1cccn1Cc1cccc(C(F)(F)F)c1)CC(C)C ZINC000035841155 569714019 /nfs/dbraw/zinc/71/40/19/569714019.db2.gz ZGOFOMDFKJBFHG-UHFFFAOYSA-N 1 0 458.524 6.000 50 0 JKAARO CCCC[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@H](O)CC ZINC000035842628 569714140 /nfs/dbraw/zinc/71/41/40/569714140.db2.gz BMFMQWJVDVDFOY-HHHXNRCGSA-N 1 0 491.720 5.910 50 0 JKAARO CC(C)[C@H](O)C[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C(C)C ZINC000035842642 569714223 /nfs/dbraw/zinc/71/42/23/569714223.db2.gz OQBKLQBOZCMYMW-GDLZYMKVSA-N 1 0 491.720 5.764 50 0 JKAARO Fc1ccc(C[N@@H+](Cc2cccn2Cc2ccc(C(F)(F)F)cc2)CC2CCCCC2)cc1F ZINC000035844703 569715223 /nfs/dbraw/zinc/71/52/23/569715223.db2.gz MFBVYOIUUMYYFA-UHFFFAOYSA-N 1 0 476.533 7.416 50 0 JKAARO CC(C)[C@H](C)[N@H+](Cc1cccn1Cc1ccc(C(F)(F)F)cc1)Cc1cc(F)cc(F)c1 ZINC000035844698 569715271 /nfs/dbraw/zinc/71/52/71/569715271.db2.gz TYTWVPDEUOWSPB-SFHVURJKSA-N 1 0 450.495 6.880 50 0 JKAARO CC[C@@H](C)[N@H+](CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1cccc(Cl)c1 ZINC000035844783 569715324 /nfs/dbraw/zinc/71/53/24/569715324.db2.gz GTBSBYQPZYIBHC-OAQYLSRUSA-N 1 0 453.026 6.113 50 0 JKAARO CC[C@H](C)[N@H+](CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1cccc(C(=O)OC)c1 ZINC000035844806 569715384 /nfs/dbraw/zinc/71/53/84/569715384.db2.gz KYDRCYGOWQBAKT-QFIPXVFZSA-N 1 0 476.617 5.247 50 0 JKAARO COCCC[N@H+](CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1ccc(C(C)(C)C)cc1 ZINC000035844863 569715408 /nfs/dbraw/zinc/71/54/08/569715408.db2.gz RROWKGKMMVDBSR-UHFFFAOYSA-N 1 0 490.688 5.996 50 0 JKAARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1 ZINC000085879771 569716500 /nfs/dbraw/zinc/71/65/00/569716500.db2.gz CXIJAFUMCMCPCD-LAUBAEHRSA-N 1 0 460.405 5.240 50 0 biogenic JKAARO O=C(NCc1ccccc1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@H]12 ZINC000035871433 569718793 /nfs/dbraw/zinc/71/87/93/569718793.db2.gz XRYZNNMREQSSSX-AZGAKELHSA-N 1 0 497.536 5.024 50 0 JKAARO COc1ccc2c(c1)N1CC[N@@H+](Cc3ccc(Cl)cc3)C[C@@H]1[C@H](C(=O)N[C@@H](C)c1ccccc1)C2 ZINC000035871737 569718978 /nfs/dbraw/zinc/71/89/78/569718978.db2.gz QAIYRSQDAWAHMC-TUDQOENJSA-N 1 0 490.047 5.089 50 0 JKAARO CCn1cc([C@H](CC(=O)NCC[NH+]2CCCCC2)c2cccc(Oc3ccccc3)c2)c2ccccc21 ZINC000035872200 569719198 /nfs/dbraw/zinc/71/91/98/569719198.db2.gz GELHRDWSZPZNIT-GDLZYMKVSA-N 1 0 495.667 6.578 50 0 JKAARO CCn1cc([C@@H](CC(=O)N(CC[NH+](C)C)Cc2ccccc2)c2cccc(C)c2)c2ccccc21 ZINC000035872464 569719367 /nfs/dbraw/zinc/71/93/67/569719367.db2.gz UUJXUYFPJGJCJT-NDEPHWFRSA-N 1 0 467.657 6.082 50 0 JKAARO CCc1cccc2c([C@H](CC(=O)NCCC[N@@H+]3CCCC[C@@H]3C)c3ccc(Cl)cc3)c[nH]c21 ZINC000035888742 569721433 /nfs/dbraw/zinc/72/14/33/569721433.db2.gz WUIGXMGIOVTSLX-NBGIEHNGSA-N 1 0 466.069 6.286 50 0 JKAARO CCc1cccc2c([C@H](CC(=O)NCCC[N@@H+]3CCCC[C@@H]3C)c3cccc(OC)c3)c[nH]c21 ZINC000035889380 569721569 /nfs/dbraw/zinc/72/15/69/569721569.db2.gz STMRDAIUTZRKPM-HFZDXXHNSA-N 1 0 461.650 5.642 50 0 JKAARO Cn1cc([C@H](CC(=O)NCC[NH+]2CCCCC2)c2cccc(C(F)(F)F)c2)c2ccccc21 ZINC000035891761 569722158 /nfs/dbraw/zinc/72/21/58/569722158.db2.gz GHWTVDWUJLEODG-JOCHJYFZSA-N 1 0 457.540 5.321 50 0 JKAARO CCC[NH+](CCC)CCN1CCN(c2nc(C3CC3)nc3sc4c(c32)CCCCC4)CC1 ZINC000035892952 569722576 /nfs/dbraw/zinc/72/25/76/569722576.db2.gz LVGKQHBUBWTISG-UHFFFAOYSA-N 1 0 455.716 5.082 50 0 JKAARO O[C@H](Cn1c2ccccc2c2ccccc21)C[NH+]1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000095398219 569723105 /nfs/dbraw/zinc/72/31/05/569723105.db2.gz QSOCLADLLOBEPI-QHCPKHFHSA-N 1 0 473.620 5.543 50 0 JKAARO O=C(NC1CCCCC1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@@H]12 ZINC000035908040 569723651 /nfs/dbraw/zinc/72/36/51/569723651.db2.gz BBGGUECQDVGRJY-ZCYQVOJMSA-N 1 0 489.557 5.157 50 0 JKAARO CCc1cccc2c([C@H](CC(=O)N[C@H](C)CCC[NH+](CC)CC)c3ccccc3OC)c[nH]c21 ZINC000035908362 569724121 /nfs/dbraw/zinc/72/41/21/569724121.db2.gz JWCJNCSVUDJIQL-PXDATVDWSA-N 1 0 463.666 5.888 50 0 JKAARO Cc1ncc(C[N@H+](C)Cc2ccccc2)c2cc(-c3cc(=O)oc4cc5c(cc43)OCO5)oc21 ZINC000095476359 569724349 /nfs/dbraw/zinc/72/43/49/569724349.db2.gz NNQZPRIBVDLLQU-UHFFFAOYSA-N 1 0 454.482 5.270 50 0 JKAARO O[C@@H](Cn1c2ccccc2c2ccccc21)C[NH+]1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000095483615 569725101 /nfs/dbraw/zinc/72/51/01/569725101.db2.gz WJYSGRZSOSVSBB-OAQYLSRUSA-N 1 0 468.428 5.280 50 0 JKAARO O=C(C[C@@H](c1c[nH]c2ccccc21)c1ccc(OCc2ccccc2)cc1)NCC[NH+]1CCCC1 ZINC000035910591 569725966 /nfs/dbraw/zinc/72/59/66/569725966.db2.gz NTCQHTUEWNHMEH-HHHXNRCGSA-N 1 0 467.613 5.481 50 0 JKAARO CC(C)c1cc(C(C)C)c(-c2cccc([PH+](C3CCCCC3)C3CCCCC3)c2)c(C(C)C)c1 ZINC000095611365 569728081 /nfs/dbraw/zinc/72/80/81/569728081.db2.gz WIOWHADKSXUKEZ-UHFFFAOYSA-N 1 0 476.729 10.496 50 0 JKAARO CCCc1nc2c(cnn2-c2ccccc2)c(N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)n1 ZINC000035925658 569729018 /nfs/dbraw/zinc/72/90/18/569729018.db2.gz AOZJQDRMSDIJGF-UHFFFAOYSA-N 1 0 480.538 5.109 50 0 JKAARO CCC[C@H](C)c1nc2c(cnn2-c2ccccc2)c(N2CCC[N@H+](Cc3ccc(OC)cc3)CC2)n1 ZINC000035926123 569729407 /nfs/dbraw/zinc/72/94/07/569729407.db2.gz GHFHULZGHFSAQP-QFIPXVFZSA-N 1 0 484.648 5.440 50 0 JKAARO CCCC/C(=C(/c1ccc(OC)cc1)c1ccc(OCC[NH+]2CCCC2)cc1)c1ccccc1 ZINC000095918072 569729388 /nfs/dbraw/zinc/72/93/88/569729388.db2.gz XUVJWRMVZQWBPT-NVQSTNCTSA-N 1 0 455.642 7.319 50 0 JKAARO CN1C=C/C(=C/C=C2/CCCC(/C=C\c3cc[n+](C)c4ccccc34)=C2Cl)c2ccccc21 ZINC000095913049 569729446 /nfs/dbraw/zinc/72/94/46/569729446.db2.gz VDDBPMGAVBSQSO-UHFFFAOYSA-N 1 0 452.021 7.328 50 0 JKAARO COc1ccc(/C(=C(/CC(C)C)c2ccccc2)c2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000095918074 569729473 /nfs/dbraw/zinc/72/94/73/569729473.db2.gz KECNNCSXZJZARI-NVQSTNCTSA-N 1 0 455.642 7.175 50 0 JKAARO CCC[C@@H](C)c1nc2c(cnn2-c2ccccc2)c(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)n1 ZINC000035926126 569729561 /nfs/dbraw/zinc/72/95/61/569729561.db2.gz OLRNNQDDLVXLDQ-OAQYLSRUSA-N 1 0 472.612 5.571 50 0 JKAARO Fc1ccc(C(CCC[N@H+]2CC=C(Oc3ccc(F)c(Cl)c3)CC2)c2ccc(F)cc2)cc1 ZINC000095918220 569729622 /nfs/dbraw/zinc/72/96/22/569729622.db2.gz AOJOOCPRELEJTC-UHFFFAOYSA-N 1 0 471.950 7.338 50 0 JKAARO Cc1ccc([S@@](=O)C2=CC[N@H+](CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000095918217 569729641 /nfs/dbraw/zinc/72/96/41/569729641.db2.gz MVARKEYZQHJVJJ-XIFFEERXSA-N 1 0 465.609 6.583 50 0 JKAARO O=[S@](c1ccc(F)cc1)C1=CC[N@H+](CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000095918154 569729662 /nfs/dbraw/zinc/72/96/62/569729662.db2.gz KAVCHEAVDZHBBJ-XIFFEERXSA-N 1 0 469.572 6.413 50 0 JKAARO CCC[C@@H](C)c1nc2c(cnn2-c2ccccc2)c(N2CCC[N@H+](Cc3cccc(OC)c3)CC2)n1 ZINC000035926132 569729669 /nfs/dbraw/zinc/72/96/69/569729669.db2.gz GPXOWNDZGNIJPO-JOCHJYFZSA-N 1 0 484.648 5.440 50 0 JKAARO Fc1ccc(C(CCC[N@H+]2CC=C(Oc3ccccc3Cl)CC2)c2ccc(F)cc2)cc1 ZINC000095918150 569729707 /nfs/dbraw/zinc/72/97/07/569729707.db2.gz WCVJKECOKMQFDX-UHFFFAOYSA-N 1 0 453.960 7.199 50 0 JKAARO Cc1ncc(C[NH2+][C@@H](CO)Cc2ccccc2)c2cc(-c3cc(=O)oc4cc5c(cc43)CCC5)oc21 ZINC000096116466 569735489 /nfs/dbraw/zinc/73/54/89/569735489.db2.gz ZNQGUIKJDFHIMZ-HSZRJFAPSA-N 1 0 480.564 5.092 50 0 biogenic JKAARO Clc1ccc2c(c1)C[C@@H](S[C@@H](C[NH2+]C1CCCCC1)c1ccccc1)c1ccccc1S2 ZINC000096568861 569741452 /nfs/dbraw/zinc/74/14/52/569741452.db2.gz PWORCPYBYQLGLF-IZLXSDGUSA-N 1 0 480.142 8.485 50 0 JKAARO CC[NH+](CC)CCOc1ccc2oc3cc(C)nc(-c4ccc(Br)cc4)c3c2c1 ZINC000096593917 569742281 /nfs/dbraw/zinc/74/22/81/569742281.db2.gz YXXAHCZQMSDZNC-UHFFFAOYSA-N 1 0 453.380 6.440 50 0 JKAARO CCOC(=O)C1=C(C[N@H+](C)C2CCCCC2)N(CC)C(=O)N[C@H]1c1cccc(Cl)c1Cl ZINC000035991386 569744513 /nfs/dbraw/zinc/74/45/13/569744513.db2.gz KOKKJIZHJFAVCD-NRFANRHFSA-N 1 0 468.425 5.161 50 0 JKAARO O=C1[C@@H]2[C@H](c3ccc(Cl)cc3Cl)[NH2+][C@@H](Cc3ccccc3)[C@H]2C(=O)N1c1ccccc1 ZINC000100210945 569755471 /nfs/dbraw/zinc/75/54/71/569755471.db2.gz JZNSHSOKIWJMSS-BJESRGMDSA-N 1 0 451.353 5.055 50 0 JKAARO Cc1ccsc1C[N@H+](Cc1ccc(C(O)(c2cccc(F)c2)c2cccc(F)c2)o1)C1CC1 ZINC000036202296 569757003 /nfs/dbraw/zinc/75/70/03/569757003.db2.gz LVMOQZQMORXDQU-UHFFFAOYSA-N 1 0 465.565 6.377 50 0 JKAARO CCN(CC)c1onc(-c2ccc(F)cc2)c1C[N@H+](CCC(C)C)C[C@H](O)COCc1ccco1 ZINC000036249754 569758011 /nfs/dbraw/zinc/75/80/11/569758011.db2.gz JHOUBHRGOFTJIF-QHCPKHFHSA-N 1 0 487.616 5.346 50 0 JKAARO CCN(CC)c1onc(-c2ccc(F)cc2)c1C[N@H+](CCC(C)C)C[C@H](O)COCc1ccccc1 ZINC000036249750 569758014 /nfs/dbraw/zinc/75/80/14/569758014.db2.gz UWCHKQSLWHVZTA-SANMLTNESA-N 1 0 497.655 5.753 50 0 JKAARO CCC[N@@H+](Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccc(OC)cc1)C[C@@H](O)COCC ZINC000036301689 569759120 /nfs/dbraw/zinc/75/91/20/569759120.db2.gz BQOCKFNTVKCBQF-JOCHJYFZSA-N 1 0 488.028 5.244 50 0 JKAARO Cc1nn(-c2cccc(Cl)c2)c(Oc2ccccc2)c1C[N@H+](CC(C)C)C[C@H](O)COC(C)C ZINC000036301718 569759131 /nfs/dbraw/zinc/75/91/31/569759131.db2.gz YNBSHMBZZJOKDM-DEOSSOPVSA-N 1 0 486.056 5.870 50 0 JKAARO CCC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccccc1)CC1CC1 ZINC000036301812 569759168 /nfs/dbraw/zinc/75/91/68/569759168.db2.gz ZOOLIKCETCQRDK-QHCPKHFHSA-N 1 0 454.014 5.999 50 0 JKAARO CCC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccc(OC)cc1)CC1CC1 ZINC000036301696 569759195 /nfs/dbraw/zinc/75/91/95/569759195.db2.gz JUFFMTMSRPDFBK-QHCPKHFHSA-N 1 0 484.040 6.008 50 0 JKAARO COC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccccc1)CC(C)C ZINC000036301759 569759236 /nfs/dbraw/zinc/75/92/36/569759236.db2.gz ONRKOPPFINKODL-QFIPXVFZSA-N 1 0 458.002 5.092 50 0 JKAARO Cc1nn(-c2cccc(Cl)c2)c(Oc2ccccc2)c1C[N@H+](CC(C)C)C[C@@H](O)COC(C)C ZINC000036301721 569759276 /nfs/dbraw/zinc/75/92/76/569759276.db2.gz YNBSHMBZZJOKDM-XMMPIXPASA-N 1 0 486.056 5.870 50 0 JKAARO CCC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccccc1)CC1CC1 ZINC000036301815 569759303 /nfs/dbraw/zinc/75/93/03/569759303.db2.gz ZOOLIKCETCQRDK-HSZRJFAPSA-N 1 0 454.014 5.999 50 0 JKAARO Cc1nn(-c2cccc(Cl)c2)c(Oc2ccccc2)c1C[N@H+](C[C@H](O)COC(C)(C)C)CC1CC1 ZINC000036301835 569759317 /nfs/dbraw/zinc/75/93/17/569759317.db2.gz PVUZCHJZYHULDU-DEOSSOPVSA-N 1 0 498.067 6.014 50 0 JKAARO O[C@@H](COCc1ccccc1)C[N@@H+](Cc1c(-c2ccccc2)noc1N1CCCCC1)CC1CC1 ZINC000036313038 569760659 /nfs/dbraw/zinc/76/06/59/569760659.db2.gz VVZSJFRVSLCXGE-AREMUKBSSA-N 1 0 475.633 5.122 50 0 JKAARO CCCCOC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)CC1CC1 ZINC000036313764 569760950 /nfs/dbraw/zinc/76/09/50/569760950.db2.gz XEBTWVOPJDZNOA-AREMUKBSSA-N 1 0 477.649 5.671 50 0 JKAARO CCCCOC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)CC1CC1 ZINC000036313766 569761011 /nfs/dbraw/zinc/76/10/11/569761011.db2.gz XEBTWVOPJDZNOA-SANMLTNESA-N 1 0 477.649 5.671 50 0 JKAARO CCCCOC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)CC(C)C ZINC000036313798 569761140 /nfs/dbraw/zinc/76/11/40/569761140.db2.gz UKTLQGMFGIMSNI-DEOSSOPVSA-N 1 0 495.664 5.524 50 0 JKAARO CCCC[C@@H](O)C[N@H+](CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC ZINC000036313792 569761143 /nfs/dbraw/zinc/76/11/43/569761143.db2.gz IHLKAKMFSJLGDE-JOCHJYFZSA-N 1 0 451.611 5.651 50 0 JKAARO CCCCOC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)CC(C)C ZINC000036313828 569761155 /nfs/dbraw/zinc/76/11/55/569761155.db2.gz ZETAPCADKPSRQB-DEOSSOPVSA-N 1 0 483.628 5.654 50 0 JKAARO CCCC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)CC1CC1 ZINC000036313825 569761158 /nfs/dbraw/zinc/76/11/58/569761158.db2.gz MWNNOYITAPLERS-QHCPKHFHSA-N 1 0 451.586 5.782 50 0 JKAARO CCCCOC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)CC1CC1 ZINC000036313909 569761317 /nfs/dbraw/zinc/76/13/17/569761317.db2.gz GEKJKHWXWRPTMF-RUZDIDTESA-N 1 0 493.648 5.371 50 0 JKAARO CCCC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)CC1CC1 ZINC000036313921 569761380 /nfs/dbraw/zinc/76/13/80/569761380.db2.gz IAXKKYQXQKGVNM-DEOSSOPVSA-N 1 0 463.622 5.745 50 0 JKAARO CCCCOC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)CC1CC1 ZINC000036313966 569761601 /nfs/dbraw/zinc/76/16/01/569761601.db2.gz KCUBESSYGYLPHH-VWLOTQADSA-N 1 0 477.649 5.577 50 0 JKAARO CCCCOC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@@H]1CCCO1 ZINC000036313992 569761633 /nfs/dbraw/zinc/76/16/33/569761633.db2.gz XVVNDFYJXMSHCX-AHWVRZQESA-N 1 0 493.648 5.038 50 0 JKAARO CCCCOC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)C1CC1 ZINC000036313955 569761654 /nfs/dbraw/zinc/76/16/54/569761654.db2.gz MCBHXDPUGQJOMY-HSZRJFAPSA-N 1 0 479.621 5.030 50 0 JKAARO CCCC[C@@H](O)C[N@H+](CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1 ZINC000036313972 569761660 /nfs/dbraw/zinc/76/16/60/569761660.db2.gz LHARKZGHRGUSJX-JOCHJYFZSA-N 1 0 455.574 5.018 50 0 JKAARO CCCCOC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)CC1CC1 ZINC000036313998 569761669 /nfs/dbraw/zinc/76/16/69/569761669.db2.gz SKQPFBLEJUGZDR-VWLOTQADSA-N 1 0 463.622 5.363 50 0 JKAARO CCCCOC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)CC1CC1 ZINC000036313969 569761675 /nfs/dbraw/zinc/76/16/75/569761675.db2.gz VYKSUYWLIRCWQP-HSZRJFAPSA-N 1 0 481.612 5.408 50 0 JKAARO CCCCOC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(Cl)cc1)C1CC1 ZINC000036313930 569761708 /nfs/dbraw/zinc/76/17/08/569761708.db2.gz FWVQTJFOHXLBLO-QHCPKHFHSA-N 1 0 484.040 5.675 50 0 JKAARO CC(C)OC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1F)CC1CC1 ZINC000036316161 569762084 /nfs/dbraw/zinc/76/20/84/569762084.db2.gz DXENYHHPZFSESV-QFIPXVFZSA-N 1 0 485.575 5.156 50 0 JKAARO Cn1nc(-c2ccccc2)c(C[N@H+](C[C@H](O)COC(C)(C)C)CC2CC2)c1Oc1ccc(F)cc1F ZINC000036316169 569762306 /nfs/dbraw/zinc/76/23/06/569762306.db2.gz HOYPGRSHDUXOMQ-QFIPXVFZSA-N 1 0 499.602 5.546 50 0 JKAARO CC(C)COC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)Cc1ccccc1 ZINC000036316201 569762342 /nfs/dbraw/zinc/76/23/42/569762342.db2.gz CTROTXHDJJHRDD-MHZLTWQESA-N 1 0 499.655 5.915 50 0 JKAARO Cn1nc(-c2ccccc2)c(C[N@H+](C[C@@H](O)COC(C)(C)C)CC2CC2)c1Oc1ccc(F)cc1F ZINC000036316168 569762357 /nfs/dbraw/zinc/76/23/57/569762357.db2.gz HOYPGRSHDUXOMQ-JOCHJYFZSA-N 1 0 499.602 5.546 50 0 JKAARO CC[C@@H](C)[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@H](O)COC(C)(C)C ZINC000036316220 569762399 /nfs/dbraw/zinc/76/23/99/569762399.db2.gz IUTHTCQHVWIAND-GGAORHGYSA-N 1 0 465.638 5.656 50 0 JKAARO CC(C)COC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)Cc1ccccc1 ZINC000036316200 569762414 /nfs/dbraw/zinc/76/24/14/569762414.db2.gz CTROTXHDJJHRDD-HHHXNRCGSA-N 1 0 499.655 5.915 50 0 JKAARO CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@H+](C[C@H](O)COC(C)(C)C)CC1CC1 ZINC000036316332 569762540 /nfs/dbraw/zinc/76/25/40/569762540.db2.gz CYUVIGGAGDCPHN-DEOSSOPVSA-N 1 0 477.649 5.615 50 0 JKAARO CCCCOC[C@@H](O)C[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1)C(C)C ZINC000036316281 569762556 /nfs/dbraw/zinc/76/25/56/569762556.db2.gz IPGZGWXTRSFWCX-DEOSSOPVSA-N 1 0 465.638 5.615 50 0 JKAARO CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@H+](C[C@H](O)COc1ccccc1)C(C)C ZINC000036316258 569762614 /nfs/dbraw/zinc/76/26/14/569762614.db2.gz CGTYQOKNFJADTL-VWLOTQADSA-N 1 0 485.628 5.877 50 0 JKAARO CCc1nn(-c2ccccc2)c(Oc2ccc(OC)cc2)c1C[N@@H+](CC(C)C)C[C@@H](O)CC ZINC000036316351 569762793 /nfs/dbraw/zinc/76/27/93/569762793.db2.gz CXOJHLALXCQWBD-QFIPXVFZSA-N 1 0 451.611 5.465 50 0 JKAARO CCc1nn(-c2ccccc2)c(Oc2ccc(OC)cc2)c1C[N@H+](C[C@H](O)COCC(C)C)C(C)C ZINC000036316380 569762856 /nfs/dbraw/zinc/76/28/56/569762856.db2.gz DTYVJACHHDRHDK-DEOSSOPVSA-N 1 0 495.664 5.480 50 0 JKAARO CCc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@H+](C[C@@H](O)COC(C)C)CC1CC1 ZINC000036316483 569762982 /nfs/dbraw/zinc/76/29/82/569762982.db2.gz IUHJQNGJXCTIRZ-HSZRJFAPSA-N 1 0 481.612 5.364 50 0 JKAARO CCc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@H+](CC(C)C)C[C@H](O)COC(C)C ZINC000036316452 569763083 /nfs/dbraw/zinc/76/30/83/569763083.db2.gz NMUOLNXRZOQJGZ-QHCPKHFHSA-N 1 0 483.628 5.610 50 0 JKAARO COc1ccccc1[C@@H]1CC(c2ccc(C)c(C)c2)=NN1C(=O)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000036341383 569764532 /nfs/dbraw/zinc/76/45/32/569764532.db2.gz ZQSBFGXKJOMGHV-PMERELPUSA-N 1 0 495.667 5.944 50 0 JKAARO O=C(C[NH+]1CCC(Cc2ccccc2)CC1)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccc2c(c1)OCO2 ZINC000036341784 569764811 /nfs/dbraw/zinc/76/48/11/569764811.db2.gz HPSMZUQBUXKCGF-HHHXNRCGSA-N 1 0 499.586 5.187 50 0 JKAARO CCCC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(Cl)cc1)CC(C)C ZINC000036341943 569764924 /nfs/dbraw/zinc/76/49/24/569764924.db2.gz LSUDYYLXORYLTJ-XMMPIXPASA-N 1 0 470.057 6.636 50 0 JKAARO CCOC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(Cl)cc1)CC(C)C ZINC000036341955 569765029 /nfs/dbraw/zinc/76/50/29/569765029.db2.gz XGQXMGZBDANYLB-QHCPKHFHSA-N 1 0 472.029 5.482 50 0 JKAARO COc1cccc(Oc2c(C[N@H+](CC(C)C)C[C@H](O)COC(C)C)c(C)nn2-c2ccccc2)c1 ZINC000036341960 569765093 /nfs/dbraw/zinc/76/50/93/569765093.db2.gz LIZDFQPBXAJDLF-DEOSSOPVSA-N 1 0 481.637 5.226 50 0 JKAARO CC[C@H](C)[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C[C@H](O)COC(C)(C)C ZINC000036341987 569765114 /nfs/dbraw/zinc/76/51/14/569765114.db2.gz BSGUTWPMMGAERR-URXFXBBRSA-N 1 0 495.664 5.758 50 0 JKAARO CCOC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)[C@H](C)CC ZINC000036342018 569765117 /nfs/dbraw/zinc/76/51/17/569765117.db2.gz DJXZBNVSSCHMDO-KNQAVFIVSA-N 1 0 455.574 5.110 50 0 JKAARO CCCC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)CC(C)C ZINC000036341956 569765152 /nfs/dbraw/zinc/76/51/52/569765152.db2.gz QAWZXAPMEZEBPD-DEOSSOPVSA-N 1 0 465.638 5.991 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[N@@H+](C[C@@H](O)COC(C)(C)C)C(C)C ZINC000036342061 569765330 /nfs/dbraw/zinc/76/53/30/569765330.db2.gz BGJFZLNKUAQODU-HSZRJFAPSA-N 1 0 469.601 5.499 50 0 JKAARO CCCCOC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)[C@@H](C)CC ZINC000036342069 569765344 /nfs/dbraw/zinc/76/53/44/569765344.db2.gz QXAQDCYNPIVUGC-OFVILXPXSA-N 1 0 483.628 5.890 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[N@H+](C[C@@H](O)COCC(C)C)CC1CC1 ZINC000036342117 569765511 /nfs/dbraw/zinc/76/55/11/569765511.db2.gz BXGBBLKYONMTOU-RUZDIDTESA-N 1 0 481.612 5.358 50 0 JKAARO 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Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@H+](CC(C)C)C[C@@H](O)COC(C)C ZINC000036346216 569769367 /nfs/dbraw/zinc/76/93/67/569769367.db2.gz ZULIJGHCWMPUKZ-XMMPIXPASA-N 1 0 469.601 5.356 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@@H+](C[C@H](O)COC(C)C)C(C)C ZINC000036346289 569769391 /nfs/dbraw/zinc/76/93/91/569769391.db2.gz HZJHNYCMBLAKDT-QHCPKHFHSA-N 1 0 455.574 5.108 50 0 JKAARO CCOC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)[C@H](C)CC ZINC000036346325 569769484 /nfs/dbraw/zinc/76/94/84/569769484.db2.gz WHASPQWBTNRBQN-XXBNENTESA-N 1 0 455.574 5.110 50 0 JKAARO CCCC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)CC1CC1 ZINC000036346416 569769618 /nfs/dbraw/zinc/76/96/18/569769618.db2.gz AKBWHOUEHHGDIT-XMMPIXPASA-N 1 0 451.586 5.875 50 0 JKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@@H](O)COC(C)C ZINC000036346373 569769642 /nfs/dbraw/zinc/76/96/42/569769642.db2.gz RPNMVDJBOOWKOF-HSZRJFAPSA-N 1 0 455.574 5.110 50 0 JKAARO 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Cc1ccccc1[C@@H]1C[N@H+](CC(C)C)C[C@H]1CN(C(=O)c1ccc(F)cc1)C1CCCCC1 ZINC000105041302 569851666 /nfs/dbraw/zinc/85/16/66/569851666.db2.gz ATZRTULJNSMZSL-RBJSKKJNSA-N 1 0 450.642 6.281 50 0 JKAARO COc1ccccc1[C@H]1C[N@H+](Cc2ccc(C)o2)C[C@@H]1CN(CC(C)C)C(=O)c1ccc(F)cc1 ZINC000105042126 569851699 /nfs/dbraw/zinc/85/16/99/569851699.db2.gz QIVDMJRNBXCIBP-KCWPFWIISA-N 1 0 478.608 5.750 50 0 JKAARO CCC[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3cccc4ccccc43)=NN12 ZINC000051329956 569851891 /nfs/dbraw/zinc/85/18/91/569851891.db2.gz KLVACEBMLCQWFJ-VWLOTQADSA-N 1 0 490.445 6.348 50 0 JKAARO COc1ccccc1[C@@H]1C[N@H+](Cc2cccs2)C[C@@H]1CN(Cc1ccccc1)C(=O)C(C)C ZINC000105042699 569851932 /nfs/dbraw/zinc/85/19/32/569851932.db2.gz NXCZNMHYMPSESG-ZEQKJWHPSA-N 1 0 462.659 5.657 50 0 JKAARO O=C(CN1CCN(c2ccccc2)CC1)Nc1ccc(SCc2ccc(Cl)cc2Cl)cc1 ZINC000052537754 569852327 /nfs/dbraw/zinc/85/23/27/569852327.db2.gz DTFIIHMVVKUTNL-UHFFFAOYSA-N 1 0 486.468 6.046 50 0 JKAARO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1[C@H](C)C(=O)N1CCCN(C(=O)C2CCCCC2)CC1 ZINC000105060748 569852591 /nfs/dbraw/zinc/85/25/91/569852591.db2.gz AYQFJXQPCMBHOI-AMGIVPHBSA-N 1 0 493.717 5.034 50 0 JKAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)/C(=C/c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000107467313 569856464 /nfs/dbraw/zinc/85/64/64/569856464.db2.gz UKENGNMTXGKIDG-KTABXRIESA-N 1 0 460.980 6.163 50 0 JKAARO CCOC[C@](C)(C[C@H]([NH3+])Cc1ccc(-c2cc(Cl)ccc2F)cc1)C(=O)OCc1ccccc1 ZINC000145927933 569867836 /nfs/dbraw/zinc/86/78/36/569867836.db2.gz OWJOLPLPQSNCIM-YWEHKCAJSA-N 1 0 484.011 6.192 50 0 JKAARO COc1ccc(NC(=O)[C@@H]2Cc3cc(C(F)(F)F)ccc3N3CC[N@@H+](C4CCCCC4)C[C@@H]23)cc1 ZINC000169677546 569868695 /nfs/dbraw/zinc/86/86/95/569868695.db2.gz ZBSIKRFCXQUJCR-NOZRDPDXSA-N 1 0 487.566 5.348 50 0 JKAARO O=C(NC1CCCCC1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@@H]12 ZINC000169677577 569868705 /nfs/dbraw/zinc/86/87/05/569868705.db2.gz BBGGUECQDVGRJY-NOZRDPDXSA-N 1 0 489.557 5.157 50 0 JKAARO Cc1ccc(C2=NO[C@H](CN(Cc3cccc(Cl)c3)C[C@@H](O)COc3ccccc3C)C2)cc1 ZINC000169677679 569868752 /nfs/dbraw/zinc/86/87/52/569868752.db2.gz OZUOUTXUZQMKAN-FTJBHMTQSA-N 1 0 479.020 5.392 50 0 JKAARO CC[C@@H](C)[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)C[C@@H](O)COC(C)C ZINC000169678889 569869263 /nfs/dbraw/zinc/86/92/63/569869263.db2.gz STHXDYSJWCCWGU-ZJSXRUAMSA-N 1 0 451.611 5.359 50 0 JKAARO CC[C@@H](C)[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C[C@@H](O)COCC(C)C ZINC000169680007 569870050 /nfs/dbraw/zinc/87/00/50/569870050.db2.gz UFVXQFREMLIJOW-PXDATVDWSA-N 1 0 483.628 5.746 50 0 JKAARO CC[C@@H](C)[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)C[C@@H](O)COCC(C)C ZINC000169680017 569870109 /nfs/dbraw/zinc/87/01/09/569870109.db2.gz WTKFVCJZKFJSMO-ILBGXUMGSA-N 1 0 479.665 5.822 50 0 JKAARO CC[C@@H](C)[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)C[C@@H](O)COCC(C)C ZINC000169680069 569870124 /nfs/dbraw/zinc/87/01/24/569870124.db2.gz BXADOLCVXISLDC-ISKFKSNPSA-N 1 0 495.664 5.522 50 0 JKAARO CC[C@@H](C)[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@@H](O)COC(C)C ZINC000169680340 569870273 /nfs/dbraw/zinc/87/02/73/569870273.db2.gz APWGJNYOCUHSHT-RCZVLFRGSA-N 1 0 465.638 5.668 50 0 JKAARO CC[C@@H](C)[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)C[C@@H](O)COC(C)(C)C ZINC000169680284 569870288 /nfs/dbraw/zinc/87/02/88/569870288.db2.gz DOHUMSFYLWEUNS-FYYLOGMGSA-N 1 0 495.664 5.665 50 0 JKAARO CC[C@@H](C)[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)C[C@@H](O)COC(C)C ZINC000169680279 569870304 /nfs/dbraw/zinc/87/03/04/569870304.db2.gz GHOZMXCRSLJGNI-FYYLOGMGSA-N 1 0 481.637 5.274 50 0 JKAARO CC[C@H](C)[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)C[C@@H](O)COC(C)C ZINC000169680280 569870340 /nfs/dbraw/zinc/87/03/40/569870340.db2.gz GHOZMXCRSLJGNI-JTHBVZDNSA-N 1 0 481.637 5.274 50 0 JKAARO CCOC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)[C@@H](C)CC ZINC000169680294 569870357 /nfs/dbraw/zinc/87/03/57/569870357.db2.gz WHASPQWBTNRBQN-WMZHIEFXSA-N 1 0 455.574 5.110 50 0 JKAARO CC[C@H](C)[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C[C@@H](O)COC(C)(C)C ZINC000169680611 569870618 /nfs/dbraw/zinc/87/06/18/569870618.db2.gz BSGUTWPMMGAERR-XUZZJYLKSA-N 1 0 495.664 5.758 50 0 JKAARO CC[C@@H](C)[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C[C@@H](O)COC(C)C ZINC000169680603 569870671 /nfs/dbraw/zinc/87/06/71/569870671.db2.gz HAZHDLFDAJMUBC-HYBUGGRVSA-N 1 0 469.601 5.499 50 0 JKAARO CC[C@@H](C)[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C[C@@H](O)Cc1ccccc1 ZINC000169680961 569870732 /nfs/dbraw/zinc/87/07/32/569870732.db2.gz TXMMEXQAGLJBND-KCWPFWIISA-N 1 0 499.655 6.186 50 0 JKAARO Cc1cccc(C[NH+]2CCC(NC(=O)COc3ccc(C4SCCCS4)cc3)CC2)c1 ZINC000170623122 569873255 /nfs/dbraw/zinc/87/32/55/569873255.db2.gz FHQVATRJUYHORY-UHFFFAOYSA-N 1 0 456.677 5.023 50 0 JKAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]1c2ccccc2C(=O)N(CC(C)C)[C@H]1c1cccs1 ZINC000230076676 570044450 /nfs/dbraw/zinc/04/44/50/570044450.db2.gz GWEMFKTUERXUNW-NYMACZPPSA-N 1 0 481.706 5.456 50 0 JKAARO CCCC[N@H+](CC)CCCNC(=O)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1 ZINC000230077341 570044562 /nfs/dbraw/zinc/04/45/62/570044562.db2.gz GGFMFBIMQUCBSQ-UIOOFZCWSA-N 1 0 481.706 5.600 50 0 JKAARO CCCC[N@H+](CC)CCCNC(=O)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1 ZINC000230077347 570044574 /nfs/dbraw/zinc/04/45/74/570044574.db2.gz GGFMFBIMQUCBSQ-FTJBHMTQSA-N 1 0 481.706 5.600 50 0 JKAARO CC1=NN(c2ccc(C)cc2)C(=O)[C@]12Cc1ccc(Cl)cc1N1CC[N@H+](Cc3ccccc3)C[C@H]12 ZINC000230156983 570046098 /nfs/dbraw/zinc/04/60/98/570046098.db2.gz MIEOGAKZEZQIJG-LMSSTIIKSA-N 1 0 485.031 5.304 50 0 biogenic JKAARO Cc1ccsc1C[N@@H+]1C[C@@H](CN(C(=O)c2ccccc2)C2CCCCC2)[C@H](c2ccccc2C)C1 ZINC000230155488 570046102 /nfs/dbraw/zinc/04/61/02/570046102.db2.gz SJIURQUFXQNXTF-LITSAYRRSA-N 1 0 486.725 7.056 50 0 JKAARO O=C1C2[C@H](c3ccccc3)N(CN3[C@@H](c4ccccc4)[C@@H]1[C@H]3c1ccccc1)[C@H]2c1ccccc1 ZINC000239306255 570050500 /nfs/dbraw/zinc/05/05/00/570050500.db2.gz GQEOESVBSCGECK-FGDOCSQISA-N 1 0 456.589 6.355 50 0 JKAARO Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)N3c4ccc(C)cc4[C@H]4C[N@H+](C)CC[C@H]43)cc12 ZINC000239425950 570051925 /nfs/dbraw/zinc/05/19/25/570051925.db2.gz VMZVMGWPJXZHKE-FYYLOGMGSA-N 1 0 477.033 5.805 50 0 JKAARO COc1ccc([C@@H]2CCCN2CC(=O)N2CCc3sccc3[C@H]2c2cccs2)c(OC)c1 ZINC000241634600 570053306 /nfs/dbraw/zinc/05/33/06/570053306.db2.gz PNRVGKMHCGSUKM-CPJSRVTESA-N 1 0 468.644 5.138 50 0 JKAARO Cc1cccc(C)c1C(=O)N1CCC([N@H+]2CCN(c3ncc(C(F)(F)F)cc3Cl)[C@@H](C)C2)CC1 ZINC000244986105 570054461 /nfs/dbraw/zinc/05/44/61/570054461.db2.gz JGFLECXFWFTLKV-SFHVURJKSA-N 1 0 494.989 5.186 50 0 JKAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1c2ccccc2C(=O)N(CC(C)C)[C@H]1c1cccs1 ZINC000245228519 570055598 /nfs/dbraw/zinc/05/55/98/570055598.db2.gz GWEMFKTUERXUNW-QGDZQMKYSA-N 1 0 481.706 5.456 50 0 JKAARO COc1ccc(-c2cc3ccccc3n2C[C@H](O)C[N@H+](Cc2ccccc2)[C@H]2CCCC[C@H]2O)cc1 ZINC000245228701 570055858 /nfs/dbraw/zinc/05/58/58/570055858.db2.gz CPUSEDMZFOPLDE-YHHKDRGWSA-N 1 0 484.640 5.484 50 0 JKAARO C[C@@H]1CCC[C@H](C)[N@H+]1CCCN1C(=O)c2cc3occc3n2C[C@]1(C)C(=O)NC1CCCCCCC1 ZINC000245234408 570056871 /nfs/dbraw/zinc/05/68/71/570056871.db2.gz AUUUCHCGFJPFFD-UETOGOEVSA-N 1 0 496.696 5.331 50 0 JKAARO Cc1oc(-c2cccc(Cl)c2)nc1C[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CCCc3ccccc32)C1 ZINC000245257733 570060825 /nfs/dbraw/zinc/06/08/25/570060825.db2.gz DURNCYDAOVCTLP-QPPBQGQZSA-N 1 0 464.009 5.709 50 0 JKAARO Cc1ccc([C@@H]2C[N@@H+](Cc3ccccc3F)C[C@H]2CN(Cc2cccnc2)C(=O)C(C)C)cc1 ZINC000245280032 570061722 /nfs/dbraw/zinc/06/17/22/570061722.db2.gz MLZUYSPIWJYFLW-SVBPBHIXSA-N 1 0 459.609 5.430 50 0 JKAARO COc1ccc([C@H]2C[N@H+](Cc3cccc(C)c3)C[C@H]2CN(Cc2ccc(F)cc2)C(C)=O)cc1 ZINC000245280761 570061979 /nfs/dbraw/zinc/06/19/79/570061979.db2.gz SGQBSSUHBVSQKM-LITSAYRRSA-N 1 0 460.593 5.407 50 0 JKAARO Cn1nc(-c2ccccc2)c(C[N@H+](C[C@H](O)COC(C)(C)C)C[C@H]2CCCO2)c1Oc1ccccc1 ZINC000245281239 570062163 /nfs/dbraw/zinc/06/21/63/570062163.db2.gz WMNYBFHKXSIINF-UKILVPOCSA-N 1 0 493.648 5.036 50 0 JKAARO CCCCOc1ccc([C@](C)(O)[C@H](CN2CC[NH+]([C@H]3CCCC[C@@H]3OC)CC2)c2ccccc2)cc1 ZINC000245295435 570062622 /nfs/dbraw/zinc/06/26/22/570062622.db2.gz FDLGLXYCHXTXKQ-BHSUFKTOSA-N 1 0 494.720 5.432 50 0 JKAARO COc1cccc([C@@H]2C[N@H+](Cc3ccco3)C[C@H]2CN(CC(C)C)C(=O)c2ccc(F)cc2)c1 ZINC000245339062 570066904 /nfs/dbraw/zinc/06/69/04/570066904.db2.gz QFSXUIVQGITYFC-HOFKKMOUSA-N 1 0 464.581 5.441 50 0 JKAARO C[C@H](c1ccccc1)N(Cc1nc(C(=O)NC[C@H]2CCCO2)co1)Cc1cccc(C(F)(F)F)c1 ZINC000245330629 570066917 /nfs/dbraw/zinc/06/69/17/570066917.db2.gz ZQELLRRCSZWSJP-XMSQKQJNSA-N 1 0 487.522 5.366 50 0 JKAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000247721719 570068950 /nfs/dbraw/zinc/06/89/50/570068950.db2.gz BKJKUXDFLNNHRO-SHQCIBLASA-N 1 0 483.015 5.949 50 0 JKAARO COc1cccc(C[N@@H+]2C[C@H](C(=O)NCc3cccc(C(F)(F)F)c3)CC[C@H]2c2ccccc2)c1 ZINC000247901080 570071054 /nfs/dbraw/zinc/07/10/54/570071054.db2.gz QRDBQBIDDYPYCH-BVAGGSTKSA-N 1 0 482.546 5.984 50 0 JKAARO CC(C)N(C[C@@H]1C[N@H+](Cc2ccc[nH]2)C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000247983572 570072103 /nfs/dbraw/zinc/07/21/03/570072103.db2.gz HZJOIVXYOQBGFO-OFVILXPXSA-N 1 0 487.541 5.939 50 0 JKAARO CCCCCCC(=O)N1CCCN(C(=O)[C@@H](C)[N@@H+]2CCc3sccc3[C@H]2c2ccccc2C)CC1 ZINC000248068187 570073360 /nfs/dbraw/zinc/07/33/60/570073360.db2.gz GJSCURGNMIPHTM-QDPGVEIFSA-N 1 0 495.733 5.424 50 0 JKAARO Cc1ccc(C(=O)N(C[C@H]2C[N@H+](Cc3ccco3)C[C@H]2c2cccc(C(F)(F)F)c2)C(C)C)cc1 ZINC000248087446 570073712 /nfs/dbraw/zinc/07/37/12/570073712.db2.gz FNFNNGURZGQJNT-BVAGGSTKSA-N 1 0 484.562 6.373 50 0 JKAARO CCCCCCC(=O)N1CCN(C(=O)CC[N@@H+]2CCc3sccc3[C@H]2c2ccccc2C)C[C@H]1C ZINC000248113897 570074335 /nfs/dbraw/zinc/07/43/35/570074335.db2.gz UIQNIYLUCHZNAC-RNWIMVQKSA-N 1 0 495.733 5.424 50 0 JKAARO CC(C)CN(C[C@@H]1C[N@H+](Cc2ccc(F)c(F)c2)C[C@H]1c1ccc(F)cc1)C(=O)c1ccccc1 ZINC000248213642 570076213 /nfs/dbraw/zinc/07/62/13/570076213.db2.gz FJAFEBNWSSCYAB-AHWVRZQESA-N 1 0 480.574 6.118 50 0 JKAARO COc1ccc([C@@H]2C=C(c3ccccc3)S[C@]3(SC[C@H]4C[NH+]=C(N)S4)CCCC[C@@H]23)cc1 ZINC000248249998 570076750 /nfs/dbraw/zinc/07/67/50/570076750.db2.gz OWNRYRHRVALGOO-QTZVNIFKSA-N 1 0 482.740 6.617 50 0 JKAARO Fc1ccc(-c2nn(CN(Cc3ccccc3)C[C@H]3CCCO3)c(=S)n2C[C@H]2CCCO2)cc1 ZINC000252452471 570080884 /nfs/dbraw/zinc/08/08/84/570080884.db2.gz KLTQLKILHXWHTK-DNQXCXABSA-N 1 0 482.625 5.038 50 0 JKAARO C[C@@H]1CCC[N@H+](CCCNC(=O)[C@@H]2c3ccccc3C(=O)N(C3CCCC3)[C@H]2c2cccs2)C1 ZINC000252450977 570080940 /nfs/dbraw/zinc/08/09/40/570080940.db2.gz DEQKDFCJTIUWLK-VANUSSGQSA-N 1 0 479.690 5.210 50 0 JKAARO COc1ccc(C2=C(Oc3ccc(OCC[NH+]4CCCC4)cc3)c3ccc(OC)cc3[S@@]2=O)cc1 ZINC000252605311 570085522 /nfs/dbraw/zinc/08/55/22/570085522.db2.gz GHWFWWGMJKMPQB-DHUJRADRSA-N 1 0 491.609 5.204 50 0 JKAARO O=C(Nc1cccnc1SC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(-c2ccccc2)cc1 ZINC000253414752 570098595 /nfs/dbraw/zinc/09/85/95/570098595.db2.gz YMBAISMJGDAEQT-AZGAKELHSA-N 1 0 457.643 6.358 50 0 biogenic JKAARO C[C@@H]1CCC[C@]2(C)C[C@@H]3OC(=O)[C@@H](C[NH+]4CCN(c5cccc(C(F)(F)F)c5)CC4)[C@H]3C=C12 ZINC000253488013 570099974 /nfs/dbraw/zinc/09/99/74/570099974.db2.gz VLZRPLWEPPNQPC-ILXJSQPFSA-N 1 0 462.556 5.142 50 0 JKAARO C[C@@H]1CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](C[NH+]4CCN(c5cccc(C(F)(F)F)c5)CC4)[C@@H]3C=C12 ZINC000253488012 570099984 /nfs/dbraw/zinc/09/99/84/570099984.db2.gz VLZRPLWEPPNQPC-CFUVXLCISA-N 1 0 462.556 5.142 50 0 JKAARO C[C@@H]1CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](C[NH+]4CCN(c5cccc(C(F)(F)F)c5)CC4)[C@H]3C=C12 ZINC000253488014 570099997 /nfs/dbraw/zinc/09/99/97/570099997.db2.gz VLZRPLWEPPNQPC-VAVAZTCLSA-N 1 0 462.556 5.142 50 0 JKAARO CCC(=O)N(CC[C@]1(Cc2ccccc2)C[C@H](C)[N@H+](C)C[C@H]1C)Cc1ccc(OC)c(OC)c1 ZINC000253612153 570104693 /nfs/dbraw/zinc/10/46/93/570104693.db2.gz CVVMLEFCKQGMAH-RLPNJSHFSA-N 1 0 466.666 5.422 50 0 JKAARO FC(F)(F)c1ccc(N2CC[NH+](Cc3ccc(-c4ccc(C(F)(F)F)cn4)cc3)CC2)cc1 ZINC000263639868 570173825 /nfs/dbraw/zinc/17/38/25/570173825.db2.gz MOXSCWGWXKUYPI-UHFFFAOYSA-N 1 0 465.441 6.108 50 0 JKAARO COc1cc2oc(=O)cc(-c3ccccc3)c2cc1CCC(=O)N(C)C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000299754423 570174072 /nfs/dbraw/zinc/17/40/72/570174072.db2.gz MXNKWVJDTAMPEL-OZXSUGGESA-N 1 0 488.628 5.124 50 0 biogenic JKAARO Cc1nc2cc(NC(=O)[C@@H]3C[C@@H](Sc4ccc(F)cc4)CN3C3CC[NH+](C)CC3)ccc2s1 ZINC000299769099 570175450 /nfs/dbraw/zinc/17/54/50/570175450.db2.gz IZVSKNXKLVUZHR-GGAORHGYSA-N 1 0 484.666 5.012 50 0 JKAARO Cc1nn(C)cc1C[NH+]1CCC(c2nnc(SCc3ccc(F)cc3)n2Cc2ccccc2)CC1 ZINC000299777309 570176098 /nfs/dbraw/zinc/17/60/98/570176098.db2.gz KJHIBNDUYHLCAR-UHFFFAOYSA-N 1 0 490.652 5.179 50 0 JKAARO C[C@@H](NC(=O)c1ccc(N2CCC([NH2+]C3CCN(Cc4ccccc4)CC3)CC2)cc1)c1ccccc1 ZINC000299778910 570176391 /nfs/dbraw/zinc/17/63/91/570176391.db2.gz SRBQWFMGZYJWBG-RUZDIDTESA-N 1 0 496.699 5.401 50 0 JKAARO Cc1nc(C(=O)N2CCC[C@@H](COc3ccc(C[N@H+](C)CCc4ccccc4)cc3)C2)cs1 ZINC000299788384 570176893 /nfs/dbraw/zinc/17/68/93/570176893.db2.gz RECDDFZLNCGDOK-XMMPIXPASA-N 1 0 463.647 5.057 50 0 JKAARO O=C(OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1 ZINC000001072944 194016920 /nfs/dbraw/zinc/01/69/20/194016920.db2.gz HXNGFYZLCLPCNU-JYFHCDHNSA-N 1 0 466.585 5.485 50 0 biogenic,in-vitro JKAARO Cc1ccc(S(=O)(=O)N(C[C@@H](O)C[NH+](CC(C)C)CC(C)C)c2cccc3ccccc32)cc1 ZINC000001768811 194135624 /nfs/dbraw/zinc/13/56/24/194135624.db2.gz LVXUKLFKPJUZJB-VWLOTQADSA-N 1 0 482.690 5.318 50 0 JKAARO c1[nH]c2ccccc2c1CC[n+]1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1 ZINC000001799340 194142383 /nfs/dbraw/zinc/14/23/83/194142383.db2.gz YRAVRUAVNIDFHS-UHFFFAOYSA-N 1 0 451.593 7.699 50 0 biogenic JKAARO O[C@@]1(c2ccc(-c3ccccc3)cc2)CN2CCCCCC2=[N+]1c1ccc(Br)cc1 ZINC000001909510 194154989 /nfs/dbraw/zinc/15/49/89/194154989.db2.gz JOCHDGGCUMGWTG-AREMUKBSSA-N 1 0 462.411 5.766 50 0 JKAARO Cc1cc(C)c(NC(=O)C2CC[NH+](Cc3cnn(-c4ccccc4)c3-n3cccc3)CC2)c(C)c1 ZINC000002960456 194181365 /nfs/dbraw/zinc/18/13/65/194181365.db2.gz HQNVJBLBIMZXSF-UHFFFAOYSA-N 1 0 467.617 5.439 50 0 JKAARO CCc1cccc(C)c1NC(=O)C1CC[NH+](Cc2cnn(-c3ccccc3)c2-n2cccc2)CC1 ZINC000002960463 194181564 /nfs/dbraw/zinc/18/15/64/194181564.db2.gz DMQHKZMNTRCVGH-UHFFFAOYSA-N 1 0 467.617 5.385 50 0 JKAARO CCc1ccc(NC(=O)CSc2nc3c4ccccc4sc3c(=O)n2CC[NH+](CC)CC)cc1 ZINC000002961772 194181999 /nfs/dbraw/zinc/18/19/99/194181999.db2.gz GVGVHJORFWLWOD-UHFFFAOYSA-N 1 0 494.686 5.246 50 0 JKAARO CCOc1ccc(-c2cc(C(=O)NCCC[N@H+](C)Cc3ccccc3)c3ccccc3n2)cc1 ZINC000003008001 194202603 /nfs/dbraw/zinc/20/26/03/194202603.db2.gz XOJNLSMGVHTGTJ-UHFFFAOYSA-N 1 0 453.586 5.552 50 0 JKAARO CC[NH+](CC)CCn1c2nc(SCc3ccccc3C)n(-c3ccccc3)c(=O)c2sc1=S ZINC000003034067 194213871 /nfs/dbraw/zinc/21/38/71/194213871.db2.gz MPXWIYVPUNNTFB-UHFFFAOYSA-N 1 0 496.727 5.921 50 0 JKAARO O=C(CN1C(=O)/C(=C/c2cccc(Cl)c2)Sc2ccccc21)NCCC[NH+]1CCCCCC1 ZINC000003053296 194219983 /nfs/dbraw/zinc/21/99/83/194219983.db2.gz WVPHBASMMAONQS-MOHJPFBDSA-N 1 0 484.065 5.202 50 0 JKAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1S2 ZINC000003054447 194220211 /nfs/dbraw/zinc/22/02/11/194220211.db2.gz OZNNBFWRHMWTFO-NRFANRHFSA-N 1 0 489.616 5.351 50 0 JKAARO CCN1c2cc(C(=O)NCCC[NH+](CC(C)C)CC(C)C)ccc2Sc2ccccc2C1=O ZINC000003061140 194222185 /nfs/dbraw/zinc/22/21/85/194222185.db2.gz DKOZHAYUIXJEPE-UHFFFAOYSA-N 1 0 467.679 5.552 50 0 JKAARO CC[N@H+](CCCNC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1)S2)Cc1ccccc1 ZINC000003064154 194223179 /nfs/dbraw/zinc/22/31/79/194223179.db2.gz AKYHJPVVJUSJFE-ITYLOYPMSA-N 1 0 471.626 5.414 50 0 JKAARO CC[NH+](CC)CCCNC(=O)c1ccc2c(c1)N(Cc1ccccc1C)C(=O)c1ccccc1S2 ZINC000003047296 194217060 /nfs/dbraw/zinc/21/70/60/194217060.db2.gz DDPHOCJDTKRZCK-UHFFFAOYSA-N 1 0 487.669 5.768 50 0 JKAARO COc1ccc(-c2cc(C(=O)NCCC[NH+]3CCCCCC3)c3cc(C(C)C)ccc3n2)cc1 ZINC000003047612 194217119 /nfs/dbraw/zinc/21/71/19/194217119.db2.gz PIQDMGXEILHIME-UHFFFAOYSA-N 1 0 459.634 6.030 50 0 JKAARO CC(=O)Nc1cc(C(=O)NCC[N@@H+]2CCc3ccccc3C2)ccc1Sc1ccc(Cl)cc1 ZINC000003049122 194218329 /nfs/dbraw/zinc/21/83/29/194218329.db2.gz WEVMDFIBAIOAOY-UHFFFAOYSA-N 1 0 480.033 5.238 50 0 JKAARO CCCC[N@H+](C)C[C@H](O)Cn1c2ccc(Br)cc2c2cc(Br)ccc21 ZINC000003138244 194230808 /nfs/dbraw/zinc/23/08/08/194230808.db2.gz FEUSIKWECNSVOC-INIZCTEOSA-N 1 0 468.233 5.412 50 0 JKAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000003182958 194235508 /nfs/dbraw/zinc/23/55/08/194235508.db2.gz DUGZYNAJVLVDKS-URXFXBBRSA-N 1 0 454.599 5.357 50 0 JKAARO COc1ccc(-c2nn(CN(C)C3CC[NH+](C)CC3)c(=S)n2-c2ccccc2C(C)C)cc1 ZINC000003246254 194250310 /nfs/dbraw/zinc/25/03/10/194250310.db2.gz DLVDJTRFWHJDER-UHFFFAOYSA-N 1 0 465.667 5.186 50 0 JKAARO Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)N3c4ccc(C)cc4[C@@H]4C[N@H+](C)CC[C@@H]43)cc12 ZINC000003275047 194259914 /nfs/dbraw/zinc/25/99/14/194259914.db2.gz VMZVMGWPJXZHKE-GMAHTHKFSA-N 1 0 477.033 5.805 50 0 JKAARO Cc1cc(Nc2nc3ccccc3nc2N2CC[NH+](Cc3ccccc3)CC2)n(-c2ccccc2)n1 ZINC000003289979 194266357 /nfs/dbraw/zinc/26/63/57/194266357.db2.gz OWWCRTQKVWVTMZ-UHFFFAOYSA-N 1 0 475.600 5.190 50 0 JKAARO C[NH+](C)CCCNc1nc(CSc2ccc(Br)cc2)nc2sc3c(c21)CCCC3 ZINC000003314902 194278271 /nfs/dbraw/zinc/27/82/71/194278271.db2.gz HWPXORIUACHJIO-UHFFFAOYSA-N 1 0 491.524 5.989 50 0 JKAARO CC(C)(C)c1cc[n+](C(C(=O)c2ccc(-c3ccccc3)cc2)C(=S)NCc2ccco2)cc1 ZINC000003326119 194283206 /nfs/dbraw/zinc/28/32/06/194283206.db2.gz UOJLKJUGUXPVMV-UHFFFAOYSA-O 1 0 469.630 6.533 50 0 JKAARO O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]([NH2+]CCC(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000003327995 194284055 /nfs/dbraw/zinc/28/40/55/194284055.db2.gz ZFQWZBGTCUXDEG-MUUNZHRXSA-N 1 0 489.446 7.485 50 0 JKAARO CN1c2cc(C(=O)N3CC[NH+](C4CCCCC4)CC3)ccc2S/C(=C/c2cccc(Cl)c2)C1=O ZINC000003588976 194339850 /nfs/dbraw/zinc/33/98/50/194339850.db2.gz SFVDGIQMRMBWDR-KOEQRZSOSA-N 1 0 496.076 5.540 50 0 JKAARO CN1c2cc(C(=O)N3CC[NH+](C4CCCCC4)CC3)ccc2S/C(=C/c2ccccc2F)C1=O ZINC000003588398 194339894 /nfs/dbraw/zinc/33/98/94/194339894.db2.gz HRSPTCYIFAMGOQ-XIEYBQDHSA-N 1 0 479.621 5.026 50 0 JKAARO COc1cc(Cl)c(C)cc1NC(=S)N(CCC[NH+]1CCC(C)CC1)Cc1cccs1 ZINC000003665672 194356617 /nfs/dbraw/zinc/35/66/17/194356617.db2.gz NVYOMBCEXWMNKC-UHFFFAOYSA-N 1 0 466.116 6.040 50 0 JKAARO Cc1ccc(C)c(CN2C(=O)CSc3ccc(C(=O)NCCC[NH+]4C[C@@H](C)C[C@H](C)C4)cc32)c1 ZINC000003638744 194346639 /nfs/dbraw/zinc/34/66/39/194346639.db2.gz SRGVXIRHHHMDMP-SFTDATJTSA-N 1 0 479.690 5.040 50 0 JKAARO COc1ccc(Nc2c3cc(NC(=O)/C=C/c4ccc(C)o4)ccc3[nH+]c3c2CCCC3)cc1OC ZINC000003646188 194348553 /nfs/dbraw/zinc/34/85/53/194348553.db2.gz MTWAQOPHVVUWFN-NTCAYCPXSA-N 1 0 483.568 6.428 50 0 JKAARO COc1ccc(Nc2c3cc(NC(=O)/C=C/c4cccnc4)ccc3[nH+]c3c2CCCC3)cc1OC ZINC000003646193 194348694 /nfs/dbraw/zinc/34/86/94/194348694.db2.gz POWAYLAUVGMHIH-NTEUORMPSA-N 1 0 480.568 5.921 50 0 JKAARO CCCOc1ccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCC[NH+](C)C)cc1OCC ZINC000003655676 194352618 /nfs/dbraw/zinc/35/26/18/194352618.db2.gz PKNPZXZGNZRXFK-AREMUKBSSA-N 1 0 492.616 5.094 50 0 JKAARO COc1cc(Cl)c(C)cc1NC(=S)N(CCC[N@@H+]1CCC[C@@H](C)C1)Cc1cccs1 ZINC000003665674 194356524 /nfs/dbraw/zinc/35/65/24/194356524.db2.gz SKYWJDGBNLQASA-QGZVFWFLSA-N 1 0 466.116 6.040 50 0 JKAARO O=C(c1ccc(OCC[NH+]2CCCCC2)cc1)[C@@H]1c2ccc(O)cc2S[C@H]1c1ccc(O)cc1 ZINC000003920908 194366658 /nfs/dbraw/zinc/36/66/58/194366658.db2.gz IKZMTNSYXDOFJH-XCZPVHLTSA-N 1 0 475.610 5.776 50 0 in-vitro JKAARO CC[NH+](CC)CCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@@H]1c1ccc(SC)cc1 ZINC000004483240 194390827 /nfs/dbraw/zinc/39/08/27/194390827.db2.gz NOWVQQPHUNGIEO-NRFANRHFSA-N 1 0 456.995 5.055 50 0 JKAARO COc1cc(C[NH2+][C@H](C)C23CC4CC(CC(C4)C2)C3)cc(Br)c1OCc1cccs1 ZINC000008443446 194449440 /nfs/dbraw/zinc/44/94/40/194449440.db2.gz AKAMZWXAZWATRK-ASXFNGKXSA-N 1 0 490.507 6.793 50 0 JKAARO CC[NH+](CC)CCNc1ncnc2c1sc1nc(-c3ccco3)c3c(c12)CC(C)(C)OC3 ZINC000009046496 194510156 /nfs/dbraw/zinc/51/01/56/194510156.db2.gz VLYYJYWNFSPRDB-UHFFFAOYSA-N 1 0 451.596 5.105 50 0 JKAARO O=C(CCc1cn(Cc2ccccc2F)c2ccccc12)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000009116115 194536231 /nfs/dbraw/zinc/53/62/31/194536231.db2.gz QLNWRAGAXLAROA-UHFFFAOYSA-N 1 0 469.604 5.542 50 0 JKAARO CCC[NH+](CCC)CCCNC(=O)[C@@H]1c2ccccc2C(=O)N(CC(C)C)[C@H]1c1cccs1 ZINC000009433065 194778744 /nfs/dbraw/zinc/77/87/44/194778744.db2.gz DFMQXUNYLAWZKP-RPBOFIJWSA-N 1 0 469.695 5.313 50 0 JKAARO CCOc1ccc(-c2cn3c4ccc(C(=O)NCCC[NH+]5C[C@@H](C)C[C@H](C)C5)cc4sc3n2)cc1 ZINC000009406636 194747187 /nfs/dbraw/zinc/74/71/87/194747187.db2.gz AJDVGMWBTYSPEP-PMACEKPBSA-N 1 0 490.673 5.713 50 0 JKAARO CCOc1ccc(Nc2cc(C(=O)NCCC[N@H+](C)C3CCCCC3)c3ccccc3n2)cc1 ZINC000009680762 194887817 /nfs/dbraw/zinc/88/78/17/194887817.db2.gz VJEUDZFPHOVCCB-UHFFFAOYSA-N 1 0 460.622 5.762 50 0 JKAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2cn(C3CCCCC3)c(=O)c3c2c2ccccc2n3C)C1 ZINC000009674068 194880592 /nfs/dbraw/zinc/88/05/92/194880592.db2.gz QVLYDJCCRVNDSE-NHCUHLMSSA-N 1 0 476.665 5.096 50 0 JKAARO O=C(CSc1c2cc(Cl)ccc2nc2c1CCCC2)N1CCC([NH+]2CCCCC2)CC1 ZINC000009722385 194918271 /nfs/dbraw/zinc/91/82/71/194918271.db2.gz BKJFHKXLOLBUIC-UHFFFAOYSA-N 1 0 458.071 5.336 50 0 JKAARO O=C([C@@H]1CCC[N@H+](Cc2cccc(Oc3ccccc3)c2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000009933450 195025265 /nfs/dbraw/zinc/02/52/65/195025265.db2.gz OWNQWGKPKCIMFL-MUUNZHRXSA-N 1 0 468.641 6.172 50 0 JKAARO O=C([C@H]1CCC[N@H+](Cc2cccc(Oc3ccccc3)c2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000009933451 195025368 /nfs/dbraw/zinc/02/53/68/195025368.db2.gz OWNQWGKPKCIMFL-NDEPHWFRSA-N 1 0 468.641 6.172 50 0 JKAARO CCCn1c(C[NH+]2CCCCCC2)nc2cc(NC(=O)COc3ccc(Cl)cc3)ccc21 ZINC000009942500 195029904 /nfs/dbraw/zinc/02/99/04/195029904.db2.gz HFVNWUIIHCGCSZ-UHFFFAOYSA-N 1 0 455.002 5.493 50 0 JKAARO CCCn1c(C[NH+]2CCCCCC2)nc2cc(NC(=O)c3ccc(OC)c(OC)c3)ccc21 ZINC000009942449 195029981 /nfs/dbraw/zinc/02/99/81/195029981.db2.gz YVGUQIBRXYVIJV-UHFFFAOYSA-N 1 0 450.583 5.092 50 0 JKAARO Cc1ccc(CN2CCSc3ccc(C(=O)NCCC[N@H+]4[C@H](C)CCC[C@@H]4C)cc32)cc1 ZINC000009962569 195039743 /nfs/dbraw/zinc/03/97/43/195039743.db2.gz NIXAFPMCJGRIMV-SZPZYZBQSA-N 1 0 451.680 5.490 50 0 JKAARO CCCC[NH+](CCCC)C[C@H](O)CN(c1cccc2ccccc21)S(=O)(=O)c1ccc(C)cc1 ZINC000009968835 195041726 /nfs/dbraw/zinc/04/17/26/195041726.db2.gz JGNUPFHQUQZLQB-VWLOTQADSA-N 1 0 482.690 5.607 50 0 JKAARO Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)NCC3([NH+]4CCCCC4)CCCCC3)c2n1 ZINC000012637463 195068396 /nfs/dbraw/zinc/06/83/96/195068396.db2.gz KHGXNOORPYOHMM-UHFFFAOYSA-N 1 0 464.437 5.534 50 0 JKAARO O=C(C1CC[NH+](Cc2cccc(Oc3ccccc3)c2)CC1)N1CCN(Cc2ccccc2)CC1 ZINC000012630984 195063257 /nfs/dbraw/zinc/06/32/57/195063257.db2.gz NJOIYPRLDZCTGR-UHFFFAOYSA-N 1 0 469.629 5.035 50 0 JKAARO Cc1c(NC(=O)[C@H](C)[NH2+][C@H](CCCc2ccccc2)c2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000012667819 195081925 /nfs/dbraw/zinc/08/19/25/195081925.db2.gz HFKSPCKNAULQJS-WXVAWEFUSA-N 1 0 482.628 5.165 50 0 JKAARO COc1cc(C[NH2+][C@H](c2ccc3c(c2)OCCO3)C(C)C)ccc1OCc1csc(C)n1 ZINC000012691061 195088477 /nfs/dbraw/zinc/08/84/77/195088477.db2.gz JWAHACDTHZEMPQ-VWLOTQADSA-N 1 0 454.592 5.297 50 0 JKAARO Cc1cc(C)c(NC(=O)[C@H](C)Sc2nc3ccccc3c(=O)n2CC[NH+](C(C)C)C(C)C)c(C)c1 ZINC000012779426 195123579 /nfs/dbraw/zinc/12/35/79/195123579.db2.gz JONKYKJPCIUKMM-QFIPXVFZSA-N 1 0 494.705 5.560 50 0 JKAARO COc1ccc(Br)cc1-c1nc(C[NH2+][C@@H](C)c2cccc3ccccc32)cs1 ZINC000012787908 195129452 /nfs/dbraw/zinc/12/94/52/195129452.db2.gz QWUGTKPMJBKFGW-HNNXBMFYSA-N 1 0 453.405 6.585 50 0 JKAARO CC(=O)N(c1nc(/C=C/C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)cs1)c1ccccc1 ZINC000012805985 195141553 /nfs/dbraw/zinc/14/15/53/195141553.db2.gz CXPFMKPQCXRZTP-XIQMRYHBSA-N 1 0 495.048 5.448 50 0 JKAARO CCOC(=O)C[C@@H](c1ccc(F)cc1)C1CC[NH+](Cc2nc(-c3ccccc3C)no2)CC1 ZINC000012854462 195156488 /nfs/dbraw/zinc/15/64/88/195156488.db2.gz KCWCBYNJBKFKGS-QHCPKHFHSA-N 1 0 451.542 5.133 50 0 JKAARO COc1ccc(-c2[nH]c3ccc(F)cc3c2CCC(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000012858678 195158481 /nfs/dbraw/zinc/15/84/81/195158481.db2.gz OHLRFVIODQUPQO-UHFFFAOYSA-N 1 0 485.603 5.827 50 0 JKAARO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1ccccc1Br ZINC000012861112 195159042 /nfs/dbraw/zinc/15/90/42/195159042.db2.gz SBCXDTKRPLPUSZ-UHFFFAOYSA-N 1 0 450.380 5.024 50 0 JKAARO O=C(c1cn(C[NH+]2CCCC2)c2ccccc12)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020648082 195195398 /nfs/dbraw/zinc/19/53/98/195195398.db2.gz YWBHCYFIWYUJKK-UHFFFAOYSA-N 1 0 478.640 5.242 50 0 JKAARO Cc1ccc(-c2cc(C(=O)NCCCN3CC[NH+](Cc4ccccc4)CC3)c3ccccc3n2)cc1C ZINC000020682736 195204481 /nfs/dbraw/zinc/20/44/81/195204481.db2.gz FBVQTTFIJFGCEB-UHFFFAOYSA-N 1 0 492.667 5.456 50 0 JKAARO C[C@H]1CCC[N@H+](CCCNC(=O)c2cc(Sc3ccc(F)cc3F)nc3ccccc32)C1 ZINC000020723533 195206842 /nfs/dbraw/zinc/20/68/42/195206842.db2.gz FMSDSOJJYHVESQ-KRWDZBQOSA-N 1 0 455.574 5.516 50 0 JKAARO C[N@H+](CCCNC(=O)c1ccc(/C=C2/Sc3ccccc3NC2=O)cc1)Cc1ccccc1 ZINC000020728523 195208905 /nfs/dbraw/zinc/20/89/05/195208905.db2.gz XACKZTWFVIZWIF-XIEYBQDHSA-N 1 0 457.599 5.024 50 0 JKAARO CC(C)[N@H+](CCCNC(=O)c1ccc(/C=C2/Sc3ccccc3NC2=O)cc1)Cc1ccccc1 ZINC000020728635 195209018 /nfs/dbraw/zinc/20/90/18/195209018.db2.gz KOGHRFXNGHWYOR-ZXVVBBHZSA-N 1 0 485.653 5.802 50 0 JKAARO CC(C)[N@H+](CCNC(=O)c1ccc(/C=C2/Sc3ccccc3NC2=O)cc1)Cc1ccccc1 ZINC000020728939 195209340 /nfs/dbraw/zinc/20/93/40/195209340.db2.gz PLRBIXBSNKMKDK-NLRVBDNBSA-N 1 0 471.626 5.412 50 0 JKAARO CC[NH+](CC)CCNC(=O)c1ccc(/C=C2/Oc3ccccc3N(Cc3ccc(C)cc3)C2=O)cc1 ZINC000020732173 195210812 /nfs/dbraw/zinc/21/08/12/195210812.db2.gz QYGUYJJSPVOYDL-VFCFBJKWSA-N 1 0 483.612 5.033 50 0 JKAARO CCCC[NH+](CCCC)CCNC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1ccc(OC)cc1)S2 ZINC000020734206 195211750 /nfs/dbraw/zinc/21/17/50/195211750.db2.gz SAISUOAOUVJFSQ-XIEYBQDHSA-N 1 0 481.662 5.413 50 0 JKAARO Cc1cc(C)c(NC(=S)N(CCC[N@@H+](C)C2CCCCC2)Cc2cccn2C2CCCC2)c(C)c1 ZINC000020734059 195211899 /nfs/dbraw/zinc/21/18/99/195211899.db2.gz TUVXKOWXXPHPOH-UHFFFAOYSA-N 1 0 494.793 7.382 50 0 JKAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1cccc(Cl)c1)S2 ZINC000020735052 195212052 /nfs/dbraw/zinc/21/20/52/195212052.db2.gz NYYFKKDKJJPXRI-CAUNFOBBSA-N 1 0 456.011 5.030 50 0 JKAARO CCCC[NH+](CCCC)CCNC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1ccccc1Cl)S2 ZINC000020735195 195212340 /nfs/dbraw/zinc/21/23/40/195212340.db2.gz BAMCOFRUOIMMFG-HKOYGPOVSA-N 1 0 486.081 6.057 50 0 JKAARO CCC[N@H+](CC)CCCNC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1ccccc1Cl)S2 ZINC000020735128 195212426 /nfs/dbraw/zinc/21/24/26/195212426.db2.gz MXAAYOABDRXJHB-CJLVFECKSA-N 1 0 458.027 5.277 50 0 JKAARO CCN1c2cc(C)ccc2SC1=CC1=CC(=Cc2c3ccccc3cc[n+]2CC)CC(C)(C)C1 ZINC000020807767 195228736 /nfs/dbraw/zinc/22/87/36/195228736.db2.gz CVDQNHKBSJSJTJ-UHFFFAOYSA-N 1 0 467.702 7.994 50 0 JKAARO CN1c2cc(C(=O)N3CCC([NH+]4CCCCC4)CC3)ccc2S/C(=C\c2ccccc2Cl)C1=O ZINC000020737000 195213400 /nfs/dbraw/zinc/21/34/00/195213400.db2.gz UGKGZIRYNLALQD-BWAHOGKJSA-N 1 0 496.076 5.540 50 0 JKAARO Cc1cccc(/C=C2/Sc3ccc(C(=O)NCCC[NH+]4[C@H](C)CCC[C@H]4C)cc3N(C)C2=O)c1 ZINC000020737436 195213618 /nfs/dbraw/zinc/21/36/18/195213618.db2.gz YEWYXWMDBOWRKU-OQSUOQJPSA-N 1 0 477.674 5.487 50 0 JKAARO CC(C)[N@H+](CCCNC(=O)C1CCN(c2nc3ccccc3n3cccc23)CC1)Cc1ccccc1 ZINC000020902661 195242056 /nfs/dbraw/zinc/24/20/56/195242056.db2.gz DDJUHHKTOQSYSJ-UHFFFAOYSA-N 1 0 483.660 5.121 50 0 JKAARO C[C@H]1CCCC[N@@H+]1CCCN1C(=O)c2cc3ccccc3n2C[C@@]1(C)C(=O)NC1CCCCCCC1 ZINC000020903409 195243396 /nfs/dbraw/zinc/24/33/96/195243396.db2.gz DFEIGPYKUBWJKA-JHOBJCJYSA-N 1 0 492.708 5.349 50 0 JKAARO CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NCC[N@H+](C)C2CCCCC2)[C@@H]1c1cccs1 ZINC000020904417 195244588 /nfs/dbraw/zinc/24/45/88/195244588.db2.gz SYNPLCDQLKANTH-RPBOFIJWSA-N 1 0 467.679 5.066 50 0 JKAARO CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCC[N@H+](C)C2CCCCC2)[C@H]1c1cccs1 ZINC000020904416 195244648 /nfs/dbraw/zinc/24/46/48/195244648.db2.gz SYNPLCDQLKANTH-LOSJGSFVSA-N 1 0 467.679 5.066 50 0 JKAARO CCOc1cc(C[NH2+]C2C3CC4CC(C3)CC2C4)cc(Br)c1OCc1ccc(C)cc1 ZINC000020874681 195235610 /nfs/dbraw/zinc/23/56/10/195235610.db2.gz MVZVXRWYPUMHHM-UHFFFAOYSA-N 1 0 484.478 6.650 50 0 JKAARO Cc1ccc(-n2ncc(C(=O)Nc3ccc(Br)cc3F)c2C2CC[NH2+]CC2)cc1C ZINC000020940882 195255299 /nfs/dbraw/zinc/25/52/99/195255299.db2.gz GJGDGKMJUUOEFH-UHFFFAOYSA-N 1 0 471.374 5.110 50 0 JKAARO CC[N@H+](CCC[NH2+]Cc1c(C)n(-c2ccc(Cl)cc2)c(C)c1C(=O)[O-])Cc1ccccc1 ZINC000021024941 195268736 /nfs/dbraw/zinc/26/87/36/195268736.db2.gz BAPAKLHVIQETSN-UHFFFAOYSA-N 1 0 454.014 5.448 50 0 JKAARO CCc1c(C)sc2c1CC[N@H+](Cc1nc(-c3ccccc3Cl)oc1C)[C@@H]2c1ccccc1 ZINC000021045859 195271598 /nfs/dbraw/zinc/27/15/98/195271598.db2.gz UGJPOEOPNQSOTG-RUZDIDTESA-N 1 0 463.046 7.383 50 0 JKAARO COc1ccc(-c2csc3ncnc(NCC4CC[NH+](Cc5ccc(C)cc5)CC4)c23)cc1 ZINC000021049168 195272294 /nfs/dbraw/zinc/27/22/94/195272294.db2.gz VHIWQDRSVGVTJF-UHFFFAOYSA-N 1 0 458.631 5.999 50 0 JKAARO Cc1ccc2nc3sc(C(=O)NCCC[NH+]4CCN(c5cc(Cl)ccc5C)CC4)cc3cc2c1 ZINC000021087453 195273843 /nfs/dbraw/zinc/27/38/43/195273843.db2.gz IZRHNCBKNMFVBL-UHFFFAOYSA-N 1 0 493.076 5.662 50 0 JKAARO Cc1ccc(COc2cc(C(=O)NCC3CC[NH+](Cc4ccc(C)cc4)CC3)c3ccccc3n2)cc1 ZINC000021094447 195275305 /nfs/dbraw/zinc/27/53/05/195275305.db2.gz QQJDKSJKRXFLCX-UHFFFAOYSA-N 1 0 493.651 6.073 50 0 JKAARO Cc1nn(-c2ccccc2)c2sc(C(=O)NCC3CC[NH+](CCc4ccc(F)cc4)CC3)cc12 ZINC000021103647 195276769 /nfs/dbraw/zinc/27/67/69/195276769.db2.gz NCVGDVHOEYPFDU-UHFFFAOYSA-N 1 0 476.621 5.219 50 0 JKAARO COC(=O)c1c(NCC2CC[NH+](CCc3ccc(F)cc3)CC2)onc1-c1ccc(Cl)cc1 ZINC000021103679 195276864 /nfs/dbraw/zinc/27/68/64/195276864.db2.gz LGSBLPZDPWXMGN-UHFFFAOYSA-N 1 0 471.960 5.287 50 0 JKAARO Brc1ccc([C@@H](c2nnc(-c3ccccc3)o2)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000021367068 195300143 /nfs/dbraw/zinc/30/01/43/195300143.db2.gz ZSQOWYUMZIIMRO-QHCPKHFHSA-N 1 0 481.438 5.539 50 0 JKAARO Brc1ccc([C@H](c2nnc(-c3ccccc3)o2)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000021367061 195300197 /nfs/dbraw/zinc/30/01/97/195300197.db2.gz ZSQOWYUMZIIMRO-HSZRJFAPSA-N 1 0 481.438 5.539 50 0 JKAARO Cc1oc(-c2cccc(Cl)c2)nc1C[NH+]1CCC(C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)CC1 ZINC000021367917 195300261 /nfs/dbraw/zinc/30/02/61/195300261.db2.gz ITSUGJFDVXVSGW-KRWDZBQOSA-N 1 0 496.007 5.164 50 0 JKAARO O[C@](c1ccc(Br)cc1)([C@@H](C[NH+]1CCOCC1)c1ccccc1)C1CCCCC1 ZINC000021523096 195303804 /nfs/dbraw/zinc/30/38/04/195303804.db2.gz MKCWNMODGUNHIW-LOSJGSFVSA-N 1 0 458.440 5.333 50 0 JKAARO CCc1cc2c(cc3n2C[C@](C)(C(=O)NC2CCCCCC2)N(CCC[NH+](CC)CC)C3=O)s1 ZINC000021526020 195304895 /nfs/dbraw/zinc/30/48/95/195304895.db2.gz HYQFNNMGULMPGO-HHHXNRCGSA-N 1 0 486.726 5.051 50 0 JKAARO Cc1ccc(C[NH+]2CCC(CNC(=O)c3cc(-c4ccccn4)nc4ccc(C)cc43)CC2)cc1 ZINC000021934422 195335810 /nfs/dbraw/zinc/33/58/10/195335810.db2.gz BAGRHZKFDCUQKB-UHFFFAOYSA-N 1 0 464.613 5.556 50 0 JKAARO O=C(NCC1CC[NH+](Cc2ccccc2F)CC1)c1cc(-c2ccccn2)nc2ccccc21 ZINC000021934265 195335987 /nfs/dbraw/zinc/33/59/87/195335987.db2.gz UDLHPQYBUOZSNE-UHFFFAOYSA-N 1 0 454.549 5.078 50 0 JKAARO COc1cc(Cl)c(C)cc1NC(=O)c1ccccc1NC(=O)C[NH2+][C@H](C)c1ccccc1 ZINC000058135398 195365471 /nfs/dbraw/zinc/36/54/71/195365471.db2.gz MMVXRLOGHRXDSV-QGZVFWFLSA-N 1 0 451.954 5.199 50 0 JKAARO CCCCOc1ccc([C@@](C)(O)[C@H](C[NH+]2CCN(c3ccccc3F)CC2)c2ccccc2)cc1 ZINC000058480182 195379993 /nfs/dbraw/zinc/37/99/93/195379993.db2.gz CGRKRCYATSPLET-POURPWNDSA-N 1 0 476.636 5.818 50 0 JKAARO CC(C)c1ccccc1-n1c(=S)n(CN2CC[NH+](C)CC2)nc1-c1ccc(Cl)cc1Cl ZINC000021540360 195313739 /nfs/dbraw/zinc/31/37/39/195313739.db2.gz NDVAHJCHWYBPMZ-UHFFFAOYSA-N 1 0 476.477 5.705 50 0 JKAARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH+]4CCN(c5cccc(C(F)(F)F)c5)CC4)[C@H]3C=C12 ZINC000061997592 195418635 /nfs/dbraw/zinc/41/86/35/195418635.db2.gz VLZRPLWEPPNQPC-XFLMGFCPSA-N 1 0 462.556 5.142 50 0 biogenic JKAARO COc1ccc(Cn2cc([C@H](CC(=O)NCC[NH+]3CCCC3)c3ccc(F)cc3)c3ccccc32)cc1 ZINC000096275630 130012539 /nfs/dbraw/zinc/01/25/39/130012539.db2.gz VYSCVGXSZSCVRB-MUUNZHRXSA-N 1 0 499.630 5.571 50 0 JKAARO Cc1cccc(C[N@H+](C[C@H](Oc2ccc(F)c(F)c2)C(=O)Nc2ccc(F)cc2)C[C@H]2CCCO2)c1 ZINC000096281488 130027709 /nfs/dbraw/zinc/02/77/09/130027709.db2.gz INLGJIOMGLNXQN-SQHAQQRYSA-N 1 0 498.545 5.480 50 0 JKAARO Cc1ccccc1[C@@H](CC[NH+]1CCN(c2ccccc2Cl)CC1)Oc1ccc(C(C)C)c(C)c1 ZINC000096281793 130028723 /nfs/dbraw/zinc/02/87/23/130028723.db2.gz ATSTWVZSEKQDTF-SSEXGKCCSA-N 1 0 477.092 7.413 50 0 JKAARO Cc1oc2c(cc3c(C)c(CCC(=O)NC[C@H]4CCC[N@@H+]5CCCC[C@H]45)c(=O)oc3c2C)c1C ZINC000096343537 130073483 /nfs/dbraw/zinc/07/34/83/130073483.db2.gz CRQJLYHMKYQRQL-HYBUGGRVSA-N 1 0 464.606 5.086 50 0 JKAARO CC(C)(C)OC[C@@H](O)C[N@@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000036146387 518878666 /nfs/dbraw/zinc/87/86/66/518878666.db2.gz QSKXJZAHXPBEIM-PMACEKPBSA-N 1 0 499.866 5.818 50 0 JKAARO CC(C)(C)OC[C@H](O)C[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000036146374 518880269 /nfs/dbraw/zinc/88/02/69/518880269.db2.gz SWNZNXGTFRGEGF-UXHICEINSA-N 1 0 483.411 5.304 50 0 JKAARO CC(=O)N(c1nc(CN2CC[NH+](Cc3cccc4ccccc43)CC2)cs1)c1ccccc1 ZINC000022800331 519477180 /nfs/dbraw/zinc/47/71/80/519477180.db2.gz WBSLOVQOASKUGV-UHFFFAOYSA-N 1 0 456.615 5.299 50 0 JKAARO CC(C)CC(=O)N(CC[NH+]1CCCCC1)Cc1csc(COc2ccccc2C(C)C)n1 ZINC000036116612 519575302 /nfs/dbraw/zinc/57/53/02/519575302.db2.gz ZUMKAEDRQQFRMA-UHFFFAOYSA-N 1 0 457.684 5.706 50 0 JKAARO CC(C)[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C[C@@H](O)COC(C)(C)C ZINC000036307063 519653138 /nfs/dbraw/zinc/65/31/38/519653138.db2.gz IWMYIYITQCYYAI-JOCHJYFZSA-N 1 0 469.601 5.405 50 0 JKAARO CC(C)[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@H](O)c1ccccc1 ZINC000036307532 519653468 /nfs/dbraw/zinc/65/34/68/519653468.db2.gz OAQMJKYVAKRJOT-SANMLTNESA-N 1 0 459.565 5.963 50 0 JKAARO CC(C)[NH+]1CCC(N2CCOc3ccc([C@H](O)C(c4ccccc4)c4ccccc4)cc3C2)CC1 ZINC000014997462 519670325 /nfs/dbraw/zinc/67/03/25/519670325.db2.gz JDWGVWGJOVKQBO-HKBQPEDESA-N 1 0 470.657 5.619 50 0 JKAARO CC(=O)Nc1ccc(-c2cc(C(=O)NCC[C@@H](C)[NH+]3CCCCCC3)c3ccccc3n2)cc1 ZINC000033106323 519707994 /nfs/dbraw/zinc/70/79/94/519707994.db2.gz IQJCBTBLDIQQHH-HXUWFJFHSA-N 1 0 458.606 5.245 50 0 JKAARO CC(=O)Nc1ccc(C[NH+]2CCC([C@@H](Cc3ccccc3F)N(C)C(=O)c3ccsc3)CC2)cc1 ZINC000014996314 519715752 /nfs/dbraw/zinc/71/57/52/519715752.db2.gz KKEUXRNIHRDLFT-HHHXNRCGSA-N 1 0 493.648 5.441 50 0 JKAARO CC(C)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)C[C@@H](O)COC(C)C ZINC000036306632 519717575 /nfs/dbraw/zinc/71/75/75/519717575.db2.gz YCNZLQDTXWZJBI-JOCHJYFZSA-N 1 0 469.601 5.262 50 0 JKAARO CC(C)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@H](O)COC(C)C ZINC000036307363 519717721 /nfs/dbraw/zinc/71/77/21/519717721.db2.gz AUJPIFFWKWJMJC-QHCPKHFHSA-N 1 0 469.601 5.262 50 0 JKAARO CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)N2CCC([NH+]3CCCCC3)CC2)[C@H]1c1cccs1 ZINC000020508435 519719938 /nfs/dbraw/zinc/71/99/38/519719938.db2.gz LHBAILQPAVGNLS-IZZNHLLZSA-N 1 0 479.690 5.162 50 0 JKAARO CC(C)COC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)CC1CC1 ZINC000036306870 519755779 /nfs/dbraw/zinc/75/57/79/519755779.db2.gz ASVOQDGCCQPJOT-QHCPKHFHSA-N 1 0 481.612 5.264 50 0 JKAARO CC(C)COC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C1CC1 ZINC000036307111 519755925 /nfs/dbraw/zinc/75/59/25/519755925.db2.gz UMRLYPRALZKRRR-QHCPKHFHSA-N 1 0 467.585 5.016 50 0 JKAARO CC(C)COC[C@H](O)C[N@@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000036146384 519757661 /nfs/dbraw/zinc/75/76/61/519757661.db2.gz KMMQLZZSBAWRJE-RTWAWAEBSA-N 1 0 499.866 5.676 50 0 JKAARO CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@@H]5O[C@@]6(CC[C@@H](C)C[NH2+]6)[C@@H](C)[C@@H]5[C@@]4(C)CC[C@@H]32)C1 ZINC000044387835 519757956 /nfs/dbraw/zinc/75/79/56/519757956.db2.gz MCQNPWNREVNWDQ-RJDNYFEXSA-N 1 0 455.683 5.858 50 0 JKAARO CC(C)OC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)CC1CC1 ZINC000036305033 519771732 /nfs/dbraw/zinc/77/17/32/519771732.db2.gz XMAYCUHXQNHAFF-QFIPXVFZSA-N 1 0 484.040 5.531 50 0 JKAARO CC(C)OC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)C1CC1 ZINC000036304988 519773652 /nfs/dbraw/zinc/77/36/52/519773652.db2.gz GUXNHHGEZLFPBL-OAQYLSRUSA-N 1 0 470.013 5.283 50 0 JKAARO CC(C)c1cc(C[NH+](Cc2cc(C(C)C)c(O)c(C(C)C)c2)C2CCCCC2)cc(C(C)C)c1O ZINC000008892251 519832883 /nfs/dbraw/zinc/83/28/83/519832883.db2.gz BAFYDGRPFOPAQX-UHFFFAOYSA-N 1 0 479.749 8.926 50 0 JKAARO CC(C)c1ccc(NC(=O)Cn2cc(-c3nnc(C[NH+]4CCCCC4)o3)c3ccccc32)cc1 ZINC000033129344 519837176 /nfs/dbraw/zinc/83/71/76/519837176.db2.gz MMGHLQBSTSPBLC-UHFFFAOYSA-N 1 0 457.578 5.439 50 0 JKAARO CC(C)c1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C4N=NC(=S)N4CCC[NH+](C)C)cc3N2)cc1 ZINC000020028580 519840287 /nfs/dbraw/zinc/84/02/87/519840287.db2.gz OVCYCJOMHQMVGG-MJGOQNOKSA-N 1 0 493.603 5.166 50 0 JKAARO CCC[NH+]1CCC(N(C(=O)c2cc(Cl)nc(Cl)c2)c2ccc3[nH]c(C(C)(C)C)cc3c2)CC1 ZINC000016080054 519843187 /nfs/dbraw/zinc/84/31/87/519843187.db2.gz CIUHWKQHIZFYBS-UHFFFAOYSA-N 1 0 487.475 6.688 50 0 JKAARO CCC[NH+]1CCC(N(C(=O)c2ccc(NC(=O)C(c3ccccc3)c3ccccc3)cc2)C2CC2)CC1 ZINC000016080107 519843271 /nfs/dbraw/zinc/84/32/71/519843271.db2.gz BJZUANDBQMSFNK-UHFFFAOYSA-N 1 0 495.667 5.936 50 0 JKAARO CC(C)c1ccccc1OCc1nc(CN(CC[NH+]2CCCCC2)C(=O)C2CCCC2)cs1 ZINC000036116617 519847817 /nfs/dbraw/zinc/84/78/17/519847817.db2.gz CCKJLXGGXHOOJU-UHFFFAOYSA-N 1 0 469.695 5.850 50 0 JKAARO CCCC(=O)OC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)CC(C)C ZINC000036306679 519881024 /nfs/dbraw/zinc/88/10/24/519881024.db2.gz FMLPEXYCOQGXQV-QFIPXVFZSA-N 1 0 497.611 5.181 50 0 JKAARO CCCC(=O)OC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)CC(C)C ZINC000036306677 519881458 /nfs/dbraw/zinc/88/14/58/519881458.db2.gz FMLPEXYCOQGXQV-JOCHJYFZSA-N 1 0 497.611 5.181 50 0 JKAARO CCCCCCNC(=O)OCCCCCCNC(=O)OC1CC[NH+](Cc2ccccc2)CC1 ZINC000008647957 520091531 /nfs/dbraw/zinc/09/15/31/520091531.db2.gz DTEJQIMQUJSAFG-UHFFFAOYSA-N 1 0 461.647 5.244 50 0 JKAARO 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CC[NH+](CC)CCC[C@H](C)Nc1nc(/C=C/c2ccc(Cl)cc2Cl)nc2ccccc21 ZINC000033707582 520637895 /nfs/dbraw/zinc/63/78/95/520637895.db2.gz AEZGQJCNTNWZDV-DUVHGLKDSA-N 1 0 457.449 7.029 50 0 JKAARO CC[NH+](CC)CCNC(=O)CCc1cc2c(n1-c1ccc(Cl)cc1)-c1ccccc1OC2 ZINC000023431513 520669342 /nfs/dbraw/zinc/66/93/42/520669342.db2.gz WLYPTQFOJUJLDI-UHFFFAOYSA-N 1 0 451.998 5.081 50 0 JKAARO CCOc1cc(C[NH+]2CCC([C@@H](Cc3ccccc3)N(C)C(=O)c3cccs3)CC2)ccc1O ZINC000014882594 520695835 /nfs/dbraw/zinc/69/58/35/520695835.db2.gz MGCDMBORCUQHPZ-XMMPIXPASA-N 1 0 478.658 5.448 50 0 JKAARO CCCC[NH2+][C@H](c1sc2nc(C)cc(COC)c2c1NC(=O)c1ccccc1)c1ccccc1 ZINC000012420160 520696304 /nfs/dbraw/zinc/69/63/04/520696304.db2.gz OLDNNODHMCVBGL-DEOSSOPVSA-N 1 0 473.642 6.483 50 0 JKAARO CCOc1cc(C[NH+]2CCC([C@H](Cc3ccccc3)N(C)C(=O)c3cccs3)CC2)ccc1O ZINC000014882595 520697784 /nfs/dbraw/zinc/69/77/84/520697784.db2.gz MGCDMBORCUQHPZ-DEOSSOPVSA-N 1 0 478.658 5.448 50 0 JKAARO CCOc1cc(C[NH2+][C@H](C)C23CC4CC(CC(C4)C2)C3)cc(Cl)c1OCC(=O)NC(C)(C)C ZINC000016319359 520727840 /nfs/dbraw/zinc/72/78/40/520727840.db2.gz UTGCOWKXEJKHNX-IHAPDJFTSA-N 1 0 477.089 5.727 50 0 JKAARO CC[NH+](CC)Cc1ccc(CNC(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)cc1 ZINC000014701606 520747353 /nfs/dbraw/zinc/74/73/53/520747353.db2.gz FPUYSKAISHKDMG-SANMLTNESA-N 1 0 478.036 5.359 50 0 JKAARO CCC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)CC(C)C ZINC000036304302 520798382 /nfs/dbraw/zinc/79/83/82/520798382.db2.gz MNZDNPVWWDDBLM-HSZRJFAPSA-N 1 0 451.611 5.601 50 0 JKAARO CCOc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3NC[C@@H](c2ccco2)[NH+](C)C)cc1 ZINC000035681704 520837114 /nfs/dbraw/zinc/83/71/14/520837114.db2.gz RUWFLAIMASREMT-DEOSSOPVSA-N 1 0 467.573 5.794 50 0 JKAARO CC1=C(C)[C@H]([NH2+]C[C@@H]2CCCO2)N(C[C@]2(C)CCC[C@]3(C)c4ccc(C(C)C)cc4CC[C@@H]23)C1=O ZINC000013940050 520841673 /nfs/dbraw/zinc/84/16/73/520841673.db2.gz UKAOSFBZTLJMQZ-OSXRZYMSSA-N 1 0 478.721 6.094 50 0 JKAARO CCN(CC)c1onc(-c2ccccc2)c1C[N@H+](C[C@@H](O)COc1ccccc1C)CC1CC1 ZINC000036246103 520938953 /nfs/dbraw/zinc/93/89/53/520938953.db2.gz BUIXUPZZZDXANQ-XMMPIXPASA-N 1 0 463.622 5.148 50 0 JKAARO CCOc1ccc(C[NH+]2CCN(c3ncnc4scc(-c5ccc(Cl)cc5)c43)CC2)cc1 ZINC000002996745 520974453 /nfs/dbraw/zinc/97/44/53/520974453.db2.gz CFAFVHHXNXCBHZ-UHFFFAOYSA-N 1 0 465.022 5.733 50 0 JKAARO CC1CC[NH+](Cc2nnc(-c3cn(CC(=O)Nc4ccccc4C(F)(F)F)c4ccccc34)o2)CC1 ZINC000033129350 521027544 /nfs/dbraw/zinc/02/75/44/521027544.db2.gz SHDUDLOPNUAWIY-UHFFFAOYSA-N 1 0 497.521 5.581 50 0 JKAARO CCC(=C(c1ccc(OC)cc1)c1ccc(OC)cc1)c1cn(C[C@H](O)C[NH+](C)C)c2ccccc12 ZINC000008431273 521057400 /nfs/dbraw/zinc/05/74/00/521057400.db2.gz FLUSFFKCRTWZJX-XMMPIXPASA-N 1 0 484.640 5.950 50 0 JKAARO CC[N@H+](CCNC(=O)c1cccc(Nc2cc(-c3ccccc3)ncn2)c1)Cc1ccccc1 ZINC000033261119 521073425 /nfs/dbraw/zinc/07/34/25/521073425.db2.gz IYJIJTLRYYBKRJ-UHFFFAOYSA-N 1 0 451.574 5.139 50 0 JKAARO CCC[C@H](O)C[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1)CC1CC1 ZINC000036309247 521180679 /nfs/dbraw/zinc/18/06/79/521180679.db2.gz AVTYXMFEUXFNJY-OZXSUGGESA-N 1 0 484.706 5.249 50 0 JKAARO CCC[C@H](O)C[N@H+](CCC)Cc1c(C)nn(-c2ccc(Cl)cc2)c1Oc1ccccc1OC ZINC000036301864 521181878 /nfs/dbraw/zinc/18/18/78/521181878.db2.gz GADBUFCEOQPMDH-QFIPXVFZSA-N 1 0 472.029 6.008 50 0 JKAARO CCOC(=O)c1cc(Cc2ccccc2)sc1NC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000016346441 521435656 /nfs/dbraw/zinc/43/56/56/521435656.db2.gz NDHDHZIEUSSDEO-UHFFFAOYSA-N 1 0 493.698 5.467 50 0 JKAARO CCN1C(=O)N(CCCc2cccnc2)C(=O)C12CC[NH+](Cc1cccc(-c3ccccc3C)c1)CC2 ZINC000014741844 521525300 /nfs/dbraw/zinc/52/53/00/521525300.db2.gz ISBHTWRRNQLNTO-UHFFFAOYSA-N 1 0 496.655 5.309 50 0 JKAARO CCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CC[NH+](CC(c1ccccc1)c1ccccc1)CC2 ZINC000014746020 521527584 /nfs/dbraw/zinc/52/75/84/521527584.db2.gz MYYWYGBUVQALQY-UHFFFAOYSA-N 1 0 497.639 5.146 50 0 JKAARO CCOC(=O)c1ccc2nc(C(F)(F)F)cc(NC3CC[NH+](Cc4ccccc4)CC3)c2c1 ZINC000020443941 521532690 /nfs/dbraw/zinc/53/26/90/521532690.db2.gz RQVCOYSIWFCLHP-UHFFFAOYSA-N 1 0 457.496 5.507 50 0 JKAARO CCCn1c(CN2CC[NH+](Cc3ccccc3)CC2)nc2cc(NC(=O)C3CCCCC3)ccc21 ZINC000022804472 521629944 /nfs/dbraw/zinc/62/99/44/521629944.db2.gz XGQBRYGVWWUMPU-UHFFFAOYSA-N 1 0 473.665 5.283 50 0 JKAARO CCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C[C@H](O)Cc1ccccc1 ZINC000036307177 521678115 /nfs/dbraw/zinc/67/81/15/521678115.db2.gz PXUGGUPJSKHIQD-RUZDIDTESA-N 1 0 473.592 5.834 50 0 JKAARO CCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C[C@@H](O)COCC(C)C ZINC000036307185 521678311 /nfs/dbraw/zinc/67/83/11/521678311.db2.gz OYPUJZAOAULUDF-HSZRJFAPSA-N 1 0 469.601 5.264 50 0 JKAARO CCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1)C[C@@H](O)COCC(C)C ZINC000036305542 521678584 /nfs/dbraw/zinc/67/85/84/521678584.db2.gz TUHBSVSMENNCQQ-HSZRJFAPSA-N 1 0 481.637 5.134 50 0 JKAARO CCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@H](O)COC(C)(C)C ZINC000036308267 521678614 /nfs/dbraw/zinc/67/86/14/521678614.db2.gz ULYYVFNGQMTUSI-QFIPXVFZSA-N 1 0 451.611 5.267 50 0 JKAARO CCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C[C@H](O)COC(C)(C)C ZINC000036307206 521678637 /nfs/dbraw/zinc/67/86/37/521678637.db2.gz VCKYIRJPNMLAQQ-QFIPXVFZSA-N 1 0 469.601 5.407 50 0 JKAARO CCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)C[C@H](O)COCC(C)C ZINC000036305892 521678661 /nfs/dbraw/zinc/67/86/61/521678661.db2.gz XEBGMZARCSSKQK-QHCPKHFHSA-N 1 0 481.637 5.134 50 0 JKAARO CCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@H](O)COCc1ccco1 ZINC000036307656 521678681 /nfs/dbraw/zinc/67/86/81/521678681.db2.gz CXHGPHLLFOOYPM-QHCPKHFHSA-N 1 0 493.579 5.401 50 0 JKAARO CCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@@H](O)COCC(C)C ZINC000036308253 521678733 /nfs/dbraw/zinc/67/87/33/521678733.db2.gz LRDAZXLAFSAIQO-HSZRJFAPSA-N 1 0 451.611 5.125 50 0 JKAARO CCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@@H](O)COC(C)C ZINC000036307651 521678761 /nfs/dbraw/zinc/67/87/61/521678761.db2.gz PVQUFTLMKFQEJI-JOCHJYFZSA-N 1 0 455.574 5.016 50 0 JKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccc(Cl)cc2)c1Oc1ccccc1OC)C[C@@H](O)CC ZINC000036301872 521678925 /nfs/dbraw/zinc/67/89/25/521678925.db2.gz GVMFPSODNFGYMC-NRFANRHFSA-N 1 0 458.002 5.618 50 0 JKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C[C@@H](O)COC(C)(C)C ZINC000036304191 521679202 /nfs/dbraw/zinc/67/92/02/521679202.db2.gz SQRKWESGYPHKFR-JOCHJYFZSA-N 1 0 487.591 5.639 50 0 JKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C[C@H](O)COC(C)(C)C ZINC000036304556 521679384 /nfs/dbraw/zinc/67/93/84/521679384.db2.gz TYWYLXSPMFLDLJ-QHCPKHFHSA-N 1 0 481.637 5.370 50 0 JKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C[C@H](O)COC(C)(C)C ZINC000036302201 521680239 /nfs/dbraw/zinc/68/02/39/521680239.db2.gz PZBAEQZNGSSZAE-QHCPKHFHSA-N 1 0 481.637 5.370 50 0 JKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C[C@H](O)COCC(C)C ZINC000036302184 521680298 /nfs/dbraw/zinc/68/02/98/521680298.db2.gz AVLWSYYGCXPGBT-DEOSSOPVSA-N 1 0 481.637 5.227 50 0 JKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C[C@@H](O)COCC(C)C ZINC000036302187 521680391 /nfs/dbraw/zinc/68/03/91/521680391.db2.gz AVLWSYYGCXPGBT-XMMPIXPASA-N 1 0 481.637 5.227 50 0 JKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C[C@@H](O)COC(C)(C)C ZINC000036302204 521680495 /nfs/dbraw/zinc/68/04/95/521680495.db2.gz PZBAEQZNGSSZAE-HSZRJFAPSA-N 1 0 481.637 5.370 50 0 JKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C[C@H](O)Cc1ccccc1 ZINC000036302179 521680628 /nfs/dbraw/zinc/68/06/28/521680628.db2.gz AHVKFWQXSMVBCR-AREMUKBSSA-N 1 0 485.628 5.797 50 0 JKAARO CCC[N@@H+](Cc1c(CC)nn(-c2ccc(OC)cc2)c1Oc1ccccc1OC)C[C@H](O)C(C)C ZINC000036303366 521680636 /nfs/dbraw/zinc/68/06/36/521680636.db2.gz JNZPJUDJHKLJPT-VWLOTQADSA-N 1 0 481.637 5.473 50 0 JKAARO CCC[N@H+](Cc1ccc(C(O)(c2cccs2)c2cccs2)o1)Cc1ccccc1OC ZINC000036167858 521682738 /nfs/dbraw/zinc/68/27/38/521682738.db2.gz CLAKHCAGMCJQGH-UHFFFAOYSA-N 1 0 453.629 6.108 50 0 JKAARO CCC[N@H+](Cc1ccc(C(O)(c2cccc(F)c2)c2cccc(F)c2)o1)Cc1cccc(OC)c1 ZINC000036203423 521682772 /nfs/dbraw/zinc/68/27/72/521682772.db2.gz WHSFGQPSGWRXPJ-UHFFFAOYSA-N 1 0 477.551 6.263 50 0 JKAARO CC[NH+]1CCN([C@@H](c2c3c(sc2NC(=O)c2ccco2)CCCC3)c2ccc(SC)cc2)CC1 ZINC000038546595 521693147 /nfs/dbraw/zinc/69/31/47/521693147.db2.gz QLOMVVOAGWACPX-RUZDIDTESA-N 1 0 495.714 5.921 50 0 JKAARO C[NH+](C)CCN(Cc1csc(COc2cc(Cl)ccc2Cl)n1)C(=O)c1ccccc1F ZINC000036124494 521752899 /nfs/dbraw/zinc/75/28/99/521752899.db2.gz ZALQMBWIOKBOGI-UHFFFAOYSA-N 1 0 482.408 5.372 50 0 JKAARO COC(=O)c1c(NCC2CC[NH+](Cc3cccc(F)c3)CC2)onc1-c1ccc(Cl)cc1 ZINC000046914232 521773453 /nfs/dbraw/zinc/77/34/53/521773453.db2.gz SRAXADRYUWSYTF-UHFFFAOYSA-N 1 0 457.933 5.245 50 0 JKAARO CNC(=O)c1cc(Oc2ccc3[nH]c(Nc4ccc(Cl)c(C(F)(F)F)c4)[nH+]c3c2)ccn1 ZINC000016052883 521788617 /nfs/dbraw/zinc/78/86/17/521788617.db2.gz ZJLSMLDOCGOURY-UHFFFAOYSA-N 1 0 461.831 5.526 50 0 in-vivo JKAARO CC[C@H](C)c1ccccc1OC[C@H](O)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022836264 522049659 /nfs/dbraw/zinc/04/96/59/522049659.db2.gz WARWMTJSACPRBM-RPLLCQBOSA-N 1 0 458.646 5.347 50 0 JKAARO C[NH+](C)[C@H](CNc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(C(F)(F)F)c1)c1ccco1 ZINC000035681699 522089732 /nfs/dbraw/zinc/08/97/32/522089732.db2.gz ZKKFFGILKUPCEQ-JOCHJYFZSA-N 1 0 491.517 6.414 50 0 JKAARO CC[C@@H](C)[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)C[C@H](O)COC(C)(C)C ZINC000036305806 522094609 /nfs/dbraw/zinc/09/46/09/522094609.db2.gz DOHUMSFYLWEUNS-GGAORHGYSA-N 1 0 495.664 5.665 50 0 JKAARO CC[C@@H](C)[N@H+](Cc1ccc(C(O)(c2cccc(F)c2)c2cccc(F)c2)o1)Cc1ccccc1OC ZINC000036167807 522098087 /nfs/dbraw/zinc/09/80/87/522098087.db2.gz DXABFDMELMRITC-OAQYLSRUSA-N 1 0 491.578 6.651 50 0 JKAARO CN(C)c1ccc(C2=[NH+]O[C@@H](CN(Cc3cccc(C(F)(F)F)c3)C(=O)C3CCC3)C2)cc1 ZINC000037439549 522159300 /nfs/dbraw/zinc/15/93/00/522159300.db2.gz CRZUUNUCKPKAAZ-JOCHJYFZSA-N 1 0 459.512 5.093 50 0 JKAARO COC(=O)c1sc2nc(C[NH+]3CCCCC3)ccc2c1NC(=O)c1c(F)cccc1Cl ZINC000014974392 522434878 /nfs/dbraw/zinc/43/48/78/522434878.db2.gz KBYRIDBTKWPHTC-UHFFFAOYSA-N 1 0 461.946 5.114 50 0 JKAARO COc1cc(C[NH2+][C@H](C)c2ccccc2)cc(Br)c1OCC(=O)NCc1ccccc1 ZINC000016382635 522484943 /nfs/dbraw/zinc/48/49/43/522484943.db2.gz PVMHFZTWNQQGEA-GOSISDBHSA-N 1 0 483.406 5.004 50 0 JKAARO CC[C@H]([NH2+]C1CCN(c2ccc(C(=O)NC3CCCC3)cc2)CC1)c1nc2cc(C)ccc2[nH]1 ZINC000012246338 522563722 /nfs/dbraw/zinc/56/37/22/522563722.db2.gz HIICHYVEDOWRAM-DEOSSOPVSA-N 1 0 459.638 5.253 50 0 JKAARO CCc1nn(-c2ccc(F)cc2)c(Oc2ccccc2)c1C[N@H+](C[C@@H](O)COC(C)C)C(C)C ZINC000036303441 522636890 /nfs/dbraw/zinc/63/68/90/522636890.db2.gz UZWWWHQSGBIDOS-HSZRJFAPSA-N 1 0 469.601 5.362 50 0 JKAARO CCc1nn(-c2ccccc2)c(Oc2cccc(OC)c2)c1C[N@H+](C[C@H](O)COC(C)C)CC1CC1 ZINC000036302621 522640822 /nfs/dbraw/zinc/64/08/22/522640822.db2.gz BECRUEMTPWSKQU-DEOSSOPVSA-N 1 0 493.648 5.234 50 0 JKAARO COCC(=O)N(C)[C@H](Cc1ccc(F)cc1)C1CC[NH+]([C@H](C)CCc2c[nH]c3ccccc23)CC1 ZINC000014989739 522728591 /nfs/dbraw/zinc/72/85/91/522728591.db2.gz XABFNTDFEFFLKN-LYZGTLIUSA-N 1 0 479.640 5.056 50 0 JKAARO COc1cc([C@@H](C)[NH2+]Cc2cn(Cc3ccccc3)nc2-c2ccc(C)c(C)c2)ccc1OCCO ZINC000048275575 522908455 /nfs/dbraw/zinc/90/84/55/522908455.db2.gz WNWSUDFKZDRENE-HSZRJFAPSA-N 1 0 485.628 5.446 50 0 JKAARO COCc1ccc(CN2CCOc3ccc(C[NH+]4CCC(OCc5ccccc5)CC4)cc3C2)o1 ZINC000012338196 522976950 /nfs/dbraw/zinc/97/69/50/522976950.db2.gz HPIPFTZFQNKCSW-UHFFFAOYSA-N 1 0 476.617 5.002 50 0 JKAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)Nc1ccc2c(c1)N(Cc1ccc(C)cc1)C(=O)CS2 ZINC000020385944 523020781 /nfs/dbraw/zinc/02/07/81/523020781.db2.gz AGAMCOPGRKOWGH-QHCPKHFHSA-N 1 0 480.678 5.410 50 0 JKAARO COc1ccc(-c2cc(-c3ccc(Cl)cc3)nc(NC(=O)C[NH+]3CCCCCC3)n2)cc1 ZINC000021659412 523083626 /nfs/dbraw/zinc/08/36/26/523083626.db2.gz LLNVTFSXUPTMAI-UHFFFAOYSA-N 1 0 450.970 5.287 50 0 JKAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(NC(=O)N2CCSc3nc(C)cc(C)c32)cc1 ZINC000021880346 523169953 /nfs/dbraw/zinc/16/99/53/523169953.db2.gz SLRFUNOLJGJQLP-HSZRJFAPSA-N 1 0 495.693 5.227 50 0 JKAARO C[N@H+](Cc1cc2ccccc2s1)Cc1ccc(OC2CCN(C(=O)c3cncs3)CC2)cc1 ZINC000012196554 523188318 /nfs/dbraw/zinc/18/83/18/523188318.db2.gz YXYVBYCFLKQQDU-UHFFFAOYSA-N 1 0 477.655 5.673 50 0 JKAARO C[N@H+](Cc1cc2ccccc2s1)Cc1ccc(OC2CCN(C(=O)C3CCCCC3)CC2)cc1 ZINC000014886328 523188955 /nfs/dbraw/zinc/18/89/55/523188955.db2.gz GFYUAHQQFYIZLQ-UHFFFAOYSA-N 1 0 476.686 6.483 50 0 JKAARO COc1ccc(-c2nc3cc(SC)ccc3cc2CN(CC[NH+](C)C)C(=O)c2cccs2)cc1 ZINC000012247566 523230032 /nfs/dbraw/zinc/23/00/32/523230032.db2.gz FIPCZXOLWSXNHJ-UHFFFAOYSA-N 1 0 491.682 5.898 50 0 JKAARO COCCC[N@H+](Cc1ccc(C(O)(c2cccs2)c2cccs2)o1)Cc1cccc(F)c1 ZINC000036203113 523264772 /nfs/dbraw/zinc/26/47/72/523264772.db2.gz JXPMRSGVJDALGD-UHFFFAOYSA-N 1 0 471.619 5.865 50 0 JKAARO COCCC[N@H+](Cc1ccc(C(O)(c2cccc(F)c2)c2cccc(F)c2)o1)Cc1ccc(F)cc1 ZINC000036167755 523264994 /nfs/dbraw/zinc/26/49/94/523264994.db2.gz UPXRCHFGCKNEQC-UHFFFAOYSA-N 1 0 495.541 6.020 50 0 JKAARO C[N@H+](Cc1cccc(OCC[C@H]2CCCCN2C(=O)c2ccoc2)c1)Cc1cccc2cccnc21 ZINC000014882579 523316205 /nfs/dbraw/zinc/31/62/05/523316205.db2.gz CKJSLWPVJBYSPK-HHHXNRCGSA-N 1 0 483.612 5.924 50 0 JKAARO CCn1cc(C[NH+]2CCC([C@H](Cc3ccccc3F)N(C)C(=O)c3ccsc3)CC2)c(C)n1 ZINC000012244027 523369381 /nfs/dbraw/zinc/36/93/81/523369381.db2.gz XLMNYBDCUWQGBV-VWLOTQADSA-N 1 0 468.642 5.008 50 0 JKAARO COc1ccc(/C=C/C[NH+]2CCC([C@@H](Cc3ccccc3)N(C(=O)c3ccco3)C3CC3)CC2)cc1 ZINC000014989140 523405597 /nfs/dbraw/zinc/40/55/97/523405597.db2.gz NPMXZSBPOJFQIT-LYZZWCSJSA-N 1 0 484.640 5.930 50 0 JKAARO CCn1nc(C)c(C[NH+]2CCC([C@@H](Cc3ccccc3)N(C)C(=O)c3cccs3)CC2)c1C ZINC000012452896 523640288 /nfs/dbraw/zinc/64/02/88/523640288.db2.gz CYWSLQHHGHPVEU-RUZDIDTESA-N 1 0 464.679 5.177 50 0 JKAARO CCn1nc(C)c(C[NH+]2CCC([C@H](Cc3ccccc3F)N(C)C(=O)c3ccoc3C)CC2)c1C ZINC000012513644 523641146 /nfs/dbraw/zinc/64/11/46/523641146.db2.gz YMGGJDRKGJDHOG-MHZLTWQESA-N 1 0 480.628 5.156 50 0 JKAARO CCn1nc(C)c(C[NH+]2CCC([C@H](Cc3ccccc3Cl)N(C)C(=O)c3ccco3)CC2)c1C ZINC000014978717 523641544 /nfs/dbraw/zinc/64/15/44/523641544.db2.gz AEVDEMNGPTXRQF-VWLOTQADSA-N 1 0 483.056 5.362 50 0 JKAARO CCn1nc(C)c(C[NH+]2CCC([C@@H](Cc3ccccc3F)N(C)C(=O)c3ccoc3C)CC2)c1C ZINC000012513638 523642322 /nfs/dbraw/zinc/64/23/22/523642322.db2.gz YMGGJDRKGJDHOG-HHHXNRCGSA-N 1 0 480.628 5.156 50 0 JKAARO COc1ccc(C(=O)N2C[C@@H](C[NH+]3CCC(Cc4ccccc4)CC3)[C@@H](c3ccccc3)C2)cc1OC ZINC000034697599 523670134 /nfs/dbraw/zinc/67/01/34/523670134.db2.gz DWIDZWIKQDMMGE-FQLXRVMXSA-N 1 0 498.667 5.514 50 0 JKAARO C[NH+]1C(C)(C)CC(NC(=O)c2ccc(-c3cc(-c4cccc(C(F)(F)F)c4)n[nH]3)cc2)CC1(C)C ZINC000023436410 523737623 /nfs/dbraw/zinc/73/76/23/523737623.db2.gz IZRWQVRQGUMLSO-UHFFFAOYSA-N 1 0 484.566 6.144 50 0 JKAARO C[NH+]1CCC2(CC1)Oc1c(Cl)cc(Cl)cc1[C@H]1CC(c3ccc(Oc4ccccc4)cc3)=NN12 ZINC000009191597 523788781 /nfs/dbraw/zinc/78/87/81/523788781.db2.gz MOWSCCKHJQJWGO-RUZDIDTESA-N 1 0 494.422 6.751 50 0 JKAARO COc1ccc(C(O)(c2ccc(C[N@H+](Cc3ccccc3C)C3CC3)o2)c2ccc(OC)cc2)cc1 ZINC000036203276 523796394 /nfs/dbraw/zinc/79/63/94/523796394.db2.gz PRBDDTSHQZPPAZ-UHFFFAOYSA-N 1 0 483.608 6.054 50 0 JKAARO CC[C@H](C)[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)C[C@H](O)Cc1ccccc1 ZINC000036305786 523941405 /nfs/dbraw/zinc/94/14/05/523941405.db2.gz CJHGTQUQRFRYBS-JYFHCDHNSA-N 1 0 499.655 6.092 50 0 JKAARO CN(C(=O)c1cccs1)[C@H](Cc1ccccc1F)C1CC[NH+](Cc2ccc3cccnc3c2)CC1 ZINC000012242788 523951031 /nfs/dbraw/zinc/95/10/31/523951031.db2.gz DDQCYCNJLXNUSR-HHHXNRCGSA-N 1 0 487.644 6.031 50 0 JKAARO CN(C(=O)c1cccs1)[C@@H](Cc1ccccc1F)C1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000012455100 523951049 /nfs/dbraw/zinc/95/10/49/523951049.db2.gz GMJOJNVCUAEOCE-DEOSSOPVSA-N 1 0 494.632 5.254 50 0 JKAARO CN(C(=O)c1cccs1)[C@H](Cc1ccccc1F)C1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000012281485 523951803 /nfs/dbraw/zinc/95/18/03/523951803.db2.gz KGZGORPJJRVIIY-RUZDIDTESA-N 1 0 478.633 5.418 50 0 JKAARO CN(C(=O)c1ccco1)[C@@H](Cc1ccc(F)cc1F)C1CC[NH+](Cc2cccc3ncccc23)CC1 ZINC000012244556 523951816 /nfs/dbraw/zinc/95/18/16/523951816.db2.gz IBWRYPRKEWDEJZ-MHZLTWQESA-N 1 0 489.566 5.702 50 0 JKAARO CN(C(=O)c1ccco1)[C@H](Cc1ccccc1Cl)C1CC[NH+](Cc2ccc3ncccc3c2)CC1 ZINC000014996948 523951931 /nfs/dbraw/zinc/95/19/31/523951931.db2.gz QEKNMULRQFTLAR-HHHXNRCGSA-N 1 0 488.031 6.077 50 0 JKAARO CN(C(=O)c1ccco1)[C@@H](Cc1ccccc1Cl)C1CC[NH+](Cc2ccc3cccnc3c2)CC1 ZINC000014976681 523951945 /nfs/dbraw/zinc/95/19/45/523951945.db2.gz FMPTUPDRHOSVLJ-MHZLTWQESA-N 1 0 488.031 6.077 50 0 JKAARO CN(C(=O)c1ccsc1)[C@@H](Cc1ccccc1F)C1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000014963862 523955145 /nfs/dbraw/zinc/95/51/45/523955145.db2.gz JXIHGOCQXWHACL-VWLOTQADSA-N 1 0 494.632 5.254 50 0 JKAARO CN(C(=O)c1ccsc1)[C@H](Cc1ccccc1F)C1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000014963866 523956308 /nfs/dbraw/zinc/95/63/08/523956308.db2.gz JXIHGOCQXWHACL-RUZDIDTESA-N 1 0 494.632 5.254 50 0 JKAARO COc1ccc(CC[NH2+]Cc2c(OCc3ccc(Cl)cc3Cl)ccc3ccccc32)cc1OC ZINC000016227374 523973410 /nfs/dbraw/zinc/97/34/10/523973410.db2.gz MKWWDKDJZJBIEY-UHFFFAOYSA-N 1 0 496.434 7.075 50 0 JKAARO COc1ccc(C[N@@H+](Cc2cc(=O)n3c(-c4ccc(F)cc4)csc3n2)CC(C)C)cc1OC ZINC000033268835 524013451 /nfs/dbraw/zinc/01/34/51/524013451.db2.gz CPUJCPCKJPSPRM-UHFFFAOYSA-N 1 0 481.593 5.238 50 0 JKAARO CCc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(NC4CCCCC4)nc(C)[nH+]3)cc2)cc1 ZINC000033326912 524016656 /nfs/dbraw/zinc/01/66/56/524016656.db2.gz RZEBDZHXWWXONW-UHFFFAOYSA-N 1 0 465.623 5.636 50 0 JKAARO CO[C@H]1[C@H](NC(=O)c2cccc(F)c2)c2ccccc2C12CC[NH+](Cc1ccc(O)c(Cl)c1)CC2 ZINC000014888968 524022931 /nfs/dbraw/zinc/02/29/31/524022931.db2.gz HYHPIXHTTCIPGQ-FTJBHMTQSA-N 1 0 494.994 5.218 50 0 JKAARO COc1ccc(C[NH+]2CCC([C@H](Cc3ccccc3Cl)N(C)C(=O)c3ccco3)CC2)cc1OC ZINC000014988221 524024336 /nfs/dbraw/zinc/02/43/36/524024336.db2.gz IEVZLXNEKJVEMI-DEOSSOPVSA-N 1 0 497.035 5.546 50 0 JKAARO CCc1ccc([C@H]2C[C@@H](C(=O)Nc3ccc(OC)cc3)C[N@H+](Cc3ccc(OC)cc3)C2)cc1 ZINC000034711373 524056172 /nfs/dbraw/zinc/05/61/72/524056172.db2.gz KKCQDROKYWADCQ-LOSJGSFVSA-N 1 0 458.602 5.511 50 0 JKAARO C[C@H]1CCC[N@H+](CCCNC(=O)Cn2cccc2-c2nc(-c3ccc(Cl)cc3)cs2)C1 ZINC000021656913 524087471 /nfs/dbraw/zinc/08/74/71/524087471.db2.gz AVUTZCRQIFLSCY-SFHVURJKSA-N 1 0 457.043 5.170 50 0 JKAARO C[C@H]1CCC[N@H+](CCCNC(=O)CN2C(=O)/C(=C\c3ccc(Cl)cc3)Sc3ccccc32)C1 ZINC000020181400 524087684 /nfs/dbraw/zinc/08/76/84/524087684.db2.gz XMYICNOLINTOCE-JWGRYVKWSA-N 1 0 484.065 5.058 50 0 JKAARO C[C@H]1CCC[N@H+](CCCNC(=O)c2ccc(Oc3nccnc3Sc3ccc(Cl)cc3)cc2)C1 ZINC000033139917 524087725 /nfs/dbraw/zinc/08/77/25/524087725.db2.gz IJWOZCITLCGLCP-IBGZPJMESA-N 1 0 497.064 5.925 50 0 JKAARO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1nc(-c2ccc(Cl)cc2)cc(-c2ccc(Cl)cc2)n1 ZINC000021659439 524096852 /nfs/dbraw/zinc/09/68/52/524096852.db2.gz YVRMSQBXAKLXSL-MRXNPFEDSA-N 1 0 455.389 5.930 50 0 JKAARO Cc1cccc(-c2cccc(C(=O)NC[C@@H]3CCC4(CC[NH+](Cc5ccccc5)CC4)O3)c2)c1 ZINC000014879032 524110126 /nfs/dbraw/zinc/11/01/26/524110126.db2.gz AUFUVIJQBADBAB-NDEPHWFRSA-N 1 0 454.614 5.606 50 0 JKAARO Cc1ccc(C)c(N2CC[NH+](CCCNC(=O)Cn3c(-c4cccs4)cc4ccccc43)CC2)c1 ZINC000008602180 524125124 /nfs/dbraw/zinc/12/51/24/524125124.db2.gz QRMJQGCVMVJRLZ-UHFFFAOYSA-N 1 0 486.685 5.315 50 0 JKAARO C[C@H](CCCC(C)(C)O)[NH2+]Cc1cc2ccc(Cl)cc2n(CCOc2ccccc2)c1=O ZINC000014974333 524134865 /nfs/dbraw/zinc/13/48/65/524134865.db2.gz OFQDEOFZCMZVAD-LJQANCHMSA-N 1 0 457.014 5.153 50 0 JKAARO COc1ccc(C[C@H]([NH3+])c2ccc(OC)c(OCc3ccccc3)c2)cc1OCc1ccccc1 ZINC000004352919 524155845 /nfs/dbraw/zinc/15/58/45/524155845.db2.gz QURUWWAPSACQDY-SANMLTNESA-N 1 0 469.581 6.104 50 0 JKAARO C[C@H](CC[NH+]1CCC2(C[C@H]2C(=O)NCC2(c3ccccc3)CCOCC2)CC1)c1ccccc1 ZINC000014879337 524175738 /nfs/dbraw/zinc/17/57/38/524175738.db2.gz WCAZGJFCYQJIGE-SQHAQQRYSA-N 1 0 460.662 5.147 50 0 JKAARO Cc1ccc(C)n1-c1c2cccnc2sc1C(=O)NCC1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000033059979 524218040 /nfs/dbraw/zinc/21/80/40/524218040.db2.gz NAXCYPQGBUBNEB-UHFFFAOYSA-N 1 0 472.658 5.654 50 0 JKAARO C[C@@H]1CCC[N@H+](CCCNC(=O)c2ccc(Oc3nccnc3Sc3ccc(Cl)cc3)cc2)C1 ZINC000033139916 524223573 /nfs/dbraw/zinc/22/35/73/524223573.db2.gz IJWOZCITLCGLCP-LJQANCHMSA-N 1 0 497.064 5.925 50 0 JKAARO COc1cccc2cc(C(=O)N(CC[NH+](C)C)c3nc4ccc(OC(F)(F)F)cc4s3)oc21 ZINC000042384868 524258219 /nfs/dbraw/zinc/25/82/19/524258219.db2.gz QFOMPXKNBCLPGP-UHFFFAOYSA-N 1 0 479.480 5.158 50 0 JKAARO Cc1cc(C)c(S(=O)(=O)Nc2ccc(Nc3cc(NC4CCCCC4)nc(C)[nH+]3)cc2)cc1C ZINC000033326909 524325163 /nfs/dbraw/zinc/32/51/63/524325163.db2.gz RSBWCXHHGNOADZ-UHFFFAOYSA-N 1 0 479.650 5.999 50 0 JKAARO C[C@@H]1CCC[C@H]([N@H+](CCCNC(=O)c2noc3c2COc2ccccc2-3)Cc2ccco2)[C@@H]1C ZINC000020484826 524391546 /nfs/dbraw/zinc/39/15/46/524391546.db2.gz JCRBPZCYHMFIKU-PWHSHALESA-N 1 0 463.578 5.274 50 0 JKAARO Cc1ccc(C[N@@H+](Cc2ccc(C(O)(c3cccc(F)c3)c3cccc(F)c3)o2)C(C)C)s1 ZINC000036203621 524418334 /nfs/dbraw/zinc/41/83/34/524418334.db2.gz LAPWSNOIYZXUAI-UHFFFAOYSA-N 1 0 467.581 6.623 50 0 JKAARO Cc1ccc(CN2C(=O)CSc3ccc(NC(=O)NCCC[N@@H+](C)Cc4ccccc4)cc32)cc1 ZINC000020385929 524429280 /nfs/dbraw/zinc/42/92/80/524429280.db2.gz QINAYEXVRSFIGD-UHFFFAOYSA-N 1 0 488.657 5.278 50 0 JKAARO Cc1ccc(C[NH+]2CCC(O)(c3ccc4oc(C(=O)Nc5ccc(Cl)cc5)cc4c3)CC2)o1 ZINC000014879450 524440815 /nfs/dbraw/zinc/44/08/15/524440815.db2.gz XGEBHGRUCIXQPP-UHFFFAOYSA-N 1 0 464.949 5.724 50 0 JKAARO Cc1ccc(C[NH+]2CCC(c3nnc(SCc4ccc(F)cc4)n3Cc3ccccc3)CC2)o1 ZINC000012509075 524442035 /nfs/dbraw/zinc/44/20/35/524442035.db2.gz LMXKNNOHIZOCMR-UHFFFAOYSA-N 1 0 476.621 6.039 50 0 JKAARO COc1ccccc1C[N@@H+](Cc1ccc(C(O)(c2ccccc2)c2ccccc2)o1)CC(C)C ZINC000036167817 524443794 /nfs/dbraw/zinc/44/37/94/524443794.db2.gz JULXAFFNKHGKQO-UHFFFAOYSA-N 1 0 455.598 6.231 50 0 JKAARO COc1ccccc1C[NH+]1CCC([C@@H](Cc2ccccc2Cl)N(C)C(=O)c2ccco2)CC1 ZINC000014990828 524448449 /nfs/dbraw/zinc/44/84/49/524448449.db2.gz AIBQAKRQKMMPLH-XMMPIXPASA-N 1 0 467.009 5.537 50 0 JKAARO COc1ccccc1CNC(=O)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000046055950 524459863 /nfs/dbraw/zinc/45/98/63/524459863.db2.gz YLYRFFCWIMIMDS-UHFFFAOYSA-N 1 0 485.603 5.366 50 0 JKAARO Cc1ccc(CN2CCSc3ccc(C(=O)Nc4ccc(C[NH+]5CCC(C)CC5)cc4)cc32)cc1 ZINC000009962613 524467414 /nfs/dbraw/zinc/46/74/14/524467414.db2.gz QHHHBYPHWMMEFJ-UHFFFAOYSA-N 1 0 485.697 6.592 50 0 JKAARO COc1ccccc1CNC(=O)[C@@H]1C[C@H](Sc2nc3ccccc3[nH]2)C[N@@H+]1CC1CCCCC1 ZINC000014981985 524474185 /nfs/dbraw/zinc/47/41/85/524474185.db2.gz SQOOSHASQLJBCX-URXFXBBRSA-N 1 0 478.662 5.003 50 0 JKAARO Cc1ccc(C[N@H+]2C[C@@H](c3ccccc3C)[C@@H](CN(C(=O)c3ccc(F)cc3)C3CCCCC3)C2)cc1 ZINC000034698812 524482817 /nfs/dbraw/zinc/48/28/17/524482817.db2.gz TWIKVPKHKQVTAE-AKGWNBJDSA-N 1 0 498.686 7.133 50 0 JKAARO Cc1cccc(Cn2c(C[NH+]3CCC(C(=O)NCc4ccccc4Cl)CC3)cc3ccccc32)c1 ZINC000008602154 524490275 /nfs/dbraw/zinc/49/02/75/524490275.db2.gz PWVOEHFDYCTTSQ-UHFFFAOYSA-N 1 0 486.059 6.180 50 0 aggregator JKAARO Cc1cccc(Cn2c(C[NH+]3CCC(C(=O)NCc4ccc(F)cc4)CC3)cc3ccccc32)c1 ZINC000046055887 524490449 /nfs/dbraw/zinc/49/04/49/524490449.db2.gz PYNUYEVVBKSGBV-UHFFFAOYSA-N 1 0 469.604 5.666 50 0 JKAARO Cc1cccc(Cn2c(C[NH+]3CCC(C(=O)NCc4ccc(Cl)cc4)CC3)cc3ccccc32)c1 ZINC000046055864 524490472 /nfs/dbraw/zinc/49/04/72/524490472.db2.gz JWAWBABXNQQMCY-UHFFFAOYSA-N 1 0 486.059 6.180 50 0 JKAARO Cc1cccc(Cn2c(C[NH+]3CCC(C(=O)NCc4cccc(Cl)c4)CC3)cc3ccccc32)c1 ZINC000046055860 524490494 /nfs/dbraw/zinc/49/04/94/524490494.db2.gz OUBWOPZUEFAGEF-UHFFFAOYSA-N 1 0 486.059 6.180 50 0 JKAARO Cc1cccc(Cn2c(C[NH+]3CCC(C(=O)NCc4ccccc4F)CC3)cc3ccccc32)c1 ZINC000046055908 524491022 /nfs/dbraw/zinc/49/10/22/524491022.db2.gz DSQXXCOEXNUEFY-UHFFFAOYSA-N 1 0 469.604 5.666 50 0 JKAARO Cc1cccc(Cn2c(C[NH+]3CCC(C(=O)N[C@H](C)c4ccccc4)CC3)cc3ccccc32)c1 ZINC000046055879 524491459 /nfs/dbraw/zinc/49/14/59/524491459.db2.gz RNGYQLLXBUOXBT-XMMPIXPASA-N 1 0 465.641 6.087 50 0 JKAARO COc1ccccc1N1CC[NH+](CC[C@H](Oc2ccc(C(C)C)c(C)c2)c2cccc(F)c2)CC1 ZINC000034740110 524555108 /nfs/dbraw/zinc/55/51/08/524555108.db2.gz OHLHCSQREBOETC-LJAQVGFWSA-N 1 0 476.636 6.599 50 0 JKAARO Cc1cccc(NC(=O)C2CC[NH+](Cc3cc4ccccc4n3Cc3ccccc3Cl)CC2)c1 ZINC000046055740 524582030 /nfs/dbraw/zinc/58/20/30/524582030.db2.gz YLBIPIRLICSESC-UHFFFAOYSA-N 1 0 472.032 6.502 50 0 JKAARO Cc1cccc(NC(=O)C2CC[NH+](Cc3cc4ccccc4n3Cc3cccc(Cl)c3)CC2)c1C ZINC000046055595 524582504 /nfs/dbraw/zinc/58/25/04/524582504.db2.gz KEUYGYJVDHHZNB-UHFFFAOYSA-N 1 0 486.059 6.811 50 0 JKAARO Cc1cccc(NC(=O)Cn2cc(-c3nnc(C[NH+]4CCC(C)CC4)o3)c3ccccc32)c1C ZINC000033278795 524608403 /nfs/dbraw/zinc/60/84/03/524608403.db2.gz UYVIIBMNTIHVTK-UHFFFAOYSA-N 1 0 457.578 5.179 50 0 JKAARO C[C@@H](CN1CC[NH+](Cc2ccccc2)CC1)N(C(=O)c1ccc(C(C)(C)C)cc1)c1ccccn1 ZINC000020432304 524620356 /nfs/dbraw/zinc/62/03/56/524620356.db2.gz JRVKSHNFZRPZNR-DEOSSOPVSA-N 1 0 470.661 5.232 50 0 JKAARO COc1ccc(NC(=O)c2cc3cc(C4(O)CC[NH+](Cc5cccs5)CC4)ccc3o2)cc1OC ZINC000014983912 524629717 /nfs/dbraw/zinc/62/97/17/524629717.db2.gz MEYXPJFRHKVIGO-UHFFFAOYSA-N 1 0 492.597 5.247 50 0 JKAARO COc1ccc(NC(=S)N(CCC[NH+]2CCC(C)CC2)Cc2cccs2)cc1Cl ZINC000013573441 524663574 /nfs/dbraw/zinc/66/35/74/524663574.db2.gz RWYJVSJPESENBE-UHFFFAOYSA-N 1 0 452.089 5.731 50 0 JKAARO COc1ccccc1Oc1c(C[N@H+](C[C@H](O)Cc2ccccc2)C(C)C)c(C)nn1-c1ccccc1 ZINC000036302004 524694348 /nfs/dbraw/zinc/69/43/48/524694348.db2.gz MHRMMUXLUGHKAV-AREMUKBSSA-N 1 0 485.628 5.796 50 0 JKAARO COc1ccccc1Oc1c(C[N@H+](C[C@H](O)COC(C)(C)C)CC2CC2)c(C)nn1-c1ccccc1 ZINC000036302299 524694635 /nfs/dbraw/zinc/69/46/35/524694635.db2.gz NYXDIEGQSCLNIJ-DEOSSOPVSA-N 1 0 493.648 5.370 50 0 JKAARO COc1ccccc1Oc1c(C[N@H+](C[C@H](O)c2ccccc2)C(C)C)c(C)nn1-c1ccccc1 ZINC000036301975 524694806 /nfs/dbraw/zinc/69/48/06/524694806.db2.gz YTAMFKAWJFOYOX-SANMLTNESA-N 1 0 471.601 5.926 50 0 JKAARO COc1ccccc1Oc1c(C[N@H+](C[C@@H](O)c2ccccc2)C(C)C)c(C)nn1-c1ccccc1 ZINC000036301979 524695978 /nfs/dbraw/zinc/69/59/78/524695978.db2.gz YTAMFKAWJFOYOX-AREMUKBSSA-N 1 0 471.601 5.926 50 0 JKAARO COc1ccc(Nc2cc(C(=O)NCCC[N@H+](C)C3CCCCC3)c3ccccc3n2)c(OC)c1 ZINC000008595335 524714251 /nfs/dbraw/zinc/71/42/51/524714251.db2.gz SASASNHHBSXROE-UHFFFAOYSA-N 1 0 476.621 5.380 50 0 JKAARO C[C@@H]1CCc2sc3nc(N4CC[NH+](C(c5ccccc5)c5ccccc5)CC4)n4ncnc4c3c2C1 ZINC000020478601 524734220 /nfs/dbraw/zinc/73/42/20/524734220.db2.gz CASPWZFPOVHQKI-HXUWFJFHSA-N 1 0 494.668 5.375 50 0 JKAARO COc1ccccc1[C@@H]1C[N@H+](Cc2ccc(C)o2)C[C@H]1CN(Cc1ccccc1)C(=O)C(C)C ZINC000034699229 524761392 /nfs/dbraw/zinc/76/13/92/524761392.db2.gz UUULAZICRIRMQA-RPLLCQBOSA-N 1 0 460.618 5.497 50 0 JKAARO Cc1cccc(OCc2nc(CN(CC[NH+]3CCCC3)C(=O)c3ccccc3C)cs2)c1C ZINC000036107121 524768058 /nfs/dbraw/zinc/76/80/58/524768058.db2.gz ONJJBNVRWIBZPK-UHFFFAOYSA-N 1 0 463.647 5.386 50 0 JKAARO Cc1ccc(Cn2cnc3sc4c(c3c2=O)CC[C@H]([NH2+]Cc2nc(-c3ccccc3)cs2)C4)cc1 ZINC000014979787 524775360 /nfs/dbraw/zinc/77/53/60/524775360.db2.gz WEPYHDFBQNLJKB-NRFANRHFSA-N 1 0 498.677 5.585 50 0 JKAARO Cc1cccc(Oc2c(C[N@H+](C[C@H](O)COC(C)C)CC3CC3)c(-c3ccccc3)nn2C)c1 ZINC000036306549 524784816 /nfs/dbraw/zinc/78/48/16/524784816.db2.gz BVCAIEBBWDWKGC-DEOSSOPVSA-N 1 0 463.622 5.186 50 0 JKAARO COc1ccc(OC)c(C[NH+]2CCC([C@@H](Cc3ccccc3F)N(C)C(=O)c3cccs3)CC2)c1 ZINC000012332260 524824983 /nfs/dbraw/zinc/82/49/83/524824983.db2.gz MOENAUCYFYCYRL-RUZDIDTESA-N 1 0 496.648 5.500 50 0 JKAARO Cc1ccc(N(C2CC[NH+](Cc3ccccc3)CC2)S(=O)(=O)c2ccc(F)cc2)cc1F ZINC000037560264 524890623 /nfs/dbraw/zinc/89/06/23/524890623.db2.gz IRNHCWWDWLUBAW-UHFFFAOYSA-N 1 0 456.558 5.133 50 0 JKAARO C[C@H](NC(=O)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000046055509 524911407 /nfs/dbraw/zinc/91/14/07/524911407.db2.gz REELBSYLGLVCET-QFIPXVFZSA-N 1 0 486.059 6.432 50 0 JKAARO C[C@H](NC(=O)C1CC[NH+](Cc2cc3ccccc3n2Cc2cccc(F)c2)CC1)c1ccccc1 ZINC000046056021 524911482 /nfs/dbraw/zinc/91/14/82/524911482.db2.gz KXCFZAXPYMZRAN-QFIPXVFZSA-N 1 0 469.604 5.918 50 0 JKAARO C[C@@H](Cc1ccco1)NC(=O)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1 ZINC000046055544 524926715 /nfs/dbraw/zinc/92/67/15/524926715.db2.gz IRPRLFQCNUULBM-NRFANRHFSA-N 1 0 490.047 5.895 50 0 JKAARO Cc1ccc(N2CC[NH+](Cc3ccc(C(=O)NCc4cccc(C(F)(F)F)c4)cc3)CC2)cc1C ZINC000034668104 524964147 /nfs/dbraw/zinc/96/41/47/524964147.db2.gz PMUONJNNKONMSL-UHFFFAOYSA-N 1 0 481.562 5.574 50 0 JKAARO COc1ccc(Oc2c(C[N@H+](CC(C)C)C[C@H](O)COC(C)C)c(-c3ccccc3)nn2C)cc1 ZINC000036305934 524989160 /nfs/dbraw/zinc/98/91/60/524989160.db2.gz CFBPMXBHXIQEGH-QHCPKHFHSA-N 1 0 481.637 5.132 50 0 JKAARO COc1ccc(Oc2c(C[N@H+](C[C@@H](O)Cc3ccccc3)C3CC3)c(-c3ccccc3)nn2C)cc1 ZINC000036306193 524989492 /nfs/dbraw/zinc/98/94/92/524989492.db2.gz YTBDWURRJLQOON-VWLOTQADSA-N 1 0 483.612 5.456 50 0 JKAARO COc1ccc(Oc2c(C[N@H+](C[C@@H](O)COC(C)(C)C)C3CC3)c(-c3ccccc3)nn2C)cc1 ZINC000036306208 524990722 /nfs/dbraw/zinc/99/07/22/524990722.db2.gz LMSYBODRIUOUGW-JOCHJYFZSA-N 1 0 479.621 5.028 50 0 JKAARO COc1ccc(Oc2c(C[N@H+](CC(C)C)C[C@H](O)Cc3ccccc3)c(C)nn2-c2ccccc2)cc1 ZINC000036302362 524990812 /nfs/dbraw/zinc/99/08/12/524990812.db2.gz BGAWGACCBAHLLR-HHHXNRCGSA-N 1 0 499.655 6.043 50 0 JKAARO COc1ccc(Oc2c(C[N@H+](C[C@H](O)COCC(C)C)CC3CC3)c(C)nn2-c2ccccc2)cc1 ZINC000036304626 524991775 /nfs/dbraw/zinc/99/17/75/524991775.db2.gz XDMNCMKWAXGPSS-VWLOTQADSA-N 1 0 493.648 5.227 50 0 JKAARO Cc1ccccc1-c1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC(=O)N3Cc3ccc4c(c3)OCO4)C2)cc1 ZINC000014991134 525003915 /nfs/dbraw/zinc/00/39/15/525003915.db2.gz QTALKHBHOASAKK-VPUSJEBWSA-N 1 0 468.597 5.404 50 0 JKAARO Cc1ccccc1-c1cnc(Oc2ccc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc2)nc1 ZINC000033139252 525006714 /nfs/dbraw/zinc/00/67/14/525006714.db2.gz LPVFGUUTDPJPTH-UHFFFAOYSA-N 1 0 478.596 5.639 50 0 JKAARO Cc1ccc(NC(=O)C2CC[NH+](Cc3cc4ccccc4n3Cc3cccc(Cl)c3)CC2)cc1F ZINC000046055637 525027022 /nfs/dbraw/zinc/02/70/22/525027022.db2.gz XLGWJSHIHYTMPQ-UHFFFAOYSA-N 1 0 490.022 6.641 50 0 JKAARO C[C@@H](NC(=O)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccc(F)cc2)CC1)c1ccccc1 ZINC000046055944 525069572 /nfs/dbraw/zinc/06/95/72/525069572.db2.gz STHOXZPFXKVMDO-JOCHJYFZSA-N 1 0 469.604 5.918 50 0 JKAARO Cc1ccc(NC(=O)Cn2cc(-c3nnc(C[NH+]4CCC(C)CC4)o3)c3ccccc32)cc1F ZINC000033129385 525103955 /nfs/dbraw/zinc/10/39/55/525103955.db2.gz ARDXLUIWUGLVRB-UHFFFAOYSA-N 1 0 461.541 5.009 50 0 JKAARO Cc1ccccc1CNC(=O)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccccc2Cl)CC1 ZINC000046055756 525148662 /nfs/dbraw/zinc/14/86/62/525148662.db2.gz JFVJUJIAWUSRPT-UHFFFAOYSA-N 1 0 486.059 6.180 50 0 JKAARO COc1ccc([C@@H](NC(=O)C[NH2+][C@@H](C)c2ccc(Br)cc2)c2ccccc2)cc1 ZINC000014095124 525196007 /nfs/dbraw/zinc/19/60/07/525196007.db2.gz TWYOVEKATKSKIA-XDHUDOTRSA-N 1 0 453.380 5.014 50 0 JKAARO Cc1ccccc1Cn1c(C[NH+]2CCC(C(=O)NCc3ccc(Cl)cc3)CC2)cc2ccccc21 ZINC000008602124 525208746 /nfs/dbraw/zinc/20/87/46/525208746.db2.gz OLTZJEJFWNUYBA-UHFFFAOYSA-N 1 0 486.059 6.180 50 0 aggregator JKAARO Cc1ccccc1Cn1c(C[NH+]2CCC(C(=O)NC[C@@H](C)c3ccccc3)CC2)cc2ccccc21 ZINC000046055810 525209125 /nfs/dbraw/zinc/20/91/25/525209125.db2.gz SYYGZKOGYUJVPU-RUZDIDTESA-N 1 0 479.668 6.130 50 0 JKAARO Cc1ccccc1Cn1c(C[NH+]2CCC(C(=O)NCCc3ccccc3)CC2)cc2ccccc21 ZINC000008602144 525210032 /nfs/dbraw/zinc/21/00/32/525210032.db2.gz UDDWERKZNUSLMC-UHFFFAOYSA-N 1 0 465.641 5.569 50 0 JKAARO Cc1ccccc1OC[C@H](O)C[N@@H+](Cc1ccccc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146532 525312601 /nfs/dbraw/zinc/31/26/01/525312601.db2.gz QJBASNOVBDTTFL-RPBOFIJWSA-N 1 0 464.993 5.084 50 0 JKAARO Cc1[nH]c2ccc(NC(=O)c3ccccc3Cl)cc2c1[C@@H](c1ccccn1)[NH+]1CCCCC1 ZINC000021659655 525431295 /nfs/dbraw/zinc/43/12/95/525431295.db2.gz NJUFYZDCKJIQRY-AREMUKBSSA-N 1 0 458.993 6.352 50 0 JKAARO Cc1cc2c(-c3ccccc3)c(-c3ccccc3)n(C[C@@H](O)C[NH+]3CCC(C)CC3)c2c(C)c1 ZINC000002083420 525584819 /nfs/dbraw/zinc/58/48/19/525584819.db2.gz QFSLIMOTNGQKJL-MHZLTWQESA-N 1 0 452.642 6.685 50 0 JKAARO Cc1cc2c(-c3ccccc3)c(-c3ccccc3)n(C[C@@H](O)C[NH2+][C@@H](C)c3ccccc3)c2c(C)c1 ZINC000028296678 525585344 /nfs/dbraw/zinc/58/53/44/525585344.db2.gz AADVVCGTHFIIKX-SVEHJYQDSA-N 1 0 474.648 7.304 50 0 JKAARO COc1ccc2cc([C@H](C)[NH2+]C3CCN(c4ccc(C(=O)NCc5cccnc5)cc4)CC3)ccc2c1 ZINC000014982229 525641073 /nfs/dbraw/zinc/64/10/73/525641073.db2.gz BURWPJWYERAGJB-QFIPXVFZSA-N 1 0 494.639 5.493 50 0 JKAARO Cc1ccc(-c2cc(Nc3ccc(C(=O)NC4CC[NH+](Cc5ccccc5)CC4)cc3)ncn2)cc1 ZINC000033261256 525737227 /nfs/dbraw/zinc/73/72/27/525737227.db2.gz WOENVGJDJXANQQ-UHFFFAOYSA-N 1 0 477.612 5.590 50 0 JKAARO Cc1ccc(-c2cc3c(c(OC[C@@H]4CCC[N@@H+](C)C4)c2)OCCN(Cc2ccccn2)C3)s1 ZINC000014879910 525740756 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LITXWRAVGXORIW-CLJLJLNGSA-N 1 0 461.675 5.660 50 0 JKAARO COc1cccc(C[N@H+](C[C@H](O)COc2ccccc2C)C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)c1 ZINC000036146709 525924058 /nfs/dbraw/zinc/92/40/58/525924058.db2.gz JNOZFAKXYZWQKI-AHWVRZQESA-N 1 0 495.019 5.092 50 0 JKAARO COc1cccc(C[NH+]2CCC(c3nnc(SCc4ccc(F)cc4)n3C[C@@H]3CCCO3)CC2)c1 ZINC000014879876 525935232 /nfs/dbraw/zinc/93/52/32/525935232.db2.gz ICICSMCXBVNPGM-VWLOTQADSA-N 1 0 496.652 5.277 50 0 JKAARO COc1cccc(C[NH+]2CCC([C@H](Cc3ccccc3Cl)N(C)C(=O)c3ccco3)CC2)c1OC ZINC000014883395 525935261 /nfs/dbraw/zinc/93/52/61/525935261.db2.gz MLALZSAYWTUIIJ-DEOSSOPVSA-N 1 0 497.035 5.546 50 0 JKAARO COc1cccc(CNC(=O)C2CC[NH+](Cc3cc4ccccc4n3Cc3ccccc3)CC2)c1 ZINC000046055453 525963814 /nfs/dbraw/zinc/96/38/14/525963814.db2.gz ADRAYFGWPSMYLF-UHFFFAOYSA-N 1 0 467.613 5.227 50 0 JKAARO COc1cccc(CNC(=O)C2CC[NH+](Cc3cc4ccccc4n3Cc3ccc(F)cc3)CC2)c1 ZINC000046055952 525963884 /nfs/dbraw/zinc/96/38/84/525963884.db2.gz DPAGYYUUULFYRP-UHFFFAOYSA-N 1 0 485.603 5.366 50 0 JKAARO COc1cccc(CNC(=O)C2CC[NH+](Cc3cc4ccccc4n3Cc3ccccc3)CC2)c1OC ZINC000008602092 525964389 /nfs/dbraw/zinc/96/43/89/525964389.db2.gz RGTWOERSLLLEFH-UHFFFAOYSA-N 1 0 497.639 5.235 50 0 JKAARO COc1cccc(C[C@@H](C2CC[NH+](CC[C@@H](C)c3ccccc3)CC2)N(C)C(=O)c2ccccn2)c1 ZINC000014882341 526072677 /nfs/dbraw/zinc/07/26/77/526072677.db2.gz ADYRIJXXZTVRRX-HLADLETHSA-N 1 0 485.672 5.679 50 0 JKAARO COc1cccc(C[C@H](C2CC[NH+](Cc3c[nH]nc3-c3ccccc3)CC2)N(C)C(=O)c2ccco2)c1 ZINC000012338110 526076144 /nfs/dbraw/zinc/07/61/44/526076144.db2.gz UERXBCJOJBOZGC-HHHXNRCGSA-N 1 0 498.627 5.274 50 0 JKAARO COc1cccc(C[C@H](C2CC[NH+](CC[C@H](C)c3ccccc3)CC2)N(C)C(=O)c2ccccn2)c1 ZINC000014882344 526076779 /nfs/dbraw/zinc/07/67/79/526076779.db2.gz ADYRIJXXZTVRRX-QABMSTFYSA-N 1 0 485.672 5.679 50 0 JKAARO COc1cccc(C[C@H](C2CC[NH+](Cc3cccn3-c3ccccn3)CC2)N(C)C(=O)c2ccco2)c1 ZINC000014996875 526079562 /nfs/dbraw/zinc/07/95/62/526079562.db2.gz UWCRHDCWGYPDJG-HHHXNRCGSA-N 1 0 498.627 5.069 50 0 JKAARO Cc1ccc(C(=O)N2CCC[C@@H](COc3ccc(C[N@H+](C)CCc4ccccc4)cc3)C2)s1 ZINC000014961670 526098368 /nfs/dbraw/zinc/09/83/68/526098368.db2.gz HGBFLLPSTRVPHL-RUZDIDTESA-N 1 0 462.659 5.662 50 0 JKAARO Cc1ccc(C(=O)N2CCC[C@H](COc3ccc(C[N@@H+](C)Cc4cccc5ccccc54)cc3)C2)s1 ZINC000014887131 526104245 /nfs/dbraw/zinc/10/42/45/526104245.db2.gz ACUMFZPYHFQWAP-VWLOTQADSA-N 1 0 498.692 6.773 50 0 JKAARO CSc1ccccc1CN(C)N1c2ccccc2[C@@](CC[NH+]2CCCCC2)(c2ccccc2)C1=O ZINC000071767380 526156707 /nfs/dbraw/zinc/15/67/07/526156707.db2.gz BMRCSXAOYRSVAR-SSEXGKCCSA-N 1 0 485.697 5.964 50 0 JKAARO CSc1nc2c(sc3nc(C(C)C)c4c(c32)CC(C)(C)OC4)c(NCCC[NH+](C)C)n1 ZINC000002359472 526215968 /nfs/dbraw/zinc/21/59/68/526215968.db2.gz UKABJPFFPXOIGN-UHFFFAOYSA-N 1 0 459.685 5.300 50 0 JKAARO COc1cccc(Oc2c(C[N@H+](C[C@H](O)Cc3ccccc3)CC3CC3)c(-c3ccccc3)nn2C)c1 ZINC000036305627 526240752 /nfs/dbraw/zinc/24/07/52/526240752.db2.gz BWKRDRZPYLPCGZ-AREMUKBSSA-N 1 0 497.639 5.704 50 0 JKAARO COc1cccc(Oc2c(C[N@H+](C[C@@H](O)COCC(C)C)CC3CC3)c(-c3ccccc3)nn2C)c1 ZINC000036305633 526240937 /nfs/dbraw/zinc/24/09/37/526240937.db2.gz QJOOTTQPXHDEIX-XMMPIXPASA-N 1 0 493.648 5.134 50 0 JKAARO COc1cccc(Oc2c(C[N@H+](CC(C)C)C[C@H](O)Cc3ccccc3)c(-c3ccccc3)nn2C)c1 ZINC000036305273 526241613 /nfs/dbraw/zinc/24/16/13/526241613.db2.gz AMUDZKWWLLAAPA-AREMUKBSSA-N 1 0 499.655 5.950 50 0 JKAARO COc1cccc(Oc2c(C[N@H+](C[C@H](O)COCC(C)C)CC3CC3)c(-c3ccccc3)nn2C)c1 ZINC000036305636 526241747 /nfs/dbraw/zinc/24/17/47/526241747.db2.gz QJOOTTQPXHDEIX-DEOSSOPVSA-N 1 0 493.648 5.134 50 0 JKAARO COc1cccc(S(=O)(=O)Nc2ccc(Nc3cc(NC4CCCCC4)nc(C)[nH+]3)cc2)c1 ZINC000033326932 526244133 /nfs/dbraw/zinc/24/41/33/526244133.db2.gz YDYCAGKFFYZLNT-UHFFFAOYSA-N 1 0 467.595 5.083 50 0 JKAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(Oc2nccnc2Sc2ccc(Cl)cc2)cc1 ZINC000033139910 526248184 /nfs/dbraw/zinc/24/81/84/526248184.db2.gz BWCGOULDHLYOEY-IBGZPJMESA-N 1 0 497.064 6.068 50 0 JKAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(Cn2c(SCc3ccccc3)nc3cccnc32)cc1 ZINC000008610062 526250633 /nfs/dbraw/zinc/25/06/33/526250633.db2.gz XASYKHYTUOQSOI-QFIPXVFZSA-N 1 0 499.684 5.376 50 0 JKAARO Cc1ccc(C)c(-c2csc3[nH]c(C[N@H+](CC(C)C)C[C@H](O)Cc4ccccc4)nc(=O)c23)c1 ZINC000036206493 526256625 /nfs/dbraw/zinc/25/66/25/526256625.db2.gz SDQAFDJZLRZEAK-JOCHJYFZSA-N 1 0 475.658 5.330 50 0 JKAARO Cc1cc(C(=O)NCCCN2CCC([NH+]3CCCCC3)CC2)c2cccc(-c3ccccc3)c2n1 ZINC000033036719 526266275 /nfs/dbraw/zinc/26/62/75/526266275.db2.gz UXYHFZPLWAZIGC-UHFFFAOYSA-N 1 0 470.661 5.280 50 0 JKAARO O[C@H](C[NH2+]CCc1ccccc1)Cn1c(-c2ccccc2)c(-c2ccccc2)c2ccc3ccccc3c21 ZINC000002083345 526275894 /nfs/dbraw/zinc/27/58/94/526275894.db2.gz LCZAKHYINOYIQQ-SSEXGKCCSA-N 1 0 496.654 7.322 50 0 JKAARO O=C(NCC[NH+]1CCCCCC1)c1cccc([C@@H]2CCCN(C(=O)Nc3ccc(Cl)cc3)C2)c1 ZINC000033035475 526309923 /nfs/dbraw/zinc/30/99/23/526309923.db2.gz KKVJMOFBVGGGFG-HSZRJFAPSA-N 1 0 483.056 5.357 50 0 JKAARO Fc1ccc(C[NH+]2CCC(c3nnc(SC[C@H]4CCCO4)n3Cc3ccccc3)CC2)cc1F ZINC000014996539 526331868 /nfs/dbraw/zinc/33/18/68/526331868.db2.gz LDAGUYJICRECJB-JOCHJYFZSA-N 1 0 484.616 5.255 50 0 JKAARO O=C(NCCSCc1c(F)cccc1Cl)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000016524821 526372326 /nfs/dbraw/zinc/37/23/26/526372326.db2.gz XODUCRQWGPLENZ-UHFFFAOYSA-N 1 0 469.025 5.701 50 0 JKAARO c1c2ccccc2n(CCC[NH+]2CCN(C(c3ccccc3)c3ccccc3)CC2)c1-c1ccccc1 ZINC000022454850 526401168 /nfs/dbraw/zinc/40/11/68/526401168.db2.gz MRPSPSPDANQOPE-UHFFFAOYSA-N 1 0 485.675 7.106 50 0 JKAARO O=C(OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2n1 ZINC000012374698 526421097 /nfs/dbraw/zinc/42/10/97/526421097.db2.gz PMRMMWVUQKTXJX-OXJNMPFZSA-N 1 0 492.929 5.490 50 0 JKAARO c1cc(C[NH+]2CCC(c3nnc(SC[C@H]4CCCO4)n3Cc3ccccc3)CC2)cs1 ZINC000014955044 526421983 /nfs/dbraw/zinc/42/19/83/526421983.db2.gz WJOTZGNXLWQSJO-JOCHJYFZSA-N 1 0 454.665 5.039 50 0 JKAARO O=C(NCCc1ccccc1F)c1cc2cc(C3(O)CC[NH+](Cc4ccccc4)CC3)ccc2o1 ZINC000012217569 526430617 /nfs/dbraw/zinc/43/06/17/526430617.db2.gz JUXUEZLVJQRZCM-UHFFFAOYSA-N 1 0 472.560 5.028 50 0 JKAARO O=C(CCCc1ccccc1)Nc1cccc(N2CCC([NH2+]CCCn3nnc4ccccc43)CC2)c1 ZINC000014990472 526459275 /nfs/dbraw/zinc/45/92/75/526459275.db2.gz YETNKSSUGKLYGL-UHFFFAOYSA-N 1 0 496.659 5.041 50 0 JKAARO O=C(CC[NH+]1CCC(Cc2ccccc2)CC1)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000008919686 526482106 /nfs/dbraw/zinc/48/21/06/526482106.db2.gz NFMNNYSKOYNTOP-SANMLTNESA-N 1 0 476.020 5.956 50 0 JKAARO c1nc2c3c4c(sc3nc(N3CC[NH+](C(c5ccccc5)c5ccccc5)CC3)n2n1)CCCC4 ZINC000020478349 526607725 /nfs/dbraw/zinc/60/77/25/526607725.db2.gz SVBXICSUJKMUTG-UHFFFAOYSA-N 1 0 480.641 5.129 50 0 JKAARO Cc1nc(C(=O)N(CC[NH+](C)C)Cc2cc3cccc(C)c3nc2-c2cccc(C)c2)cs1 ZINC000012510946 526636362 /nfs/dbraw/zinc/63/63/62/526636362.db2.gz XSCTXFCZYUKTPQ-UHFFFAOYSA-N 1 0 458.631 5.488 50 0 JKAARO O=C(c1ccc(-c2ccc(Cl)cc2)o1)N(Cc1ccccn1)c1ccc(N2CC[NH2+]CC2)cc1 ZINC000082158411 526651093 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IQWABADJDZIGGB-FQEVSTJZSA-N 1 0 472.416 5.528 50 0 JKAARO O=C(NCc1ccccc1)C1CC[NH+](Cc2cc3ccccc3n2Cc2cccc(Cl)c2)CC1 ZINC000046055576 526732614 /nfs/dbraw/zinc/73/26/14/526732614.db2.gz LXJUUFYZONFCRK-UHFFFAOYSA-N 1 0 472.032 5.871 50 0 JKAARO Cc1oc(-c2cccc(Cl)c2)nc1C[N@@H+]1CCC[C@@H](C(=O)NCCc2ccc(Cl)cc2)C1 ZINC000008597873 526734362 /nfs/dbraw/zinc/73/43/62/526734362.db2.gz ZIAFGYBZWPNGAA-HXUWFJFHSA-N 1 0 472.416 5.528 50 0 JKAARO O=C(NCc1ccccc1F)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000046055968 526749443 /nfs/dbraw/zinc/74/94/43/526749443.db2.gz RJRLBOMAPSAPGO-UHFFFAOYSA-N 1 0 473.567 5.496 50 0 JKAARO O=C(NCc1cccnc1)C1CC[NH+](Cc2cc3ccccc3n2Cc2cccc(Cl)c2)CC1 ZINC000008602114 526766607 /nfs/dbraw/zinc/76/66/07/526766607.db2.gz CQLINIZEHSEVPB-UHFFFAOYSA-N 1 0 473.020 5.266 50 0 JKAARO O=C(NCc1ccco1)C1CC[NH+](Cc2cc3ccccc3n2Cc2cccc(Cl)c2)CC1 ZINC000046055600 526774378 /nfs/dbraw/zinc/77/43/78/526774378.db2.gz QYXMIJDDUSQBHJ-UHFFFAOYSA-N 1 0 461.993 5.464 50 0 JKAARO Cc1occc1C(=O)N(C)[C@@H](Cc1ccccc1F)C1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000012217250 526801530 /nfs/dbraw/zinc/80/15/30/526801530.db2.gz GBCQDVSNQAXATL-MHZLTWQESA-N 1 0 476.592 5.258 50 0 JKAARO Cc1occc1C(=O)N(C)[C@H](Cc1ccccc1F)C1CC[NH+](Cc2ccc3cccnc3c2)CC1 ZINC000014994038 526802684 /nfs/dbraw/zinc/80/26/84/526802684.db2.gz XYCLICWXSZUOTR-GDLZYMKVSA-N 1 0 485.603 5.871 50 0 JKAARO Cc1occc1C(=O)N(C)[C@H](Cc1ccccc1F)C1CC[NH+](Cc2ccc3ncccc3c2)CC1 ZINC000014997180 526803059 /nfs/dbraw/zinc/80/30/59/526803059.db2.gz OYIQIBDTTASWNN-GDLZYMKVSA-N 1 0 485.603 5.871 50 0 JKAARO O=C(c1cccnc1)N1CCC[C@H](COc2cccc(C[NH+]3CCC(Cc4ccccc4)CC3)c2)C1 ZINC000014954537 526818483 /nfs/dbraw/zinc/81/84/83/526818483.db2.gz SFDRGJUCFVUNKN-NDEPHWFRSA-N 1 0 483.656 5.468 50 0 JKAARO O=C(NCc1nc2ccccc2s1)c1cc2cc(C3(O)CC[NH+](Cc4ccccc4)CC3)ccc2o1 ZINC000012218816 526825163 /nfs/dbraw/zinc/82/51/63/526825163.db2.gz SGFHUUCAANASJW-UHFFFAOYSA-N 1 0 497.620 5.456 50 0 JKAARO O=C(c1cccs1)N1CCC[C@H](COc2ccc(C[NH+]3CCC(c4ccccc4)CC3)cc2)C1 ZINC000014990840 526835949 /nfs/dbraw/zinc/83/59/49/526835949.db2.gz MLJHIPJDIZQFCL-DEOSSOPVSA-N 1 0 474.670 6.059 50 0 JKAARO Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccccc1C[C@H]1c2ccccc2CC[N@H+]1C ZINC000020412871 526849667 /nfs/dbraw/zinc/84/96/67/526849667.db2.gz JPVSOUDEQMLKSN-VWLOTQADSA-N 1 0 471.988 6.327 50 0 JKAARO Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccccc1C[C@@H]1c2ccccc2CC[N@H+]1C ZINC000020412874 526850781 /nfs/dbraw/zinc/85/07/81/526850781.db2.gz JPVSOUDEQMLKSN-RUZDIDTESA-N 1 0 471.988 6.327 50 0 JKAARO Clc1ccccc1COc1ccc(Br)cc1C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000016450017 526989063 /nfs/dbraw/zinc/98/90/63/526989063.db2.gz OJDCQIFYRQCPAB-UHFFFAOYSA-N 1 0 460.755 5.700 50 0 JKAARO O=C1CC[C@@H]([NH+]2CCN(C(c3ccccc3)c3ccccc3)CC2)CCN1Cc1ccc(F)cc1F ZINC000020453530 526991833 /nfs/dbraw/zinc/99/18/33/526991833.db2.gz HDXLRFVHHUJCDD-HHHXNRCGSA-N 1 0 489.610 5.253 50 0 JKAARO Cc1nc(NC2CCCCC2)cc(Nc2ccc(NS(=O)(=O)c3cccc(F)c3)cc2)[nH+]1 ZINC000033326920 527005236 /nfs/dbraw/zinc/00/52/36/527005236.db2.gz CRVPRNKDYVALAK-UHFFFAOYSA-N 1 0 455.559 5.213 50 0 JKAARO O=C1C[C@H](N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000022780705 527027693 /nfs/dbraw/zinc/02/76/93/527027693.db2.gz UIQLJCSRNASJHE-DEOSSOPVSA-N 1 0 494.422 5.033 50 0 JKAARO O=C(CSc1ccc(C(F)(F)F)cn1)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000014897502 527033090 /nfs/dbraw/zinc/03/30/90/527033090.db2.gz VWADOJDPCMAQRB-UHFFFAOYSA-N 1 0 486.563 5.153 50 0 JKAARO Cc1nc([C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H]([NH2+]Cc2cccc(Cl)c2)C4)cs1 ZINC000020451077 527036789 /nfs/dbraw/zinc/03/67/89/527036789.db2.gz VUOOKPZGBNZKRE-DYVFJYSZSA-N 1 0 471.051 5.133 50 0 JKAARO O=C1N(Cc2ccccc2)C(=O)C2(CC[NH+](Cc3cc4ccccc4[nH]3)CC2)N1CCc1ccccc1 ZINC000014742293 527038210 /nfs/dbraw/zinc/03/82/10/527038210.db2.gz VSOXNDZRWSWNQI-UHFFFAOYSA-N 1 0 492.623 5.210 50 0 JKAARO Cc1nc([C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H]([NH2+]Cc2cccc(Cl)c2)C4)cs1 ZINC000020451079 527069260 /nfs/dbraw/zinc/06/92/60/527069260.db2.gz VUOOKPZGBNZKRE-SUMWQHHRSA-N 1 0 471.051 5.133 50 0 JKAARO O=C(Nc1ccc(Cl)cc1C(F)(F)F)[C@H]([NH2+]CC12CC3CC(CC(C3)C1)C2)c1ccccc1 ZINC000025393178 527182726 /nfs/dbraw/zinc/18/27/26/527182726.db2.gz URTMAINKZICZPE-IZKRSNETSA-N 1 0 476.970 6.845 50 0 JKAARO O=C(Nc1ccc(F)c(F)c1)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccccc2Cl)CC1 ZINC000046055732 527194298 /nfs/dbraw/zinc/19/42/98/527194298.db2.gz NHOJTYTVEAGSKG-UHFFFAOYSA-N 1 0 493.985 6.472 50 0 JKAARO O=C(Nc1ccc(F)c(F)c1)c1cc2cc(C3(O)CC[NH+](Cc4ccco4)CC3)ccc2o1 ZINC000014988927 527196118 /nfs/dbraw/zinc/19/61/18/527196118.db2.gz AEZOVHNUJLSKFQ-UHFFFAOYSA-N 1 0 452.457 5.040 50 0 JKAARO O=C(Nc1ccc(N2CCC([NH2+]CCn3ccc4ccccc43)CC2)cc1)c1ccccc1F ZINC000014997803 527221079 /nfs/dbraw/zinc/22/10/79/527221079.db2.gz JUIHLLHBSGQYIF-UHFFFAOYSA-N 1 0 456.565 5.291 50 0 JKAARO O=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[C@H](C(=O)N2CCCCC2)C[N@H+](Cc2ccc3ccccc3c2)C1 ZINC000014755049 527272344 /nfs/dbraw/zinc/27/23/44/527272344.db2.gz VGWAHSDAWZGYGT-WDYNHAJCSA-N 1 0 495.667 5.418 50 0 JKAARO O=C(Cc1csc(-c2ccco2)n1)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000026406887 527334270 /nfs/dbraw/zinc/33/42/70/527334270.db2.gz PANOELXKLATMMP-UHFFFAOYSA-N 1 0 457.599 5.525 50 0 JKAARO O=C(Cn1cccc1-c1nc(-c2ccccc2)cs1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000065114040 527383800 /nfs/dbraw/zinc/38/38/00/527383800.db2.gz SXMKPQHREPQQOH-UHFFFAOYSA-N 1 0 456.615 5.059 50 0 JKAARO O=C(Cn1cccc1-c1nc(-c2ccc(Cl)cc2)cs1)N1CC[NH+](C2CCCCC2)CC1 ZINC000021656849 527383864 /nfs/dbraw/zinc/38/38/64/527383864.db2.gz IDBNGNGVKXPULG-UHFFFAOYSA-N 1 0 469.054 5.409 50 0 JKAARO O=c1c2c3c(sc2ncn1CCc1c[nH]c2ccccc12)C[C@H]([NH2+]Cc1cccc(F)c1F)CC3 ZINC000020452432 527460098 /nfs/dbraw/zinc/46/00/98/527460098.db2.gz HUWOEWLDNSQYNO-GOSISDBHSA-N 1 0 490.579 5.107 50 0 JKAARO OC(C[NH+]1CCN(c2cccc(Cl)c2)CC1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000020365371 527503371 /nfs/dbraw/zinc/50/33/71/527503371.db2.gz GXQLQRBIINAQMB-UHFFFAOYSA-N 1 0 461.820 5.705 50 0 JKAARO OC(c1ccc(C[N@@H+](Cc2ccccc2)C[C@H]2CCCO2)o1)(c1cccc(F)c1)c1cccc(F)c1 ZINC000036157314 527504203 /nfs/dbraw/zinc/50/42/03/527504203.db2.gz DFQVGTWRFDWZLE-HHHXNRCGSA-N 1 0 489.562 6.023 50 0 JKAARO O=C(NC1CCCCC1)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccccc2Cl)CC1 ZINC000046055742 527512293 /nfs/dbraw/zinc/51/22/93/527512293.db2.gz ONRTVRNRDASOEL-UHFFFAOYSA-N 1 0 464.053 6.004 50 0 JKAARO O=C(NC1CCCCCC1)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccccc2Cl)CC1 ZINC000046055689 527517471 /nfs/dbraw/zinc/51/74/71/527517471.db2.gz YDQMJMMXECRHFS-UHFFFAOYSA-N 1 0 478.080 6.394 50 0 JKAARO O=C(Nc1ncc(C[NH+]2CCC(c3ccccc3)CC2)s1)C(c1ccccc1)c1ccccc1 ZINC000004398645 527519769 /nfs/dbraw/zinc/51/97/69/527519769.db2.gz FGEISIBKDLVZKG-UHFFFAOYSA-N 1 0 467.638 6.293 50 0 JKAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cccc(Oc2ccnc(-c3ccc(F)cc3)n2)c1 ZINC000033139118 527530841 /nfs/dbraw/zinc/53/08/41/527530841.db2.gz OUNVWJBTVMERDR-UHFFFAOYSA-N 1 0 482.559 5.469 50 0 JKAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cccc(Nc2cc(-c3cccc(F)c3)ncn2)c1 ZINC000033261070 527531293 /nfs/dbraw/zinc/53/12/93/527531293.db2.gz SKZVDWMNUKZRSE-UHFFFAOYSA-N 1 0 481.575 5.421 50 0 JKAARO Cn1nc(C(=O)NCCC[N@H+](Cc2ccco2)C2CCCC2)c2c1-c1cc(Cl)ccc1SC2 ZINC000064959634 527543623 /nfs/dbraw/zinc/54/36/23/527543623.db2.gz ANYPDCJXGNTLBR-UHFFFAOYSA-N 1 0 485.053 5.504 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2ccc(Cl)cc2)c1C[N@@H+](C[C@H](O)COC(C)C)C(C)C ZINC000036303689 527548649 /nfs/dbraw/zinc/54/86/49/527548649.db2.gz WNQNXUYTZIKYCS-QHCPKHFHSA-N 1 0 472.029 5.623 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1C[N@@H+](C[C@@H](O)c1ccccc1)C(C)C ZINC000036304087 527549490 /nfs/dbraw/zinc/54/94/90/527549490.db2.gz AJEJNEDOVVXEOK-AREMUKBSSA-N 1 0 477.555 6.195 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@H+](C[C@@H](O)COC(C)C)CC1CC1 ZINC000036346082 527549939 /nfs/dbraw/zinc/54/99/39/527549939.db2.gz OZLHQAKUVICDEF-HSZRJFAPSA-N 1 0 467.585 5.110 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@H+](C[C@H](O)COCC(C)C)CC1CC1 ZINC000036308661 527550419 /nfs/dbraw/zinc/55/04/19/527550419.db2.gz BILJLIQVKHDTIA-VWLOTQADSA-N 1 0 463.622 5.219 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1C[N@H+](C[C@@H](O)COC(C)C)CC1CC1 ZINC000036304889 527551000 /nfs/dbraw/zinc/55/10/00/527551000.db2.gz KSPFRPPEOQYYTK-RUZDIDTESA-N 1 0 463.622 5.279 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2ccccc2Cl)c1C[N@H+](C[C@@H](O)COC(C)C)CC1CC1 ZINC000036303582 527551112 /nfs/dbraw/zinc/55/11/12/527551112.db2.gz RADPXSGCUBYGHE-HSZRJFAPSA-N 1 0 484.040 5.624 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2ccccc2Cl)c1C[N@H+](C[C@@H](O)COCC(C)C)CC1CC1 ZINC000036303593 527551131 /nfs/dbraw/zinc/55/11/31/527551131.db2.gz RNZFMONFRWAKSP-XMMPIXPASA-N 1 0 498.067 5.872 50 0 JKAARO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[NH2+]C[C@@H](c1c2ccccc2[nH]c1-c1ccccc1)c1ccccc1 ZINC000028804061 527650052 /nfs/dbraw/zinc/65/00/52/527650052.db2.gz KSTAYNRDCSOSJB-HFZDXXHNSA-N 1 0 491.639 5.934 50 0 JKAARO O[C@@H](C[NH2+]C[C@@H]1CCCO1)Cn1c(-c2ccccc2)c(-c2ccccc2)c2ccc3ccccc3c21 ZINC000028296561 527651209 /nfs/dbraw/zinc/65/12/09/527651209.db2.gz XYPVNTBCLNERSY-SVBPBHIXSA-N 1 0 476.620 6.258 50 0 JKAARO O[C@@H](C[NH2+]Cc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000016477416 527652716 /nfs/dbraw/zinc/65/27/16/527652716.db2.gz GGGWVJVSAHGFPC-NRFANRHFSA-N 1 0 481.217 6.158 50 0 JKAARO O[C@@H](COCc1ccccc1)C[N@@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccccc2Cl)=NO1 ZINC000036146029 527658734 /nfs/dbraw/zinc/65/87/34/527658734.db2.gz QHQGHJBLSFZOGI-RPWUZVMVSA-N 1 0 499.438 5.566 50 0 JKAARO O=C(NCCC[NH+]1CCC(Cc2ccccc2)CC1)c1sc2ncccc2c1-n1cccc1 ZINC000033059857 527659516 /nfs/dbraw/zinc/65/95/16/527659516.db2.gz KVESHEWQWJGKJI-UHFFFAOYSA-N 1 0 458.631 5.162 50 0 JKAARO O=C(NCCC[NH+]1CCCC1)c1sc2c(cnc3cc4c(cc23)OCO4)c1-c1ccccc1 ZINC000045943739 527662138 /nfs/dbraw/zinc/66/21/38/527662138.db2.gz ZNQGAISUGGHSDK-UHFFFAOYSA-N 1 0 459.571 5.061 50 0 JKAARO O=C(NCCC[NH+]1CCCCCC1)c1cccc([C@H]2CCCN(C(=O)Nc3ccc(Cl)cc3)C2)c1 ZINC000033035469 527665411 /nfs/dbraw/zinc/66/54/11/527665411.db2.gz FSNOVAUJUYHHHE-DEOSSOPVSA-N 1 0 497.083 5.747 50 0 JKAARO COc1ccccc1CCNC(=O)[C@@H]1C[C@@H](c2ccc(F)c(C)c2)C[N@H+](Cc2ccccc2Cl)C1 ZINC000096247534 537038248 /nfs/dbraw/zinc/03/82/48/537038248.db2.gz OSKHREIGMMQWBW-JWQCQUIFSA-N 1 0 495.038 5.761 50 0 JKAARO O=C1NCN(c2ccccc2)C12CC[NH+](CCCC(c1ccc(F)cc1)c1ccc(F)cc1)CC2 ZINC000000537755 553711108 /nfs/dbraw/zinc/71/11/08/553711108.db2.gz QOYHHIBFXOOADH-UHFFFAOYSA-N 1 0 475.583 5.305 50 0 world JKAARO COc1ccccc1[C@@H]1Oc2ccccc2C2=C1[C@@H](c1ccc(Br)cc1)N1NC=NC1=N2 ZINC000000638017 553722158 /nfs/dbraw/zinc/72/21/58/553722158.db2.gz KGSBSEOZVAQGOR-RPWUZVMVSA-N 1 0 487.357 5.262 50 0 JKAARO Fc1ccc2c(c1)C1=C([C@@H](c3ccccc3)O2)[C@H](c2ccc(Br)cc2)N2NC=NC2=N1 ZINC000000638130 553722185 /nfs/dbraw/zinc/72/21/85/553722185.db2.gz RYXJLQPYRVIRSQ-XZOQPEGZSA-N 1 0 475.321 5.392 50 0 JKAARO c1ccc(Cn2c(CNc3nc4ccccc4n3CC[NH+]3CCCCC3)nc3ccccc32)cc1 ZINC000000716605 553768743 /nfs/dbraw/zinc/76/87/43/553768743.db2.gz MMOBBISAVIKZPP-UHFFFAOYSA-N 1 0 464.617 5.532 50 0 JKAARO O=C1C2=C(C(c3ccccc3)=[NH+]CCN2)[C@H](c2cccc(F)c2)N1c1cccc(C(F)(F)F)c1 ZINC000000843900 553794512 /nfs/dbraw/zinc/79/45/12/553794512.db2.gz OIPLTXYCDZCFOH-DEOSSOPVSA-N 1 0 465.450 5.279 50 0 JKAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)CSc1nc2ccccc2n1-c1ccccc1 ZINC000001050151 553901334 /nfs/dbraw/zinc/90/13/34/553901334.db2.gz VIXAARUGCWVACW-RCZVLFRGSA-N 1 0 468.626 5.261 50 0 JKAARO OC1(c2ccc(Br)cc2)CC[NH+](Cc2cccc(OCc3ccccc3)c2)CC1 ZINC000001226498 553936000 /nfs/dbraw/zinc/93/60/00/553936000.db2.gz MRHNLXMMSPDOLB-UHFFFAOYSA-N 1 0 452.392 5.512 50 0 JKAARO Cc1cc(Oc2coc3cc(OC[C@H](O)C[NH+]4CCCCCC4)ccc3c2=O)cc(C)c1Cl ZINC000001522258 553977980 /nfs/dbraw/zinc/97/79/80/553977980.db2.gz NRQFJANRLICWQL-LJQANCHMSA-N 1 0 471.981 5.471 50 0 JKAARO Cc1cccc(Oc2c(=O)c3ccc(OC[C@@H](O)C[NH+]4CCC(C)CC4)cc3oc2C(F)(F)F)c1 ZINC000001811015 553992260 /nfs/dbraw/zinc/99/22/60/553992260.db2.gz WJEAZGWAJLCRMJ-SFHVURJKSA-N 1 0 491.506 5.384 50 0 JKAARO Cc1cc(Oc2coc3cc(OC[C@H](O)C[N@@H+](C)Cc4ccccc4)ccc3c2=O)cc(C)c1Cl ZINC000001811016 553992383 /nfs/dbraw/zinc/99/23/83/553992383.db2.gz AZGZIBHELOPTBC-OAQYLSRUSA-N 1 0 493.987 5.727 50 0 JKAARO COc1ccc([C@H]2[NH2+]CCc3c4ccccc4[nH]c32)cc1COc1cc(C)c(Cl)cc1C(C)C ZINC000001825161 553992975 /nfs/dbraw/zinc/99/29/75/553992975.db2.gz OCPXRXSUTGWHTL-MUUNZHRXSA-N 1 0 475.032 7.076 50 0 biogenic JKAARO COc1ccc([C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)cc1COc1ccc(Br)cc1 ZINC000002087456 554032794 /nfs/dbraw/zinc/03/27/94/554032794.db2.gz ZNCJKDGFKMHECW-DEOSSOPVSA-N 1 0 463.375 5.753 50 0 biogenic JKAARO CC(=O)C1=CC[C@@H]2[C@@H]3CC=C4C[C@H](OC(=O)CC[NH+]5CCCCC5)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000002101138 554042704 /nfs/dbraw/zinc/04/27/04/554042704.db2.gz GFSADSWYLWESJW-QZFXGGELSA-N 1 0 453.667 5.862 50 0 biogenic JKAARO CC(C)Oc1ccc(-c2cc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)c3ccccc3n2)cc1 ZINC000002107681 554047593 /nfs/dbraw/zinc/04/75/93/554047593.db2.gz FTNVTTJFNTUDLJ-UHFFFAOYSA-N 1 0 479.624 6.083 50 0 JKAARO COc1ccc([C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)cc1CN1CCc2cc(OC)c(OC)cc2[C@H]1C ZINC000002109394 554049054 /nfs/dbraw/zinc/04/90/54/554049054.db2.gz FAHCSUHPPAUHAJ-QTEAWJPNSA-N 1 0 497.639 5.548 50 0 JKAARO COc1ccccc1-c1nc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc2c3ccccc3[nH]c21 ZINC000002113150 554051536 /nfs/dbraw/zinc/05/15/36/554051536.db2.gz XVFRTPPRENJJRV-UHFFFAOYSA-N 1 0 490.607 5.786 50 0 biogenic JKAARO O=C(N[C@H](OC[C@H]1CCC[N@@H+]2CCCC[C@H]12)C(Cl)(Cl)Cl)c1cccc2ccccc21 ZINC000002129684 554059642 /nfs/dbraw/zinc/05/96/42/554059642.db2.gz VRSQERDXHFMAAL-NQSCKRDGSA-N 1 0 469.840 5.547 50 0 JKAARO COc1cc2nc(C3CCCCC3)nc(N3CCC(O)(c4ccc(Cl)cc4)CC3)c2cc1OC ZINC000002153672 554071424 /nfs/dbraw/zinc/07/14/24/554071424.db2.gz AFWUTGDSTZOJSR-UHFFFAOYSA-N 1 0 482.024 5.836 50 0 JKAARO CC(C)Sc1nc2sc3c(c2c2nnc(SCC[NH+]4CCCCC4)n21)CC(C)(C)OC3 ZINC000002224657 554102812 /nfs/dbraw/zinc/10/28/12/554102812.db2.gz JSVARJWNIRUKRW-UHFFFAOYSA-N 1 0 477.725 5.269 50 0 JKAARO O[C@@H](C[NH2+]C1CCCCC1)Cn1c(-c2ccccc2)c(-c2ccccc2)c2ccc3ccccc3c21 ZINC000002294056 554136870 /nfs/dbraw/zinc/13/68/70/554136870.db2.gz YCYHZTQIPOEUIX-NDEPHWFRSA-N 1 0 474.648 7.412 50 0 JKAARO Cc1ccc(C[NH+]2CCN(c3cc(C(C)(C)C)nc4c(-c5ccc(Cl)cc5)cnn43)CC2)c(C)c1 ZINC000002350196 554161054 /nfs/dbraw/zinc/16/10/54/554161054.db2.gz POWLKGZIEJENKL-UHFFFAOYSA-N 1 0 488.079 6.286 50 0 JKAARO CC[NH+](CC)CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000002417346 554195924 /nfs/dbraw/zinc/19/59/24/554195924.db2.gz XDDIEOIAGXVNKU-NRFANRHFSA-N 1 0 459.373 5.377 50 0 JKAARO O[C@@]1(c2ccc(Br)cc2)CN(c2cccc(C(F)(F)F)c2)C2=[N+]1CCCCC2 ZINC000002546703 554235011 /nfs/dbraw/zinc/23/50/11/554235011.db2.gz VOKMVWIOJGOVLC-HXUWFJFHSA-N 1 0 454.310 5.118 50 0 JKAARO O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 ZINC000002630058 554252658 /nfs/dbraw/zinc/25/26/58/554252658.db2.gz FHGWFHOLPMKNGE-UHFFFAOYSA-N 1 0 490.069 5.059 50 0 JKAARO Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)NCC3([NH+]4CCCCC4)CCCCC3)cc12 ZINC000002643632 554261841 /nfs/dbraw/zinc/26/18/41/554261841.db2.gz ZHMTVOMDYURWHA-UHFFFAOYSA-N 1 0 471.070 5.967 50 0 JKAARO Brc1ccc(CN2CCC([N@H+](CCc3ccccc3)Cc3ccccc3)CC2)cc1 ZINC000002734663 554318497 /nfs/dbraw/zinc/31/84/97/554318497.db2.gz BENGWSOFIZZHHA-UHFFFAOYSA-N 1 0 463.463 6.158 50 0 JKAARO C[N@H+](Cc1cc(Br)cc(Br)c1NC(=O)c1ccc(F)cc1)C1CCCCC1 ZINC000002742486 554322455 /nfs/dbraw/zinc/32/24/55/554322455.db2.gz YINHPJDKZGGXLX-UHFFFAOYSA-N 1 0 498.234 6.368 50 0 JKAARO CCOc1ccc(C[N@H+](CCc2ccc3c(c2)OCO3)Cc2ccc(Br)cc2)cc1 ZINC000002752631 554326952 /nfs/dbraw/zinc/32/69/52/554326952.db2.gz MYWGESDQVUZVSV-UHFFFAOYSA-N 1 0 468.391 5.821 50 0 JKAARO Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)N3CC[NH+](C4C5CC6CC(C5)CC4C6)CC3)cc12 ZINC000002767105 554334081 /nfs/dbraw/zinc/33/40/81/554334081.db2.gz SXWPKHOAYVURQS-UHFFFAOYSA-N 1 0 481.684 5.889 50 0 JKAARO CCCc1ccc([C@@H](C)[NH2+]CC(=O)Nc2nc(-c3ccc(Br)cc3)cs2)cc1 ZINC000002789429 554346060 /nfs/dbraw/zinc/34/60/60/554346060.db2.gz NLZOIMZWGMSLFK-OAHLLOKOSA-N 1 0 458.425 5.814 50 0 JKAARO CC[NH+](CC)CCCN1C(=S)N=NC1c1ccc(COc2ccc(Cl)cc2Cl)cc1 ZINC000002793569 554349156 /nfs/dbraw/zinc/34/91/56/554349156.db2.gz WPIGCCXHWMYPBN-UHFFFAOYSA-N 1 0 465.450 5.852 50 0 JKAARO CC(C)CC[NH2+]C[C@H](O)Cn1c2ccc(Br)cc2c2cc(Br)ccc21 ZINC000002829707 554367711 /nfs/dbraw/zinc/36/77/11/554367711.db2.gz NMSFERQVNZXNBW-INIZCTEOSA-N 1 0 468.233 5.316 50 0 JKAARO COc1cc(C[NH2+]C2C3CC4CC(C3)CC2C4)cc(Br)c1OCc1cccs1 ZINC000002836592 554370342 /nfs/dbraw/zinc/37/03/42/554370342.db2.gz LIQNGGKJLZHHIH-UHFFFAOYSA-N 1 0 462.453 6.013 50 0 JKAARO CCOC(=O)c1c(NC(=S)Nc2ccc(C[NH+]3CCCCC3)cc2)sc2c1CCCC2 ZINC000002853292 554381216 /nfs/dbraw/zinc/38/12/16/554381216.db2.gz PLAZXBDKTPGRDE-UHFFFAOYSA-N 1 0 457.665 5.598 50 0 JKAARO CCOc1cc(C[NH2+][C@H](C)c2ccccc2)c(Br)cc1OCC(=O)Nc1ccccc1 ZINC000002861484 554388210 /nfs/dbraw/zinc/38/82/10/554388210.db2.gz OEFPJCFUICAPJC-GOSISDBHSA-N 1 0 483.406 5.716 50 0 JKAARO O=C(NCC[NH2+]Cc1ccccc1)c1cc(-c2ccc(Cl)c(Cl)c2Cl)nc2ccccc21 ZINC000003216506 554431883 /nfs/dbraw/zinc/43/18/83/554431883.db2.gz CISLKWHYVOPICM-UHFFFAOYSA-N 1 0 484.814 6.382 50 0 JKAARO C[C@@H]1C[C@H](C)C[N@@H+](Cn2c3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3oc2=S)C1 ZINC000003246233 554436634 /nfs/dbraw/zinc/43/66/34/554436634.db2.gz ISTLVQVHJQJHOE-GASCZTMLSA-N 1 0 466.028 5.353 50 0 JKAARO COc1cc(C[N@H+](C)C[C@H](O)COc2ccc(C(C)(C)c3ccccc3)cc2)ccc1OC(F)F ZINC000003365975 554459112 /nfs/dbraw/zinc/45/91/12/554459112.db2.gz FHPMXPBEPCULGG-QHCPKHFHSA-N 1 0 485.571 5.494 50 0 JKAARO CC(=O)c1c(C[N@@H+](C)C23CC4CC(CC(C4)C2)C3)nc2n(Cc3ccccc3)c3ccccc3n12 ZINC000003833073 554471019 /nfs/dbraw/zinc/47/10/19/554471019.db2.gz WYTXTYXFZLUVRR-UHFFFAOYSA-N 1 0 466.629 5.941 50 0 JKAARO COc1ccc2c(c1)OC(C)(C)[C@H](c1ccccc1)[C@H]2c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000005104028 554486589 /nfs/dbraw/zinc/48/65/89/554486589.db2.gz XZEUAXYWNKYKPL-URLMMPGGSA-N 1 0 457.614 6.257 50 0 world JKAARO CCCCCC[NH+](CCCCCC)C[C@H](O)c1cc(-c2ccc(Cl)cc2)nc2c(C)cc(C)cc12 ZINC000005946145 554497295 /nfs/dbraw/zinc/49/72/95/554497295.db2.gz REJJTMLSIWBWAU-PMERELPUSA-N 1 0 495.151 8.668 50 0 JKAARO Cc1cc2c(-c3ccccc3)c(-c3ccccc3)n(C[C@@H](O)C[NH2+]Cc3ccco3)c2c(C)c1 ZINC000008432033 554585027 /nfs/dbraw/zinc/58/50/27/554585027.db2.gz NICAUZDOJWLLJD-VWLOTQADSA-N 1 0 450.582 6.336 50 0 JKAARO CCOc1ccc(NCc2nnc(SCC[NH+]3CCCCC3)n2-c2ccc(C)cc2)cc1 ZINC000008446144 554595396 /nfs/dbraw/zinc/59/53/96/554595396.db2.gz DSPUMESCYDIVSM-UHFFFAOYSA-N 1 0 451.640 5.165 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2ccc(Br)cc2)c1C[NH2+]C1CCC(O)CC1 ZINC000008751234 554653174 /nfs/dbraw/zinc/65/31/74/554653174.db2.gz ZJKJFVGDPNPOON-UHFFFAOYSA-N 1 0 456.384 5.129 50 0 JKAARO Oc1ccccc1C=CC1=C[C@](O)(C(F)(F)F)N(c2nc(-c3ccc(Cl)cc3)cs2)[NH2+]1 ZINC000008754017 554655732 /nfs/dbraw/zinc/65/57/32/554655732.db2.gz GIAYOLWXTKXHLU-OSICKASQSA-N 1 0 465.884 5.700 50 0 JKAARO COc1ccccc1NC(=O)c1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc3c(c2)CCCC3)cc1 ZINC000008762966 554662789 /nfs/dbraw/zinc/66/27/89/554662789.db2.gz DGGQTYFITYCABS-UXHICEINSA-N 1 0 471.601 5.504 50 0 JKAARO COc1ccccc1NC(=O)c1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc3c(c2)CCCC3)cc1 ZINC000008762962 554662803 /nfs/dbraw/zinc/66/28/03/554662803.db2.gz DGGQTYFITYCABS-PMACEKPBSA-N 1 0 471.601 5.504 50 0 JKAARO COc1ccccc1NC(=O)c1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc3c(c2)CCCC3)cc1 ZINC000008762971 554662839 /nfs/dbraw/zinc/66/28/39/554662839.db2.gz DGGQTYFITYCABS-VQTJNVASSA-N 1 0 471.601 5.504 50 0 JKAARO Cc1sc(NC(=O)c2ccco2)c([C@H](c2ccc(OC(F)F)cc2)[NH+]2CCC(C)CC2)c1C ZINC000008763385 554663463 /nfs/dbraw/zinc/66/34/63/554663463.db2.gz YTYUZCPKVOCSHM-QFIPXVFZSA-N 1 0 474.573 6.633 50 0 JKAARO COc1ccc(C2=NN3[C@@H](C2)c2cccc(OC)c2OC32CC[NH+](Cc3ccccc3)CC2)c(OC)c1 ZINC000008770409 554670743 /nfs/dbraw/zinc/67/07/43/554670743.db2.gz LPPUYAXUKHLNLM-SANMLTNESA-N 1 0 499.611 5.248 50 0 JKAARO COc1cc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc(Br)c1OCc1ccccc1 ZINC000008772507 554672299 /nfs/dbraw/zinc/67/22/99/554672299.db2.gz KYJZFDFAWNMHEP-OAQYLSRUSA-N 1 0 499.405 5.197 50 0 JKAARO CC(=O)Nc1cc(C(=O)NCCC[NH+](CC(C)C)CC(C)C)ccc1Sc1ccc(F)cc1 ZINC000008811345 554692382 /nfs/dbraw/zinc/69/23/82/554692382.db2.gz MTSYWJCGUHIJMD-UHFFFAOYSA-N 1 0 473.658 5.669 50 0 JKAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(Sc2ccc(C)cc2)c(NC(C)=O)c1 ZINC000008811462 554692499 /nfs/dbraw/zinc/69/24/99/554692499.db2.gz QOQDKDGXVIDXCH-QFIPXVFZSA-N 1 0 453.652 5.489 50 0 JKAARO CCCC[N@H+](C)CCCNC(=O)c1ccc(Cl)c(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1 ZINC000008812024 554693104 /nfs/dbraw/zinc/69/31/04/554693104.db2.gz ZTFLWSOLFSTGOU-UHFFFAOYSA-N 1 0 485.843 6.143 50 0 JKAARO CCCCC[N@H+](CCCC)Cc1ccc(NC(=S)NC(=O)c2cc3ccccc3o2)cc1 ZINC000008814650 554696710 /nfs/dbraw/zinc/69/67/10/554696710.db2.gz YOOBTRICAHCGTF-UHFFFAOYSA-N 1 0 451.636 6.352 50 0 JKAARO CCC[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccc(OC)cc3)=NN12 ZINC000008817550 554700373 /nfs/dbraw/zinc/70/03/73/554700373.db2.gz DZZXFSLRKYTBEG-QFIPXVFZSA-N 1 0 470.411 5.203 50 0 JKAARO CCOc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCC[NH+](CC)CC)cc1OC ZINC000008834882 554733052 /nfs/dbraw/zinc/73/30/52/554733052.db2.gz AFTDOYUZSSABJL-DEOSSOPVSA-N 1 0 499.007 5.131 50 0 JKAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)CSc1nc2ccccc2n1-c1ccccc1 ZINC000008856548 554752472 /nfs/dbraw/zinc/75/24/72/554752472.db2.gz VIXAARUGCWVACW-RDGATRHJSA-N 1 0 468.626 5.261 50 0 JKAARO COc1ccc([C@H](CN2C(=O)[C@@H](C)S[C@H]2c2ccc(Br)s2)[NH+]2CCCC2)cc1 ZINC000008881264 554776459 /nfs/dbraw/zinc/77/64/59/554776459.db2.gz XEJIPRBVPNAAKE-FNXXIHLHSA-N 1 0 481.481 5.319 50 0 JKAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(Cn2c3cnccc3nc2SCc2ccc(C)cc2)cc1 ZINC000008911935 554801426 /nfs/dbraw/zinc/80/14/26/554801426.db2.gz NTEKXBYXGLDZIF-RUZDIDTESA-N 1 0 499.684 5.294 50 0 JKAARO O=C(NCCC[NH+]1CCCCC1)c1ccc(CSc2nc3ccncc3n2Cc2ccccc2)cc1 ZINC000008911901 554801442 /nfs/dbraw/zinc/80/14/42/554801442.db2.gz QMCARFWTMIQCQI-UHFFFAOYSA-N 1 0 499.684 5.378 50 0 JKAARO Cc1ccc(C[NH+]2CCC(CNC(=O)c3ccc(N4CCOc5ccc(Cl)cc54)s3)CC2)cc1 ZINC000008912123 554801880 /nfs/dbraw/zinc/80/18/80/554801880.db2.gz AGZPCQHRBAFQOO-UHFFFAOYSA-N 1 0 496.076 5.882 50 0 JKAARO COc1ccc([C@H](CNC(=O)c2oc3cc(Br)ccc3c2C)[NH+]2CCCC2)cc1 ZINC000008916981 554811685 /nfs/dbraw/zinc/81/16/85/554811685.db2.gz AGAKGKHNNUTFCI-FQEVSTJZSA-N 1 0 457.368 5.079 50 0 JKAARO C[C@@H]1CCc2c(sc(NC(=O)C[NH2+]CCc3ccccc3)c2C(=O)Nc2ccccc2F)C1 ZINC000008919160 554815926 /nfs/dbraw/zinc/81/59/26/554815926.db2.gz WRAFWWVLCNQHCZ-QGZVFWFLSA-N 1 0 465.594 5.035 50 0 JKAARO O=C(CC[NH+]1CCCCC1)Nc1sc2c(c1C(=O)Nc1ccc(Br)cc1)CCC2 ZINC000008919205 554816047 /nfs/dbraw/zinc/81/60/47/554816047.db2.gz YPCAQXOUDGNQPD-UHFFFAOYSA-N 1 0 476.440 5.066 50 0 JKAARO Clc1ccc(C2=NN3[C@H](C2)c2ccccc2OC32CC[NH+](Cc3ccccc3)CC2)c(Cl)c1 ZINC000008921556 554818636 /nfs/dbraw/zinc/81/86/36/554818636.db2.gz PVMUBBREOOPRQY-RUZDIDTESA-N 1 0 478.423 6.529 50 0 JKAARO CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC(=O)c4cccc5ccccc54)cc2)N3)C1 ZINC000008923130 554820424 /nfs/dbraw/zinc/82/04/24/554820424.db2.gz WGXGMUHKXAAJEQ-AREMUKBSSA-N 1 0 497.620 6.316 50 0 JKAARO CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC(=O)c4ccc(Cl)cc4)cc2)N3)C1 ZINC000008923472 554820665 /nfs/dbraw/zinc/82/06/65/554820665.db2.gz UCYOKFYGUZOXBZ-JOCHJYFZSA-N 1 0 482.005 5.816 50 0 JKAARO CCOc1ccc(Br)cc1[C@H]1Nc2sc3c(c2C(=O)N1)CC[N@H+](C(C)C)C3 ZINC000008923464 554820699 /nfs/dbraw/zinc/82/06/99/554820699.db2.gz RMDFHRZZBWJEMZ-GOSISDBHSA-N 1 0 450.402 5.105 50 0 JKAARO CCOc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](CC)C4)ccc1OC(=O)c1ccccc1 ZINC000008927661 554825133 /nfs/dbraw/zinc/82/51/33/554825133.db2.gz GEIROIAFWSNOND-HSZRJFAPSA-N 1 0 477.586 5.173 50 0 JKAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC(=O)c4ccccc4Cl)c(OC)c2)N3)C1 ZINC000008928007 554825536 /nfs/dbraw/zinc/82/55/36/554825536.db2.gz VJGKHPSXXCTKFQ-JOCHJYFZSA-N 1 0 498.004 5.436 50 0 JKAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC(=O)c4ccccc4Cl)c(OC)c2)N3)C1 ZINC000008928005 554825580 /nfs/dbraw/zinc/82/55/80/554825580.db2.gz VJGKHPSXXCTKFQ-QFIPXVFZSA-N 1 0 498.004 5.436 50 0 JKAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC(=O)c4ccccc4Cl)cc2)N3)C1 ZINC000008928004 554825640 /nfs/dbraw/zinc/82/56/40/554825640.db2.gz VWUQGFORYBLXAR-OAQYLSRUSA-N 1 0 467.978 5.428 50 0 JKAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cc2c3ccccc3[nH]c2c(-c2ccc(F)cc2)n1 ZINC000008952518 554836292 /nfs/dbraw/zinc/83/62/92/554836292.db2.gz WTYXCNCOYGIRPV-UHFFFAOYSA-N 1 0 478.571 5.917 50 0 biogenic JKAARO COc1ccc([C@@]2(CC[NH2+]C[C@H]3C(=O)O[C@@H]4C[C@@]5(C)CCCC(C)=C5C[C@@H]43)CCOC(C)(C)C2)cc1 ZINC000009008579 554862787 /nfs/dbraw/zinc/86/27/87/554862787.db2.gz UFWINNDKPCZSNS-BPFKKLROSA-N 1 0 495.704 5.960 50 0 biogenic JKAARO Brc1ccc2c(c1)[C@H]1CC(c3cccs3)=NN1C1(CC[NH+](Cc3ccccc3)CC1)O2 ZINC000009019228 554866744 /nfs/dbraw/zinc/86/67/44/554866744.db2.gz STVJHWNMCLPTTI-JOCHJYFZSA-N 1 0 494.458 6.046 50 0 JKAARO CC[NH+](CC)CCC[C@H](C)Nc1nc(/C=C/c2ccc(Cl)cc2Cl)nc2ccc(OC)cc21 ZINC000009019689 554866972 /nfs/dbraw/zinc/86/69/72/554866972.db2.gz OFUVJTUTXSSQIJ-MDNBWPLSSA-N 1 0 487.475 7.038 50 0 JKAARO O=C(N[C@H](OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(Cl)(Cl)Cl)c1ccc(Cl)cc1 ZINC000009033402 554867679 /nfs/dbraw/zinc/86/76/79/554867679.db2.gz OXYYGWFHYWELQU-YXJHDRRASA-N 1 0 454.225 5.047 50 0 biogenic JKAARO Cc1[nH]nc(-c2ccc(OCC[NH+]3CCCCC3)cc2O)c1-c1ccc(Br)cc1 ZINC000009060218 554878522 /nfs/dbraw/zinc/87/85/22/554878522.db2.gz FRHIJUIGGRJRNL-UHFFFAOYSA-N 1 0 456.384 5.385 50 0 JKAARO C[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccccc3OC(F)F)=NN12 ZINC000009066660 554885746 /nfs/dbraw/zinc/88/57/46/554885746.db2.gz JDWRESMQWLJNBI-GOSISDBHSA-N 1 0 478.337 5.016 50 0 JKAARO C[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccccc3OC(F)F)=NN12 ZINC000009066655 554885818 /nfs/dbraw/zinc/88/58/18/554885818.db2.gz JDWRESMQWLJNBI-SFHVURJKSA-N 1 0 478.337 5.016 50 0 JKAARO CCCC[N@H+](CCCNC(=O)c1ccc(C[S@@](=O)c2cccc(Cl)c2)o1)Cc1ccccc1 ZINC000009115444 554902129 /nfs/dbraw/zinc/90/21/29/554902129.db2.gz HGUOAQCANCGXLC-XIFFEERXSA-N 1 0 487.065 5.663 50 0 JKAARO Cc1ccc(Cn2cc(CCC(=O)NC3CC[NH+](Cc4ccccc4)CC3)c3ccccc32)cc1 ZINC000009116072 554903356 /nfs/dbraw/zinc/90/33/56/554903356.db2.gz TWDXHUMTGXNHCV-UHFFFAOYSA-N 1 0 465.641 5.711 50 0 JKAARO Cc1ccc(N2CC[NH+](CCc3nc4cc(NC(=O)c5ccccc5Cl)ccc4n3C)CC2)cc1 ZINC000009123975 554914743 /nfs/dbraw/zinc/91/47/43/554914743.db2.gz NZZXMAHUXYGYOS-UHFFFAOYSA-N 1 0 488.035 5.152 50 0 JKAARO O=C(Nc1ccc(F)cc1)N(Cc1ccc2c(c1)OCO2)C1CC[NH+](Cc2ccccc2)CC1 ZINC000009151152 554937346 /nfs/dbraw/zinc/93/73/46/554937346.db2.gz UZQYDWIFAGHAKL-UHFFFAOYSA-N 1 0 461.537 5.253 50 0 JKAARO CCOc1ccccc1NC(=O)N(Cc1ccc2c(c1)OCO2)C1CC[NH+](Cc2ccccc2)CC1 ZINC000009151149 554937421 /nfs/dbraw/zinc/93/74/21/554937421.db2.gz AONGVBSQEZVHFI-UHFFFAOYSA-N 1 0 487.600 5.513 50 0 JKAARO CC[NH+]1CCC(N(Cc2ccc3c(c2)OCO3)C(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000009151156 554937446 /nfs/dbraw/zinc/93/74/46/554937446.db2.gz GKMYNUQHWCCUJV-UHFFFAOYSA-N 1 0 450.366 5.241 50 0 JKAARO Cc1oc(-c2ccc(C(=O)NCCC[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)nc1CSc1ccc(C)cc1 ZINC000009211954 554982055 /nfs/dbraw/zinc/98/20/55/554982055.db2.gz LHVDBMIJMRAMJC-FGZHOGPDSA-N 1 0 491.701 6.349 50 0 JKAARO COc1cc(Cl)c(C)cc1NC(=O)c1cnn(-c2ccc(C)c(C)c2)c1C1CC[NH2+]CC1 ZINC000009227226 555000027 /nfs/dbraw/zinc/00/00/27/555000027.db2.gz QJUCPTVAVBTORD-UHFFFAOYSA-N 1 0 452.986 5.179 50 0 JKAARO CC[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)Nc2cn(CC(C)C)c(=O)c3ccccc23)o1 ZINC000009227609 555000471 /nfs/dbraw/zinc/00/04/71/555000471.db2.gz KMIHBWBEFHJCHP-FQEVSTJZSA-N 1 0 464.610 5.337 50 0 JKAARO CC[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)Nc2cn(CC(C)C)c(=O)c3ccccc23)o1 ZINC000009227607 555000545 /nfs/dbraw/zinc/00/05/45/555000545.db2.gz KMIHBWBEFHJCHP-HXUWFJFHSA-N 1 0 464.610 5.337 50 0 JKAARO Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)NCCC[N@@H+]3CCc4ccccc4C3)cc12 ZINC000009229062 555003131 /nfs/dbraw/zinc/00/31/31/555003131.db2.gz MBLSEUZYGBZGJE-UHFFFAOYSA-N 1 0 451.614 5.485 50 0 JKAARO O=C(NCCC[NH+]1CCC(Cc2ccccc2)CC1)c1ccc(-n2ccc3ccccc32)s1 ZINC000009229191 555003477 /nfs/dbraw/zinc/00/34/77/555003477.db2.gz IGUSBUUPKDMFMF-UHFFFAOYSA-N 1 0 457.643 5.767 50 0 JKAARO Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000009244640 555019768 /nfs/dbraw/zinc/01/97/68/555019768.db2.gz GYBMJMBEIPGQRW-DEOSSOPVSA-N 1 0 459.546 5.184 50 0 JKAARO Cc1cccc(N2CCN(C(=O)C3CC[NH+](Cc4cccc(OCc5ccccc5)c4)CC3)CC2)c1C ZINC000009246626 555022569 /nfs/dbraw/zinc/02/25/69/555022569.db2.gz PMWOWTQIFUSHID-UHFFFAOYSA-N 1 0 497.683 5.443 50 0 JKAARO Cc1nn(-c2ccccc2)c(-n2cccc2)c1C[NH+]1CCC(C(=O)Nc2cc(C)cc(C)c2)CC1 ZINC000009251644 555026031 /nfs/dbraw/zinc/02/60/31/555026031.db2.gz UNZJSGYSMCJYLB-UHFFFAOYSA-N 1 0 467.617 5.439 50 0 JKAARO CCc1cc([C@H](c2ccc(OC)c(OC)c2)[NH+]2CCCCC2)c(NC(=O)c2ccccc2)s1 ZINC000009253708 555029153 /nfs/dbraw/zinc/02/91/53/555029153.db2.gz GYIQKYYJNQQOIJ-VWLOTQADSA-N 1 0 464.631 6.155 50 0 JKAARO Cc1cccc(CC(=O)Nc2c3ccccc3oc2C(=O)N2CCC([NH+]3CCCCC3)CC2)c1 ZINC000009265298 555041061 /nfs/dbraw/zinc/04/10/61/555041061.db2.gz UTZPBQBXGLTCSE-UHFFFAOYSA-N 1 0 459.590 5.013 50 0 JKAARO CC[NH+](CC)CCCNc1nc(SC)nc2c1sc1nc(-c3ccco3)c3c(c12)CCC3 ZINC000009274040 555046159 /nfs/dbraw/zinc/04/61/59/555046159.db2.gz YSECCRWYZIQZGC-UHFFFAOYSA-N 1 0 467.664 5.854 50 0 JKAARO CC(C)[N@H+](CCCNC(=O)c1[nH]c2ccccc2c1Sc1ccc(Cl)cc1)Cc1ccccc1 ZINC000009288179 555061685 /nfs/dbraw/zinc/06/16/85/555061685.db2.gz BUUAEPYPISHVNI-UHFFFAOYSA-N 1 0 492.088 7.003 50 0 JKAARO COc1ccc2c(c1)[nH]c(C(=O)NCCC[N@H+](Cc1ccccc1)C(C)C)c2Sc1ccccc1 ZINC000009288394 555062215 /nfs/dbraw/zinc/06/22/15/555062215.db2.gz NMZQKCZMJVHBSL-UHFFFAOYSA-N 1 0 487.669 6.358 50 0 JKAARO COc1ccc2c(c1)[nH]c(C(=O)NCCC[N@H+](C)C1CCCCC1)c2Sc1ccc(Cl)cc1 ZINC000009288653 555062448 /nfs/dbraw/zinc/06/24/48/555062448.db2.gz MKPCBWSYXIVEOB-UHFFFAOYSA-N 1 0 486.081 6.366 50 0 JKAARO Cc1ccc(N2CC[NH+](CCc3nc4cc(NC(=O)c5ccc(Cl)cc5)ccc4n3C)CC2)cc1 ZINC000009293058 555068053 /nfs/dbraw/zinc/06/80/53/555068053.db2.gz XXCNFPWITIHCSG-UHFFFAOYSA-N 1 0 488.035 5.152 50 0 JKAARO C[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccc(OC(F)F)cc3)=NN12 ZINC000009301986 555075050 /nfs/dbraw/zinc/07/50/50/555075050.db2.gz SDRHFZWQSGSKDH-IBGZPJMESA-N 1 0 478.337 5.016 50 0 JKAARO COc1ccc(C2=NN3[C@H](C2)c2cc(C)ccc2OC32CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000009307742 555080902 /nfs/dbraw/zinc/08/09/02/555080902.db2.gz XYTOZJVLVMHAAC-HHHXNRCGSA-N 1 0 453.586 5.539 50 0 JKAARO COc1ccc([C@H]2Oc3ccccc3C3=C2[C@H](c2ccc(C(C)C)cc2)N2NC=NC2=N3)c(OC)c1 ZINC000009345198 555110967 /nfs/dbraw/zinc/11/09/67/555110967.db2.gz JJGBWEFTVBXQRK-WUFINQPMSA-N 1 0 480.568 5.631 50 0 JKAARO C[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccc(Br)s3)=NN12 ZINC000009347651 555113642 /nfs/dbraw/zinc/11/36/42/555113642.db2.gz NAYFVVLWFNGACI-OAHLLOKOSA-N 1 0 497.256 5.239 50 0 JKAARO Cc1nn2c(nc(C(C)(C)C)cc2N2CC[NH+](CCc3ccccc3)CC2)c1-c1ccccc1 ZINC000009347749 555113830 /nfs/dbraw/zinc/11/38/30/555113830.db2.gz OEBJPVPDGFBCMX-UHFFFAOYSA-N 1 0 453.634 5.367 50 0 JKAARO COC(=O)c1c(C[N@H+](C)C23CC4CC(CC(C4)C2)C3)nc2n(Cc3ccccc3)c3ccccc3n12 ZINC000009350838 555117152 /nfs/dbraw/zinc/11/71/52/555117152.db2.gz HSWRKJAWORETBM-UHFFFAOYSA-N 1 0 482.628 5.525 50 0 JKAARO FC(F)Oc1ccc(C2=NN3[C@H](C2)c2ccccc2OC32CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000009357008 555122108 /nfs/dbraw/zinc/12/21/08/555122108.db2.gz IOGFOCZGSRLWIU-RUZDIDTESA-N 1 0 475.539 5.824 50 0 JKAARO C[C@H]1CCC[C@H](C)[NH+]1CCCNC(=O)c1ccc2c(c1)sc1nc(-c3ccc(F)cc3)cn21 ZINC000009406587 555167146 /nfs/dbraw/zinc/16/71/46/555167146.db2.gz NRSZQZBDFKMGGZ-ROUUACIJSA-N 1 0 464.610 5.738 50 0 JKAARO CC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC[C@@H](O)C[NH2+]CCc3ccccc3)cc21 ZINC000009408665 555171576 /nfs/dbraw/zinc/17/15/76/555171576.db2.gz WZILFJQNQUQCPP-VWLOTQADSA-N 1 0 456.586 5.022 50 0 JKAARO CCOc1ccccc1C[NH2+]C[C@H](O)COc1ccc2c(c1)c(C(C)=O)c(C)n2-c1ccc(C)cc1 ZINC000009409348 555174117 /nfs/dbraw/zinc/17/41/17/555174117.db2.gz XFOCIDRBBPJOQI-VWLOTQADSA-N 1 0 486.612 5.378 50 0 JKAARO Cc1oc2cc(OCC(=O)NC3CC[NH+](Cc4ccccc4)CC3)ccc2c(=O)c1Oc1ccccc1 ZINC000009420555 555187066 /nfs/dbraw/zinc/18/70/66/555187066.db2.gz ZHUJRWZZWHTCDP-UHFFFAOYSA-N 1 0 498.579 5.053 50 0 JKAARO CC[NH+](CC)CCNc1nc(SC)nc2c1sc1nc(C(C)C)c3c(c12)CC(C)(C)OC3 ZINC000009425321 555189892 /nfs/dbraw/zinc/18/98/92/555189892.db2.gz HOQFJEDOJPMKDU-UHFFFAOYSA-N 1 0 473.712 5.690 50 0 JKAARO CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCCC[N@H+](C)Cc2ccccc2)[C@H]1c1cccs1 ZINC000009433047 555202895 /nfs/dbraw/zinc/20/28/95/555202895.db2.gz NKHANABDLBUCCV-RRPNLBNLSA-N 1 0 489.685 5.323 50 0 JKAARO COc1ccc(Cl)c2sc(N(CCC[NH+](C)C)C(=O)c3ccc(Br)s3)nc21 ZINC000009453131 555224829 /nfs/dbraw/zinc/22/48/29/555224829.db2.gz DGLLEGYAKJLZFL-UHFFFAOYSA-N 1 0 488.860 5.381 50 0 JKAARO COc1ccc(C[NH2+]CC[C@]2(c3cccc(C(F)(F)F)c3)CCOC(C)(C)C2)cc1OC ZINC000009453581 555224942 /nfs/dbraw/zinc/22/49/42/555224942.db2.gz XBAHYNJLXPJXCZ-DEOSSOPVSA-N 1 0 451.529 5.729 50 0 JKAARO CC(C)[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccccc3F)=NN12 ZINC000009462127 555230881 /nfs/dbraw/zinc/23/08/81/555230881.db2.gz ZGEZDAASSYUPML-OAQYLSRUSA-N 1 0 458.375 5.332 50 0 JKAARO CCOC(=O)[C@H]1CCC[N@@H+]([C@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)c2ccccc2)C1 ZINC000009494719 555279112 /nfs/dbraw/zinc/27/91/12/555279112.db2.gz JMJTUDCRHYLANB-ZCYQVOJMSA-N 1 0 476.642 5.982 50 0 JKAARO COc1cccc(C2=NN3[C@@H](C2)c2cc(C)ccc2OC32CC[NH+](Cc3ccccc3)CC2)c1 ZINC000009498808 555283376 /nfs/dbraw/zinc/28/33/76/555283376.db2.gz PXCQRVNRJXGYLM-MHZLTWQESA-N 1 0 453.586 5.539 50 0 JKAARO COc1ccc(-c2csc3ncnc(NCC4CC[NH+](Cc5ccc(Cl)cc5)CC4)c23)cc1 ZINC000009527757 555320772 /nfs/dbraw/zinc/32/07/72/555320772.db2.gz XRIQPGAWCOHTHI-UHFFFAOYSA-N 1 0 479.049 6.344 50 0 JKAARO COc1ccc(-c2nc3ccccc3c(NCC3CC[NH+](Cc4ccc(Cl)cc4)CC3)n2)cc1 ZINC000009527076 555320788 /nfs/dbraw/zinc/32/07/88/555320788.db2.gz PDOPNXBQGJJDAU-UHFFFAOYSA-N 1 0 473.020 6.283 50 0 JKAARO Cc1ccc2nc3sc(C(=O)NCC4CC[NH+](Cc5ccccc5Cl)CC4)cc3cc2c1 ZINC000009528752 555322522 /nfs/dbraw/zinc/32/25/22/555322522.db2.gz KKLLSQHIIYGLNR-UHFFFAOYSA-N 1 0 464.034 6.053 50 0 JKAARO COc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000009531099 555325858 /nfs/dbraw/zinc/32/58/58/555325858.db2.gz ZSOPKBGGTZBMIQ-UHFFFAOYSA-N 1 0 475.596 5.418 50 0 JKAARO CC[NH+]1CCN(c2nc(/C=C/c3ccc(Br)cc3)nc3sc4c(c32)CCCC4)CC1 ZINC000013145584 555342966 /nfs/dbraw/zinc/34/29/66/555342966.db2.gz MEXZDRKOTKPHTL-FMIVXFBMSA-N 1 0 483.479 5.645 50 0 JKAARO CCCOc1ccc([C@@H]2[NH2+]C[C@@H](c3cccc(OC)c3OC)c3c4ccccc4[nH]c32)cc1OC ZINC000013145650 555343210 /nfs/dbraw/zinc/34/32/10/555343210.db2.gz QVDFNNCSZWTCHY-IDISGSTGSA-N 1 0 472.585 5.807 50 0 JKAARO COc1cc(Cl)c(C)cc1NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C1CC[NH2+]CC1 ZINC000009639593 555348991 /nfs/dbraw/zinc/34/89/91/555348991.db2.gz LFVCLYQSEATORR-UHFFFAOYSA-N 1 0 459.377 5.215 50 0 JKAARO CCOC(=O)c1c2c(sc1NC(=O)c1ccccc1Br)C(C)(C)[NH2+]C(C)(C)C2 ZINC000009639800 555349052 /nfs/dbraw/zinc/34/90/52/555349052.db2.gz JEFHDRLDNQFYSZ-UHFFFAOYSA-N 1 0 465.413 5.099 50 0 JKAARO COc1ccc2[nH+]c(C)cc(N3CCN(C(c4ccc(F)cc4)c4ccc(F)cc4)CC3)c2c1 ZINC000013165319 555368512 /nfs/dbraw/zinc/36/85/12/555368512.db2.gz FLOZBJXTOWAAEC-UHFFFAOYSA-N 1 0 459.540 5.742 50 0 JKAARO O=C(c1cc(-c2ccncc2)nc2ccc(Cl)cc21)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000013321655 555376058 /nfs/dbraw/zinc/37/60/58/555376058.db2.gz GQLYHYAUOYNZPN-UHFFFAOYSA-N 1 0 487.047 5.677 50 0 JKAARO Cc1ccc(-c2onc3ccc(C(=O)NCC4CC[NH+](Cc5ccccc5F)CC4)cc32)cc1 ZINC000009581543 555388160 /nfs/dbraw/zinc/38/81/60/555388160.db2.gz AJAUZEGTCKBITO-UHFFFAOYSA-N 1 0 457.549 5.584 50 0 JKAARO C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000013369215 555390854 /nfs/dbraw/zinc/39/08/54/555390854.db2.gz ZLHRUKLIPGOTRB-FQEVSTJZSA-N 1 0 473.020 5.699 50 0 JKAARO C[C@@H](C(=O)NCCC[N@H+](C)C1CCCCC1)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000013369289 555391021 /nfs/dbraw/zinc/39/10/21/555391021.db2.gz SYZPWRURXBRPGX-IBGZPJMESA-N 1 0 453.030 5.689 50 0 JKAARO CC(C)C[NH+](CCNC(=O)[C@@H](C)n1nc(-c2ccccc2)c2cc(Cl)ccc21)CC(C)C ZINC000013369307 555391063 /nfs/dbraw/zinc/39/10/63/555391063.db2.gz XJQMMQGVKCEWLC-HXUWFJFHSA-N 1 0 455.046 5.648 50 0 JKAARO COc1ccc(Nc2cc(C(=O)NCCC[NH+](CC(C)C)CC(C)C)c3ccccc3n2)cc1 ZINC000009680583 555408499 /nfs/dbraw/zinc/40/84/99/555408499.db2.gz SGSFRPXEGARJCL-UHFFFAOYSA-N 1 0 462.638 5.721 50 0 JKAARO COc1ccc(Nc2cc(C(=O)NCCC[NH+]3C[C@@H](C)C[C@H](C)C3)c3ccccc3n2)c(OC)c1 ZINC000009680666 555408540 /nfs/dbraw/zinc/40/85/40/555408540.db2.gz CERLAXXOQDJKDM-PMACEKPBSA-N 1 0 476.621 5.093 50 0 JKAARO CCCC[N@H+](CC)CCCNC(=O)c1cc(Nc2ccc(OC)cc2OC)nc2ccccc21 ZINC000009680658 555408558 /nfs/dbraw/zinc/40/85/58/555408558.db2.gz OFWLPPBQSOPXFM-UHFFFAOYSA-N 1 0 464.610 5.238 50 0 JKAARO COc1ccc(Nc2cc(C(=O)NCCC[NH+]3C[C@H](C)C[C@@H](C)C3)c3ccccc3n2)c(OC)c1 ZINC000009680667 555408572 /nfs/dbraw/zinc/40/85/72/555408572.db2.gz CERLAXXOQDJKDM-WOJBJXKFSA-N 1 0 476.621 5.093 50 0 JKAARO CCCC[N@H+](CC)Cc1ccc(CNS(=O)(=O)c2cc3[nH]c4c(c3cc2C)C(=O)CC(C)(C)C4)o1 ZINC000009685621 555414261 /nfs/dbraw/zinc/41/42/61/555414261.db2.gz SLWJBJKHQHRDBT-UHFFFAOYSA-N 1 0 499.677 5.325 50 0 JKAARO CC[N@H+](CCCNC(=O)c1cc2c(-c3ccccc3F)nn(C)c2s1)Cc1ccccc1 ZINC000009693080 555422382 /nfs/dbraw/zinc/42/23/82/555422382.db2.gz CKYFVMHTCHMRSA-UHFFFAOYSA-N 1 0 450.583 5.083 50 0 JKAARO CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)c2cc3c(-c4ccccc4F)nn(C)c3s2)cc1 ZINC000009693097 555422524 /nfs/dbraw/zinc/42/25/24/555422524.db2.gz YJQGAXPXZHAUSY-UHFFFAOYSA-N 1 0 494.592 5.192 50 0 JKAARO Cc1oc(-c2ccc(Cl)cc2)nc1C[NH+]1CCC(C(=O)NCCCN(C)c2ccccc2)CC1 ZINC000009693915 555423640 /nfs/dbraw/zinc/42/36/40/555423640.db2.gz FHQCVGGSZYDSPB-UHFFFAOYSA-N 1 0 481.040 5.158 50 0 JKAARO CCC1=Nc2cc(C(=O)NCCC[N@@H+](CC)Cc3ccccc3)ccc2Sc2ccc(C)cc21 ZINC000009608321 555435408 /nfs/dbraw/zinc/43/54/08/555435408.db2.gz AFBFQWVMUFMEPJ-UHFFFAOYSA-N 1 0 471.670 6.632 50 0 JKAARO CCC1=Nc2cc(C(=O)NCC[N@@H+]([C@@H](C)CC)C3CCCCC3)ccc2Sc2ccc(C)cc21 ZINC000009608329 555435448 /nfs/dbraw/zinc/43/54/48/555435448.db2.gz MURFXZWJYJHFFG-NRFANRHFSA-N 1 0 477.718 7.153 50 0 JKAARO Cc1nn2c(nc(C)c(CCC(=O)Nc3ccc(C[NH+]4CCCC4)cc3)c2C)c1-c1ccc(F)cc1 ZINC000009609418 555437707 /nfs/dbraw/zinc/43/77/07/555437707.db2.gz ISSJQZVBODSZLV-UHFFFAOYSA-N 1 0 485.607 5.628 50 0 JKAARO Cc1nn(-c2ccccc2)c2nc(C)c(CCC(=O)NC3CC[NH+](Cc4ccccc4)CC3)c(C)c12 ZINC000009610208 555439989 /nfs/dbraw/zinc/43/99/89/555439989.db2.gz PPZCTQVRVPVLOJ-UHFFFAOYSA-N 1 0 481.644 5.059 50 0 JKAARO COc1ccc(Nc2c3cc(NC(=O)c4ccncc4)ccc3[nH+]c3c2CCCC3)cc1OC ZINC000009612245 555444716 /nfs/dbraw/zinc/44/47/16/555444716.db2.gz UDGJXXAZXOYDMA-UHFFFAOYSA-N 1 0 454.530 5.522 50 0 JKAARO COc1ccc(Nc2c3cc(NC(=O)C4CCCCC4)ccc3[nH+]c3c2CCCC3)cc1OC ZINC000009612255 555444879 /nfs/dbraw/zinc/44/48/79/555444879.db2.gz OLXOMNJHGUBKNZ-UHFFFAOYSA-N 1 0 459.590 6.393 50 0 JKAARO Cc1oc(-c2cccc(Br)c2)nc1C[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@@H]2C)CC1 ZINC000009731774 555468637 /nfs/dbraw/zinc/46/86/37/555468637.db2.gz LGMBVDGBBAEPBH-HRAATJIYSA-N 1 0 474.443 5.319 50 0 JKAARO CC[NH+](CC)CCNc1nc(SC)nc2c3c4c(c(-c5ccccc5)nc3sc21)CCC4 ZINC000013511882 555483545 /nfs/dbraw/zinc/48/35/45/555483545.db2.gz OFLXZKZXULYXME-UHFFFAOYSA-N 1 0 463.676 5.871 50 0 JKAARO COc1cccc(NC(=S)N(CCC[NH+]2CCCC2)Cc2cccn2Cc2ccc(Cl)cc2)c1 ZINC000013543586 555489487 /nfs/dbraw/zinc/48/94/87/555489487.db2.gz JKUNUPFGZSGECC-UHFFFAOYSA-N 1 0 497.108 5.883 50 0 JKAARO Cc1ccc(NC(=S)N(CCC[NH+]2CCCC2)Cc2cccn2Cc2ccc(Cl)cc2)cc1 ZINC000013543565 555489507 /nfs/dbraw/zinc/48/95/07/555489507.db2.gz SCAPUKMLNDPVEH-UHFFFAOYSA-N 1 0 481.109 6.183 50 0 JKAARO CC(C)[NH+]1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(Sc4ccccc4)cc3)=NN12 ZINC000013553115 555493242 /nfs/dbraw/zinc/49/32/42/555493242.db2.gz LPSXHJJKFPWBMV-MHZLTWQESA-N 1 0 469.654 6.582 50 0 JKAARO COc1ccc(Nc2c3cc(NC(=O)c4ccccn4)ccc3[nH+]c3c2CCCC3)cc1OC ZINC000009777111 555495641 /nfs/dbraw/zinc/49/56/41/555495641.db2.gz YYIUVSASEPHNIP-UHFFFAOYSA-N 1 0 454.530 5.522 50 0 JKAARO Cc1ccc(N2CC[NH+](C[C@H](O)COc3ccc4cc(Br)ccc4c3)CC2)cc1Cl ZINC000019831903 555505643 /nfs/dbraw/zinc/50/56/43/555505643.db2.gz UUMUORSYBIIBJE-QFIPXVFZSA-N 1 0 489.841 5.126 50 0 JKAARO O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000019831914 555505757 /nfs/dbraw/zinc/50/57/57/555505757.db2.gz HHBYRLADBCSSKM-UHFFFAOYSA-N 1 0 468.984 6.943 50 0 JKAARO Cc1[nH]c2c(ccc(Cl)c2Cl)c1CC[NH2+]C1(c2nnnn2-c2c(C)cccc2C)CCCCC1 ZINC000019848431 555509803 /nfs/dbraw/zinc/50/98/03/555509803.db2.gz ALJOEICLPACAFG-UHFFFAOYSA-N 1 0 497.474 6.367 50 0 JKAARO CCOC(=O)c1ccc(NC(=S)N(CCC[N@@H+]2CCC[C@@H](C)C2)Cc2cccs2)cc1 ZINC000013573234 555511803 /nfs/dbraw/zinc/51/18/03/555511803.db2.gz WGUONRVNSOJLRI-LJQANCHMSA-N 1 0 459.681 5.246 50 0 JKAARO Cc1cc(OCc2nc3c4c5c(sc4ncn3n2)C(C)(C)[NH2+]C(C)(C)C5)c(C(C)C)cc1Cl ZINC000019854901 555512155 /nfs/dbraw/zinc/51/21/55/555512155.db2.gz UMSWMXSJYALJMA-UHFFFAOYSA-N 1 0 484.069 6.163 50 0 JKAARO O=C(C1CC[NH+](Cc2cccc(Oc3ccccc3)c2)CC1)N1CCN(c2ccccc2F)CC1 ZINC000009805406 555517289 /nfs/dbraw/zinc/51/72/89/555517289.db2.gz SEMQSERPORJQTL-UHFFFAOYSA-N 1 0 473.592 5.179 50 0 JKAARO CSc1ccccc1N1CC[NH+](CCCCCC(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000013586566 555524410 /nfs/dbraw/zinc/52/44/10/555524410.db2.gz JNBBJUHCODFLEG-DEOSSOPVSA-N 1 0 451.680 5.285 50 0 in-vitro JKAARO CCCCCCOc1ccc(N2C(=O)C[C@H](N3CCC(CC[NH+]4CCC(C)CC4)CC3)C2=O)cc1 ZINC000019890141 555529434 /nfs/dbraw/zinc/52/94/34/555529434.db2.gz UZOSVQBRMOEBOE-MHZLTWQESA-N 1 0 483.697 5.112 50 0 JKAARO Cc1cc(Oc2coc3cc(OC[C@H](O)C[NH+]4CCCCC4)ccc3c2=O)cc(C)c1Cl ZINC000009833277 555535575 /nfs/dbraw/zinc/53/55/75/555535575.db2.gz GCHXUELHYMUYPT-GOSISDBHSA-N 1 0 457.954 5.081 50 0 JKAARO O[C@@]1(c2ccc(Br)cc2)CN2CCCCCC2=[N+]1c1cccc(C(F)(F)F)c1 ZINC000019909094 555537115 /nfs/dbraw/zinc/53/71/15/555537115.db2.gz JOSYBHUUYCTSMP-HXUWFJFHSA-N 1 0 454.310 5.118 50 0 JKAARO CC1(C)C[C@@](CC[NH+]2CCC(Cc3ccccc3)CC2)(c2cccc(C(F)(F)F)c2)CCO1 ZINC000013623447 555537874 /nfs/dbraw/zinc/53/78/74/555537874.db2.gz CICMBTCEZKLVBA-MHZLTWQESA-N 1 0 459.596 6.877 50 0 JKAARO COc1cc2[nH+]cc(C(=O)c3ccc(C)cc3)c(N3CCN(c4ccccc4)CC3)c2cc1OC ZINC000009834676 555538662 /nfs/dbraw/zinc/53/86/62/555538662.db2.gz SKKUPWBTWIAVDC-UHFFFAOYSA-N 1 0 467.569 5.118 50 0 JKAARO Cc1cccc(N2C(=O)[C@H](Oc3ccc(Cl)cc3Cl)[C@H]2C[NH2+]CCc2ccccc2)c1C ZINC000009835534 555540410 /nfs/dbraw/zinc/54/04/10/555540410.db2.gz AYUACYNLOBYABF-ILBGXUMGSA-N 1 0 469.412 5.605 50 0 JKAARO CCCCN(Cc1ccccc1)C(=O)C1CC[NH+](Cc2cccc(OCc3ccccc3)c2)CC1 ZINC000009849408 555551468 /nfs/dbraw/zinc/55/14/68/555551468.db2.gz MIQGIJHHIYGFKT-UHFFFAOYSA-N 1 0 470.657 6.307 50 0 JKAARO CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)c2ccc3c(c2)nc2c(c3Cl)CCC2)cc1 ZINC000009858154 555559699 /nfs/dbraw/zinc/55/96/99/555559699.db2.gz FMYDNQQLSPBXHH-UHFFFAOYSA-N 1 0 465.981 5.128 50 0 JKAARO c1ccc(C(c2ccccc2)N2CC[NH+](CCCCOc3cccc4ccccc43)CC2)cc1 ZINC000019947649 555563785 /nfs/dbraw/zinc/56/37/85/555563785.db2.gz ONIVDAXMTPEOHK-UHFFFAOYSA-N 1 0 450.626 6.406 50 0 JKAARO Cc1ccc(CN2CCSc3ccc(C(=O)NCCC[NH+]4[C@@H](C)CCC[C@@H]4C)cc32)cc1 ZINC000009962577 555565512 /nfs/dbraw/zinc/56/55/12/555565512.db2.gz NIXAFPMCJGRIMV-VXKWHMMOSA-N 1 0 451.680 5.490 50 0 JKAARO C[C@H]1CCC[C@H](C)[NH+]1CCCNC(=O)CCCn1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000009969976 555567327 /nfs/dbraw/zinc/56/73/27/555567327.db2.gz MPDDYXWAEMPUPC-SFTDATJTSA-N 1 0 467.057 5.906 50 0 JKAARO O=C(OC[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1nn2c(nc(-c3ccco3)cc2C(F)(F)F)c1Cl ZINC000009972276 555571620 /nfs/dbraw/zinc/57/16/20/555571620.db2.gz ISTQUAPICYMORV-UKRRQHHQSA-N 1 0 482.890 5.083 50 0 JKAARO c1ccc(C(c2ccccc2)[NH+]2CCN(c3nc(-c4ccncc4)nc4ccccc43)CC2)cc1 ZINC000019996384 555576969 /nfs/dbraw/zinc/57/69/69/555576969.db2.gz XUBPVHHWYFSOLP-UHFFFAOYSA-N 1 0 457.581 5.603 50 0 JKAARO [NH2+]=C1Nc2nc3ccccc3n2[C@@H](c2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)N1 ZINC000010059078 555609063 /nfs/dbraw/zinc/60/90/63/555609063.db2.gz KKRHQNSGMQFWRG-IZLXSDGUSA-N 1 0 483.579 5.679 50 0 JKAARO Clc1ccccc1-c1nc2ccccc2c(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000013756755 555610782 /nfs/dbraw/zinc/61/07/82/555610782.db2.gz LEYRTDSNWPNSNC-UHFFFAOYSA-N 1 0 491.038 6.862 50 0 JKAARO C[NH+](C)CC1=C(c2ccccc2)N(Nc2ccccc2)C[C@H](C(=O)c2ccccc2)[C@@H]1c1ccccc1 ZINC000013757291 555611167 /nfs/dbraw/zinc/61/11/67/555611167.db2.gz COEQIRLCQCRSGI-IOWSJCHKSA-N 1 0 487.647 6.585 50 0 JKAARO CC[NH+](CC)CCN(C(=O)/C=C/c1cccs1)c1nc2ccc(Br)cc2s1 ZINC000010066591 555614047 /nfs/dbraw/zinc/61/40/47/555614047.db2.gz HBUXDBZMRRQNSI-CSKARUKUSA-N 1 0 464.454 5.509 50 0 JKAARO CC[NH+](CC)CCN(C(=O)c1ccc2c(c1)CCCC2)c1nc2cc(OC)c(OC)cc2s1 ZINC000010067006 555614297 /nfs/dbraw/zinc/61/42/97/555614297.db2.gz ROPANXLLIIQKHB-UHFFFAOYSA-N 1 0 467.635 5.181 50 0 JKAARO C[C@H]1CCCC[N@@H+]1C[C@@H](O)Cn1c(-c2ccccc2)c(-c2ccccc2)c2ccc3ccccc3c21 ZINC000020059516 555622646 /nfs/dbraw/zinc/62/26/46/555622646.db2.gz JGADKEHTISWKSV-RBJSKKJNSA-N 1 0 474.648 7.364 50 0 JKAARO S=C(Nc1ccc(Oc2ccccc2)cc1)N(CCC[NH+]1CCCCC1)Cc1cccs1 ZINC000020107681 555641839 /nfs/dbraw/zinc/64/18/39/555641839.db2.gz RTXCYRVAGYRSFW-UHFFFAOYSA-N 1 0 465.688 6.615 50 0 JKAARO CC[NH+]1CCN(CCCN(Cc2ccco2)C(=S)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC000020107711 555641942 /nfs/dbraw/zinc/64/19/42/555641942.db2.gz HRRDWSIFXZZNLX-UHFFFAOYSA-N 1 0 478.662 5.299 50 0 JKAARO C[C@H](CCc1ccccc1)N1C(=O)C2=C(CCCC2)[C@@H]1OC1CC[NH+](Cc2ccccc2)CC1 ZINC000013896774 555644203 /nfs/dbraw/zinc/64/42/03/555644203.db2.gz AXGWTWRIKVAAQZ-DJUQAAIZSA-N 1 0 458.646 5.728 50 0 JKAARO COc1ccc(C(C)=O)cc1CSc1nc2ccccc2c(=O)n1CC[NH+](C(C)C)C(C)C ZINC000010216520 555649088 /nfs/dbraw/zinc/64/90/88/555649088.db2.gz WPKWOWQZHCZGFG-UHFFFAOYSA-N 1 0 467.635 5.019 50 0 JKAARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH+]4CCN(C(c5ccccc5)c5ccccc5)CC4)[C@H]3C=C12 ZINC000020112186 555649318 /nfs/dbraw/zinc/64/93/18/555649318.db2.gz NBJASNUKULGOJS-YETYPGTRSA-N 1 0 484.684 5.708 50 0 biogenic JKAARO CC1=CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH+]4CCN(C(c5ccccc5)c5ccccc5)CC4)[C@H]3C=C12 ZINC000020112197 555649346 /nfs/dbraw/zinc/64/93/46/555649346.db2.gz MFRKKZWZFLPJOP-UUEOAETPSA-N 1 0 482.668 5.628 50 0 biogenic JKAARO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@H]3c1ccc(OC)c(COc2ccc(Br)cc2)c1 ZINC000020112899 555650619 /nfs/dbraw/zinc/65/06/19/555650619.db2.gz XWXIBZTZTSLCSL-RUZDIDTESA-N 1 0 493.401 5.762 50 0 biogenic JKAARO CC(C)[C@H](NC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000020116152 555653643 /nfs/dbraw/zinc/65/36/43/555653643.db2.gz ZWUOJRFJVADCIJ-MCKPQKFISA-N 1 0 493.736 5.290 50 0 JKAARO CC[NH+]1CCN(c2cc(C)c3cc(NC(=S)N4CCC(Cc5ccccc5)CC4)ccc3n2)CC1 ZINC000020153530 555672785 /nfs/dbraw/zinc/67/27/85/555672785.db2.gz ZXRYNDXTSYALAE-UHFFFAOYSA-N 1 0 487.717 5.337 50 0 JKAARO O=C(COc1ccc(C2SCCCS2)cc1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000010282244 555672877 /nfs/dbraw/zinc/67/28/77/555672877.db2.gz DAOBMSHMRKUVNC-UHFFFAOYSA-N 1 0 456.677 5.236 50 0 JKAARO CC1=Nc2cc(C(=O)NCCC[NH+]3C[C@H](C)C[C@@H](C)C3)ccc2Sc2ccc(Cl)cc21 ZINC000020178874 555684338 /nfs/dbraw/zinc/68/43/38/555684338.db2.gz MEXZJMPUGNKWBQ-IAGOWNOFSA-N 1 0 456.055 6.043 50 0 JKAARO CC1=Nc2cc(C(=O)NCCC[NH+]3[C@H](C)CCC[C@H]3C)ccc2Sc2ccc(Cl)cc21 ZINC000020178890 555684446 /nfs/dbraw/zinc/68/44/46/555684446.db2.gz FSKNGZBLNIYLIQ-IAGOWNOFSA-N 1 0 456.055 6.328 50 0 JKAARO Cc1ccccc1/C=C1\Sc2ccc(C(=O)NCCC[NH+]3C[C@H](C)C[C@@H](C)C3)cc2N(C)C1=O ZINC000020180147 555686420 /nfs/dbraw/zinc/68/64/20/555686420.db2.gz GXZSORODJPBZCV-IGGMCDFMSA-N 1 0 477.674 5.202 50 0 JKAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccc3c(c2)N(C)C(=O)/C(=C/c2ccccc2Cl)S3)C1 ZINC000020180382 555686665 /nfs/dbraw/zinc/68/66/65/555686665.db2.gz YMZJPDHUGGCWLL-SMTYBQBFSA-N 1 0 498.092 5.547 50 0 JKAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)CN1C(=O)/C(=C\c2ccc(Cl)cc2)Sc2ccccc21 ZINC000020181389 555688156 /nfs/dbraw/zinc/68/81/56/555688156.db2.gz ZRRISUYAKOATCX-QUESDIRFSA-N 1 0 484.065 5.201 50 0 JKAARO CCc1ccc(/C=C2/Sc3ccccc3N(CC(=O)NCCC[NH+]3C[C@H](C)C[C@@H](C)C3)C2=O)cc1 ZINC000020181664 555689229 /nfs/dbraw/zinc/68/92/29/555689229.db2.gz RFQXIKDFSPDZHX-MBEOZBFASA-N 1 0 491.701 5.213 50 0 JKAARO Cc1cc(N2CCCC2)nc2ccc(NC(=S)NC3CC[NH+](Cc4ccccc4)CC3)cc12 ZINC000020183143 555689927 /nfs/dbraw/zinc/68/99/27/555689927.db2.gz WVJLUNFRHDLNOO-UHFFFAOYSA-N 1 0 459.663 5.094 50 0 JKAARO CCCC[NH+](CCCC)CCNC(=O)c1cc(Nc2ccc(OC)c(OC)c2)nc2ccccc21 ZINC000020212192 555705383 /nfs/dbraw/zinc/70/53/83/555705383.db2.gz LOXZDRLUQNOZBH-UHFFFAOYSA-N 1 0 478.637 5.628 50 0 JKAARO CCc1ccc(-c2cc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)c3cc(C)ccc3n2)cc1 ZINC000020212656 555705930 /nfs/dbraw/zinc/70/59/30/555705930.db2.gz IEIHOPVZAAIUQU-UHFFFAOYSA-N 1 0 463.625 6.167 50 0 JKAARO CCc1ccc(-c2cc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)c3ccc(Cl)c(C)c3n2)cc1 ZINC000020212710 555706227 /nfs/dbraw/zinc/70/62/27/555706227.db2.gz CTMLPBXVIPLDRA-UHFFFAOYSA-N 1 0 498.070 6.820 50 0 JKAARO CCc1ccc(-c2cc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)c3cccc(Cl)c3n2)cc1 ZINC000020212803 555706241 /nfs/dbraw/zinc/70/62/41/555706241.db2.gz GCLDBJLZRIQJJM-UHFFFAOYSA-N 1 0 484.043 6.512 50 0 JKAARO COc1ccc(NC(C)=O)cc1NC(=O)C[NH2+][C@@H](c1ccc(C2CCCCC2)cc1)C(C)C ZINC000014141524 555706789 /nfs/dbraw/zinc/70/67/89/555706789.db2.gz OCSQXCXIMWQNIZ-HHHXNRCGSA-N 1 0 451.611 5.627 50 0 JKAARO CC1CC[NH+](CC(=O)N2N=C(c3ccco3)C[C@@H]2c2cn(-c3ccccc3)nc2-c2ccccc2)CC1 ZINC000010435189 555710058 /nfs/dbraw/zinc/71/00/58/555710058.db2.gz ZEYBCPJIDABDPK-HHHXNRCGSA-N 1 0 493.611 5.542 50 0 JKAARO Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)cc(-c2ccccc2)n1CCC[NH+]1CCOCC1 ZINC000020224140 555718108 /nfs/dbraw/zinc/71/81/08/555718108.db2.gz NCZYSQOTAYFTNM-UHFFFAOYSA-N 1 0 471.523 5.457 50 0 in-vitro JKAARO COc1ccc(-c2nc(C[NH+]3CCC(C(=O)N[C@@H](C)CCc4ccccc4)CC3)c(C)o2)cc1OC ZINC000020240699 555736088 /nfs/dbraw/zinc/73/60/88/555736088.db2.gz CBAKSZNTAPTVAB-FQEVSTJZSA-N 1 0 491.632 5.017 50 0 JKAARO Cc1oc(-c2ccc(Cl)cc2)nc1C[NH+]1CCC(C(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000020240721 555736106 /nfs/dbraw/zinc/73/61/06/555736106.db2.gz MBYYEPXDLJUCOC-XMMPIXPASA-N 1 0 464.009 5.709 50 0 JKAARO C[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(CCCNC(=O)/C=C/c2cccc(C(F)(F)F)c2)CC1 ZINC000020241388 555736778 /nfs/dbraw/zinc/73/67/78/555736778.db2.gz BRZHXABSYVVAHO-PVAWZGFLSA-N 1 0 465.604 5.200 50 0 JKAARO Cc1nn(-c2ccc(C)c(C)c2)c2nc(C)c(CCC(=O)N3CC[NH+](C4CCCCC4)CC3)c(C)c12 ZINC000020282941 555752860 /nfs/dbraw/zinc/75/28/60/555752860.db2.gz AWFKXMVAARRGFN-UHFFFAOYSA-N 1 0 487.692 5.372 50 0 JKAARO Cc1ccc2oc(=O)c3cc(C(=O)NCCC[NH+]4CCC(Cc5ccccc5)CC4)sc3c2c1 ZINC000020329230 555775230 /nfs/dbraw/zinc/77/52/30/555775230.db2.gz GISRSSRRPNCDQX-UHFFFAOYSA-N 1 0 474.626 5.391 50 0 JKAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(/C=C2/Oc3ccccc3N(Cc3cccc(C)c3)C2=O)cc1 ZINC000020355190 555782699 /nfs/dbraw/zinc/78/26/99/555782699.db2.gz KXTHRFIBIWNSHG-QICHVEDASA-N 1 0 495.623 5.176 50 0 JKAARO Cc1c(C(=O)NCCC[NH+]2[C@H](C)CCC[C@H]2C)oc2ccc3c(c12)[C@H](O)CC1(CCCCC1)O3 ZINC000020413366 555790649 /nfs/dbraw/zinc/79/06/49/555790649.db2.gz QTJSTJWVVPXYCA-SFHLNBCPSA-N 1 0 468.638 5.643 50 0 biogenic JKAARO CCCOc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CC[NH+](CC)CC)cc1OC ZINC000011614713 555791337 /nfs/dbraw/zinc/79/13/37/555791337.db2.gz JGVSAASEEBLNCC-DEOSSOPVSA-N 1 0 499.007 5.131 50 0 JKAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1 ZINC000020508729 555792072 /nfs/dbraw/zinc/79/20/72/555792072.db2.gz VVZIVQNXIXNZMG-RFLWCCGPSA-N 1 0 479.690 5.352 50 0 JKAARO CC(C)CC[C@@H](NC(=O)NCc1ccccc1)c1c2c(sc1-n1cccc1)C[N@@H+](C)CC2 ZINC000020532181 555800816 /nfs/dbraw/zinc/80/08/16/555800816.db2.gz JABICFYXMPDGGP-JOCHJYFZSA-N 1 0 450.652 5.503 50 0 JKAARO CCc1ccc(NC(=O)N[C@@H](CCC(C)C)c2c3c(sc2-n2cccc2)C[N@H+](CC)CC3)cc1 ZINC000020532188 555800837 /nfs/dbraw/zinc/80/08/37/555800837.db2.gz MOQBHJKTACHMBQ-DEOSSOPVSA-N 1 0 478.706 6.778 50 0 JKAARO CC[N@@H+]1CCc2c(sc(-n3cccc3)c2[C@H](CCC(C)C)NC(=O)Nc2ccc(C)c(Cl)c2)C1 ZINC000020532190 555800887 /nfs/dbraw/zinc/80/08/87/555800887.db2.gz UYFOAHUHBORALD-QHCPKHFHSA-N 1 0 499.124 7.178 50 0 JKAARO CC[N@@H+]1CCc2c(sc(-n3cccc3)c2[C@@H](CCC(C)C)NC(=O)Nc2ccc(C)cc2C)C1 ZINC000020532199 555800971 /nfs/dbraw/zinc/80/09/71/555800971.db2.gz JUMQZWKSRUPXDG-XMMPIXPASA-N 1 0 478.706 6.833 50 0 JKAARO CC[N@@H+]1CCc2c(sc(-n3cccc3)c2[C@H](C)NC(=O)Nc2ccccc2Br)C1 ZINC000020532236 555801140 /nfs/dbraw/zinc/80/11/40/555801140.db2.gz YMGCQDIFFZUTCU-HNNXBMFYSA-N 1 0 473.440 5.562 50 0 JKAARO CC[N@@H+]1CCc2c(sc(-n3cccc3)c2[C@H](C)NC(=O)Nc2ccc(Br)c(C)c2)C1 ZINC000020532248 555801174 /nfs/dbraw/zinc/80/11/74/555801174.db2.gz ATGBNPYKOIJJLY-INIZCTEOSA-N 1 0 487.467 5.870 50 0 JKAARO CCOCCCNC(=O)N[C@H](CCC(C)C)c1c2c(sc1-n1cccc1)C[N@@H+](CC)CC2 ZINC000020532208 555801187 /nfs/dbraw/zinc/80/11/87/555801187.db2.gz BWYZFVSZPXLGIR-OAQYLSRUSA-N 1 0 460.688 5.120 50 0 JKAARO CC[C@H](NC(=O)Nc1cc(C)ccc1OC)c1c2c(sc1-n1cccc1)C[N@@H+](CC)CC2 ZINC000020532224 555801275 /nfs/dbraw/zinc/80/12/75/555801275.db2.gz SERZXRBTGGVFSU-IBGZPJMESA-N 1 0 452.624 5.507 50 0 JKAARO CC[N@@H+]1CCc2c(sc(-n3cccc3)c2[C@H](CCC(C)C)NC(=O)NCc2ccc(C)cc2)C1 ZINC000020532210 555801377 /nfs/dbraw/zinc/80/13/77/555801377.db2.gz DHKOSQDIEVGQFP-DEOSSOPVSA-N 1 0 478.706 6.202 50 0 JKAARO Cc1ccc(CN(C(=O)Nc2ccccc2C(F)(F)F)C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000020532297 555801662 /nfs/dbraw/zinc/80/16/62/555801662.db2.gz YGXHSWABMYWPDI-UHFFFAOYSA-N 1 0 471.523 6.306 50 0 JKAARO Cc1ccc2ccccc2c1C[NH+]1CCN(c2cc(C(C)(C)C)nc3c(-c4ccccc4)cnn32)CC1 ZINC000020533375 555804854 /nfs/dbraw/zinc/80/48/54/555804854.db2.gz XKJKDBQUAVXPRA-UHFFFAOYSA-N 1 0 489.667 6.478 50 0 JKAARO O=C1CC[C@H](CC[NH2+]Cc2cccc(C(F)(F)F)c2)N1CCc1nc(-c2ccccc2)cs1 ZINC000011784441 555815835 /nfs/dbraw/zinc/81/58/35/555815835.db2.gz ADMWNPJKQABWEQ-OAQYLSRUSA-N 1 0 473.564 5.542 50 0 JKAARO O=C1CC[C@@H](CC[NH2+]Cc2cccc(C(F)(F)F)c2)N1CCc1nc(-c2ccccc2)cs1 ZINC000011784440 555815885 /nfs/dbraw/zinc/81/58/85/555815885.db2.gz ADMWNPJKQABWEQ-NRFANRHFSA-N 1 0 473.564 5.542 50 0 JKAARO CC(C)NC(=O)[C@@H]1C[C@H](Sc2nc3ccccc3[nH]2)C[N@@H+]1Cc1ccc2c(c1)Cc1ccccc1-2 ZINC000011784843 555816581 /nfs/dbraw/zinc/81/65/81/555816581.db2.gz XZDDQWVNEOLIND-CUNXSJBXSA-N 1 0 482.653 5.394 50 0 JKAARO COc1ccc2cc(CN(CC[NH+](C)C)C(=O)c3ccc(C)cc3)c(-c3cccs3)nc2c1 ZINC000011786161 555819071 /nfs/dbraw/zinc/81/90/71/555819071.db2.gz JTRFEWAAMXNAHM-UHFFFAOYSA-N 1 0 459.615 5.484 50 0 JKAARO O=C(NCc1cccnc1)c1ccc(N2CCC([NH2+]CC[C@@H](c3ccco3)c3ccccc3)CC2)cc1 ZINC000011790224 555826053 /nfs/dbraw/zinc/82/60/53/555826053.db2.gz CLPJENQMYAPHEX-GDLZYMKVSA-N 1 0 494.639 5.385 50 0 JKAARO O=C(Nc1cccc(N2CCC([NH2+]CC[C@H](c3ccco3)c3ccccc3)CC2)c1)c1cccnc1 ZINC000011790644 555826917 /nfs/dbraw/zinc/82/69/17/555826917.db2.gz CCLNOQVEZJHIJC-NDEPHWFRSA-N 1 0 480.612 5.708 50 0 JKAARO CSc1ccc(C[NH+]2CCC3(CC2)C(=O)N(CCCc2ccncc2)C(=O)N3CCC(C)C)cc1 ZINC000014539338 555828952 /nfs/dbraw/zinc/82/89/52/555828952.db2.gz AEMMXBKFCBWALU-UHFFFAOYSA-N 1 0 494.705 5.081 50 0 JKAARO O=C([C@@H]1C[C@H](COc2ccc3c(c2)CCC3)C[N@H+](Cc2ccc3ccccc3c2)C1)N1CCCC1 ZINC000014539573 555829359 /nfs/dbraw/zinc/82/93/59/555829359.db2.gz MWLKGPBAWAXKEX-PWUYWRBVSA-N 1 0 468.641 5.468 50 0 JKAARO CC(C)=CCC[C@@H](C)C[NH+]1CCC2(CC1)C(=O)N(Cc1cccnc1)C(=O)N2CCc1ccccc1 ZINC000014539672 555829660 /nfs/dbraw/zinc/82/96/60/555829660.db2.gz BUYORUMNKVKTKT-RUZDIDTESA-N 1 0 488.676 5.306 50 0 JKAARO Clc1ccccc1C[NH+]1CCC(c2nnc(SC[C@H]3CCCO3)n2Cc2ccccc2)CC1 ZINC000011816138 555830865 /nfs/dbraw/zinc/83/08/65/555830865.db2.gz YKMDLLXSNHAFOG-HSZRJFAPSA-N 1 0 483.081 5.631 50 0 JKAARO C/C(=C\c1ccccc1)C[NH+]1CCC2(C[C@@H]2C(=O)NCC2(c3ccccc3)CCOCC2)CC1 ZINC000011840526 555833175 /nfs/dbraw/zinc/83/31/75/555833175.db2.gz NNACXUMGQZGTBL-JJYYUJSISA-N 1 0 458.646 5.057 50 0 JKAARO CN(Cc1ccoc1)C(=O)[C@@H]1C[C@@H](Sc2nc3ccccc3[nH]2)C[N@@H+]1Cc1cccc2ccccc21 ZINC000011840524 555833207 /nfs/dbraw/zinc/83/32/07/555833207.db2.gz RDBPQDKUDBVAEE-KCWPFWIISA-N 1 0 496.636 5.703 50 0 JKAARO C/C(=C\c1ccco1)C[NH+]1CCC2(CC1)C(=O)N(Cc1ccccc1)C(=O)N2CCc1ccccc1 ZINC000014543025 555834044 /nfs/dbraw/zinc/83/40/44/555834044.db2.gz JSZINKQFAJYZDH-DARPEHSRSA-N 1 0 483.612 5.225 50 0 JKAARO O=C(NCc1ccccc1C(F)(F)F)[C@@H]1CC12CC[NH+](Cc1c[nH]nc1-c1ccc(F)cc1)CC2 ZINC000011841862 555834501 /nfs/dbraw/zinc/83/45/01/555834501.db2.gz NMLKHYRATKCYRU-QFIPXVFZSA-N 1 0 486.513 5.153 50 0 JKAARO CC(C)[N@H+](CCCNC(=O)c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2)Cc1ccccc1 ZINC000020597935 555840142 /nfs/dbraw/zinc/84/01/42/555840142.db2.gz OJMDAGHJAIVIHA-UHFFFAOYSA-N 1 0 498.671 5.554 50 0 JKAARO COc1cc(C[NH+]2CCC3(C[C@@H]3C(=O)NCCC(c3ccccc3)c3ccccc3)CC2)ccc1O ZINC000014987876 555841909 /nfs/dbraw/zinc/84/19/09/555841909.db2.gz WCIVSGWAFQIESG-HHHXNRCGSA-N 1 0 484.640 5.341 50 0 JKAARO CCOc1cc(C[NH+]2CCC([C@@H](Cc3ccccc3F)N(C)C(=O)c3ccsc3)CC2)ccc1O ZINC000014992607 555842331 /nfs/dbraw/zinc/84/23/31/555842331.db2.gz SEPYOIWPMBDRDR-RUZDIDTESA-N 1 0 496.648 5.587 50 0 JKAARO COc1ccc(NC(=O)c2cc3cc(C4(O)CC[NH+](Cc5cccc(C)c5)CC4)ccc3o2)cc1 ZINC000014999640 555843934 /nfs/dbraw/zinc/84/39/34/555843934.db2.gz PBLCETIEDZJIAG-UHFFFAOYSA-N 1 0 470.569 5.486 50 0 JKAARO C[N@H+](Cc1cccs1)Cc1ccc(OCC[C@@H]2CCCCN2C(=O)C2CCCCC2)cc1 ZINC000011868206 555845169 /nfs/dbraw/zinc/84/51/69/555845169.db2.gz NHFIKGJTKVFBJF-DEOSSOPVSA-N 1 0 454.680 6.110 50 0 JKAARO COCCCn1cnc2sc3c(c2c1=O)CC[C@@H]([NH2+]CCC(c1ccccc1)c1ccccc1)C3 ZINC000015004118 555849239 /nfs/dbraw/zinc/84/92/39/555849239.db2.gz SSQWULILHVACNR-HSZRJFAPSA-N 1 0 487.669 5.164 50 0 JKAARO Cc1cccc(Cn2c3ccccc3nc2N2CCC(C(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)CC2)c1 ZINC000021159936 555850125 /nfs/dbraw/zinc/85/01/25/555850125.db2.gz AIRUJDWYWDUPHU-SGIRGMQISA-N 1 0 458.650 5.550 50 0 JKAARO Cc1ccccc1Cn1c2ccccc2nc1N1CCC(C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)CC1 ZINC000021160290 555850193 /nfs/dbraw/zinc/85/01/93/555850193.db2.gz IFIVURLKKUQVJW-NIRIFSCTSA-N 1 0 458.650 5.550 50 0 JKAARO COc1ccc(-c2cc(C(=O)NC[C@H](c3ccc(Cl)cc3)[NH+]3CCCCCC3)no2)cc1 ZINC000011905410 555853370 /nfs/dbraw/zinc/85/33/70/555853370.db2.gz CLUAUNDZQROFHM-HSZRJFAPSA-N 1 0 453.970 5.351 50 0 JKAARO Cc1occc1C(=O)N(C)[C@H](Cc1ccccc1F)C1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000011909914 555857020 /nfs/dbraw/zinc/85/70/20/555857020.db2.gz PMHOACGZYLQCSR-AREMUKBSSA-N 1 0 470.535 5.601 50 0 JKAARO COc1ccc([C@H](CNC(=O)c2ccccc2SCc2cccs2)[NH+]2CCCC2)cc1 ZINC000021912008 555857056 /nfs/dbraw/zinc/85/70/56/555857056.db2.gz UDXVZXXDPQLVHJ-QHCPKHFHSA-N 1 0 452.645 5.616 50 0 JKAARO COc1ccc(F)c(C[NH+]2CCC([C@@H](Cc3ccc(F)cc3F)N(C)C(=O)c3ccco3)CC2)c1 ZINC000011910512 555857964 /nfs/dbraw/zinc/85/79/64/555857964.db2.gz BWJCEQDIJFSSCS-RUZDIDTESA-N 1 0 486.534 5.301 50 0 JKAARO O=C(Cc1cccc(F)c1)Nc1ccc(N2CCC([NH2+]Cc3cnn(Cc4ccccc4)c3)CC2)cc1 ZINC000011911413 555859332 /nfs/dbraw/zinc/85/93/32/555859332.db2.gz JQGGVRRNTWXDIN-UHFFFAOYSA-N 1 0 497.618 5.010 50 0 JKAARO Cc1nc2sccn2c1C[NH+]1CCC2(C[C@@H]2C(=O)NCCC(c2ccccc2)c2ccccc2)CC1 ZINC000011912225 555860614 /nfs/dbraw/zinc/86/06/14/555860614.db2.gz IKSVGCHSRAFLGC-AREMUKBSSA-N 1 0 498.696 5.645 50 0 JKAARO Cc1cccc(C[NH+]2CCC3(C[C@@H]3C(=O)NCCC(c3ccccc3)c3ccccc3)CC2)n1 ZINC000011913588 555863385 /nfs/dbraw/zinc/86/33/85/555863385.db2.gz AJSLKWCFUGWOGB-MUUNZHRXSA-N 1 0 453.630 5.331 50 0 JKAARO CC(C)=CC[NH+]1CCC(O)(c2ccc3oc(C(=O)N(C)Cc4ccc5ncccc5c4)cc3c2)CC1 ZINC000015067756 555867947 /nfs/dbraw/zinc/86/79/47/555867947.db2.gz SSLJYMMOBPXIJU-UHFFFAOYSA-N 1 0 483.612 5.503 50 0 JKAARO COc1ccc(NC(=O)c2cc3cc(C4(O)CC[NH+](Cc5cccc(OC)c5)CC4)ccc3o2)cc1 ZINC000015068273 555868393 /nfs/dbraw/zinc/86/83/93/555868393.db2.gz JKZYPVXEWGPYBF-UHFFFAOYSA-N 1 0 486.568 5.186 50 0 JKAARO CC[NH+](CC)[C@H]1CCN(C(=O)c2c(=O)cc(C)n3c2C[C@H](c2ccsc2)Sc2ccccc2-3)C1 ZINC000015071611 555870852 /nfs/dbraw/zinc/87/08/52/555870852.db2.gz NIHSEULIUQLAAT-NBGIEHNGSA-N 1 0 493.698 5.153 50 0 JKAARO CC[NH+](CC)[C@@H]1CCN(C(=O)c2c(=O)cc(C)n3c2C[C@@H](c2ccsc2)Sc2ccccc2-3)C1 ZINC000015071605 555871081 /nfs/dbraw/zinc/87/10/81/555871081.db2.gz NIHSEULIUQLAAT-NLFFAJNJSA-N 1 0 493.698 5.153 50 0 JKAARO O=C(NCCC(c1ccccc1)c1ccccc1)[C@H]1CC12CC[NH+](C/C=C/c1ccco1)CC2 ZINC000015072410 555871289 /nfs/dbraw/zinc/87/12/89/555871289.db2.gz ILBQCIJKDIRFOH-NRWLJYDGSA-N 1 0 454.614 5.733 50 0 JKAARO CCOc1cc(C[NH2+]Cc2ccc(C)cc2)cc(Br)c1OCc1ccccc1Cl ZINC000022076708 555871525 /nfs/dbraw/zinc/87/15/25/555871525.db2.gz PNFMOLQBIVDYHS-UHFFFAOYSA-N 1 0 474.826 6.678 50 0 JKAARO C[NH+](C)Cc1cc(-c2nc3ccccc3s2)ccc1OCC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000011966009 555871822 /nfs/dbraw/zinc/87/18/22/555871822.db2.gz HWRLBIRJNJVNDH-UHFFFAOYSA-N 1 0 475.658 5.489 50 0 JKAARO CCC(CC)C(=O)N1CCC[C@@H](COc2ccc(C[NH+]3CCC(c4ccccc4)CC3)cc2)C1 ZINC000011980972 555876469 /nfs/dbraw/zinc/87/64/69/555876469.db2.gz DEZIEPRVZGHWBE-RUZDIDTESA-N 1 0 462.678 6.120 50 0 JKAARO COC[C@H]1CCC[N@H+](Cc2ccc3c(c2)CN(C(=O)c2cccc(-c4ccc(F)cc4)c2)CCO3)C1 ZINC000011982612 555877158 /nfs/dbraw/zinc/87/71/58/555877158.db2.gz AZZUPCMMKFANAH-QHCPKHFHSA-N 1 0 488.603 5.386 50 0 JKAARO COC[C@@H]1CCC[N@H+](Cc2ccc3c(c2)CN(C(=O)c2cccc(-c4ccc(F)cc4)c2)CCO3)C1 ZINC000011982608 555877234 /nfs/dbraw/zinc/87/72/34/555877234.db2.gz AZZUPCMMKFANAH-HSZRJFAPSA-N 1 0 488.603 5.386 50 0 JKAARO CCOc1cc(C[NH+]2CCC3(C[C@H]3C(=O)NCC3(c4ccccc4)CCCC3)CC2)ccc1OC ZINC000012000157 555882183 /nfs/dbraw/zinc/88/21/83/555882183.db2.gz WSHKZSBKWXEJDE-VWLOTQADSA-N 1 0 476.661 5.324 50 0 JKAARO COc1cccc(C[NH+]2CCC([C@@H](Cc3ccc(F)cc3F)N(C)C(=O)c3ccco3)CC2)c1OC ZINC000012001769 555882454 /nfs/dbraw/zinc/88/24/54/555882454.db2.gz GFTJQBQLOSAPID-XMMPIXPASA-N 1 0 498.570 5.171 50 0 JKAARO COc1ccc(/C=C/C[NH+]2CCC([C@H](Cc3ccc(F)cc3F)N(C)C(=O)c3ccco3)CC2)cc1 ZINC000012002446 555882784 /nfs/dbraw/zinc/88/27/84/555882784.db2.gz AKGBEISSEZILHR-NEBYQIEGSA-N 1 0 494.582 5.675 50 0 JKAARO COc1cccc(C[NH+]2CCC([C@@H](Cc3ccccc3Cl)N(C)C(=O)c3ccco3)CC2)c1 ZINC000012037989 555891011 /nfs/dbraw/zinc/89/10/11/555891011.db2.gz DSCHPUFRHORVHI-RUZDIDTESA-N 1 0 467.009 5.537 50 0 JKAARO O=C([C@H]1CC12CC[NH+](Cc1cccc(Oc3ccccc3)c1)CC2)N1CCc2ccccc2C1 ZINC000012051550 555896372 /nfs/dbraw/zinc/89/63/72/555896372.db2.gz QGOPICOYXGDVHU-MUUNZHRXSA-N 1 0 452.598 5.666 50 0 JKAARO CC[NH+](CC)Cc1cc(-c2ccc3c(c2)OCO3)ccc1OCC(=O)NCc1cnc2ccccc2c1 ZINC000012053874 555897261 /nfs/dbraw/zinc/89/72/61/555897261.db2.gz HQMPFFWSZAEZOX-UHFFFAOYSA-N 1 0 497.595 5.168 50 0 JKAARO c1sc2nc(CN3CCOCC3)nc(NC[C@H](c3ccccc3)[NH+]3CCCC3)c2c1-c1ccccc1 ZINC000015345978 555899660 /nfs/dbraw/zinc/89/96/60/555899660.db2.gz QJYQPUYTYCKEBE-RUZDIDTESA-N 1 0 499.684 5.440 50 0 JKAARO CO[C@H]1[C@H](NC(=O)C(C)C)c2ccccc2C12CC[NH+](Cc1c[nH]nc1-c1cc(C)ccc1C)CC2 ZINC000012098316 555904990 /nfs/dbraw/zinc/90/49/90/555904990.db2.gz OAGICZUEKUDQCQ-IZLXSDGUSA-N 1 0 486.660 5.069 50 0 JKAARO COc1ccc2cc([C@@H](C)N3C(=O)CC[C@@H]3CC[NH2+]CCOc3ccc(F)cc3)ccc2c1 ZINC000012099522 555906713 /nfs/dbraw/zinc/90/67/13/555906713.db2.gz OQJZEATXYIUCLL-NTKDMRAZSA-N 1 0 450.554 5.098 50 0 JKAARO COc1ccc2cc([C@H](C)N3C(=O)CC[C@@H]3CC[NH2+]CCOc3ccc(F)cc3)ccc2c1 ZINC000012099523 555906751 /nfs/dbraw/zinc/90/67/51/555906751.db2.gz OQJZEATXYIUCLL-YADARESESA-N 1 0 450.554 5.098 50 0 JKAARO CN(C(=O)c1ccco1)[C@H](Cc1ccccc1Cl)C1CC[NH+](Cc2cccc3c2OCO3)CC1 ZINC000012131529 555911942 /nfs/dbraw/zinc/91/19/42/555911942.db2.gz DYHNGDDSLZVZMF-HSZRJFAPSA-N 1 0 480.992 5.257 50 0 JKAARO CO[C@H]1[C@H](NC(=O)Cc2cccs2)c2ccccc2C12CC[NH+](Cc1cc(C)c(O)c(C)c1)CC2 ZINC000012135853 555913312 /nfs/dbraw/zinc/91/33/12/555913312.db2.gz NIQFVVWOURCRHN-IAPPQJPRSA-N 1 0 490.669 5.033 50 0 JKAARO CCc1ccc2nc(N(CC[NH+](CC)CC)C(=O)c3ccccc3Oc3ccccc3)sc2c1 ZINC000012140852 555919833 /nfs/dbraw/zinc/91/98/33/555919833.db2.gz AZYCQVNTMLXJSM-UHFFFAOYSA-N 1 0 473.642 6.640 50 0 JKAARO CC[NH+](CC)CCN(C(=O)c1cc(-c2ccccc2)nc2ccccc21)c1nc2c(cccc2C)s1 ZINC000012140854 555919884 /nfs/dbraw/zinc/91/98/84/555919884.db2.gz KUQZPRXBSTUHOG-UHFFFAOYSA-N 1 0 494.664 6.809 50 0 JKAARO C[NH+](C)CCCN(C(=O)c1cccc(Cl)c1)c1nc2ccc(Br)cc2s1 ZINC000012140944 555920153 /nfs/dbraw/zinc/92/01/53/555920153.db2.gz KJWLYXNVCCDDCC-UHFFFAOYSA-N 1 0 452.805 5.311 50 0 JKAARO C[NH+](C)CCCN(C(=O)c1ccc(C(=O)c2ccccc2)cc1)c1nc2c(cccc2F)s1 ZINC000012140988 555920422 /nfs/dbraw/zinc/92/04/22/555920422.db2.gz YKIGBMFGZLTHHG-UHFFFAOYSA-N 1 0 461.562 5.265 50 0 JKAARO C[NH+](C)CCCN(C(=O)c1ccc(Cl)s1)c1nc2ccc(Br)cc2s1 ZINC000012140951 555920427 /nfs/dbraw/zinc/92/04/27/555920427.db2.gz PJFGXFXYKYQNAO-UHFFFAOYSA-N 1 0 458.834 5.372 50 0 JKAARO Cc1cccc2sc(N(CCC[NH+](C)C)C(=O)c3ccc(C(=O)c4ccccc4)cc3)nc21 ZINC000012140963 555920430 /nfs/dbraw/zinc/92/04/30/555920430.db2.gz YECRMDXCCWJQRQ-UHFFFAOYSA-N 1 0 457.599 5.434 50 0 JKAARO CCOc1ccc(C(=O)N(CCC[NH+](C)C)c2nc3ccc(Br)cc3s2)cc1 ZINC000012140955 555920460 /nfs/dbraw/zinc/92/04/60/555920460.db2.gz LVCLFSNRLMBUOF-UHFFFAOYSA-N 1 0 462.413 5.056 50 0 JKAARO COc1ccc(C[NH+]2CCC([C@@H](Cc3ccccc3)N(C(=O)c3ccccn3)C3CC3)CC2)cc1C ZINC000012149208 555921072 /nfs/dbraw/zinc/92/10/72/555921072.db2.gz JSHAWIFTLLBPKB-GDLZYMKVSA-N 1 0 483.656 5.527 50 0 JKAARO O=C1CC[C@@H]2C[N@@H+](Cc3cccc4ccccc43)CC[C@@H]2N1Cc1ccc(C(F)(F)F)cc1 ZINC000012149245 555921084 /nfs/dbraw/zinc/92/10/84/555921084.db2.gz GEQJNYIUGDXDDK-RDGATRHJSA-N 1 0 452.520 5.872 50 0 JKAARO C[N@@H+]1CCC[C@H](COc2cc(-c3cccc(Cl)c3)cc3c2OCCN(C(=O)c2ccccn2)C3)C1 ZINC000012150139 555922275 /nfs/dbraw/zinc/92/22/75/555922275.db2.gz ZNTOCGWHQGSSLO-FQEVSTJZSA-N 1 0 492.019 5.157 50 0 JKAARO COc1cccc(Cn2c(=O)c(C[N@H+](C)[C@H](C)c3cc(-c4ccccc4)n[nH]3)cc3ccc(F)cc32)c1 ZINC000012151085 555923491 /nfs/dbraw/zinc/92/34/91/555923491.db2.gz DZAFXIGXRYZSFC-HXUWFJFHSA-N 1 0 496.586 5.781 50 0 JKAARO Clc1ccccc1Cn1ncc2c1ncnc2N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022356702 555924179 /nfs/dbraw/zinc/92/41/79/555924179.db2.gz LVNCQHFVKPKZEY-UHFFFAOYSA-N 1 0 495.030 5.440 50 0 JKAARO O=C(NC1CC1)[C@@H]1C[C@@H](Sc2nc3ccccc3[nH]2)C[N@@H+]1Cc1ccc(-c2ccccc2)cc1 ZINC000012151484 555924181 /nfs/dbraw/zinc/92/41/81/555924181.db2.gz CGEUXIVNSSOJCS-BVAGGSTKSA-N 1 0 468.626 5.244 50 0 JKAARO C[N@H+](C[C@@H](O)c1ccccc1)C1CCN(c2cccc(NC(=O)CCCc3ccccc3)c2)CC1 ZINC000012151833 555925219 /nfs/dbraw/zinc/92/52/19/555925219.db2.gz BGTPAVPOIQCZLT-GDLZYMKVSA-N 1 0 471.645 5.282 50 0 JKAARO O=C(CCC1CCCCC1)N1CCOc2ccc(C[NH+]3CCC(Oc4cccnc4)CC3)cc2C1 ZINC000012152214 555926074 /nfs/dbraw/zinc/92/60/74/555926074.db2.gz DOYZDIXGMOPOGN-UHFFFAOYSA-N 1 0 477.649 5.207 50 0 JKAARO COc1cccc(-c2nc3c(OC)ccc(OC)c3cc2C[NH2+][C@@H]2CCCc3ccccc32)c1 ZINC000012152725 555927001 /nfs/dbraw/zinc/92/70/01/555927001.db2.gz WVTFKKQBLDGXHL-RUZDIDTESA-N 1 0 454.570 6.095 50 0 JKAARO CCc1ccc(C[NH+]2CCC(c3nnc(SC[C@H]4CCCO4)n3-c3cccc(OC)c3)CC2)cc1 ZINC000012154529 555927531 /nfs/dbraw/zinc/92/75/31/555927531.db2.gz MHOTZQGHXNRDNG-AREMUKBSSA-N 1 0 492.689 5.489 50 0 JKAARO Cc1cc(C(=O)N2CCC[C@H](COc3ccc(C[NH+]4CCC(c5ccccc5)CC4)cc3)C2)n(C)n1 ZINC000012164424 555932309 /nfs/dbraw/zinc/93/23/09/555932309.db2.gz BFYOXINQNCLZGJ-VWLOTQADSA-N 1 0 486.660 5.039 50 0 JKAARO CCc1cc2c(cc3n2C[C@](C)(C(=O)NC2CCC(C)CC2)N(CC[NH+]2CCCCCC2)C3=O)s1 ZINC000015673341 555932662 /nfs/dbraw/zinc/93/26/62/555932662.db2.gz CVNWGLHDJRCCFJ-JQPIXXOSSA-N 1 0 498.737 5.051 50 0 JKAARO CCCC[NH+](CCCC)CCCN1C(=O)c2cc3occc3n2C[C@]1(C)C(=O)NC1CCCCCC1 ZINC000015675873 555934897 /nfs/dbraw/zinc/93/48/97/555934897.db2.gz SBSUHCDEGUYJPX-GDLZYMKVSA-N 1 0 498.712 5.580 50 0 JKAARO Cc1cc2c(cc3n2C[C@@](C)(C(=O)NC2CCCCCCC2)N(CCC[NH+]2CCCCCC2)C3=O)o1 ZINC000015675840 555934980 /nfs/dbraw/zinc/93/49/80/555934980.db2.gz VLQWYQHLDVKHFG-LJAQVGFWSA-N 1 0 496.696 5.252 50 0 JKAARO CO[C@H]1[C@H](NC(=O)Cc2cccs2)c2ccccc2C12CC[NH+](Cc1cccc3cccnc31)CC2 ZINC000012191149 555938462 /nfs/dbraw/zinc/93/84/62/555938462.db2.gz JKVIMGPRBJFRJR-WDYNHAJCSA-N 1 0 497.664 5.259 50 0 JKAARO Cc1cnc(SCc2ccccn2)nc1[C@@H]1CCC[N@@H+](C[C@H](C)Cc2ccc3c(c2)OCO3)C1 ZINC000012211384 555943044 /nfs/dbraw/zinc/94/30/44/555943044.db2.gz JZLXKIVUIFRQGM-DENIHFKCSA-N 1 0 476.646 5.259 50 0 JKAARO CCc1ccc(NC(=O)N(Cc2ccc3c(c2)OCO3)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000015679710 555946532 /nfs/dbraw/zinc/94/65/32/555946532.db2.gz TUDRKJHUJKQYKE-UHFFFAOYSA-N 1 0 471.601 5.676 50 0 JKAARO C[C@H](Cc1cccnc1)[NH2+]C1CCN(c2ccc(NC(=O)Cc3cccc(Cl)c3)cc2)CC1 ZINC000012243258 555946753 /nfs/dbraw/zinc/94/67/53/555946753.db2.gz PIIFCGSDLVXFQP-HXUWFJFHSA-N 1 0 463.025 5.106 50 0 JKAARO Cc1oc(-c2ccc(C(=O)NCCC[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)nc1COc1ccccc1 ZINC000015682090 555951574 /nfs/dbraw/zinc/95/15/74/555951574.db2.gz MODSPHFOIHRFIA-SFTDATJTSA-N 1 0 461.606 5.327 50 0 JKAARO Cc1oc(-c2ccc(C(=O)NCCC[NH+]3[C@@H](C)CCC[C@@H]3C)cc2)nc1CSc1ccccc1 ZINC000015682257 555951750 /nfs/dbraw/zinc/95/17/50/555951750.db2.gz XKMNOQMBMAPTML-SFTDATJTSA-N 1 0 477.674 6.325 50 0 JKAARO CC(C)(C)[NH2+]C[C@@H](O)Cn1c2ccc(Br)cc2c2cc(Br)ccc21 ZINC000012339493 555953126 /nfs/dbraw/zinc/95/31/26/555953126.db2.gz VBMYXYXSKXYBKK-CQSZACIVSA-N 1 0 454.206 5.069 50 0 JKAARO CC(C)(C)[NH2+]C[C@H](O)Cn1c2ccc(Br)cc2c2cc(Br)ccc21 ZINC000012339492 555953151 /nfs/dbraw/zinc/95/31/51/555953151.db2.gz VBMYXYXSKXYBKK-AWEZNQCLSA-N 1 0 454.206 5.069 50 0 JKAARO COCC[NH+]1CCN([C@@H](C)c2cc(Cl)ccc2Sc2ccc(Cl)c(Cl)c2)CC1 ZINC000022789130 555954766 /nfs/dbraw/zinc/95/47/66/555954766.db2.gz YYYQCJRFRWSBHS-HNNXBMFYSA-N 1 0 459.870 6.123 50 0 JKAARO C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022920393 555974051 /nfs/dbraw/zinc/97/40/51/555974051.db2.gz LSBVAXLCHHEOJD-IBGZPJMESA-N 1 0 468.428 5.728 50 0 JKAARO Cc1ccc(-c2nn(CN3CC[NH+](Cc4ccccc4)CC3)c(=S)n2-c2ccccc2C(C)C)cc1 ZINC000022927272 555978074 /nfs/dbraw/zinc/97/80/74/555978074.db2.gz HFXCUICWPGLHTI-UHFFFAOYSA-N 1 0 497.712 6.277 50 0 JKAARO Clc1ccccc1-c1nnc([C@H](NC2CC[NH+](Cc3ccccc3)CC2)c2ccccc2)o1 ZINC000015733711 555979101 /nfs/dbraw/zinc/97/91/01/555979101.db2.gz VHMZGEVPWGURDE-RUZDIDTESA-N 1 0 458.993 5.734 50 0 JKAARO CC[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C2CCN(c3ccc(-c4cccs4)nn3)CC2)o1 ZINC000015734912 555980715 /nfs/dbraw/zinc/98/07/15/555980715.db2.gz BCBHQWZNXSNNJI-NRFANRHFSA-N 1 0 493.677 5.095 50 0 JKAARO CSc1ccc(C[NH+]2CCC(c3nnc(SC[C@@H]4CCCO4)n3Cc3ccccc3)CC2)cc1 ZINC000012450909 555980881 /nfs/dbraw/zinc/98/08/81/555980881.db2.gz GAOVMQZNVAZHSG-DEOSSOPVSA-N 1 0 494.730 5.699 50 0 JKAARO CC1CC[NH+](Cc2ccc(NC(=O)[C@@H]3Cc4ccccc4N3C(=O)c3ccccc3)cc2)CC1 ZINC000015774132 555992445 /nfs/dbraw/zinc/99/24/45/555992445.db2.gz PJOJJOOHJVXJQC-MHZLTWQESA-N 1 0 453.586 5.129 50 0 JKAARO O[C@H](COc1ccc(Cl)cc1Cl)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022942455 555992931 /nfs/dbraw/zinc/99/29/31/555992931.db2.gz ITJVTCKCBYZQEQ-QHCPKHFHSA-N 1 0 471.428 5.140 50 0 JKAARO CCn1c2ccccc2c2cc([P@@](=[NH+]c3ccc(C)cc3C)(N3CCCC3)C(C)(C)C)ccc21 ZINC000012524696 555993692 /nfs/dbraw/zinc/99/36/92/555993692.db2.gz KXQMLSLZRGCSNG-UUWRZZSWSA-N 1 0 471.629 8.399 50 0 JKAARO CCn1c2ccccc2c2cc([P@](=[NH+]c3ccc(C)cc3C)(N3CCCC3)C(C)(C)C)ccc21 ZINC000012524697 555993706 /nfs/dbraw/zinc/99/37/06/555993706.db2.gz KXQMLSLZRGCSNG-UMSFTDKQSA-N 1 0 471.629 8.399 50 0 JKAARO COc1cc([C@@H]2[NH2+]C[C@@H](c3ccc(Cl)cc3Cl)c3c4ccccc4[nH]c32)ccc1OCC(C)C ZINC000012529254 555998676 /nfs/dbraw/zinc/99/86/76/555998676.db2.gz FXJIUWCWFITSLG-IDISGSTGSA-N 1 0 495.450 7.343 50 0 JKAARO COc1ccc(-c2nc3ccccc3c(NCCC[NH+]3CCN(c4ccc(F)cc4)CC3)n2)cc1 ZINC000015781568 556000796 /nfs/dbraw/zinc/00/07/96/556000796.db2.gz GSZOOEVUKAPLCE-UHFFFAOYSA-N 1 0 471.580 5.069 50 0 JKAARO Cc1nn(-c2ccccc2)c2sc(C(=O)NCC3CC[NH+](Cc4cccc(F)c4)CC3)cc12 ZINC000015821609 556010208 /nfs/dbraw/zinc/01/02/08/556010208.db2.gz GILVKDRSGGNNOK-UHFFFAOYSA-N 1 0 462.594 5.177 50 0 JKAARO Cc1cc(N2CC[NH+](Cc3ccccc3)CC2)n2nc(C(F)(F)F)c(-c3ccccc3)c2n1 ZINC000023114958 556011597 /nfs/dbraw/zinc/01/15/97/556011597.db2.gz XNEYUNSSLRWWFT-UHFFFAOYSA-N 1 0 451.496 5.046 50 0 JKAARO COc1ccccc1-c1nnc(SCC(=O)Nc2ccc(C[NH+]3CCCC3)cc2)n1-c1ccccc1 ZINC000012542092 556017171 /nfs/dbraw/zinc/01/71/71/556017171.db2.gz MUJRIQFAXYSXLR-UHFFFAOYSA-N 1 0 499.640 5.270 50 0 JKAARO CSc1ccc(NC(=O)CC[C@H]2C[N@H+](Cc3ccc(Cl)cc3)CC[C@H]2N2CCOCC2)cc1 ZINC000023129629 556018892 /nfs/dbraw/zinc/01/88/92/556018892.db2.gz OUFYTTIHAOSMJZ-SQJMNOBHSA-N 1 0 488.097 5.004 50 0 JKAARO Cc1cc(N2CC[NH+](CCOc3cccc4ccccc43)CC2)n2ncc(-c3ccc(F)cc3)c2n1 ZINC000015839966 556023124 /nfs/dbraw/zinc/02/31/24/556023124.db2.gz IYQMZMLILTXXRW-UHFFFAOYSA-N 1 0 481.575 5.198 50 0 JKAARO Cc1cccc(NC(=S)N[C@H](C)[C@H](c2cccs2)[NH+]2CCN(c3ccccc3)CC2)c1C ZINC000023182374 556028776 /nfs/dbraw/zinc/02/87/76/556028776.db2.gz XCYJSGVPIHWUHR-PXDATVDWSA-N 1 0 464.704 5.603 50 0 JKAARO CC(C)c1ccc([C@@H](c2oc3ccccc3c2NC(=O)c2cccs2)[NH+]2CCC(C)CC2)cc1 ZINC000015859431 556029694 /nfs/dbraw/zinc/02/96/94/556029694.db2.gz FZVZMOLHLWNEAQ-MHZLTWQESA-N 1 0 472.654 7.691 50 0 JKAARO COc1ccc([C@H](c2oc3ccccc3c2NC(=O)c2cccs2)[NH+]2CCC(C)CC2)cc1 ZINC000015859375 556029711 /nfs/dbraw/zinc/02/97/11/556029711.db2.gz FXZASRCFUJAURZ-RUZDIDTESA-N 1 0 460.599 6.577 50 0 JKAARO CC1CC[NH+]([C@H](c2oc3ccccc3c2NC(=O)c2ccccc2)c2cccc(Cl)c2)CC1 ZINC000015859499 556030071 /nfs/dbraw/zinc/03/00/71/556030071.db2.gz UAVCASAPIVAOJW-SANMLTNESA-N 1 0 458.989 7.160 50 0 JKAARO CC1CC[NH+]([C@@H](c2oc3ccccc3c2NC(=O)c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000015859484 556030096 /nfs/dbraw/zinc/03/00/96/556030096.db2.gz WCNPRQUNIRLLEJ-AREMUKBSSA-N 1 0 458.989 7.160 50 0 JKAARO COc1ccc([C@H](c2oc3ccccc3c2NC(=O)c2ccccc2)[NH+]2CCC(C)CC2)cc1 ZINC000015859457 556030099 /nfs/dbraw/zinc/03/00/99/556030099.db2.gz SKCAYPYPPGIUFW-HHHXNRCGSA-N 1 0 454.570 6.515 50 0 JKAARO COc1ccc(OC)c([C@H](c2oc3ccccc3c2NC(=O)c2ccccc2)[NH+]2CCC(C)CC2)c1 ZINC000015859559 556030476 /nfs/dbraw/zinc/03/04/76/556030476.db2.gz HVCWLFAWFJMFMD-MUUNZHRXSA-N 1 0 484.596 6.524 50 0 JKAARO COc1ccc([C@H](c2oc3ccccc3c2NC(=O)c2ccc(C)cc2)[NH+]2CCC(C)CC2)cc1 ZINC000015859573 556030490 /nfs/dbraw/zinc/03/04/90/556030490.db2.gz MFXYQIHBIKMDBG-MUUNZHRXSA-N 1 0 468.597 6.823 50 0 JKAARO COc1ccc(OC)c([C@H](c2oc3ccccc3c2NC(=O)c2ccccc2)[NH+]2CCCCC2)c1 ZINC000015859555 556030499 /nfs/dbraw/zinc/03/04/99/556030499.db2.gz RSUSGNKIPBYAPE-HHHXNRCGSA-N 1 0 470.569 6.278 50 0 JKAARO COc1ccccc1[C@H](c1oc2ccccc2c1NC(=O)c1ccc(C)cc1)[NH+]1CCCCC1 ZINC000015859579 556030749 /nfs/dbraw/zinc/03/07/49/556030749.db2.gz PORSBNIMJDKXNY-HHHXNRCGSA-N 1 0 454.570 6.577 50 0 JKAARO Cc1ccc(C(=O)Nc2c3ccccc3oc2[C@@H](c2ccc(Cl)cc2)[NH+]2CCC(C)CC2)cc1 ZINC000015859588 556030768 /nfs/dbraw/zinc/03/07/68/556030768.db2.gz AKPCICSZXATVFL-HHHXNRCGSA-N 1 0 473.016 7.468 50 0 JKAARO COc1ccccc1[C@@H](c1oc2ccccc2c1NC(=O)c1ccc(C)cc1)[NH+]1CCCCC1 ZINC000015859580 556030805 /nfs/dbraw/zinc/03/08/05/556030805.db2.gz PORSBNIMJDKXNY-MHZLTWQESA-N 1 0 454.570 6.577 50 0 JKAARO Cc1ccc(C(=O)Nc2c3ccccc3oc2[C@@H](c2cccc(F)c2)[NH+]2CCC(C)CC2)cc1 ZINC000015859596 556030816 /nfs/dbraw/zinc/03/08/16/556030816.db2.gz CADOFPISYVRGGT-HHHXNRCGSA-N 1 0 456.561 6.954 50 0 JKAARO Cc1ccc(Cl)cc1N1CC[NH+](C[C@@H](O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)CC1 ZINC000023224671 556032472 /nfs/dbraw/zinc/03/24/72/556032472.db2.gz GCFKWHJPWCVLLE-KNSFSRGUSA-N 1 0 495.107 5.678 50 0 JKAARO CC1CC[NH+](CC2CCN(C(=O)Nc3ccc(C(=O)NC4CCCCCC4)cc3)CC2)CC1 ZINC000015860944 556033292 /nfs/dbraw/zinc/03/32/92/556033292.db2.gz BZFIPTWOYJXCDK-UHFFFAOYSA-N 1 0 454.659 5.115 50 0 JKAARO Cc1cccc(-c2nccc(Nc3cccc(C(=O)N4CCC([NH+]5CCCCC5)CC4)c3)n2)c1 ZINC000015864022 556038579 /nfs/dbraw/zinc/03/85/79/556038579.db2.gz CIIGXVMHLRTWPK-UHFFFAOYSA-N 1 0 455.606 5.286 50 0 JKAARO CCc1c(C)sc2c1CC[N@H+](Cc1nc(-c3ccc(OC(C)C)cc3)oc1C)[C@H]2c1ccccc1 ZINC000015864880 556040714 /nfs/dbraw/zinc/04/07/14/556040714.db2.gz WVPIZLWGHPQIJI-NDEPHWFRSA-N 1 0 486.681 7.517 50 0 JKAARO CCc1c(C)sc2c1CC[N@H+](Cc1nc(-c3ccc(OC)cc3)oc1C)[C@@H]2c1ccccc1 ZINC000015864859 556040827 /nfs/dbraw/zinc/04/08/27/556040827.db2.gz SDPSDGFQEZEEIQ-AREMUKBSSA-N 1 0 458.627 6.739 50 0 JKAARO CCc1c(C)sc2c1CC[N@H+](Cc1nc(-c3ccc(C(C)C)cc3)oc1C)[C@H]2c1ccccc1 ZINC000015864886 556040914 /nfs/dbraw/zinc/04/09/14/556040914.db2.gz ADVSERGAZHECHV-NDEPHWFRSA-N 1 0 470.682 7.853 50 0 JKAARO CCC(CC)C(=O)Nc1ccc2[nH]cc(CC[NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)c2c1 ZINC000023333217 556043417 /nfs/dbraw/zinc/04/34/17/556043417.db2.gz GBVZYWRBVVKWAT-UHFFFAOYSA-N 1 0 486.582 5.926 50 0 JKAARO CC[NH+]1CCN([P@@](=Nc2ccc(F)cc2)(c2c(C)nn(-c3ccccc3)c2C)C(C)(C)C)CC1 ZINC000012559143 556049665 /nfs/dbraw/zinc/04/96/65/556049665.db2.gz XEIGHXUMSINSAT-UMSFTDKQSA-N 1 0 481.600 6.137 50 0 JKAARO CCC[N@H+](CCc1c[nH]c2ccc(NC(=O)c3c(F)c(F)c(F)c(F)c3F)cc12)CC1CC1 ZINC000023426582 556053898 /nfs/dbraw/zinc/05/38/98/556053898.db2.gz ATTNMXACPXEQAL-UHFFFAOYSA-N 1 0 465.466 5.780 50 0 JKAARO COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2c3ccc(C)cc3[C@H]3C[N@@H+](C)CC[C@@H]32)cc1 ZINC000012563385 556058212 /nfs/dbraw/zinc/05/82/12/556058212.db2.gz CCVGPSSIPPYTFZ-NAKRPHOHSA-N 1 0 478.596 5.304 50 0 JKAARO COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2c3ccc(C)cc3[C@H]3C[N@@H+](C)CC[C@H]32)cc1 ZINC000012563383 556058274 /nfs/dbraw/zinc/05/82/74/556058274.db2.gz CCVGPSSIPPYTFZ-LEAFIULHSA-N 1 0 478.596 5.304 50 0 JKAARO Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)N3c4ccc(C)cc4[C@@H]4C[N@H+](C)CC[C@H]43)cc12 ZINC000012564980 556061486 /nfs/dbraw/zinc/06/14/86/556061486.db2.gz VMZVMGWPJXZHKE-JTHBVZDNSA-N 1 0 477.033 5.805 50 0 JKAARO CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)[NH2+][C@@H](C)C13CC4CC(CC(C4)C1)C3)C[C@@H](C)CC2 ZINC000012566331 556064070 /nfs/dbraw/zinc/06/40/70/556064070.db2.gz JFEMLVUKXMCDEG-KEUMZAPGSA-N 1 0 472.695 5.571 50 0 JKAARO O[C@@H](COc1ccc(-c2ccccc2)cc1)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000023473247 556074336 /nfs/dbraw/zinc/07/43/36/556074336.db2.gz HQMHJHGQTPJNLZ-SSEXGKCCSA-N 1 0 478.636 5.501 50 0 JKAARO CCC[NH2+]CC(=O)Nc1sc2c(c1C(=O)Nc1ccc(OC)cc1OC)CC[C@@H](C(C)(C)C)C2 ZINC000015946027 556082231 /nfs/dbraw/zinc/08/22/31/556082231.db2.gz YKOXYHMSYBJYGV-MRXNPFEDSA-N 1 0 487.666 5.107 50 0 JKAARO CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4ccc(Cl)c(Cl)c4)o2)N3)C1 ZINC000015946377 556082937 /nfs/dbraw/zinc/08/29/37/556082937.db2.gz JFGVMHBIIWVOLQ-FQEVSTJZSA-N 1 0 462.402 6.510 50 0 JKAARO Cc1cccc(NC(=O)c2c(NC(=O)C[NH2+]Cc3ccccc3)sc3c2CC[C@H](C(C)(C)C)C3)c1 ZINC000015946744 556083533 /nfs/dbraw/zinc/08/35/33/556083533.db2.gz PTLGLQOMWUHUOW-NRFANRHFSA-N 1 0 489.685 6.188 50 0 JKAARO Cc1cccc(NC(=O)c2c(NC(=O)C[NH2+]CC(C)C)sc3c2CC[C@H](C(C)(C)C)C3)c1 ZINC000015946740 556083576 /nfs/dbraw/zinc/08/35/76/556083576.db2.gz PWWURYKVXYGPAU-SFHVURJKSA-N 1 0 455.668 5.644 50 0 JKAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC(=O)c4cccc5ccccc54)cc2)N3)C1 ZINC000015947150 556084684 /nfs/dbraw/zinc/08/46/84/556084684.db2.gz NYJZQKYGHPEYFE-RUZDIDTESA-N 1 0 483.593 5.927 50 0 JKAARO COc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C(C)C)C4)ccc1OC(=O)c1ccc(C)cc1 ZINC000015947089 556084711 /nfs/dbraw/zinc/08/47/11/556084711.db2.gz HFLPWWSNCFGEIT-XMMPIXPASA-N 1 0 491.613 5.480 50 0 JKAARO COc1ccc(C(=O)Oc2ccc([C@H]3Nc4sc5c(c4C(=O)N3)CC[N@H+](C(C)C)C5)cc2)cc1 ZINC000015947093 556084722 /nfs/dbraw/zinc/08/47/22/556084722.db2.gz NVBIFOGZBGHMNA-HSZRJFAPSA-N 1 0 477.586 5.171 50 0 JKAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC(=O)c4ccc(Cl)cc4)cc2)N3)C1 ZINC000015947259 556084737 /nfs/dbraw/zinc/08/47/37/556084737.db2.gz STTCEFVROHXJET-OAQYLSRUSA-N 1 0 467.978 5.428 50 0 JKAARO COc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C(C)C)C4)ccc1OC(=O)c1ccc(C)cc1 ZINC000015947087 556084751 /nfs/dbraw/zinc/08/47/51/556084751.db2.gz HFLPWWSNCFGEIT-DEOSSOPVSA-N 1 0 491.613 5.480 50 0 JKAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC(=O)c4ccc(Cl)cc4)cc2)N3)C1 ZINC000015947257 556084769 /nfs/dbraw/zinc/08/47/69/556084769.db2.gz STTCEFVROHXJET-NRFANRHFSA-N 1 0 467.978 5.428 50 0 JKAARO CCOc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](CC)C4)ccc1OC(=O)c1ccc(C)cc1 ZINC000015947267 556085104 /nfs/dbraw/zinc/08/51/04/556085104.db2.gz SGYVOQDRWXHVFQ-XMMPIXPASA-N 1 0 491.613 5.481 50 0 JKAARO Cc1cc(Br)c(NC(=O)[C@H](C)[NH2+][C@H]2CCCc3ccccc32)c(Br)c1 ZINC000012630887 556093401 /nfs/dbraw/zinc/09/34/01/556093401.db2.gz BEOGAYAWHNPLBW-UGSOOPFHSA-N 1 0 466.217 5.514 50 0 JKAARO CC(=O)[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 ZINC000012659501 556100024 /nfs/dbraw/zinc/10/00/24/556100024.db2.gz CYXPZJSOSYXEMC-NNJLBEARSA-N 1 0 455.683 5.942 50 0 biogenic JKAARO COc1c2c(cc3c1[C@@H](C[C@@H](O)c1cc(C(C)(C)C)cc4c1CCC4(C)C)[N@H+](C)CC3)OCO2 ZINC000012660127 556100746 /nfs/dbraw/zinc/10/07/46/556100746.db2.gz XVPULKCGCVRRPV-DHIUTWEWSA-N 1 0 465.634 5.598 50 0 biogenic JKAARO CC[NH+](CC)CCCn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nc2ccccc2c1=O ZINC000012784604 556112327 /nfs/dbraw/zinc/11/23/27/556112327.db2.gz HGNVKXWKTIAMMR-UHFFFAOYSA-N 1 0 493.460 5.166 50 0 JKAARO CC[C@@H]([NH2+]Cc1nc(=O)c2c([nH]1)sc(C)c2-c1ccc(C)cc1)c1ccc(Br)cc1 ZINC000012796566 556113600 /nfs/dbraw/zinc/11/36/00/556113600.db2.gz GWHHJTAIJCDNHE-LJQANCHMSA-N 1 0 482.447 6.272 50 0 JKAARO O=C(N[C@H](OC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(Cl)(Cl)Cl)c1ccc(Br)cc1 ZINC000016041444 556121483 /nfs/dbraw/zinc/12/14/83/556121483.db2.gz VOUZVBHUPLKNBV-QILLFSRXSA-N 1 0 498.676 5.156 50 0 JKAARO O=C(CSc1nnc(-c2ccccc2Cl)n1C1CCCC1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000012908969 556128034 /nfs/dbraw/zinc/12/80/34/556128034.db2.gz HUBYSJSUNXCRRI-HXUWFJFHSA-N 1 0 496.080 5.196 50 0 JKAARO COc1ccc(-c2nc(C[NH2+][C@H](c3ccc4c(c3)OCCCO4)C(C)C)cs2)cc1OC ZINC000012913489 556132637 /nfs/dbraw/zinc/13/26/37/556132637.db2.gz YAPDYRONGWLWGB-DEOSSOPVSA-N 1 0 454.592 5.476 50 0 JKAARO COc1ccc(C[N@H+](CC(=O)Nc2cc3c(cc2Cl)OCO3)[C@H](C)Cc2cccs2)cc1 ZINC000012921446 556140289 /nfs/dbraw/zinc/14/02/89/556140289.db2.gz KFSHSPYEWBVSES-MRXNPFEDSA-N 1 0 472.994 5.211 50 0 JKAARO C[C@H](Cc1cccs1)[N@H+](CC(=O)Nc1ccc(C(=O)N(C)C)cc1)Cc1ccc(Cl)cc1 ZINC000012950937 556160189 /nfs/dbraw/zinc/16/01/89/556160189.db2.gz DWRXHSGGVPESMY-GOSISDBHSA-N 1 0 470.038 5.175 50 0 JKAARO O[C@@]1(C(F)(F)F)C2=C(CCCCC2)[NH2+]N1c1nc(-c2ccc(Br)cc2)cs1 ZINC000016957671 556188934 /nfs/dbraw/zinc/18/89/34/556188934.db2.gz JUNXAMYJJQYKDH-SUMWQHHRSA-N 1 0 460.319 5.580 50 0 JKAARO O=C1C2=C(C(c3ccc(Cl)cc3)=[NH+]CCN2)[C@@H](c2ccc(Br)cc2)N1c1ccccc1 ZINC000025173422 556202259 /nfs/dbraw/zinc/20/22/59/556202259.db2.gz SZPVYFHTFGYMLF-XMMPIXPASA-N 1 0 492.804 5.537 50 0 JKAARO O[C@H](COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000025329373 556209146 /nfs/dbraw/zinc/20/91/46/556209146.db2.gz XUCRALLSADLLLJ-VWLOTQADSA-N 1 0 489.418 5.422 50 0 JKAARO Cc1ccc(-c2ccc(OC[C@@H](O)C[NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)c(C)c2)cc1 ZINC000025336230 556209403 /nfs/dbraw/zinc/20/94/03/556209403.db2.gz VKFPZHOPUOZEDK-SANMLTNESA-N 1 0 484.562 5.551 50 0 JKAARO COc1cccc([C@@H]2C[NH2+][C@H](c3ccc(C(F)(F)F)cc3)c3[nH]c4ccccc4c32)c1OC ZINC000025461670 556217009 /nfs/dbraw/zinc/21/70/09/556217009.db2.gz LYEMGMUNUMROOV-WMZHIEFXSA-N 1 0 452.476 6.028 50 0 JKAARO CC(C)[N@@H+]1CCc2c(sc(NC(=O)CCc3ccccc3)c2-c2nc3ccccc3s2)C1 ZINC000017113386 556218344 /nfs/dbraw/zinc/21/83/44/556218344.db2.gz RPQCIFKCWUNKEF-UHFFFAOYSA-N 1 0 461.656 6.363 50 0 JKAARO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)/C=C/c2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000013027850 556221060 /nfs/dbraw/zinc/22/10/60/556221060.db2.gz BNCZPAOGRCOJLX-KPKJPENVSA-N 1 0 467.919 5.082 50 0 JKAARO CC1CC[NH+]([C@H](CNc2nc(-c3cccnc3)nc3sc4c(c32)CCC4)c2cccs2)CC1 ZINC000013030149 556224804 /nfs/dbraw/zinc/22/48/04/556224804.db2.gz PLNIWNLATIIVHY-HXUWFJFHSA-N 1 0 475.687 6.189 50 0 JKAARO COc1cccc([C@H](CNc2nc(C)nc3scc(-c4ccc(OC)c(OC)c4)c32)[NH+](C)C)c1 ZINC000013039145 556239200 /nfs/dbraw/zinc/23/92/00/556239200.db2.gz AIQWEORHIWFQFJ-NRFANRHFSA-N 1 0 478.618 5.407 50 0 JKAARO COc1cccc([C@@H](CNC(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)[NH+]2CCCC2)c1 ZINC000013039438 556240433 /nfs/dbraw/zinc/24/04/33/556240433.db2.gz ACBVPFINIQLWDT-MUUNZHRXSA-N 1 0 466.585 5.115 50 0 JKAARO CCCn1c(C[NH+]2CCC(C)CC2)nc2cc(NC(=O)COc3ccccc3Cl)ccc21 ZINC000026121590 556249505 /nfs/dbraw/zinc/24/95/05/556249505.db2.gz KIGXZABDFXAFLR-UHFFFAOYSA-N 1 0 455.002 5.349 50 0 JKAARO CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@@H]([NH2+]CCC(C)C)c1ccccc1 ZINC000013062626 556257717 /nfs/dbraw/zinc/25/77/17/556257717.db2.gz WFOFKOTZDHXJJH-QHCPKHFHSA-N 1 0 450.604 5.907 50 0 JKAARO COc1ccc([C@@H](CNc2nc(CN3CCC(C)CC3)nc3sc4c(c32)CCC4)[NH+](C)C)cc1 ZINC000013068837 556265276 /nfs/dbraw/zinc/26/52/76/556265276.db2.gz CUDHGURZSCBGIB-JOCHJYFZSA-N 1 0 479.694 5.135 50 0 JKAARO O=C(Nc1ccc(C(=O)OC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1)c1ccc(Cl)c(Cl)c1 ZINC000027062485 556273589 /nfs/dbraw/zinc/27/35/89/556273589.db2.gz LDMHMMCRJKBPKT-PGRDOPGGSA-N 1 0 461.389 5.667 50 0 JKAARO CC(C)[NH+](CCn1c(=O)c2ccccc2nc1SCc1ccc(Cl)cc1Cl)C(C)C ZINC000013075736 556277511 /nfs/dbraw/zinc/27/75/11/556277511.db2.gz BMQXZTWZHJXYMQ-UHFFFAOYSA-N 1 0 464.462 6.114 50 0 JKAARO C[N@H+](C[C@H](O)Cn1c(-c2ccccc2)c(-c2ccccc2)c2ccc3ccccc3c21)C1CCCCC1 ZINC000027527965 556289869 /nfs/dbraw/zinc/28/98/69/556289869.db2.gz UGYDDGRDALACKB-LJAQVGFWSA-N 1 0 488.675 7.754 50 0 JKAARO COc1ccccc1[C@H](CNC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1)[NH+]1CCCC1 ZINC000013097630 556294503 /nfs/dbraw/zinc/29/45/03/556294503.db2.gz KPWBLDHDXHEACS-MHZLTWQESA-N 1 0 466.585 5.115 50 0 JKAARO Cc1ccccc1N1CC[NH+](Cn2c(COc3ccc(Cl)cc3Cl)nc3ccccc32)CC1 ZINC000013097769 556295234 /nfs/dbraw/zinc/29/52/34/556295234.db2.gz MNTPLLYYCMTDPZ-UHFFFAOYSA-N 1 0 481.427 6.010 50 0 JKAARO CC1CC[NH+]([C@H](CNC(=O)C2C[C@H]3CC[C@@H](C2)C32SCCS2)c2cccs2)CC1 ZINC000027573886 556299493 /nfs/dbraw/zinc/29/94/93/556299493.db2.gz WJQSWKBOZWOWMQ-RAFMOHDBSA-N 1 0 450.739 5.250 50 0 JKAARO CC(C)c1cc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)n2ncc(-c3ccccc3)c2n1 ZINC000027585221 556300575 /nfs/dbraw/zinc/30/05/75/556300575.db2.gz XYHGWGHYUGULPK-UHFFFAOYSA-N 1 0 487.651 6.431 50 0 JKAARO Cc1c2ccc(Br)cc2oc1C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCCCC1 ZINC000027662454 556302016 /nfs/dbraw/zinc/30/20/16/556302016.db2.gz ZXRKMMAAUJHUTM-QFIPXVFZSA-N 1 0 469.423 6.159 50 0 JKAARO Cc1c2cc(Br)ccc2oc1C(=O)NC[C@H](c1cccs1)[NH+]1CCCCCC1 ZINC000027662669 556302068 /nfs/dbraw/zinc/30/20/68/556302068.db2.gz VFGVKIRLQSRLRM-GOSISDBHSA-N 1 0 461.425 5.912 50 0 JKAARO Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000013108305 556305485 /nfs/dbraw/zinc/30/54/85/556305485.db2.gz NQUNCNGDKMNMIC-GOSISDBHSA-N 1 0 497.879 5.828 50 0 JKAARO Cc1ccc(-[n+]2c(-c3ccc(Br)cc3)cn3c2CCc2ccc4cccnc4c2-3)cc1 ZINC000013110677 556311672 /nfs/dbraw/zinc/31/16/72/556311672.db2.gz XZGBHFABTFSDLU-UHFFFAOYSA-N 1 0 467.390 6.139 50 0 JKAARO CC(C)(C)c1ccc([C@H](CNC(=O)c2cc(=O)c3ccc(Br)cc3o2)[NH+]2CCCC2)cc1 ZINC000028289931 556327922 /nfs/dbraw/zinc/32/79/22/556327922.db2.gz FUAXSAYJVSLQND-NRFANRHFSA-N 1 0 497.433 5.420 50 0 JKAARO Cc1cc2oc(C(=O)NC[C@@H](c3ccc(C(C)(C)C)cc3)[NH+]3CCCC3)cc(=O)c2cc1Cl ZINC000028289091 556327942 /nfs/dbraw/zinc/32/79/42/556327942.db2.gz AXFDWPGKAZEJEG-QFIPXVFZSA-N 1 0 467.009 5.619 50 0 JKAARO Cc1cc2oc(C(=O)NC[C@H](c3ccc(C(C)C)cc3)[NH+]3CCCCC3)cc(=O)c2cc1Cl ZINC000028292692 556328950 /nfs/dbraw/zinc/32/89/50/556328950.db2.gz PIBXSHJKPDRTQB-HSZRJFAPSA-N 1 0 467.009 5.835 50 0 JKAARO O[C@H](C[NH2+]C[C@H]1CCCO1)Cn1c(-c2ccccc2)c(-c2ccccc2)c2ccc3ccccc3c21 ZINC000028296567 556330968 /nfs/dbraw/zinc/33/09/68/556330968.db2.gz XYPVNTBCLNERSY-KAYWLYCHSA-N 1 0 476.620 6.258 50 0 JKAARO COc1ccc(-c2cc3ccccc3n2C[C@H](O)C[N@H+](Cc2ccccc2)[C@@H]2CCCC[C@@H]2O)cc1 ZINC000028296602 556330997 /nfs/dbraw/zinc/33/09/97/556330997.db2.gz CPUSEDMZFOPLDE-KHMDJKJYSA-N 1 0 484.640 5.484 50 0 JKAARO C[C@H]([NH2+]C[C@H](O)Cn1c(-c2ccccc2)c(-c2ccccc2)c2ccc3ccccc3c21)c1ccccc1 ZINC000028296586 556331001 /nfs/dbraw/zinc/33/10/01/556331001.db2.gz CXYFXSXIQABKFG-QCDSWUKFSA-N 1 0 496.654 7.840 50 0 JKAARO CC[C@@H](C)[NH2+]C[C@@H](O)Cn1c2ccc(Br)cc2c2cc(Br)ccc21 ZINC000028297140 556331564 /nfs/dbraw/zinc/33/15/64/556331564.db2.gz LRXGAQSCTJRCOM-IUODEOHRSA-N 1 0 454.206 5.069 50 0 JKAARO CCc1ccc2oc(C(=O)NC[C@H](c3ccc(C(C)(C)C)cc3)[NH+]3CCCCC3)cc(=O)c2c1 ZINC000028402805 556332359 /nfs/dbraw/zinc/33/23/59/556332359.db2.gz LVLVNKOHAQZEAL-XMMPIXPASA-N 1 0 460.618 5.610 50 0 JKAARO CC[NH+](CC)[C@@H](CNC(=O)c1cc(-c2cccc(OC)c2)nc2ccccc21)c1ccc(C(C)C)cc1 ZINC000028403057 556332655 /nfs/dbraw/zinc/33/26/55/556332655.db2.gz TZMOHQSSIBUNBP-HKBQPEDESA-N 1 0 495.667 6.847 50 0 JKAARO CC(C)(C)c1ccc([C@H](CNC(=O)c2cc(=O)c3cc(Cl)ccc3o2)[NH+]2CCCCC2)cc1 ZINC000028402880 556332693 /nfs/dbraw/zinc/33/26/93/556332693.db2.gz NBSLEGAAIQMTSU-QFIPXVFZSA-N 1 0 467.009 5.701 50 0 JKAARO O[C@@H](C[NH2+]CCc1c[nH]c2ccccc12)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000028464439 556333710 /nfs/dbraw/zinc/33/37/10/556333710.db2.gz BBTFHKNAZNYZNG-IBGZPJMESA-N 1 0 452.385 5.776 50 0 JKAARO O[C@H](C[NH2+]CCc1c[nH]c2ccccc12)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000028464445 556333717 /nfs/dbraw/zinc/33/37/17/556333717.db2.gz BBTFHKNAZNYZNG-LJQANCHMSA-N 1 0 452.385 5.776 50 0 JKAARO Cn1cncc1[C@]([NH3+])(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C ZINC000028473960 556334072 /nfs/dbraw/zinc/33/40/72/556334072.db2.gz PLHJCIYEEKOWNM-MHZLTWQESA-N 1 0 489.406 5.496 50 0 in-vivo JKAARO FC(F)(F)c1ccccc1C[NH2+][C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1 ZINC000019367821 556346198 /nfs/dbraw/zinc/34/61/98/556346198.db2.gz SJOKZBTYGQAZNH-SVBPBHIXSA-N 1 0 450.548 6.090 50 0 JKAARO Clc1ccc2c(c1)[C@H](N1CC[NH+](C(c3ccccc3)c3ccccc3)CC1)Cc1ccccc1S2 ZINC000019370930 556347095 /nfs/dbraw/zinc/34/70/95/556347095.db2.gz YZCDIXDREJEZKS-MUUNZHRXSA-N 1 0 497.107 7.496 50 0 JKAARO CCOc1ccc(OC[C@H](O)C[NH2+]C[C@@H](c2c[nH]c3ccccc32)c2ccccc2Cl)cc1 ZINC000013129713 556353608 /nfs/dbraw/zinc/35/36/08/556353608.db2.gz MBIFMYHWSUMFKT-NTKDMRAZSA-N 1 0 464.993 5.381 50 0 JKAARO O=C(Nc1ccc(F)cc1)[C@@H]([NH2+]C[C@H](c1c[nH]c2ccccc21)c1ccccc1)c1ccccc1 ZINC000013131745 556358190 /nfs/dbraw/zinc/35/81/90/556358190.db2.gz UZTSBDMMRJSSJV-WNJJXGMVSA-N 1 0 463.556 6.409 50 0 JKAARO Fc1ccc(-c2csc3ncnc(N4CC[NH+](C5c6ccccc6-c6ccccc65)CC4)c23)cc1 ZINC000019682030 556359861 /nfs/dbraw/zinc/35/98/61/556359861.db2.gz GORJZIGYGWGRPV-UHFFFAOYSA-N 1 0 478.596 6.389 50 0 JKAARO O=C1c2cccc(N3CC[NH+](Cc4cccc5ccccc54)CC3)c2C(=O)N1Cc1ccsc1 ZINC000019721109 556361859 /nfs/dbraw/zinc/36/18/59/556361859.db2.gz UDVCFKRWFWDONC-UHFFFAOYSA-N 1 0 467.594 5.020 50 0 JKAARO COC(=O)c1sc2nc(C[N@H+](C)CCc3ccccc3)ccc2c1NC(=O)c1ccccc1F ZINC000019745547 556366024 /nfs/dbraw/zinc/36/60/24/556366024.db2.gz ILPSPPSFYRPIME-UHFFFAOYSA-N 1 0 477.561 5.149 50 0 JKAARO COc1cc(C)c(C[NH+](CCc2cccc(Cl)c2)Cc2cc(C)c(OC)cc2C)cc1C ZINC000019771984 556368769 /nfs/dbraw/zinc/36/87/69/556368769.db2.gz ZOVXQTMEDQPDDO-UHFFFAOYSA-N 1 0 452.038 6.836 50 0 JKAARO CCn1c2ccccc2c2cc(C[NH+]3CCN(Cc4ccc(C(F)(F)F)cc4)CC3)ccc21 ZINC000019781821 556369410 /nfs/dbraw/zinc/36/94/10/556369410.db2.gz MZDWTKAXMPSJEL-UHFFFAOYSA-N 1 0 451.536 6.151 50 0 JKAARO O=C(NCCSCc1ccccc1Cl)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000019800347 556377574 /nfs/dbraw/zinc/37/75/74/556377574.db2.gz FCZPTECQJHGMMV-UHFFFAOYSA-N 1 0 451.035 5.562 50 0 JKAARO O=C1c2ccccc2/C(=C\NC[C@H](c2ccco2)[NH+]2CCCCCC2)C(=O)N1c1ccccc1 ZINC000019820059 556388844 /nfs/dbraw/zinc/38/88/44/556388844.db2.gz FHEUVLJUAKDWOG-FLXPQLCOSA-N 1 0 455.558 5.014 50 0 JKAARO CC[NH+](CC)CCC[C@@H](C)Nc1cc(/C=C\c2ccccc2Cl)nc2cc(Cl)ccc21 ZINC000031490219 556397980 /nfs/dbraw/zinc/39/79/80/556397980.db2.gz CMLVHSVFSYNMGM-LUQQZNFBSA-N 1 0 456.461 7.634 50 0 JKAARO CC(C)(C)c1ccc(C(=O)CCC[NH+]2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000031982451 556412266 /nfs/dbraw/zinc/41/22/66/556412266.db2.gz YCADFOXVGUGHRV-UHFFFAOYSA-N 1 0 469.669 6.595 50 0 JKAARO CCNC(=O)[C@@H]1C[C@H]([NH2+]Cc2cccc(Oc3ccccc3)c2)CN1Cc1cccc2ccccc21 ZINC000032511826 556443888 /nfs/dbraw/zinc/44/38/88/556443888.db2.gz XUGFIVOUFMBGES-YZNIXAGQSA-N 1 0 479.624 5.501 50 0 JKAARO Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1cccc(OCc2ccccc2)c1)N(CCC[NH+](C)C)C3=O ZINC000032593443 556447524 /nfs/dbraw/zinc/44/75/24/556447524.db2.gz ACUQTOYQROJKET-MHZLTWQESA-N 1 0 482.580 5.177 50 0 JKAARO Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1cccc(OCc2ccccc2)c1)N(CCC[NH+](C)C)C3=O ZINC000032593444 556447584 /nfs/dbraw/zinc/44/75/84/556447584.db2.gz ACUQTOYQROJKET-HHHXNRCGSA-N 1 0 482.580 5.177 50 0 JKAARO Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(OCc2ccccc2)cc1)N(CCC[NH+](C)C)C3=O ZINC000032593441 556447597 /nfs/dbraw/zinc/44/75/97/556447597.db2.gz ZLKJKJYZWRMULG-MHZLTWQESA-N 1 0 482.580 5.177 50 0 JKAARO CC(C)(C)c1ccc([C@@H](CNC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)[NH+]2CCCCC2)cc1 ZINC000032622685 556452321 /nfs/dbraw/zinc/45/23/21/556452321.db2.gz OVXNRVVTFGUKHZ-XMMPIXPASA-N 1 0 489.616 5.367 50 0 JKAARO CCCCOc1cccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCC[NH+](C)C)c1 ZINC000032622848 556452777 /nfs/dbraw/zinc/45/27/77/556452777.db2.gz HRYDGBRYSOLZNE-HSZRJFAPSA-N 1 0 468.981 5.122 50 0 JKAARO CC[NH+](CC)CCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@H]1c1ccc(SC)cc1 ZINC000032623773 556453645 /nfs/dbraw/zinc/45/36/45/556453645.db2.gz SALYMEOEGTZGPF-JOCHJYFZSA-N 1 0 471.022 5.445 50 0 JKAARO CC[NH+](CC)CCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000032623764 556453663 /nfs/dbraw/zinc/45/36/63/556453663.db2.gz JHUIETCDVAVJFX-NRFANRHFSA-N 1 0 493.818 6.030 50 0 JKAARO CC[NH+](CC)CCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@@H]1c1ccc(SC)cc1 ZINC000032623771 556453687 /nfs/dbraw/zinc/45/36/87/556453687.db2.gz SALYMEOEGTZGPF-QFIPXVFZSA-N 1 0 471.022 5.445 50 0 JKAARO COc1ccc(NC(C)=O)cc1NC(=O)C[N@H+](Cc1ccc(Cl)cc1)[C@@H](C)Cc1cccs1 ZINC000032836185 556507210 /nfs/dbraw/zinc/50/72/10/556507210.db2.gz QYVZLODPMBUKRN-KRWDZBQOSA-N 1 0 486.037 5.440 50 0 JKAARO Cc1nc(-c2ccc(F)cc2)c(CC(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)s1 ZINC000032900657 556528098 /nfs/dbraw/zinc/52/80/98/556528098.db2.gz ULYSWJFZUIGXDU-UHFFFAOYSA-N 1 0 451.611 6.203 50 0 JKAARO O=C(CCc1ncc(-c2ccccc2)o1)Nc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000032912915 556537242 /nfs/dbraw/zinc/53/72/42/556537242.db2.gz MYMBZIKSHLBOHO-UHFFFAOYSA-N 1 0 480.612 5.231 50 0 JKAARO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2ccccc2OCc2ccccc2Cl)cc1 ZINC000032958321 556572271 /nfs/dbraw/zinc/57/22/71/556572271.db2.gz DBDULAFELGTZEP-UHFFFAOYSA-N 1 0 480.008 5.243 50 0 JKAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1[nH]c2ccccc2c1Sc1ccc(Cl)cc1 ZINC000008587627 562941196 /nfs/dbraw/zinc/94/11/96/562941196.db2.gz BVSUHJNFENPVAJ-LJQANCHMSA-N 1 0 456.055 6.357 50 0 JKAARO C[NH+](C)CCNC(=O)c1ccc2c(c1)N(Cc1c(F)cccc1Cl)C(=O)c1ccccc1S2 ZINC000008595283 562943735 /nfs/dbraw/zinc/94/37/35/562943735.db2.gz GLWYWYFMOQZWFQ-UHFFFAOYSA-N 1 0 483.996 5.082 50 0 JKAARO CC(C)Oc1ccc(CNC(=O)C2CC[NH+](Cc3cc4ccccc4n3Cc3ccccc3)CC2)cc1 ZINC000008602112 562945792 /nfs/dbraw/zinc/94/57/92/562945792.db2.gz FKTSWTSXWKVTPV-UHFFFAOYSA-N 1 0 495.667 6.005 50 0 JKAARO CCCC[NH+](CCCC)C[C@@H](O)c1cc(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cc12 ZINC000008651782 562948489 /nfs/dbraw/zinc/94/84/89/562948489.db2.gz YUZOLQMLSSEUPF-XMMPIXPASA-N 1 0 479.879 7.798 50 0 JKAARO COc1ccc2cc([C@@H](C)[NH2+]C3CCN(c4cccc(NC(=O)c5ccncc5)c4)CC3)ccc2c1 ZINC000011912466 562957906 /nfs/dbraw/zinc/95/79/06/562957906.db2.gz WLTHMBAKLYFOFC-OAQYLSRUSA-N 1 0 480.612 5.815 50 0 JKAARO Cc1ccc(NC(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)cc1Nc1nc(-c2cccnc2)cs1 ZINC000034177219 563112398 /nfs/dbraw/zinc/11/23/98/563112398.db2.gz WJEOLQLKVOPQFV-UHFFFAOYSA-N 1 0 498.656 5.257 50 0 investigational JKAARO O=C(CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)N(c1ccccc1)c1ccccc1 ZINC000035622996 563120309 /nfs/dbraw/zinc/12/03/09/563120309.db2.gz QXNYWQVYZYCACA-UHFFFAOYSA-N 1 0 461.609 5.759 50 0 JKAARO FC(F)(F)c1ccccc1C[NH2+][C@@H]1C2CCN(CC2)[C@@H]1C(c1ccccc1)c1ccccc1 ZINC000036324059 563125790 /nfs/dbraw/zinc/12/57/90/563125790.db2.gz SJOKZBTYGQAZNH-KAYWLYCHSA-N 1 0 450.548 6.090 50 0 JKAARO O=C(Nc1ccc(C(=O)OC[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1)c1ccc(Cl)c(Cl)c1 ZINC000043965032 563171420 /nfs/dbraw/zinc/17/14/20/563171420.db2.gz LDMHMMCRJKBPKT-AVRDEDQJSA-N 1 0 461.389 5.667 50 0 JKAARO Cc1sc(NC(=O)c2ccco2)c([C@@H](c2ccccc2)[NH+]2CCN(c3ccccc3)CC2)c1C ZINC000054072999 569589138 /nfs/dbraw/zinc/58/91/38/569589138.db2.gz NXGDGLDPBAJPDT-AREMUKBSSA-N 1 0 471.626 6.122 50 0 JKAARO c1ccc(C(OCC[NH+]2CCN(c3ncnc4sc5c(c43)CCCC5)CC2)c2ccccc2)cc1 ZINC000054074883 569589147 /nfs/dbraw/zinc/58/91/47/569589147.db2.gz ZPJWZFLVKXZZHF-UHFFFAOYSA-N 1 0 484.669 5.498 50 0 JKAARO Cc1sc(NC(=O)c2ccco2)c([C@H](c2ccc(C)cc2)[NH+]2CCN(c3ccccc3)CC2)c1C ZINC000054073004 569589149 /nfs/dbraw/zinc/58/91/49/569589149.db2.gz LBCPBYGOHLJIDS-MHZLTWQESA-N 1 0 485.653 6.430 50 0 JKAARO Clc1ccc(-c2csc3ncnc(N4CC[NH+](CCOc5ccccc5)CC4)c23)cc1 ZINC000054290404 569589733 /nfs/dbraw/zinc/58/97/33/569589733.db2.gz IWMWVBRCNBFKLK-UHFFFAOYSA-N 1 0 450.995 5.213 50 0 JKAARO COC(=O)c1sc2nc(C[N@H+](C)[C@@H](C)c3cccs3)ccc2c1NC(=O)c1ccccc1 ZINC000055283473 569591532 /nfs/dbraw/zinc/59/15/32/569591532.db2.gz KHXITVDDOYJKHA-HNNXBMFYSA-N 1 0 465.600 5.590 50 0 JKAARO COC(=O)c1sc2nc(C[N@H+](C)Cc3ccccc3)ccc2c1NC(=O)C1(c2ccccc2)CC1 ZINC000055327176 569591632 /nfs/dbraw/zinc/59/16/32/569591632.db2.gz WJSWRQZLEIWBKE-UHFFFAOYSA-N 1 0 485.609 5.385 50 0 JKAARO CC(C)(C)c1ccc(OCC(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)cc1 ZINC000055529495 569592091 /nfs/dbraw/zinc/59/20/91/569592091.db2.gz WVAOWTLFIUJCAT-UHFFFAOYSA-N 1 0 457.618 5.324 50 0 JKAARO Cc1c(C)c(C)c([PH+](C(C)(C)C)C(C)(C)C)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1C ZINC000056961829 569593567 /nfs/dbraw/zinc/59/35/67/569593567.db2.gz RCRYEYMHBHPZQD-UHFFFAOYSA-N 1 0 480.761 10.662 50 0 JKAARO Cc1ccc(C2=C(Cl)/C(=C\C[NH+]3CCCCC3)[C@H](c3ccc(F)cc3)c3ccccc3O2)cc1 ZINC000057063755 569594229 /nfs/dbraw/zinc/59/42/29/569594229.db2.gz XQSOUHWKXMZLIJ-YNMQQHPQSA-N 1 0 474.019 7.678 50 0 JKAARO COC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(NC(=O)c2ccc(C(C)C)cc2)c1 ZINC000057222726 569594737 /nfs/dbraw/zinc/59/47/37/569594737.db2.gz DNDJONWNHTWHFW-UHFFFAOYSA-N 1 0 471.601 5.171 50 0 JKAARO Cc1ccc2c(c3c(n2CC[NH+](Cc2ccccc2)Cc2ccccc2)C(=O)CCC3)c1Cl ZINC000057294268 569596021 /nfs/dbraw/zinc/59/60/21/569596021.db2.gz ZBAHOGMELDDUAO-UHFFFAOYSA-N 1 0 457.017 6.825 50 0 JKAARO CCOc1ccc(NC(=O)c2c(NC(=O)C[NH2+]Cc3ccccc3)sc3c2CC[C@H](C)C3)cc1 ZINC000057311654 569596323 /nfs/dbraw/zinc/59/63/23/569596323.db2.gz FEGYTSUNBYXCEP-SFHVURJKSA-N 1 0 477.630 5.252 50 0 JKAARO CCCOC(=O)c1ccc2[nH]c(C)c(C[NH+](Cc3ccccc3)Cc3ccccc3)c(=O)c2c1 ZINC000008717192 569596655 /nfs/dbraw/zinc/59/66/55/569596655.db2.gz CNQOLNOFRIRXGY-UHFFFAOYSA-N 1 0 454.570 6.018 50 0 JKAARO Brc1ccc2c(c1)[C@H]1CC(c3ccccc3)=NN1C1(CC[NH+](Cc3ccccc3)CC1)O2 ZINC000008717724 569596786 /nfs/dbraw/zinc/59/67/86/569596786.db2.gz CGHKKQLRHSOHMO-RUZDIDTESA-N 1 0 488.429 5.985 50 0 JKAARO COc1cccc2c1OC1(CC[NH+](Cc3ccccc3)CC1)N1N=C(c3ccc(F)cc3)C[C@H]21 ZINC000008717745 569596841 /nfs/dbraw/zinc/59/68/41/569596841.db2.gz AFCWOZSDBTXAMO-RUZDIDTESA-N 1 0 457.549 5.370 50 0 JKAARO CC[NH+]1CCN(c2ccc(NC(=O)c3ccccc3SCC(=O)Nc3ccc(C)cc3)cc2)CC1 ZINC000008726463 569600752 /nfs/dbraw/zinc/60/07/52/569600752.db2.gz YWFHBSPYDRQBOP-UHFFFAOYSA-N 1 0 488.657 5.120 50 0 JKAARO Cc1ccc(-c2nn(-c3ccccc3)cc2CCC(=O)NCCC[N@@H+](C)C2CCCCC2)cc1 ZINC000032974945 569606023 /nfs/dbraw/zinc/60/60/23/569606023.db2.gz HZXSUZLJMGCWKL-UHFFFAOYSA-N 1 0 458.650 5.551 50 0 JKAARO CC[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1cccc(Cl)c1)O2 ZINC000032984028 569607261 /nfs/dbraw/zinc/60/72/61/569607261.db2.gz PHUSKVXGMXQXPT-OJLHXUGZSA-N 1 0 490.003 5.352 50 0 JKAARO C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000060377481 569608906 /nfs/dbraw/zinc/60/89/06/569608906.db2.gz IPGUQZDKRRNXQU-QGZVFWFLSA-N 1 0 467.963 5.530 50 0 JKAARO CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)[C@@H]3C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000061996994 569609617 /nfs/dbraw/zinc/60/96/17/569609617.db2.gz JWYNWNZVYGMCGY-AFFJLAOCSA-N 1 0 462.556 5.286 50 0 biogenic JKAARO Clc1ccc(-c2nc3nc(-c4ccccc4)nc(N4CC[NH+](CCc5ccccn5)CC4)c3o2)cc1 ZINC000061997362 569609762 /nfs/dbraw/zinc/60/97/62/569609762.db2.gz VSBJXNGSWLZTTA-UHFFFAOYSA-N 1 0 497.002 5.365 50 0 JKAARO Clc1ccc(-c2nc3nc(-c4ccccc4)nc(N4CC[NH+](CCc5ccncc5)CC4)c3o2)cc1 ZINC000061997354 569609809 /nfs/dbraw/zinc/60/98/09/569609809.db2.gz CHXBSSUXNIHZBK-UHFFFAOYSA-N 1 0 497.002 5.365 50 0 JKAARO CCOC(=O)c1c(-c2ccccc2)oc2ccc(OC(=O)c3ccc(Cl)cc3)c(C[NH+](C)C)c21 ZINC000062718619 569614520 /nfs/dbraw/zinc/61/45/20/569614520.db2.gz JIXPASOGTPURNU-UHFFFAOYSA-N 1 0 477.944 6.211 50 0 JKAARO Cc1c(C[NH2+]CCC[N@H+](Cc2ccccc2)C(C)C)c(C(=O)[O-])c(C)n1Cc1ccc(Cl)cc1 ZINC000063666788 569616007 /nfs/dbraw/zinc/61/60/07/569616007.db2.gz VJVYHYJEFYGNBL-UHFFFAOYSA-N 1 0 482.068 5.895 50 0 JKAARO Cc1nn(-c2ccccc2)c2sc(C(=O)NCCC[NH+]3CCC(Cc4ccccc4)CC3)cc12 ZINC000064567884 569619906 /nfs/dbraw/zinc/61/99/06/569619906.db2.gz IUUIZSBNCKMKRW-UHFFFAOYSA-N 1 0 472.658 5.470 50 0 JKAARO Cc1ccc(-c2nccc(Nc3cccc(C(=O)NCCC[N@@H+](C)Cc4ccccc4)c3)n2)cc1 ZINC000033025256 569620635 /nfs/dbraw/zinc/62/06/35/569620635.db2.gz GHHSWAAQFIJUSD-UHFFFAOYSA-N 1 0 465.601 5.448 50 0 JKAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cccc(Nc2ccnc(-c3cccc(F)c3)n2)c1 ZINC000033025337 569620697 /nfs/dbraw/zinc/62/06/97/569620697.db2.gz WBFONXHGFVFWNN-UHFFFAOYSA-N 1 0 481.575 5.421 50 0 JKAARO CC[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1cc2c(-c3ccc(Cl)cc3)nn(C)c2s1 ZINC000064666429 569623853 /nfs/dbraw/zinc/62/38/53/569623853.db2.gz JJQHPANFCZTJIG-HXUWFJFHSA-N 1 0 467.038 5.596 50 0 JKAARO COc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(NC4CCCCC4)nc(C)[nH+]3)cc2)cc1 ZINC000033326891 569624045 /nfs/dbraw/zinc/62/40/45/569624045.db2.gz APMSNDRYEUSKJX-UHFFFAOYSA-N 1 0 467.595 5.083 50 0 JKAARO Cc1cccc(S(=O)(=O)Nc2ccc(Nc3cc(NC4CCCCC4)nc(C)[nH+]3)cc2)c1 ZINC000033326886 569624081 /nfs/dbraw/zinc/62/40/81/569624081.db2.gz VRLROUQGGWJWPZ-UHFFFAOYSA-N 1 0 451.596 5.382 50 0 JKAARO Cc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(NC4CCCCC4)nc(C)[nH+]3)cc2)cc1C ZINC000033326889 569624129 /nfs/dbraw/zinc/62/41/29/569624129.db2.gz XWLQNHAPGQLIBO-UHFFFAOYSA-N 1 0 465.623 5.691 50 0 JKAARO CCOc1ccc(-c2nc3sc(N4CC[NH+](C5CCCCC5)CC4)nn3c2NC(C)(C)C)cc1 ZINC000064746123 569625314 /nfs/dbraw/zinc/62/53/14/569625314.db2.gz JCAFUQGVPLWBAB-UHFFFAOYSA-N 1 0 482.698 5.522 50 0 JKAARO Cc1ccc(C)c(C[NH+]2CCN(c3nn4c(nc(-c5ccccc5)c4NC(C)(C)C)s3)CC2)c1 ZINC000064746791 569625856 /nfs/dbraw/zinc/62/58/56/569625856.db2.gz PGCFZDSTUQYKNA-UHFFFAOYSA-N 1 0 474.678 5.607 50 0 JKAARO Cc1cccc(-c2nc3sc(N4CC[NH+](Cc5ccccc5C)CC4)nn3c2NC(C)(C)C)c1 ZINC000064746803 569625864 /nfs/dbraw/zinc/62/58/64/569625864.db2.gz UBZRIKBRMVUKOF-UHFFFAOYSA-N 1 0 474.678 5.607 50 0 JKAARO C[N@H+](CCCNC(=O)Cn1c(-c2cccs2)cc2cc(Cl)ccc21)Cc1ccccc1 ZINC000064816530 569633539 /nfs/dbraw/zinc/63/35/39/569633539.db2.gz MXEJRBMLDLFLNC-UHFFFAOYSA-N 1 0 452.023 5.662 50 0 JKAARO CC[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)Cn1c(-c2cccs2)cc2cc(Cl)ccc21 ZINC000064816537 569633557 /nfs/dbraw/zinc/63/35/57/569633557.db2.gz YZBXCZLGFGKXPD-JOCHJYFZSA-N 1 0 466.050 6.050 50 0 JKAARO O=C(Cn1c(-c2cccs2)cc2cc(Cl)ccc21)NCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000064816535 569633585 /nfs/dbraw/zinc/63/35/85/569633585.db2.gz JONVTFJLZGZWIL-UHFFFAOYSA-N 1 0 492.088 6.094 50 0 JKAARO Cc1ccc(Cn2cc([C@H](CC(=O)NCC[NH+](C)C)c3ccc(F)cc3)c3ccccc32)cc1 ZINC000033784435 569634905 /nfs/dbraw/zinc/63/49/05/569634905.db2.gz NQGMAITWKVJPGC-AREMUKBSSA-N 1 0 457.593 5.337 50 0 JKAARO COc1c2c(cc3c1[C@H](C[C@H](O)c1cc(C(C)(C)C)cc4c1CCC4(C)C)[N@H+](C)CC3)OCO2 ZINC000033891531 569637057 /nfs/dbraw/zinc/63/70/57/569637057.db2.gz XVPULKCGCVRRPV-GOTSBHOMSA-N 1 0 465.634 5.598 50 0 biogenic JKAARO Cc1ccc2c(c1)[C@H]([NH+]1CCN(CCCn3c4ccccc4[nH]c3=O)CC1)c1ccccc1CS2 ZINC000033901129 569637236 /nfs/dbraw/zinc/63/72/36/569637236.db2.gz SBMXQZNPYGSVFF-MUUNZHRXSA-N 1 0 484.669 5.041 50 0 JKAARO Cc1ccc(-c2ccc(SCc3cccc(C(=O)NCCC[N@H+]4CCCC[C@H]4C)c3)nn2)cc1 ZINC000033941922 569639340 /nfs/dbraw/zinc/63/93/40/569639340.db2.gz IRQVCWPZGRXJBJ-JOCHJYFZSA-N 1 0 474.674 5.739 50 0 JKAARO CN1c2ccccc2C(C)(C)/C1=C/C=C1\CCC(/C=C/C2=[N+](C)c3ccccc3C2(C)C)=C1Cl ZINC000034349820 569639991 /nfs/dbraw/zinc/63/99/91/569639991.db2.gz MXPJNKUYLFSVGS-UHFFFAOYSA-N 1 0 470.080 7.773 50 0 JKAARO CC[C@@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@@H+](Cc1cccc(C)c1)CC2)C(=O)NCC(C)C ZINC000034671635 569640715 /nfs/dbraw/zinc/64/07/15/569640715.db2.gz CAERHAIDLRUAHF-LOYHVIPDSA-N 1 0 470.657 6.072 50 0 JKAARO COc1ccc(CCNC(=O)[C@@H]2CC[C@H](c3ccccc3)[N@H+](Cc3cccc(OC)c3)C2)cc1 ZINC000034669888 569640754 /nfs/dbraw/zinc/64/07/54/569640754.db2.gz QLGTWQMVYIQEOU-LEAFIULHSA-N 1 0 458.602 5.016 50 0 JKAARO COc1ccc(CCNC(=O)[C@@H]2CC[C@@H](c3ccccc3)[N@H+](Cc3cccc(OC)c3)C2)cc1 ZINC000034669893 569640827 /nfs/dbraw/zinc/64/08/27/569640827.db2.gz QLGTWQMVYIQEOU-NAKRPHOHSA-N 1 0 458.602 5.016 50 0 JKAARO COc1cccc(C[N@@H+]2C[C@@H](C(=O)NCc3cccc(C(F)(F)F)c3)CC[C@@H]2c2ccccc2)c1 ZINC000034669816 569640830 /nfs/dbraw/zinc/64/08/30/569640830.db2.gz QRDBQBIDDYPYCH-JYFHCDHNSA-N 1 0 482.546 5.984 50 0 JKAARO CC[C@H](Oc1ccc2c(c1)[C@H](c1ccccc1)[N@@H+](Cc1cccc(C)c1)CC2)C(=O)NCCOC ZINC000034671638 569640851 /nfs/dbraw/zinc/64/08/51/569640851.db2.gz QPSONGGBLIJULB-VMPREFPWSA-N 1 0 472.629 5.063 50 0 JKAARO CC[C@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@@H+](Cc1cccc(C)c1)CC2)C(=O)NC(C)C ZINC000034671675 569640904 /nfs/dbraw/zinc/64/09/04/569640904.db2.gz WSKMESBHYOFRMV-URLMMPGGSA-N 1 0 456.630 5.825 50 0 JKAARO CC[C@@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@@H+](Cc1cccc(C)c1)CC2)C(=O)NCc1ccco1 ZINC000034671655 569640911 /nfs/dbraw/zinc/64/09/11/569640911.db2.gz WIGVXPPVVIUFFQ-FIRIVFDPSA-N 1 0 494.635 6.210 50 0 JKAARO CC[C@H](Oc1ccc2c(c1)[C@H](c1ccccc1)[N@@H+](Cc1cccc(C)c1)CC2)C(=O)NC[C@H]1CCCO1 ZINC000034671749 569640937 /nfs/dbraw/zinc/64/09/37/569640937.db2.gz WEXYDHIQPYZQSU-LMERMFHRSA-N 1 0 498.667 5.595 50 0 JKAARO CCCNC(=O)[C@@H](CC)Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@@H+](Cc1cccc(C)c1)CC2 ZINC000034671704 569641024 /nfs/dbraw/zinc/64/10/24/569641024.db2.gz SQTNFYWNXNCNAR-FQLXRVMXSA-N 1 0 456.630 5.826 50 0 JKAARO O=C(Cc1ccc(N(Cc2ccccc2)C(=O)c2ccc(Cl)cc2)cc1)NCC[NH+]1CCCCC1 ZINC000034679872 569642870 /nfs/dbraw/zinc/64/28/70/569642870.db2.gz UNQKJCFQSCLUSC-UHFFFAOYSA-N 1 0 490.047 5.332 50 0 JKAARO O=C(Cc1ccc(N(Cc2cccc(F)c2)C(=O)c2ccc(Cl)cc2)cc1)NCC[NH+]1CCCC1 ZINC000034680010 569642912 /nfs/dbraw/zinc/64/29/12/569642912.db2.gz CGBPDTYJLPEBQL-UHFFFAOYSA-N 1 0 494.010 5.081 50 0 JKAARO COc1ccc(C[N@@H+]2CCCN(c3ccc(NC(=O)c4ccc(C(C)(C)C)cc4)cn3)CC2)cc1 ZINC000034681633 569643306 /nfs/dbraw/zinc/64/33/06/569643306.db2.gz RFFGEAKAIWWXRG-UHFFFAOYSA-N 1 0 472.633 5.352 50 0 JKAARO CC(C)c1ccc(C[N@@H+]2CCCN(c3ccc(NC(=O)c4ccc(C(C)(C)C)cc4)cn3)CC2)cc1 ZINC000034681642 569643380 /nfs/dbraw/zinc/64/33/80/569643380.db2.gz GJBMIAHBKZGAQT-UHFFFAOYSA-N 1 0 484.688 6.467 50 0 JKAARO CC[C@@H](C(=O)Nc1ccc(N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)nc1)c1ccccc1 ZINC000034681876 569643517 /nfs/dbraw/zinc/64/35/17/569643517.db2.gz PXDKCAMAIWCDHX-RUZDIDTESA-N 1 0 496.577 5.945 50 0 JKAARO O=C(Nc1ccc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)nc1)c1ccccc1C(F)(F)F ZINC000034681947 569643808 /nfs/dbraw/zinc/64/38/08/569643808.db2.gz ZLSLMSVDGSVSSQ-UHFFFAOYSA-N 1 0 472.486 5.204 50 0 JKAARO Cc1ccc(C(=O)N(c2ccccc2)C2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000034682543 569643893 /nfs/dbraw/zinc/64/38/93/569643893.db2.gz LJSQJJLFZUBAPR-UHFFFAOYSA-N 1 0 452.520 6.325 50 0 JKAARO Cc1ccc(N(C(=O)c2ccc(F)cc2)C2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000034682893 569644060 /nfs/dbraw/zinc/64/40/60/569644060.db2.gz CPJYHGDMIOOMDH-UHFFFAOYSA-N 1 0 470.510 6.464 50 0 JKAARO COc1cccc(N(C(=O)c2cccc(Cl)c2)C2CC[NH+](Cc3ccc(OC)cc3OC)CC2)c1 ZINC000034682706 569644073 /nfs/dbraw/zinc/64/40/73/569644073.db2.gz ZPZJCTCVEHOVNB-UHFFFAOYSA-N 1 0 495.019 5.677 50 0 JKAARO COc1ccc(C[NH+]2CCC(N(C(=O)c3ccccc3)c3ccc(OC)c(OC)c3)CC2)c(OC)c1 ZINC000034682867 569644118 /nfs/dbraw/zinc/64/41/18/569644118.db2.gz RUFAHRNQTNEOJX-UHFFFAOYSA-N 1 0 490.600 5.032 50 0 JKAARO COc1ccc(N(C(=O)c2ccccc2)C2CC[NH+](Cc3ccc(OC)cc3OC)CC2)cc1 ZINC000034682813 569644122 /nfs/dbraw/zinc/64/41/22/569644122.db2.gz VULURSZMYYWRSU-UHFFFAOYSA-N 1 0 460.574 5.024 50 0 JKAARO CCc1ccc(N(C(=O)c2ccc(F)cc2)C2CC[NH+](Cc3ccc(OC)cc3OC)CC2)cc1 ZINC000034683059 569644125 /nfs/dbraw/zinc/64/41/25/569644125.db2.gz RYERLALYMYKDQB-UHFFFAOYSA-N 1 0 476.592 5.717 50 0 JKAARO COc1ccc(OC)c(C[NH+]2CCC(N(C(=O)c3ccccc3OC)c3cccc(C)c3)CC2)c1 ZINC000034683051 569644142 /nfs/dbraw/zinc/64/41/42/569644142.db2.gz FIXGBRKCZSEHAV-UHFFFAOYSA-N 1 0 474.601 5.332 50 0 JKAARO CCCC(=O)N(c1ccc(OC)c(OC)c1)C1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000034682884 569644190 /nfs/dbraw/zinc/64/41/90/569644190.db2.gz OODOAFLDLTXFSW-UHFFFAOYSA-N 1 0 464.528 5.520 50 0 JKAARO COc1cccc(N(C(=O)c2cccs2)C2CC[NH+](Cc3cccc(OC)c3OC)CC2)c1 ZINC000034683159 569644248 /nfs/dbraw/zinc/64/42/48/569644248.db2.gz ZMTGFRIHKRTVME-UHFFFAOYSA-N 1 0 466.603 5.085 50 0 JKAARO COc1ccc(C(=O)N(c2cccc(OC)c2)C2CC[NH+](Cc3cc(OC)ccc3OC)CC2)cc1 ZINC000034683174 569644304 /nfs/dbraw/zinc/64/43/04/569644304.db2.gz DTKUKAOMMVATDK-UHFFFAOYSA-N 1 0 490.600 5.032 50 0 JKAARO O=C(c1ccccc1)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccccc2C(F)(F)F)CC1 ZINC000034683557 569644433 /nfs/dbraw/zinc/64/44/33/569644433.db2.gz BMPFEVYYJULUFG-UHFFFAOYSA-N 1 0 456.483 6.156 50 0 JKAARO COc1cc(C[NH+]2CCC(N(C(=O)c3cccc(Cl)c3)c3ccc(F)cc3)CC2)ccc1O ZINC000034683593 569644469 /nfs/dbraw/zinc/64/44/69/569644469.db2.gz MMWYZXIPXRXTMA-UHFFFAOYSA-N 1 0 468.956 5.505 50 0 JKAARO CC(C)c1ccc(C[NH+]2CCC(N(c3ccc(F)cc3)S(=O)(=O)c3ccc(F)cc3)CC2)cc1 ZINC000034683710 569644500 /nfs/dbraw/zinc/64/45/00/569644500.db2.gz OHWNZAQRRKKIKV-UHFFFAOYSA-N 1 0 484.612 5.948 50 0 JKAARO COc1ccc(C(=O)N(c2ccc(F)cc2)C2CC[NH+](Cc3ccccc3C(F)(F)F)CC2)cc1 ZINC000034683535 569644545 /nfs/dbraw/zinc/64/45/45/569644545.db2.gz XXINMSJJJDZDGT-UHFFFAOYSA-N 1 0 486.509 6.165 50 0 JKAARO Cc1ccc(C[NH+]2CCC(N(c3ccc(F)cc3)S(=O)(=O)c3ccc(F)cc3)CC2)cc1C ZINC000034683923 569644834 /nfs/dbraw/zinc/64/48/34/569644834.db2.gz WSUCMRARTRMLBB-UHFFFAOYSA-N 1 0 470.585 5.442 50 0 JKAARO Cc1ccc(S(=O)(=O)N(c2ccc(F)cc2)C2CC[NH+](Cc3ccc(C)c(C)c3)CC2)cc1 ZINC000034683916 569644840 /nfs/dbraw/zinc/64/48/40/569644840.db2.gz KNPZTEACWPCXNG-UHFFFAOYSA-N 1 0 466.622 5.611 50 0 JKAARO CCNC(=O)c1ccc(COc2ccc3c(c2)[C@H](c2ccccc2)[N@@H+](Cc2ccccc2)CC3)o1 ZINC000034685557 569645072 /nfs/dbraw/zinc/64/50/72/569645072.db2.gz DFYIPDGXISMAKF-LJAQVGFWSA-N 1 0 466.581 5.756 50 0 JKAARO CCNC(=O)c1ccc(COc2ccc3c(c2)[C@@H](c2ccccc2)[N@@H+](Cc2ccccc2)CC3)o1 ZINC000034685558 569645187 /nfs/dbraw/zinc/64/51/87/569645187.db2.gz DFYIPDGXISMAKF-GDLZYMKVSA-N 1 0 466.581 5.756 50 0 JKAARO Cc1cccc(C[N@H+]2CCc3ccc(O[C@@H](C)C(=O)N(C)Cc4ccco4)cc3[C@H]2c2ccccc2)c1 ZINC000034686596 569645480 /nfs/dbraw/zinc/64/54/80/569645480.db2.gz VUFGREGMGZHINS-QXNWPYRLSA-N 1 0 494.635 6.162 50 0 JKAARO Cc1cccc(C[N@H+]2CCc3ccc(O[C@@H](C)C(=O)N(C)Cc4ccco4)cc3[C@@H]2c2ccccc2)c1 ZINC000034686595 569645499 /nfs/dbraw/zinc/64/54/99/569645499.db2.gz VUFGREGMGZHINS-DLLPINGYSA-N 1 0 494.635 6.162 50 0 JKAARO O=C(c1cccc(C(F)(F)F)c1)N1C[C@H](C[NH+]2CCCCC2)[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000034698007 569647652 /nfs/dbraw/zinc/64/76/52/569647652.db2.gz AQQOPJFNVBBJMU-UGKGYDQZSA-N 1 0 484.484 6.066 50 0 JKAARO Cc1ccc([C@H]2CN(C(=O)c3cccc(C(F)(F)F)c3)C[C@H]2C[N@@H+](C)C2CCCCC2)cc1 ZINC000034697829 569647694 /nfs/dbraw/zinc/64/76/94/569647694.db2.gz WMRSJTJRQMPTAT-RCZVLFRGSA-N 1 0 458.568 6.134 50 0 JKAARO O=C(c1cccc(C(F)(F)F)c1)N1C[C@H](C[NH+]2CCCCC2)[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000034698008 569647696 /nfs/dbraw/zinc/64/76/96/569647696.db2.gz AQQOPJFNVBBJMU-SIKLNZKXSA-N 1 0 484.484 6.066 50 0 JKAARO O=C(NCCC[NH+]1CCC(Cc2ccccc2)CC1)c1ccc2nc(Cc3ccccc3)oc2c1 ZINC000064967975 569647745 /nfs/dbraw/zinc/64/77/45/569647745.db2.gz IPBAROZPRKYONL-UHFFFAOYSA-N 1 0 467.613 5.493 50 0 JKAARO COc1ccc(C(=O)N2C[C@H](C[NH+]3CCC(Cc4ccccc4)CC3)[C@@H](c3ccccc3OC)C2)cc1 ZINC000034698523 569647766 /nfs/dbraw/zinc/64/77/66/569647766.db2.gz KEUJFYNLYGCRQY-FIBWVYCGSA-N 1 0 498.667 5.514 50 0 JKAARO COc1ccc(C(=O)N2C[C@@H](C[NH+]3CCC(Cc4ccccc4)CC3)[C@@H](c3ccccc3OC)C2)cc1 ZINC000034698524 569647848 /nfs/dbraw/zinc/64/78/48/569647848.db2.gz KEUJFYNLYGCRQY-OFSOJUDTSA-N 1 0 498.667 5.514 50 0 JKAARO Cc1ccsc1C[N@H+]1C[C@@H](c2ccccc2C)[C@@H](CN(C(=O)c2ccccc2)C2CCCCC2)C1 ZINC000034698872 569647936 /nfs/dbraw/zinc/64/79/36/569647936.db2.gz SJIURQUFXQNXTF-GGXMVOPNSA-N 1 0 486.725 7.056 50 0 JKAARO COc1ccccc1C[N@@H+]1C[C@H](CN(CC(C)C)C(=O)c2ccccc2)[C@@H](c2ccccc2OC)C1 ZINC000034698897 569647957 /nfs/dbraw/zinc/64/79/57/569647957.db2.gz PCVMLOOBHWLPSI-IAPPQJPRSA-N 1 0 486.656 5.718 50 0 JKAARO Cc1cc(C[N@H+]2C[C@H](CN(C(=O)c3ccc(F)cc3)C(C)C)[C@@H](c3ccccc3C)C2)oc1C ZINC000034698769 569647972 /nfs/dbraw/zinc/64/79/72/569647972.db2.gz YZTWRCXSUHPZBH-YWEHKCAJSA-N 1 0 462.609 6.110 50 0 JKAARO Cc1ccsc1C[N@@H+]1C[C@H](CN(C(=O)c2ccccc2)C2CCCCC2)[C@@H](c2ccccc2C)C1 ZINC000034698873 569647987 /nfs/dbraw/zinc/64/79/87/569647987.db2.gz SJIURQUFXQNXTF-UHSQPCAPSA-N 1 0 486.725 7.056 50 0 JKAARO COc1cccc(C[N@@H+]2C[C@H](CN(C(=O)c3ccccc3)C3CCCCC3)[C@@H](c3ccccc3C)C2)c1 ZINC000034698881 569648006 /nfs/dbraw/zinc/64/80/06/569648006.db2.gz BBKBBTKIUNGKKV-NSJVFKKDSA-N 1 0 496.695 6.694 50 0 JKAARO Cc1ccc(C[N@H+]2C[C@@H](c3ccccc3C)[C@@H](CN(C(=O)c3ccc(F)cc3)C3CCCCC3)C2)o1 ZINC000034698834 569648021 /nfs/dbraw/zinc/64/80/21/569648021.db2.gz YPOFKLQJXBUPHX-FYBSXPHGSA-N 1 0 488.647 6.726 50 0 JKAARO Cc1ccccc1[C@H]1C[N@H+](Cc2ccco2)C[C@@H]1CN(C(=O)c1ccccc1)C1CCCCC1 ZINC000034698869 569648045 /nfs/dbraw/zinc/64/80/45/569648045.db2.gz ADDHYRFDVZGMRR-IRPSRAIASA-N 1 0 456.630 6.279 50 0 JKAARO CC(C)CN(C[C@H]1C[N@H+](Cc2ccc(F)c(F)c2)C[C@@H]1c1ccc(F)cc1)C(=O)c1ccccc1 ZINC000034699043 569648159 /nfs/dbraw/zinc/64/81/59/569648159.db2.gz FJAFEBNWSSCYAB-AOYPEHQESA-N 1 0 480.574 6.118 50 0 JKAARO CC(C)N(C[C@H]1C[N@H+](Cc2cccn2C)C[C@@H]1c1ccc(F)cc1)C(=O)c1ccc(F)cc1 ZINC000034699057 569648247 /nfs/dbraw/zinc/64/82/47/569648247.db2.gz DCTADPKXNNCYLW-ATIYNZHBSA-N 1 0 451.561 5.070 50 0 JKAARO Cc1cccc(C[N@H+]2C[C@@H](CN(CC(C)C)C(=O)c3ccccc3)[C@H](c3ccc(F)cc3)C2)c1 ZINC000034699039 569648267 /nfs/dbraw/zinc/64/82/67/569648267.db2.gz LHPYLIICEOFWJH-YTMVLYRLSA-N 1 0 458.621 6.148 50 0 JKAARO COc1cccc([C@H]2C[N@H+](Cc3ccc[nH]3)C[C@@H]2CN(CC(C)C)C(=O)c2ccc(F)cc2)c1 ZINC000034698927 569648281 /nfs/dbraw/zinc/64/82/81/569648281.db2.gz XOVCGJQEXIUTHS-YIXXDRMTSA-N 1 0 463.597 5.176 50 0 JKAARO COc1cccc([C@H]2C[N@H+](Cc3ccsc3)C[C@@H]2CN(CC(C)C)C(=O)c2ccc(F)cc2)c1 ZINC000034698925 569648307 /nfs/dbraw/zinc/64/83/07/569648307.db2.gz FTUPNUGTVZLNJF-SHQCIBLASA-N 1 0 480.649 5.910 50 0 JKAARO Cc1ccc(C[N@H+]2C[C@@H](CN(CC(C)C)C(=O)c3ccccc3)[C@H](c3ccc(F)cc3)C2)s1 ZINC000034699041 569648345 /nfs/dbraw/zinc/64/83/45/569648345.db2.gz OKLDTVOHZCDFAM-IGKIAQTJSA-N 1 0 464.650 6.210 50 0 JKAARO COc1ccccc1[C@H]1C[N@H+](Cc2cccs2)C[C@@H]1CN(Cc1ccccc1)C(=O)C(C)C ZINC000034699227 569648410 /nfs/dbraw/zinc/64/84/10/569648410.db2.gz NXCZNMHYMPSESG-BVAGGSTKSA-N 1 0 462.659 5.657 50 0 JKAARO CC(=O)N(Cc1ccc(F)cc1)C[C@H]1C[N@H+](Cc2ccc3c(c2)OCO3)C[C@@H]1c1ccc(C)cc1 ZINC000034699269 569648417 /nfs/dbraw/zinc/64/84/17/569648417.db2.gz NNGNDUXUPSVJRF-XNMGPUDCSA-N 1 0 474.576 5.127 50 0 JKAARO COc1cccc([C@@H]2C[N@H+](Cc3ccc(C)cc3)C[C@H]2CN(Cc2ccccc2)C(=O)C2CCCC2)c1 ZINC000034699243 569648433 /nfs/dbraw/zinc/64/84/33/569648433.db2.gz YPZOZTHPMMIFSS-CDZUIXILSA-N 1 0 496.695 6.438 50 0 JKAARO COc1ccc([C@@H]2C[N@H+](Cc3sccc3C)C[C@H]2CN(Cc2ccc(F)cc2)C(C)=O)cc1 ZINC000034699347 569648545 /nfs/dbraw/zinc/64/85/45/569648545.db2.gz LOGADMRGBBEGNZ-OZXSUGGESA-N 1 0 466.622 5.469 50 0 JKAARO COc1ccc([C@@H]2C[N@H+](Cc3cc(C)c(C)o3)C[C@@H]2CN(Cc2ccc(F)cc2)C(C)=O)cc1 ZINC000034699368 569648593 /nfs/dbraw/zinc/64/85/93/569648593.db2.gz VTRYEKFMEUKFQE-YWEHKCAJSA-N 1 0 464.581 5.308 50 0 JKAARO COc1ccc([C@@H]2C[N@H+](Cc3cccc(C)c3)C[C@@H]2CN(Cc2ccc(F)cc2)C(C)=O)cc1 ZINC000034699358 569648640 /nfs/dbraw/zinc/64/86/40/569648640.db2.gz SGQBSSUHBVSQKM-UHSQPCAPSA-N 1 0 460.593 5.407 50 0 JKAARO O=C(NCc1cccc(C(F)(F)F)c1)[C@@H]1C[C@H](c2ccccc2)C[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000034711127 569650808 /nfs/dbraw/zinc/65/08/08/569650808.db2.gz UCHLTSVVRWXOGG-FCHUYYIVSA-N 1 0 488.500 5.906 50 0 JKAARO CC(=O)N1CCc2cc(-c3ccc(C(=O)NCC4CC[NH+](Cc5ccc(C)cc5)CC4)cc3)ccc21 ZINC000065027001 569651612 /nfs/dbraw/zinc/65/16/12/569651612.db2.gz AYSHIIMJHURRKJ-UHFFFAOYSA-N 1 0 481.640 5.213 50 0 JKAARO Cc1cc([C@H]2C[C@@H](C(=O)NCc3ccccc3)C[N@H+](Cc3ccccc3Cl)C2)ccc1F ZINC000034716673 569651686 /nfs/dbraw/zinc/65/16/86/569651686.db2.gz HQXPOONHPNENIO-BJKOFHAPSA-N 1 0 450.985 5.710 50 0 JKAARO COc1ccc(NC(=O)[C@@H]2C[C@@H](c3ccc(F)c(C)c3)C[N@H+](Cc3ccccc3Cl)C2)cc1 ZINC000034716684 569651703 /nfs/dbraw/zinc/65/17/03/569651703.db2.gz ZAXWZCNDEVHJJM-FGZHOGPDSA-N 1 0 466.984 6.041 50 0 JKAARO Cc1cc([C@H]2C[C@H](C(=O)NCCc3ccccc3)C[N@H+](Cc3ccccc3Cl)C2)ccc1F ZINC000034716699 569651712 /nfs/dbraw/zinc/65/17/12/569651712.db2.gz CKLLAPHFIQUQEU-DQEYMECFSA-N 1 0 465.012 5.752 50 0 JKAARO C[C@H](NC(=O)[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+](Cc2ccccc2Cl)C1)c1ccccc1 ZINC000034716594 569651735 /nfs/dbraw/zinc/65/17/35/569651735.db2.gz OEISLAFLCLOQEP-WDJPJFJCSA-N 1 0 450.985 5.962 50 0 JKAARO COc1ccc(NC(=O)[C@@H]2C[C@H](c3ccc(F)c(C)c3)C[N@H+](Cc3ccccc3Cl)C2)cc1 ZINC000034716685 569651755 /nfs/dbraw/zinc/65/17/55/569651755.db2.gz ZAXWZCNDEVHJJM-FCHUYYIVSA-N 1 0 466.984 6.041 50 0 JKAARO Cc1cccc(CNC(=O)[C@H]2C[C@H](c3ccc(F)cc3)C[N@H+](Cc3ccc(F)cc3F)C2)c1 ZINC000034716761 569651838 /nfs/dbraw/zinc/65/18/38/569651838.db2.gz DOGFDCOVMRUCNZ-GOTSBHOMSA-N 1 0 452.520 5.334 50 0 JKAARO O=C(NCc1cccc(F)c1)[C@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+](Cc2ccc(F)cc2F)C1 ZINC000034716759 569651847 /nfs/dbraw/zinc/65/18/47/569651847.db2.gz QQDBQAHLJNTDJQ-RTWAWAEBSA-N 1 0 456.483 5.165 50 0 JKAARO Cc1cc([C@@H]2C[C@@H](C(=O)NCc3ccccc3F)C[N@H+](Cc3ccccc3Cl)C2)ccc1F ZINC000034716810 569651850 /nfs/dbraw/zinc/65/18/50/569651850.db2.gz SGSWXLJKSFSKOZ-DHIUTWEWSA-N 1 0 468.975 5.849 50 0 JKAARO Cc1cc([C@H]2C[C@H](C(=O)N(C)Cc3ccccc3)C[N@@H+](Cc3ccccc3Cl)C2)ccc1F ZINC000034716825 569651855 /nfs/dbraw/zinc/65/18/55/569651855.db2.gz UYJWXNNRHYKFDR-DQEYMECFSA-N 1 0 465.012 6.052 50 0 JKAARO Cc1ccc(C(=O)N2CC[C@H]3CCCC[C@H]3C2)c(C2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)n1 ZINC000034726128 569652760 /nfs/dbraw/zinc/65/27/60/569652760.db2.gz ULQRWVGYHWJEHD-IAPPQJPRSA-N 1 0 473.705 6.545 50 0 JKAARO COc1ccccc1CNC(=O)c1ccc(C)nc1C1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000034726024 569652841 /nfs/dbraw/zinc/65/28/41/569652841.db2.gz ZFYSPOLOTUYWCA-UHFFFAOYSA-N 1 0 497.561 5.727 50 0 JKAARO COc1ccccc1N1CC[NH+](CC[C@H](Oc2ccc(F)c(Cl)c2)c2ccccc2)CC1 ZINC000034727079 569652924 /nfs/dbraw/zinc/65/29/24/569652924.db2.gz PGFVVAIJVUZQGY-VWLOTQADSA-N 1 0 454.973 5.820 50 0 JKAARO Fc1ccc(N2CC[NH+](CC[C@H](Oc3ccc(F)cc3Cl)c3ccccc3F)CC2)cc1 ZINC000034727345 569652945 /nfs/dbraw/zinc/65/29/45/569652945.db2.gz VLRUHGMNJOCVAK-DEOSSOPVSA-N 1 0 460.927 6.090 50 0 JKAARO COc1ccccc1N1CC[NH+](CC[C@@H](Oc2ccc(Cl)c(C)c2)c2cccs2)CC1 ZINC000034726852 569653025 /nfs/dbraw/zinc/65/30/25/569653025.db2.gz HDWOUWLOCGVCPE-XMMPIXPASA-N 1 0 457.039 6.051 50 0 JKAARO Cc1cc(O[C@H](CC[NH+]2CCN(c3ccc(F)cc3)CC2)c2cccs2)cc(C(C)C)c1 ZINC000034726911 569653051 /nfs/dbraw/zinc/65/30/51/569653051.db2.gz JNGSMIORYYNSDP-AREMUKBSSA-N 1 0 452.639 6.651 50 0 JKAARO Cc1ccccc1N1CC[NH+](CC[C@@H](Oc2ccc(F)cc2Cl)c2ccc(F)cc2)CC1 ZINC000034726660 569653059 /nfs/dbraw/zinc/65/30/59/569653059.db2.gz FWLZRIMDKFWODL-RUZDIDTESA-N 1 0 456.964 6.259 50 0 JKAARO COc1ccc(OC)c([C@@H](CCN2CC[NH+](Cc3ccccc3)CC2)Oc2cccc(C(C)C)c2)c1 ZINC000034728319 569653132 /nfs/dbraw/zinc/65/31/32/569653132.db2.gz IVPARPLKJMQOMV-WJOKGBTCSA-N 1 0 488.672 6.155 50 0 JKAARO COc1ccc(OC)c([C@H](CCN2CC[NH+](Cc3ccccc3)CC2)Oc2cccc(C(C)C)c2)c1 ZINC000034728315 569653199 /nfs/dbraw/zinc/65/31/99/569653199.db2.gz IVPARPLKJMQOMV-HKBQPEDESA-N 1 0 488.672 6.155 50 0 JKAARO COc1cc(C[N@@H+]2C[C@H](C(=O)NCCc3ccccc3OC)CC[C@@H]2c2ccccc2)cc(OC)c1 ZINC000034733816 569653421 /nfs/dbraw/zinc/65/34/21/569653421.db2.gz ZGNAHFOZCBSBPQ-LEAFIULHSA-N 1 0 488.628 5.025 50 0 JKAARO COc1ccccc1CCNC(=O)[C@@H]1C[C@@H](c2cccc(C)c2)C[N@H+](Cc2ccccc2F)C1 ZINC000034733533 569653558 /nfs/dbraw/zinc/65/35/58/569653558.db2.gz USROVCQNBKJARQ-CLJLJLNGSA-N 1 0 460.593 5.107 50 0 JKAARO COc1ccccc1CCNC(=O)[C@H]1C[C@H](c2cccc(C)c2)C[N@H+](Cc2cccc(F)c2)C1 ZINC000034733676 569653564 /nfs/dbraw/zinc/65/35/64/569653564.db2.gz FLOBESPAVDAICB-UIOOFZCWSA-N 1 0 460.593 5.107 50 0 JKAARO COc1cc(C[N@@H+]2C[C@@H](C(=O)NCCc3ccccc3OC)CC[C@H]2c2ccccc2)cc(OC)c1 ZINC000034733826 569653688 /nfs/dbraw/zinc/65/36/88/569653688.db2.gz ZGNAHFOZCBSBPQ-LSYYVWMOSA-N 1 0 488.628 5.025 50 0 JKAARO CC[NH+](CC)CCCNC(=O)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCC2)o1 ZINC000065054898 569653772 /nfs/dbraw/zinc/65/37/72/569653772.db2.gz MRRYBNMMQDCLSL-UHFFFAOYSA-N 1 0 452.574 5.526 50 0 JKAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCC2)o1 ZINC000065054978 569653814 /nfs/dbraw/zinc/65/38/14/569653814.db2.gz XZFDUHCCBBLGAW-HXUWFJFHSA-N 1 0 478.612 6.059 50 0 JKAARO C[N@H+](CCNC(=O)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCC2)o1)Cc1ccccc1 ZINC000065054981 569653820 /nfs/dbraw/zinc/65/38/20/569653820.db2.gz XKVZSLVFLFQHAA-UHFFFAOYSA-N 1 0 486.591 5.926 50 0 JKAARO C[C@H]1CCC[N@H+](CCCNC(=O)c2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CCCC3)o2)C1 ZINC000065054989 569653858 /nfs/dbraw/zinc/65/38/58/569653858.db2.gz NZCDOQBYJUQWIM-FQEVSTJZSA-N 1 0 478.612 5.916 50 0 JKAARO C[C@H](CCNC(=O)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCC2)o1)[NH+]1CCCC1 ZINC000065055002 569653925 /nfs/dbraw/zinc/65/39/25/569653925.db2.gz GFFHFKVGVSYWPJ-LJQANCHMSA-N 1 0 464.585 5.669 50 0 JKAARO C[C@H]1CCC[N@H+](CCCNC(=O)c2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CCCCC3)o2)C1 ZINC000065055135 569654033 /nfs/dbraw/zinc/65/40/33/569654033.db2.gz OSFZSULTAILSEG-NRFANRHFSA-N 1 0 492.639 6.306 50 0 JKAARO COc1ccc(Oc2ncc(-c3ccc(C(=O)NC4CC[NH+](Cc5ccccc5)CC4)cc3)cn2)cc1 ZINC000065057683 569654587 /nfs/dbraw/zinc/65/45/87/569654587.db2.gz JWBPPMFFEIQJMX-UHFFFAOYSA-N 1 0 494.595 5.339 50 0 JKAARO Cc1ccccc1N1CC[NH+](CC[C@@H](Oc2ccc(C(C)C)cc2)c2ccc3c(c2)OCO3)CC1 ZINC000034740049 569655119 /nfs/dbraw/zinc/65/51/19/569655119.db2.gz ZZEZENQGWOZGFH-MUUNZHRXSA-N 1 0 472.629 6.180 50 0 JKAARO COc1ccccc1CCNC(=O)[C@@H]1C[C@@H](c2ccc(F)c(C)c2)C[N@H+](Cc2ccc(F)cc2)C1 ZINC000034740152 569655266 /nfs/dbraw/zinc/65/52/66/569655266.db2.gz BHKDRWYGXDNCDH-JWQCQUIFSA-N 1 0 478.583 5.246 50 0 JKAARO COc1cccc(C[N@@H+]2C[C@@H](C(=O)Nc3ccc(OC)cc3OC)C[C@@H](c3ccc(F)c(C)c3)C2)c1 ZINC000034740142 569655293 /nfs/dbraw/zinc/65/52/93/569655293.db2.gz NCJHHCKKVKBGOT-PKTZIBPZSA-N 1 0 492.591 5.404 50 0 JKAARO COc1cccc(C[N@@H+]2C[C@H](C(=O)Nc3ccc(OC)cc3OC)C[C@H](c3ccc(F)c(C)c3)C2)c1 ZINC000034740145 569655387 /nfs/dbraw/zinc/65/53/87/569655387.db2.gz NCJHHCKKVKBGOT-XZOQPEGZSA-N 1 0 492.591 5.404 50 0 JKAARO CC(C)CN(C[C@@H]1C[N@H+](Cc2ccccc2C(F)(F)F)C[C@@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000034740476 569655399 /nfs/dbraw/zinc/65/53/99/569655399.db2.gz IRGAHQCHJJNPON-LADGPHEKSA-N 1 0 478.574 6.201 50 0 JKAARO Cc1ccc([C@H]2C[N@@H+](Cc3cc(C)ccc3F)C[C@@H]2CN(C(=O)C(C)C)C2CCCCC2)cc1 ZINC000034740756 569655551 /nfs/dbraw/zinc/65/55/51/569655551.db2.gz SVELAAHXTNADKY-IXCJQBJRSA-N 1 0 464.669 6.475 50 0 JKAARO CC(C)[NH+]1CCN(C2=Nc3ccccc3Oc3ccc(NC(=O)OCc4ccccc4)cc32)CC1 ZINC000034790597 569660233 /nfs/dbraw/zinc/66/02/33/569660233.db2.gz PXNDEFOZYZDCCQ-UHFFFAOYSA-N 1 0 470.573 5.645 50 0 JKAARO CC(C)[NH+]1CCN(C2=Nc3ccccc3Oc3ccc(NC(=O)Cc4ccccc4)cc32)CC1 ZINC000034790555 569660257 /nfs/dbraw/zinc/66/02/57/569660257.db2.gz IUEHVCRTCBJBJI-UHFFFAOYSA-N 1 0 454.574 5.078 50 0 JKAARO CCOC(=O)c1c(NC(=O)[C@@H]([NH2+]CCc2ccccc2)c2ccccc2)sc2c1CC[C@H](C)C2 ZINC000034800871 569661150 /nfs/dbraw/zinc/66/11/50/569661150.db2.gz FHJCBZLGQCRZQP-DFBJGRDBSA-N 1 0 476.642 5.562 50 0 JKAARO CC[NH+]1CCN(c2c(CN(CC(C)C)C(=O)CCC3CCCC3)c(C)nn2-c2ccccc2)CC1 ZINC000034814892 569662850 /nfs/dbraw/zinc/66/28/50/569662850.db2.gz FOMGKPRCMPVYNP-UHFFFAOYSA-N 1 0 479.713 5.278 50 0 JKAARO CC[NH+]1CCN(c2c(CN(CC(C)C)C(=O)[C@@H]3C[C@H]3c3ccccc3)c(C)nn2-c2ccccc2)CC1 ZINC000034829545 569662986 /nfs/dbraw/zinc/66/29/86/569662986.db2.gz OASQBGSUJISFRX-WUFINQPMSA-N 1 0 499.703 5.111 50 0 JKAARO C[N@H+]1CC2=C(N=C3SC=C(c4ccccc4)N3[C@H]2c2ccc(F)cc2)/C(=C/c2ccc(F)cc2)C1 ZINC000034829288 569663013 /nfs/dbraw/zinc/66/30/13/569663013.db2.gz AYZKSPCVUKVWQK-RQLJPHHTSA-N 1 0 483.587 6.706 50 0 JKAARO CCCCCCC(=O)N1CCN(C(=O)CC[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2)C[C@H]1C ZINC000034830127 569663591 /nfs/dbraw/zinc/66/35/91/569663591.db2.gz AEDVPEYTTPAATJ-DFHRPNOPSA-N 1 0 481.706 5.115 50 0 JKAARO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1[C@@H](C)C(=O)N1CCCN(C(=O)C2CCCCC2)CC1 ZINC000034830391 569663857 /nfs/dbraw/zinc/66/38/57/569663857.db2.gz AYQFJXQPCMBHOI-CUNXSJBXSA-N 1 0 493.717 5.034 50 0 JKAARO CCCCCCC(=O)N1CCCN(C(=O)[C@@H](C)[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2C)CC1 ZINC000034830432 569663948 /nfs/dbraw/zinc/66/39/48/569663948.db2.gz GJSCURGNMIPHTM-LXFBAYGMSA-N 1 0 495.733 5.424 50 0 JKAARO CC[NH+]1CCN(c2c(CN(C(=O)CCC3CCCC3)C(C)C)c(C)nn2-c2cccc(F)c2)CC1 ZINC000034831297 569664138 /nfs/dbraw/zinc/66/41/38/569664138.db2.gz NIKSVYUZLNXATG-UHFFFAOYSA-N 1 0 483.676 5.169 50 0 JKAARO CCc1ccc(C(=O)N(Cc2c(C)nn(-c3cccc(F)c3)c2N2CC[NH+](CC)CC2)C(C)C)cc1 ZINC000034831312 569664197 /nfs/dbraw/zinc/66/41/97/569664197.db2.gz XRIKVJCUWXKCBD-UHFFFAOYSA-N 1 0 491.655 5.075 50 0 JKAARO CC[NH+]1CCN(c2c(CN(CC(C)C)C(=O)C3CCCCC3)c(C)nn2-c2cccc(F)c2)CC1 ZINC000034831327 569664207 /nfs/dbraw/zinc/66/42/07/569664207.db2.gz YLXINJOUHVPWNQ-UHFFFAOYSA-N 1 0 483.676 5.027 50 0 JKAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cc(-c2ccccc2)n2nc(-c3ccccc3)cc2n1 ZINC000034831701 569664296 /nfs/dbraw/zinc/66/42/96/569664296.db2.gz AGODJPFZGIROAF-UHFFFAOYSA-N 1 0 487.607 5.458 50 0 JKAARO CC[NH+]1CCN(c2c(CN(CCC(C)C)C(=O)c3ccccc3C)c(C)nn2-c2ccccc2)CC1 ZINC000034832123 569664429 /nfs/dbraw/zinc/66/44/29/569664429.db2.gz JISWYKODWIGKOS-UHFFFAOYSA-N 1 0 487.692 5.320 50 0 JKAARO CCCC[C@@H](CC)C(=O)N(CCC(C)C)Cc1c(C)nn(-c2ccccc2)c1N1CC[NH+](C)CC1 ZINC000034834641 569664797 /nfs/dbraw/zinc/66/47/97/569664797.db2.gz BWHHBXGBSZQDBV-RUZDIDTESA-N 1 0 481.729 5.524 50 0 JKAARO CCCC[C@H](CC)C(=O)N(Cc1c(C)nn(-c2ccccc2)c1N1CC[NH+](C)CC1)CC(C)C ZINC000034834374 569664801 /nfs/dbraw/zinc/66/48/01/569664801.db2.gz UHLKXNNAZKHTNA-DEOSSOPVSA-N 1 0 467.702 5.134 50 0 JKAARO CC[C@@H](C)N(Cc1c(C)nn(-c2ccccc2)c1N1CC[NH+](CC)CC1)C(=O)c1ccc(Cl)cc1 ZINC000034834936 569664884 /nfs/dbraw/zinc/66/48/84/569664884.db2.gz AXLIHALDQFNSCJ-OAQYLSRUSA-N 1 0 494.083 5.417 50 0 JKAARO CC[C@H](C)N(Cc1c(C)nn(-c2ccccc2)c1N1CC[NH+](CC)CC1)C(=O)c1ccc(Cl)cc1 ZINC000034834938 569664921 /nfs/dbraw/zinc/66/49/21/569664921.db2.gz AXLIHALDQFNSCJ-NRFANRHFSA-N 1 0 494.083 5.417 50 0 JKAARO CC[C@@H](C)N(Cc1c(C)nn(-c2ccccc2)c1N1CC[NH+](CC)CC1)C(=O)c1cccc(Cl)c1 ZINC000034835099 569664948 /nfs/dbraw/zinc/66/49/48/569664948.db2.gz LTVSSFMRSMEUSH-OAQYLSRUSA-N 1 0 494.083 5.417 50 0 JKAARO Cc1nn(-c2cccc(F)c2)c(N2CC[NH+](C(C)C)CC2)c1CN(C(=O)NC1CCCCC1)C(C)C ZINC000034835877 569665042 /nfs/dbraw/zinc/66/50/42/569665042.db2.gz BFGYZCLFZSPFDS-UHFFFAOYSA-N 1 0 498.691 5.103 50 0 JKAARO CCCCCCC(=O)N(CCC)Cc1c(CC)nn(-c2ccc(F)cc2)c1N1CC[NH+](C(C)C)CC1 ZINC000034835458 569665085 /nfs/dbraw/zinc/66/50/85/569665085.db2.gz OGGUUOUYBJMANN-UHFFFAOYSA-N 1 0 499.719 5.813 50 0 JKAARO CCCN(Cc1c(CC)nn(-c2ccc(F)cc2)c1N1CC[NH+](C(C)C)CC1)C(=O)C1CCCC1 ZINC000034835435 569665134 /nfs/dbraw/zinc/66/51/34/569665134.db2.gz GTGGWQXBWAHJIU-UHFFFAOYSA-N 1 0 483.676 5.033 50 0 JKAARO CCc1nn(-c2ccc(F)cc2)c(N2CCN(C)CC2)c1C[N@@H+](Cc1cccs1)[C@@H](C)CC ZINC000034836344 569665368 /nfs/dbraw/zinc/66/53/68/569665368.db2.gz VJFHNUKOYVDIQW-FQEVSTJZSA-N 1 0 469.674 5.188 50 0 JKAARO Cc1ccc(-c2csc(-c3cccn3CC(=O)NCCC[N@@H+]3CCc4ccccc4C3)n2)cc1 ZINC000065114059 569665464 /nfs/dbraw/zinc/66/54/64/569665464.db2.gz CZGAQXLZFGBWHO-UHFFFAOYSA-N 1 0 470.642 5.152 50 0 JKAARO CC[C@H](C)N(Cc1c(C)nn(-c2ccc(F)cc2)c1N1CC[NH+](CC)CC1)Cc1ccccc1Cl ZINC000034836397 569665517 /nfs/dbraw/zinc/66/55/17/569665517.db2.gz MMSSSWMZNKDCEZ-NRFANRHFSA-N 1 0 498.090 5.916 50 0 JKAARO CCCc1nn(-c2cccc(F)c2)c(N2CC[NH+](CC)CC2)c1CN(CCC)Cc1ccoc1 ZINC000034836590 569665614 /nfs/dbraw/zinc/66/56/14/569665614.db2.gz DEXKQHULAVNDOL-UHFFFAOYSA-N 1 0 467.633 5.111 50 0 JKAARO CCc1nn(-c2cccc(C)c2)c(N2CCN(C)CC2)c1C[N@H+](CCCc1ccccc1)C(C)C ZINC000034836629 569666008 /nfs/dbraw/zinc/66/60/08/569666008.db2.gz KVVIKUDKXDEVKM-UHFFFAOYSA-N 1 0 473.709 5.338 50 0 JKAARO CCc1nn(-c2cccc(C)c2)c(N2CC[NH+](C)CC2)c1CN(Cc1ccccc1Cl)C1CC1 ZINC000034836670 569666039 /nfs/dbraw/zinc/66/60/39/569666039.db2.gz QDKPGPUFTQIHNO-UHFFFAOYSA-N 1 0 478.084 5.313 50 0 JKAARO CCc1nn(-c2ccccc2)c(N2CC[NH+](CC)CC2)c1CN(Cc1ccc(Cl)cc1)C1CC1 ZINC000034836939 569666346 /nfs/dbraw/zinc/66/63/46/569666346.db2.gz SCORFCBCDPLABD-UHFFFAOYSA-N 1 0 478.084 5.395 50 0 JKAARO CCOc1cccc(CN(Cc2c(CC)nn(-c3ccccc3)c2N2CC[NH+](CC)CC2)C2CC2)c1 ZINC000034836979 569666359 /nfs/dbraw/zinc/66/63/59/569666359.db2.gz PUPSDCKQBHDNGR-UHFFFAOYSA-N 1 0 487.692 5.140 50 0 JKAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCN(c2nc3ccccc3n2C2CCCC2)C1 ZINC000034906689 569670926 /nfs/dbraw/zinc/67/09/26/569670926.db2.gz SLAXYAVEHNISGT-DEOSSOPVSA-N 1 0 485.676 5.149 50 0 JKAARO CC(C)CCn1c2ccccc2nc1N1CCC(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000034906766 569670952 /nfs/dbraw/zinc/67/09/52/569670952.db2.gz JOFSODIIKGUBCO-UHFFFAOYSA-N 1 0 487.692 5.080 50 0 JKAARO Cc1cccc([C@H]2[C@@H](C(=O)NC3CC[NH+](Cc4ccccc4)CC3)c3ccccc3C(=O)N2C2CC2)c1 ZINC000034924130 569672975 /nfs/dbraw/zinc/67/29/75/569672975.db2.gz MJCZFTKZTZYVPZ-KYJUHHDHSA-N 1 0 493.651 5.219 50 0 JKAARO Cc1cccc([C@H]2[C@H](C(=O)NC3CC[NH+](Cc4ccccc4)CC3)c3ccccc3C(=O)N2C2CC2)c1 ZINC000034924128 569673048 /nfs/dbraw/zinc/67/30/48/569673048.db2.gz MJCZFTKZTZYVPZ-IHLOFXLRSA-N 1 0 493.651 5.219 50 0 JKAARO COc1ccc2cc3cc(C(=O)Nc4ccc(C[NH+]5CCCCC5)cc4)sc3nc2c1Cl ZINC000065330832 569674953 /nfs/dbraw/zinc/67/49/53/569674953.db2.gz BJGQOFPSRLEVIZ-UHFFFAOYSA-N 1 0 466.006 6.350 50 0 JKAARO COc1ccc2cc3cc(C(=O)NC[C@@H]4CC[N@H+](Cc5ccc(C)cc5)C4)sc3nc2c1Cl ZINC000065330828 569674957 /nfs/dbraw/zinc/67/49/57/569674957.db2.gz UECXQGWFDRYFEJ-SFHVURJKSA-N 1 0 480.033 5.672 50 0 JKAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000035227159 569678607 /nfs/dbraw/zinc/67/86/07/569678607.db2.gz BKJKUXDFLNNHRO-SQHAQQRYSA-N 1 0 483.015 5.949 50 0 JKAARO c1ccc(-c2nnc(-c3nc4ccccc4c(NCCCN4CCC([NH+]5CCCCC5)CC4)n3)o2)cc1 ZINC000035372090 569683002 /nfs/dbraw/zinc/68/30/02/569683002.db2.gz ZFNFJXYJTLTYSI-UHFFFAOYSA-N 1 0 497.647 5.099 50 0 JKAARO CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccccc1C)C(c1ccc(Cl)cc1)=N2 ZINC000035372504 569683147 /nfs/dbraw/zinc/68/31/47/569683147.db2.gz CZQMOWFYQSFRTA-UHFFFAOYSA-N 1 0 455.027 5.034 50 0 JKAARO COc1cccc(-c2cc3c(N4CC[NH+](C(c5ccccc5)c5ccccc5)CC4)nccn3n2)c1 ZINC000067284856 569683264 /nfs/dbraw/zinc/68/32/64/569683264.db2.gz GCLGWESOGUYNDG-UHFFFAOYSA-N 1 0 475.596 5.317 50 0 JKAARO CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccc(OC)c(Cl)c1)C(c1ccc(C)cc1)=N2 ZINC000035372935 569683406 /nfs/dbraw/zinc/68/34/06/569683406.db2.gz LIVWLWYGSPHSSI-UHFFFAOYSA-N 1 0 485.053 5.042 50 0 JKAARO O=C(Cn1c(-c2cccs2)cc2cc(Cl)ccc21)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000035373606 569683806 /nfs/dbraw/zinc/68/38/06/569683806.db2.gz VKNAWWANJJYIOO-UHFFFAOYSA-N 1 0 464.034 5.804 50 0 JKAARO CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccccc1)C(c1ccc(C(C)(C)C)cc1)=N2 ZINC000035397161 569687678 /nfs/dbraw/zinc/68/76/78/569687678.db2.gz RHZSJBQTJNANQR-UHFFFAOYSA-N 1 0 462.663 5.369 50 0 JKAARO Cc1ccccc1NC(=O)CSC1=NC2(CC[NH+](C)CC2)N=C1c1ccc(C(C)(C)C)cc1 ZINC000035397143 569687709 /nfs/dbraw/zinc/68/77/09/569687709.db2.gz SAXMZEARGGULPI-UHFFFAOYSA-N 1 0 462.663 5.288 50 0 JKAARO Cc1c(Cl)cccc1NC(=O)CSC1=NC2(CC[NH+](C)CC2)N=C1c1ccc(C(C)(C)C)cc1 ZINC000035397155 569687755 /nfs/dbraw/zinc/68/77/55/569687755.db2.gz PCWRHPOXKWQUSK-UHFFFAOYSA-N 1 0 497.108 5.941 50 0 JKAARO Cc1cccc(NC(=O)CSC2=NC3(CC[NH+](C)CC3)N=C2c2ccc(Br)cc2)c1C ZINC000035397184 569687815 /nfs/dbraw/zinc/68/78/15/569687815.db2.gz IZFPEFCZVTYKFR-UHFFFAOYSA-N 1 0 499.478 5.061 50 0 JKAARO Cc1ccsc1C[NH+]1CCN(c2cccc3c2C(=O)N(Cc2ccc(C(F)(F)F)cc2)C3=O)CC1 ZINC000067675777 569689247 /nfs/dbraw/zinc/68/92/47/569689247.db2.gz NXDUZECNZJQREE-UHFFFAOYSA-N 1 0 499.558 5.194 50 0 JKAARO C[NH+]1CCN(c2ccc(NC(=O)c3cn(Cc4ccccc4)nc3-c3ccc(Cl)cc3)cc2)CC1 ZINC000069720709 569693660 /nfs/dbraw/zinc/69/36/60/569693660.db2.gz NCIGDUUAUFPODM-UHFFFAOYSA-N 1 0 486.019 5.256 50 0 JKAARO CC[N@@H+]1CCc2c(sc3c2CN(C(=O)Nc2ccc(C)cc2)[C@@H](c2ccccc2)c2cccn2-3)C1 ZINC000035427429 569694462 /nfs/dbraw/zinc/69/44/62/569694462.db2.gz GJTKIVGHOUVHFF-MHZLTWQESA-N 1 0 482.653 6.362 50 0 JKAARO CC1CCN(C(=O)C2CC[NH+](Cc3cc4ccccc4n3Cc3cccc(Cl)c3)CC2)CC1 ZINC000035451433 569696834 /nfs/dbraw/zinc/69/68/34/569696834.db2.gz GDZSFLOURLNYJC-UHFFFAOYSA-N 1 0 464.053 5.814 50 0 JKAARO Cc1noc(C)c1CCNC(=O)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccccc2C)CC1 ZINC000035451464 569696869 /nfs/dbraw/zinc/69/68/69/569696869.db2.gz DDYDHWBORMVOCT-UHFFFAOYSA-N 1 0 484.644 5.174 50 0 JKAARO Cc1nc(-c2ccc(C)cc2)sc1C(=O)N1CCC(CC(=O)NCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000035454686 569697523 /nfs/dbraw/zinc/69/75/23/569697523.db2.gz KQAWKNACYTWSIN-OAQYLSRUSA-N 1 0 496.721 5.050 50 0 JKAARO Cc1nc(-c2ccc(C)cc2)sc1C(=O)N1CCC(CC(=O)NCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000035454683 569697565 /nfs/dbraw/zinc/69/75/65/569697565.db2.gz KQAWKNACYTWSIN-NRFANRHFSA-N 1 0 496.721 5.050 50 0 JKAARO O=C(Nc1ccc(F)cc1F)C1CC[NH+](Cc2cc3ccccc3n2Cc2cccc(F)c2)CC1 ZINC000035511071 569698355 /nfs/dbraw/zinc/69/83/55/569698355.db2.gz IGWPZYUHVSENQK-UHFFFAOYSA-N 1 0 477.530 5.958 50 0 JKAARO Cc1ccc(-c2nc(CC(=O)Nc3ccc(N4CC[NH+](Cc5ccccc5)CC4)cc3)cs2)cc1 ZINC000072274747 569701578 /nfs/dbraw/zinc/70/15/78/569701578.db2.gz QOBHOFDOAICBDZ-UHFFFAOYSA-N 1 0 482.653 5.622 50 0 JKAARO O=C(CCc1nc(-c2ccsc2)no1)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000072276926 569701637 /nfs/dbraw/zinc/70/16/37/569701637.db2.gz QMWTUYSKABVNNK-UHFFFAOYSA-N 1 0 479.433 5.162 50 0 JKAARO CCc1cc2c(cc1CC)CC([NH2+]C[C@H](O)c1ccc(OCc3ccccc3)c3[nH]c(=O)ccc13)C2 ZINC000077032074 569704732 /nfs/dbraw/zinc/70/47/32/569704732.db2.gz OTINTMLHLKCOBW-NDEPHWFRSA-N 1 0 482.624 5.022 50 0 JKAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000035569237 569704912 /nfs/dbraw/zinc/70/49/12/569704912.db2.gz DUGZYNAJVLVDKS-QPPBQGQZSA-N 1 0 454.599 5.357 50 0 JKAARO CCOc1ccc(CN(C(=O)c2ccc(Cl)c(Cl)c2)[C@H](C)CCC[NH+](CC)CC)cc1 ZINC000035686705 569706880 /nfs/dbraw/zinc/70/68/80/569706880.db2.gz PBFUMBRTUWBPQN-LJQANCHMSA-N 1 0 465.465 6.545 50 0 JKAARO Cc1cccc(CN(C(=O)Nc2cccc(Br)c2)C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000035686850 569706916 /nfs/dbraw/zinc/70/69/16/569706916.db2.gz RIIXPQXCZUAYDD-UHFFFAOYSA-N 1 0 493.449 5.851 50 0 JKAARO Cc1cccc(CN(C(=O)Nc2ccc(C(C)C)cc2)C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000035686857 569706931 /nfs/dbraw/zinc/70/69/31/569706931.db2.gz JKWWXACJFQENRP-UHFFFAOYSA-N 1 0 456.634 6.212 50 0 JKAARO CSc1ccc(NC(=O)N(Cc2cccc(C)n2)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000035686860 569706937 /nfs/dbraw/zinc/70/69/37/569706937.db2.gz SNIFGHHRLRNWPI-UHFFFAOYSA-N 1 0 460.647 5.811 50 0 JKAARO Cc1c2occ(C(C)(C)C)c2cc2c(C)c(CC(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)c(=O)oc12 ZINC000079189465 569707054 /nfs/dbraw/zinc/70/70/54/569707054.db2.gz JIAANJPLIOZPLQ-YADARESESA-N 1 0 478.633 5.377 50 0 biogenic JKAARO CC(C)[C@@H]([NH2+]CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)c1ccc(C2CCCCC2)cc1 ZINC000084456270 569709054 /nfs/dbraw/zinc/70/90/54/569709054.db2.gz YARKIBQPHNEDBU-RUZDIDTESA-N 1 0 477.070 5.717 50 0 JKAARO CC(C)[C@H]([NH2+]CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)c1ccc(C2CCCCC2)cc1 ZINC000084456268 569709129 /nfs/dbraw/zinc/70/91/29/569709129.db2.gz YARKIBQPHNEDBU-VWLOTQADSA-N 1 0 477.070 5.717 50 0 JKAARO OC(c1ccc(C(F)(F)F)cc1)(c1ccc(C(F)(F)F)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000085389423 569709914 /nfs/dbraw/zinc/70/99/14/569709914.db2.gz MNZZWSQSEKHHCV-UHFFFAOYSA-N 1 0 493.491 6.872 50 0 JKAARO Cc1cccn2c(=O)c(CC[N@@H+]3CCCc4c(c5cc(F)ccc5n4-c4ccc(F)cc4)C3)c(C)nc12 ZINC000085393573 569710031 /nfs/dbraw/zinc/71/00/31/569710031.db2.gz RRVOFYHSMRVZMG-UHFFFAOYSA-N 1 0 498.577 5.524 50 0 JKAARO O=C(C[C@@H](c1cn(Cc2ccc(F)cc2)c2ccccc12)c1ccc(F)cc1)NCC[NH+]1CCCC1 ZINC000035768388 569710173 /nfs/dbraw/zinc/71/01/73/569710173.db2.gz ZSFORCHAUBFVGY-HHHXNRCGSA-N 1 0 487.594 5.702 50 0 JKAARO COc1ccc(Nc2nc(C(=O)NCCC[NH+]3CCC(Cc4ccccc4)CC3)cc3occc32)cc1 ZINC000085651156 569712968 /nfs/dbraw/zinc/71/29/68/569712968.db2.gz GXDUCFMVIIWXLV-UHFFFAOYSA-N 1 0 498.627 5.655 50 0 JKAARO CCCC(=O)OC[C@H](O)C[N@H+](Cc1cccn1Cc1ccc(C(C)(C)C)cc1)Cc1ccccc1 ZINC000035840653 569713743 /nfs/dbraw/zinc/71/37/43/569713743.db2.gz PWZPCVANTXBUTN-MUUNZHRXSA-N 1 0 476.661 5.540 50 0 JKAARO COc1ccc(OC[C@H](O)C[N@@H+](Cc2cccn2Cc2ccccc2)CC2CCCCC2)cc1 ZINC000035840452 569713771 /nfs/dbraw/zinc/71/37/71/569713771.db2.gz WEHJCTGSVGTPCK-HHHXNRCGSA-N 1 0 462.634 5.367 50 0 JKAARO COc1ccc(OC[C@@H](O)C[N@H+](Cc2cccn2Cc2ccccc2C)C2CCCCC2)cc1 ZINC000035840756 569713782 /nfs/dbraw/zinc/71/37/82/569713782.db2.gz PEMUJRCBOGFPBW-MHZLTWQESA-N 1 0 462.634 5.428 50 0 JKAARO O[C@H](COCc1ccccc1)C[N@H+](Cc1cccn1Cc1cccc(F)c1)C1CCCCC1 ZINC000035840800 569713950 /nfs/dbraw/zinc/71/39/50/569713950.db2.gz MSOVFXNSZPMRHS-NDEPHWFRSA-N 1 0 450.598 5.388 50 0 JKAARO CC(C)CC[N@H+](Cc1cccn1Cc1ccc(C(F)(F)F)cc1)Cc1cc(F)cc(F)c1 ZINC000035844725 569715249 /nfs/dbraw/zinc/71/52/49/569715249.db2.gz QHWCZUBVSKOUJV-UHFFFAOYSA-N 1 0 450.495 6.882 50 0 JKAARO CCCC[N@H+](CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1cccc(Cl)c1 ZINC000035844748 569715277 /nfs/dbraw/zinc/71/52/77/569715277.db2.gz IMSXPLCRLGUNCF-UHFFFAOYSA-N 1 0 453.026 6.115 50 0 JKAARO CC[C@@H](C)[N@H+](CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1ccc(Br)cc1 ZINC000035844807 569715355 /nfs/dbraw/zinc/71/53/55/569715355.db2.gz ITUHGPNZKMGMCG-OAQYLSRUSA-N 1 0 497.477 6.223 50 0 JKAARO CC[C@H](C)[N@H+](CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1cccc(Cl)c1 ZINC000035844784 569715405 /nfs/dbraw/zinc/71/54/05/569715405.db2.gz GTBSBYQPZYIBHC-NRFANRHFSA-N 1 0 453.026 6.113 50 0 JKAARO O=C(Nc1ccccc1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](CCc3ccccc3)C[C@@H]12 ZINC000035871451 569718689 /nfs/dbraw/zinc/71/86/89/569718689.db2.gz WVMBOVLKZUQLQJ-AHWVRZQESA-N 1 0 479.546 5.250 50 0 JKAARO COc1ccc(NC(=O)[C@@H]2Cc3cc(C(F)(F)F)ccc3N3CC[N@@H+](C4CCCCC4)C[C@H]23)cc1 ZINC000035871550 569718785 /nfs/dbraw/zinc/71/87/85/569718785.db2.gz ZBSIKRFCXQUJCR-ILBGXUMGSA-N 1 0 487.566 5.348 50 0 JKAARO O=C(NCc1ccccc1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@H]12 ZINC000035871432 569718849 /nfs/dbraw/zinc/71/88/49/569718849.db2.gz XRYZNNMREQSSSX-AOYPEHQESA-N 1 0 497.536 5.024 50 0 JKAARO CCn1cc([C@H](CC(=O)N(CC[NH+](C)C)Cc2ccccc2)c2cccc(C)c2)c2ccccc21 ZINC000035872465 569719308 /nfs/dbraw/zinc/71/93/08/569719308.db2.gz UUJXUYFPJGJCJT-MUUNZHRXSA-N 1 0 467.657 6.082 50 0 JKAARO CCn1cc([C@H](CC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c2cccc(F)c2)c2ccccc21 ZINC000035872412 569719329 /nfs/dbraw/zinc/71/93/29/569719329.db2.gz RGQWANKDORVIDI-MUUNZHRXSA-N 1 0 483.631 6.103 50 0 JKAARO CN(C)c1ccccc1-c1ccccc1[PH+](C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2 ZINC000095100134 569721770 /nfs/dbraw/zinc/72/17/70/569721770.db2.gz OJSUMCAPWVGUFO-UHFFFAOYSA-N 1 0 497.707 8.464 50 0 JKAARO Cn1cc([C@H](CC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c2ccc(Cl)cc2)c2ccccc21 ZINC000035891365 569722035 /nfs/dbraw/zinc/72/20/35/569722035.db2.gz JMHFOHNPFVLQAQ-HHHXNRCGSA-N 1 0 486.059 6.135 50 0 JKAARO CC[C@@H](C)c1nc2sc3c(c2c(N2CCN(CC[NH+]4CCCCC4)CC2)n1)CCCCC3 ZINC000035892989 569722654 /nfs/dbraw/zinc/72/26/54/569722654.db2.gz WIHWVBDPRFPEOB-HXUWFJFHSA-N 1 0 455.716 5.082 50 0 JKAARO O[C@@H](Cn1c2ccccc2c2ccccc21)C[NH+]1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000095398218 569723102 /nfs/dbraw/zinc/72/31/02/569723102.db2.gz QSOCLADLLOBEPI-HSZRJFAPSA-N 1 0 473.620 5.543 50 0 JKAARO O=C(C[C@H](Cn1cccc1)c1ccc(Cl)cc1)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000095473322 569723764 /nfs/dbraw/zinc/72/37/64/569723764.db2.gz KYVUZSJSHFBFAJ-JOCHJYFZSA-N 1 0 453.989 5.235 50 0 JKAARO CCc1cccc2c([C@H](CC(=O)N(CC[NH+](C)C)Cc3ccccc3)c3ccccc3OC)c[nH]c21 ZINC000035908358 569724005 /nfs/dbraw/zinc/72/40/05/569724005.db2.gz PIDPFFZWNFWPQM-HHHXNRCGSA-N 1 0 483.656 5.851 50 0 JKAARO CCc1cccc2c([C@@H](CC(=O)N[C@@H](C)CCC[NH+](CC)CC)c3ccccc3OC)c[nH]c21 ZINC000035908359 569724119 /nfs/dbraw/zinc/72/41/19/569724119.db2.gz JWCJNCSVUDJIQL-OFVILXPXSA-N 1 0 463.666 5.888 50 0 JKAARO Cc1nn(-c2ccccc2)c2nc(Cc3ccc(C)cc3)nc(N3CC[NH+](CCC(C)C)CC3)c12 ZINC000035924704 569728201 /nfs/dbraw/zinc/72/82/01/569728201.db2.gz FXUIGYQIGMBAAX-UHFFFAOYSA-N 1 0 468.649 5.191 50 0 JKAARO Cc1ccc(S(=O)(=O)N[C@H](c2ccccc2)[C@H]([NH2+]CCCc2ccccc2)c2ccccc2)cc1 ZINC000095627007 569728381 /nfs/dbraw/zinc/72/83/81/569728381.db2.gz NLBYDBVUJVOSPI-LOYHVIPDSA-N 1 0 484.665 5.978 50 0 JKAARO Cc1ccc(/C(=C(/c2ccccc2C)[N+](=O)[O-])c2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000095918055 569729459 /nfs/dbraw/zinc/72/94/59/569729459.db2.gz GAJJHXMSALTPRK-ZQHSETAFSA-N 1 0 456.586 6.361 50 0 JKAARO CC[NH+](CC)CCOc1ccc(/C(=C(\c2ccccc2)C(C)(C)C)c2ccc(OC)cc2)cc1 ZINC000095918067 569729464 /nfs/dbraw/zinc/72/94/64/569729464.db2.gz JLHGSOGLPAERSN-QVIHXGFCSA-N 1 0 457.658 7.421 50 0 JKAARO CCC[N@@H+]1CCc2c(c(CN(C(=O)c3cccc(OC)c3)C(C)C)nn2-c2ccc(C)cc2)C1 ZINC000035926213 569729624 /nfs/dbraw/zinc/72/96/24/569729624.db2.gz GQBMKBREKIPLGK-UHFFFAOYSA-N 1 0 460.622 5.008 50 0 JKAARO COc1ccc(/C(=C(/c2ccccc2)[N+](=O)[O-])c2ccc(OCCCCCC[NH+](C)C)cc2)cc1 ZINC000095918089 569729670 /nfs/dbraw/zinc/72/96/70/569729670.db2.gz RTSQZEKTCMPYEV-ZQHSETAFSA-N 1 0 474.601 6.389 50 0 JKAARO CCC[N@@H+]1CCc2c(c(CN(C(=O)[C@H](CC)c3ccccc3)C(C)C)nn2-c2ccc(C)cc2)C1 ZINC000035926211 569729675 /nfs/dbraw/zinc/72/96/75/569729675.db2.gz SKDMGSISAGKWGJ-AREMUKBSSA-N 1 0 472.677 5.880 50 0 JKAARO CCCc1cc(N2CC[NH+](CCOc3cccc4ccccc43)CC2)n2ncc(-c3ccccc3)c2n1 ZINC000095949425 569731324 /nfs/dbraw/zinc/73/13/24/569731324.db2.gz CTAMCWIQZYZMND-UHFFFAOYSA-N 1 0 491.639 5.703 50 0 JKAARO C[N@@H+]1CC[C@H](OC(=O)C(c2ccccc2)c2ccccc2)C(c2ccccc2)(c2ccccc2)C1 ZINC000096028149 569732112 /nfs/dbraw/zinc/73/21/12/569732112.db2.gz OTWUBKBEXROCOU-LJAQVGFWSA-N 1 0 461.605 6.052 50 0 JKAARO CCCSc1ccccc1N1CC[NH+](CCCCn2c(=O)c3ccccc3nc2SC)CC1 ZINC000096027691 569732141 /nfs/dbraw/zinc/73/21/41/569732141.db2.gz WERMGCMTKVIKGU-UHFFFAOYSA-N 1 0 482.719 5.223 50 0 JKAARO CC12C(=O)C([C@H](c3ccccc3)N[C@@H]1c1ccccc1)[C@H](c1ccccc1)[NH2+][C@@H]2c1ccccc1 ZINC000096182616 569737020 /nfs/dbraw/zinc/73/70/20/569737020.db2.gz CRZYYNZUSNTEQP-HIHFKTQKSA-N 1 0 458.605 6.350 50 0 JKAARO Cc1nc(COc2ccccc2/C=C\C(=O)Nc2cccc(C[NH+]3CCSCC3)c2C)cs1 ZINC000096402494 569740434 /nfs/dbraw/zinc/74/04/34/569740434.db2.gz JKMSGXQWBZCZTD-KHPPLWFESA-N 1 0 479.671 5.540 50 0 JKAARO CCn1c(CN2CC[NH+](Cc3ccccc3)CC2)nc2cc(NC(=O)c3ccc(Cl)cc3)ccc21 ZINC000096523421 569740728 /nfs/dbraw/zinc/74/07/28/569740728.db2.gz MDMRHLDFKRLGDJ-UHFFFAOYSA-N 1 0 488.035 5.280 50 0 JKAARO 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C[C@@H]1CCCCN1c1onc(-c2ccccc2)c1CN(CC[NH+](C)C)C(=S)Nc1ccc(F)cc1 ZINC000036312917 569760418 /nfs/dbraw/zinc/76/04/18/569760418.db2.gz HKJSVDYSPZBVMO-HXUWFJFHSA-N 1 0 495.668 5.620 50 0 JKAARO CC[C@@H](C)[N@@H+](Cc1c(-c2ccccc2)noc1N1CCCCC1)C[C@H](O)COCc1ccccc1 ZINC000036313004 569760619 /nfs/dbraw/zinc/76/06/19/569760619.db2.gz WYYCHIWVOIVBSD-BVAGGSTKSA-N 1 0 477.649 5.510 50 0 JKAARO CCCC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1)C(C)C ZINC000036313769 569760932 /nfs/dbraw/zinc/76/09/32/569760932.db2.gz FZVNYDSIVQWRGH-QFIPXVFZSA-N 1 0 451.611 5.650 50 0 JKAARO CCCC[C@@H](O)C[N@H+](CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC ZINC000036313744 569761017 /nfs/dbraw/zinc/76/10/17/569761017.db2.gz RWMZXCOTEAMONZ-HSZRJFAPSA-N 1 0 451.611 5.745 50 0 JKAARO CCCCOC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C(C)C ZINC000036313819 569761098 /nfs/dbraw/zinc/76/10/98/569761098.db2.gz CLPJXIYNMFNPGH-HSZRJFAPSA-N 1 0 469.601 5.407 50 0 JKAARO 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CCOC[C@@H](O)C[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)[C@@H](C)CC ZINC000036316400 569762712 /nfs/dbraw/zinc/76/27/12/569762712.db2.gz YNYGAYHNKRAINX-GMAHTHKFSA-N 1 0 481.637 5.234 50 0 JKAARO CCCCOC[C@@H](O)C[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C(C)C ZINC000036316393 569762808 /nfs/dbraw/zinc/76/28/08/569762808.db2.gz LREDNQDFYNIWAP-DEOSSOPVSA-N 1 0 495.664 5.624 50 0 JKAARO CCOC[C@@H](O)C[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)CC(C)C ZINC000036316360 569762823 /nfs/dbraw/zinc/76/28/23/569762823.db2.gz GSRBENIBWYXOPI-QHCPKHFHSA-N 1 0 481.637 5.091 50 0 JKAARO CCc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@H+](CC(C)C)C[C@@H](O)COC(C)C ZINC000036316453 569763141 /nfs/dbraw/zinc/76/31/41/569763141.db2.gz NMUOLNXRZOQJGZ-HSZRJFAPSA-N 1 0 483.628 5.610 50 0 JKAARO CC(C)OC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)C(C)C ZINC000036316546 569763210 /nfs/dbraw/zinc/76/32/10/569763210.db2.gz HGHKNEUODDWSHO-NRFANRHFSA-N 1 0 472.029 5.529 50 0 JKAARO CCC[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C[C@@H](O)COC(C)C ZINC000036316503 569763264 /nfs/dbraw/zinc/76/32/64/569763264.db2.gz LMINUXCYTSLJSZ-HSZRJFAPSA-N 1 0 469.601 5.364 50 0 JKAARO CC(C)OC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)C(C)C ZINC000036316547 569763274 /nfs/dbraw/zinc/76/32/74/569763274.db2.gz HGHKNEUODDWSHO-OAQYLSRUSA-N 1 0 472.029 5.529 50 0 JKAARO CCCC[C@H](O)C[NH+]1CCN(c2nc(-c3ccccc3)nc(CC)c2Cc2ccccc2F)CC1 ZINC000036340852 569763942 /nfs/dbraw/zinc/76/39/42/569763942.db2.gz FVGXYIGHHZNSGL-DEOSSOPVSA-N 1 0 476.640 5.109 50 0 JKAARO COc1ccc([C@H]2CC(c3ccccc3F)=NN2C(=O)C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000036341224 569764384 /nfs/dbraw/zinc/76/43/84/569764384.db2.gz LGHPWBQDFNBLJF-GDLZYMKVSA-N 1 0 485.603 5.467 50 0 JKAARO O=C(C[NH+]1CCC(Cc2ccccc2)CC1)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccc(F)cc1 ZINC000036341287 569764498 /nfs/dbraw/zinc/76/44/98/569764498.db2.gz FKEDNLUHXBBLPY-NDEPHWFRSA-N 1 0 473.567 5.597 50 0 JKAARO O=C(C[NH+]1CCC(Cc2ccccc2)CC1)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccccc1 ZINC000036341570 569764714 /nfs/dbraw/zinc/76/47/14/569764714.db2.gz WYEKQXMZQYGDEX-MUUNZHRXSA-N 1 0 455.577 5.458 50 0 JKAARO Cc1ccc(C2=NN(C(=O)C[NH+]3CCC(Cc4ccccc4)CC3)[C@H](c3cccn3C)C2)cc1C ZINC000036341916 569764809 /nfs/dbraw/zinc/76/48/09/569764809.db2.gz KBQALUFHIZKNTL-LJAQVGFWSA-N 1 0 468.645 5.274 50 0 JKAARO O=C(C[NH+]1CCC(Cc2ccccc2)CC1)N1N=C(c2ccccc2F)C[C@H]1c1ccc2c(c1)OCO2 ZINC000036341838 569764876 /nfs/dbraw/zinc/76/48/76/569764876.db2.gz XBRJAEIOBDZDPF-MHZLTWQESA-N 1 0 499.586 5.187 50 0 JKAARO Cn1cccc1[C@@H]1CC(c2ccccc2Cl)=NN1C(=O)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000036341936 569764946 /nfs/dbraw/zinc/76/49/46/569764946.db2.gz VBHPWYOBACSAPF-MHZLTWQESA-N 1 0 475.036 5.311 50 0 JKAARO CC[C@H](C)[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@H](O)COC(C)C ZINC000036342009 569765057 /nfs/dbraw/zinc/76/50/57/569765057.db2.gz HZOWYFLPMBRRRR-REWPJTCUSA-N 1 0 469.601 5.499 50 0 JKAARO COc1cccc(Oc2c(C[N@H+](CC(C)C)C[C@H](O)COC(C)(C)C)c(C)nn2-c2ccccc2)c1 ZINC000036341972 569765102 /nfs/dbraw/zinc/76/51/02/569765102.db2.gz AETLXXHNRYRAJK-DEOSSOPVSA-N 1 0 495.664 5.616 50 0 JKAARO CC[C@H](C)[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C[C@H](O)COC(C)(C)C ZINC000036342075 569765229 /nfs/dbraw/zinc/76/52/29/569765229.db2.gz NHZSDIKWFHMHAA-RDPSFJRHSA-N 1 0 483.628 5.889 50 0 JKAARO CCCCOC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)[C@@H](C)CC ZINC000036342068 569765298 /nfs/dbraw/zinc/76/52/98/569765298.db2.gz QXAQDCYNPIVUGC-SQJMNOBHSA-N 1 0 483.628 5.890 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[N@H+](C[C@H](O)COCC(C)C)CC1CC1 ZINC000036342116 569765463 /nfs/dbraw/zinc/76/54/63/569765463.db2.gz BXGBBLKYONMTOU-VWLOTQADSA-N 1 0 481.612 5.358 50 0 JKAARO COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)C[NH+]2CCC(Cc3ccccc3)CC2)c(OC)c1 ZINC000036343360 569766309 /nfs/dbraw/zinc/76/63/09/569766309.db2.gz AALYXROTEKFYHL-GDLZYMKVSA-N 1 0 497.639 5.336 50 0 JKAARO O=C(C[NH+]1CCC(Cc2ccccc2)CC1)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1Cl ZINC000036343735 569766503 /nfs/dbraw/zinc/76/65/03/569766503.db2.gz KHQZFYCXLCBBJK-MUUNZHRXSA-N 1 0 472.032 5.972 50 0 JKAARO CCOc1ccc([C@@H]2CC(c3ccc(C)cc3)=NN2C(=O)C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000036344092 569766715 /nfs/dbraw/zinc/76/67/15/569766715.db2.gz KPLPAMFSFIBUTL-HKBQPEDESA-N 1 0 495.667 6.026 50 0 JKAARO CCOc1ccc([C@@H]2CC(c3ccc(OC)cc3OC)=NN2C(=O)C[N@H+](C)C2CCCCC2)cc1 ZINC000036344050 569766730 /nfs/dbraw/zinc/76/67/30/569766730.db2.gz VTFSQRSVEZOOEW-SANMLTNESA-N 1 0 479.621 5.045 50 0 JKAARO Cc1ccc(C2=NN(C(=O)C[NH+]3CCC(Cc4ccccc4)CC3)[C@@H](c3ccc4c(c3)OCO4)C2)cc1 ZINC000036344453 569767023 /nfs/dbraw/zinc/76/70/23/569767023.db2.gz GAWRFEOUEOMESI-MUUNZHRXSA-N 1 0 495.623 5.356 50 0 JKAARO Cc1cccc(C2=NN(C(=O)C[NH+]3CCC(Cc4ccccc4)CC3)[C@@H](c3cc(C)ccc3C)C2)c1 ZINC000036344637 569767273 /nfs/dbraw/zinc/76/72/73/569767273.db2.gz KCFXXRCXTPMQDJ-WJOKGBTCSA-N 1 0 479.668 6.244 50 0 JKAARO Cc1ccc(C2=NN(C(=O)C[NH+]3CCC(Cc4ccccc4)CC3)[C@@H](c3ccccc3C)C2)c(C)c1 ZINC000036344992 569767718 /nfs/dbraw/zinc/76/77/18/569767718.db2.gz ROIRUJIOHWTHNJ-WJOKGBTCSA-N 1 0 479.668 6.244 50 0 JKAARO O=C(C[NH+]1CCC(Cc2ccccc2)CC1)N1N=C(c2ccccc2)C[C@H]1c1ccc(F)cc1 ZINC000036345207 569767772 /nfs/dbraw/zinc/76/77/72/569767772.db2.gz FMSUETRHAMTEDO-NDEPHWFRSA-N 1 0 455.577 5.458 50 0 JKAARO Cc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000036345543 569768036 /nfs/dbraw/zinc/76/80/36/569768036.db2.gz TURREYZEZVQLOD-LJAQVGFWSA-N 1 0 451.614 5.627 50 0 JKAARO O=C(C[NH+]1CCC(Cc2ccccc2)CC1)N1N=C(c2cccc(F)c2)C[C@@H]1c1ccc2c(c1)OCO2 ZINC000036345618 569768041 /nfs/dbraw/zinc/76/80/41/569768041.db2.gz VOPPBMWBBFGBRS-HHHXNRCGSA-N 1 0 499.586 5.187 50 0 JKAARO COc1cccc([C@H]2CC(c3cccc(C)c3)=NN2C(=O)C[NH+]2CCC(Cc3ccccc3)CC2)c1 ZINC000036345646 569768074 /nfs/dbraw/zinc/76/80/74/569768074.db2.gz FNPSIHGFXZHTCJ-SSEXGKCCSA-N 1 0 481.640 5.636 50 0 JKAARO CCc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[N@H+](C[C@H](O)Cc1ccccc1)C(C)C ZINC000036345803 569768207 /nfs/dbraw/zinc/76/82/07/569768207.db2.gz YKIOGURSZPMEFD-AREMUKBSSA-N 1 0 487.619 6.180 50 0 JKAARO CCOC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)[C@@H](C)CC ZINC000036345828 569768355 /nfs/dbraw/zinc/76/83/55/569768355.db2.gz HYMXTUIGQHQFCD-URXFXBBRSA-N 1 0 451.611 5.279 50 0 JKAARO CCOC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)CC(C)C ZINC000036345848 569768479 /nfs/dbraw/zinc/76/84/79/569768479.db2.gz DSZMAKIPDMSNOU-DEOSSOPVSA-N 1 0 451.611 5.137 50 0 JKAARO CCOC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)[C@H](C)CC ZINC000036345827 569768500 /nfs/dbraw/zinc/76/85/00/569768500.db2.gz HYMXTUIGQHQFCD-QPPBQGQZSA-N 1 0 451.611 5.279 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@H+](CC(C)C)C[C@@H](O)Cc1ccccc1 ZINC000036345964 569768559 /nfs/dbraw/zinc/76/85/59/569768559.db2.gz MSZKJAUIGRUQGM-SANMLTNESA-N 1 0 487.619 6.174 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@@H+](CC(C)C)C[C@H](O)COCC(C)C ZINC000036345965 569768610 /nfs/dbraw/zinc/76/86/10/569768610.db2.gz DNTZGCMDGLWPII-DEOSSOPVSA-N 1 0 483.628 5.604 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@H+](C[C@@H](O)COCC(C)C)CC1CC1 ZINC000036345946 569768637 /nfs/dbraw/zinc/76/86/37/569768637.db2.gz YYCWZVBMHRUYDZ-AREMUKBSSA-N 1 0 477.649 5.527 50 0 JKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@@H](O)COC(C)(C)C ZINC000036346068 569768749 /nfs/dbraw/zinc/76/87/49/569768749.db2.gz DOCVRMWVNURADV-JOCHJYFZSA-N 1 0 469.601 5.500 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1C[N@H+](CC(C)C)C[C@H](O)COC(C)(C)C ZINC000036346127 569769010 /nfs/dbraw/zinc/76/90/10/569769010.db2.gz XODBHTGNLXZMGC-VWLOTQADSA-N 1 0 479.665 5.915 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1C[N@H+](CC(C)C)C[C@H](O)COC(C)C ZINC000036346115 569769061 /nfs/dbraw/zinc/76/90/61/569769061.db2.gz VQLZBTYEGDPUGT-VWLOTQADSA-N 1 0 465.638 5.525 50 0 JKAARO CC[C@@H](C)[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@H](O)COC(C)C ZINC000036346183 569769199 /nfs/dbraw/zinc/76/91/99/569769199.db2.gz APWGJNYOCUHSHT-RDGATRHJSA-N 1 0 465.638 5.668 50 0 JKAARO CCOC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)[C@@H](C)CC ZINC000036346194 569769241 /nfs/dbraw/zinc/76/92/41/569769241.db2.gz WTAKVRIEVMBHGD-URXFXBBRSA-N 1 0 451.611 5.279 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@@H+](C[C@@H](O)COC(C)C)C(C)C ZINC000036346290 569769444 /nfs/dbraw/zinc/76/94/44/569769444.db2.gz HZJHNYCMBLAKDT-HSZRJFAPSA-N 1 0 455.574 5.108 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@H+](C[C@H](O)c1ccccc1)CC1CC1 ZINC000036346417 569769645 /nfs/dbraw/zinc/76/96/45/569769645.db2.gz LTUDNZDRTIHKRI-NDEPHWFRSA-N 1 0 471.576 6.058 50 0 JKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@H](O)COC(C)(C)C ZINC000036346386 569769648 /nfs/dbraw/zinc/76/96/48/569769648.db2.gz UCBXMSVTXDQIPK-QHCPKHFHSA-N 1 0 469.601 5.500 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@H+](C[C@@H](O)COC(C)(C)C)CC1CC1 ZINC000036346434 569769696 /nfs/dbraw/zinc/76/96/96/569769696.db2.gz JDKXREOCSLHTTF-XMMPIXPASA-N 1 0 481.612 5.500 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@H+](C[C@H](O)COCC(C)C)CC1CC1 ZINC000036346425 569769762 /nfs/dbraw/zinc/76/97/62/569769762.db2.gz HUKBYGVYRJYPDO-VWLOTQADSA-N 1 0 481.612 5.358 50 0 JKAARO CCOC[C@H](O)C[N@H+](Cc1c(C(C)C)nn(-c2ccc(OC)cc2)c1Oc1ccccc1)C(C)C ZINC000036346479 569769861 /nfs/dbraw/zinc/76/98/61/569769861.db2.gz VYXDSJNCVPVWME-HSZRJFAPSA-N 1 0 481.637 5.404 50 0 JKAARO CCC[N@@H+](Cc1c(C(C)C)nn(-c2ccc(OC)cc2)c1Oc1ccccc1)C[C@@H](O)CC ZINC000036346494 569769882 /nfs/dbraw/zinc/76/98/82/569769882.db2.gz HWCJWANYMFSTNX-QFIPXVFZSA-N 1 0 451.611 5.780 50 0 JKAARO CCc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@H+](C[C@@H](O)COC(C)C)CC1CC1 ZINC000036346530 569769943 /nfs/dbraw/zinc/76/99/43/569769943.db2.gz YKHDZKIJLAGPPX-RUZDIDTESA-N 1 0 477.649 5.533 50 0 JKAARO CCc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@H+](C[C@H](O)COC(C)C)CC1CC1 ZINC000036346529 569769946 /nfs/dbraw/zinc/76/99/46/569769946.db2.gz YKHDZKIJLAGPPX-VWLOTQADSA-N 1 0 477.649 5.533 50 0 JKAARO CCC[N@@H+](Cc1c(C(C)C)nn(-c2ccc(OC)cc2)c1Oc1ccccc1)C[C@H](O)COCC ZINC000036346499 569769954 /nfs/dbraw/zinc/76/99/54/569769954.db2.gz BPBAEEUDTFFBRD-QHCPKHFHSA-N 1 0 481.637 5.406 50 0 JKAARO COc1ccc(-n2nc(C(C)C)c(C[N@H+](C[C@H](O)c3ccccc3)C(C)C)c2Oc2ccccc2)cc1 ZINC000036346465 569769987 /nfs/dbraw/zinc/76/99/87/569769987.db2.gz QFGMBDQQAIUTDB-LJAQVGFWSA-N 1 0 499.655 6.741 50 0 JKAARO CCc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@H+](C[C@@H](O)COC(C)C)C(C)C ZINC000036346508 569769997 /nfs/dbraw/zinc/76/99/97/569769997.db2.gz OIYFXYRFYSFFPT-XMMPIXPASA-N 1 0 465.638 5.532 50 0 JKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccccc1F)C[C@H](O)COCC(C)C ZINC000036346599 569770072 /nfs/dbraw/zinc/77/00/72/569770072.db2.gz VUIHSRJMZAVYKX-QHCPKHFHSA-N 1 0 487.591 5.497 50 0 JKAARO CCCCOC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccccc1F)C(C)C ZINC000036346594 569770129 /nfs/dbraw/zinc/77/01/29/569770129.db2.gz GBHUHIMWJASHOS-QHCPKHFHSA-N 1 0 487.591 5.639 50 0 JKAARO CCCC[C@H](O)C[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(C)cc1)CC1CC1 ZINC000036346553 569770177 /nfs/dbraw/zinc/77/01/77/569770177.db2.gz GCPXNRQUHWFIMD-VWLOTQADSA-N 1 0 461.650 6.299 50 0 JKAARO Cc1nn(-c2ccc(F)cc2)c(Oc2cccc(F)c2)c1C[N@@H+](C[C@H](O)COC(C)C)C(C)C ZINC000036346637 569770296 /nfs/dbraw/zinc/77/02/96/569770296.db2.gz VYIZGCSNSZCAFX-QHCPKHFHSA-N 1 0 473.564 5.248 50 0 JKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1cccc(F)c1)C[C@@H](O)COC(C)(C)C ZINC000036346664 569770416 /nfs/dbraw/zinc/77/04/16/569770416.db2.gz HDZUGXYIFBVVSV-HSZRJFAPSA-N 1 0 487.591 5.639 50 0 JKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccccc1F)C[C@@H](O)COC(C)(C)C ZINC000036346606 569770433 /nfs/dbraw/zinc/77/04/33/569770433.db2.gz RAPXCGGQEYVPLC-JOCHJYFZSA-N 1 0 487.591 5.639 50 0 JKAARO CCCCOC[C@H](O)C[N@H+](CCC)Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1cccc(F)c1 ZINC000036346675 569770579 /nfs/dbraw/zinc/77/05/79/569770579.db2.gz UNGGWZDENUHHHX-XMMPIXPASA-N 1 0 487.591 5.641 50 0 JKAARO CCCCOC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1)C(C)C ZINC000036346717 569770655 /nfs/dbraw/zinc/77/06/55/569770655.db2.gz ZCRPYWWPKADFLK-XMMPIXPASA-N 1 0 487.591 5.639 50 0 JKAARO CCCC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1)C(C)C ZINC000036346715 569770685 /nfs/dbraw/zinc/77/06/85/569770685.db2.gz VOLHTWLHEXVGSZ-QHCPKHFHSA-N 1 0 457.565 6.013 50 0 JKAARO Cc1nn(-c2ccc(F)cc2)c(Oc2ccc(F)cc2)c1C[N@@H+](C[C@H](O)COCC(C)C)C(C)C ZINC000036346699 569770700 /nfs/dbraw/zinc/77/07/00/569770700.db2.gz HOFNTEMVTVGZTD-DEOSSOPVSA-N 1 0 487.591 5.495 50 0 JKAARO CCCC[C@H](O)C[N@H+](CCC)Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1 ZINC000036346767 569770771 /nfs/dbraw/zinc/77/07/71/569770771.db2.gz HEBPBEQUUQKFTH-QHCPKHFHSA-N 1 0 457.565 6.014 50 0 JKAARO Cc1ccc(Oc2c(C[N@@H+](CC(C)C)C[C@H](O)COCC(C)C)c(-c3ccccc3)nn2C)cc1 ZINC000036346775 569770776 /nfs/dbraw/zinc/77/07/76/569770776.db2.gz LHVWJGULSAETLU-VWLOTQADSA-N 1 0 479.665 5.679 50 0 JKAARO Cc1ccc(Oc2c(C[N@H+](Cc3ccccc3)C[C@@H](O)COC(C)C)c(-c3ccccc3)nn2C)cc1 ZINC000036346798 569770781 /nfs/dbraw/zinc/77/07/81/569770781.db2.gz RUSYDLAXUJESFB-HHHXNRCGSA-N 1 0 499.655 5.976 50 0 JKAARO CCCC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)Cc1ccccc1 ZINC000036346809 569770836 /nfs/dbraw/zinc/77/08/36/569770836.db2.gz KIWLJXMOGOOHCN-MHZLTWQESA-N 1 0 483.656 6.741 50 0 JKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1)C[C@@H](O)COC(C)(C)C ZINC000036346760 569770863 /nfs/dbraw/zinc/77/08/63/569770863.db2.gz BBPXOCFJJPTRRQ-HSZRJFAPSA-N 1 0 487.591 5.639 50 0 JKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1)C[C@@H](O)COCC(C)C ZINC000036346752 569770896 /nfs/dbraw/zinc/77/08/96/569770896.db2.gz CPTROJWXDUICOO-XMMPIXPASA-N 1 0 487.591 5.497 50 0 JKAARO CCCCOC[C@@H](O)C[N@H+](CCC)Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1 ZINC000036346770 569770899 /nfs/dbraw/zinc/77/08/99/569770899.db2.gz IIECWYPGCXXSFC-DEOSSOPVSA-N 1 0 487.591 5.641 50 0 JKAARO FC(F)(F)c1ccc([C@@H]2c3cccn3CCC[N@H+]2Cc2cccc(Oc3ccccc3)c2)cc1 ZINC000036347353 569770966 /nfs/dbraw/zinc/77/09/66/569770966.db2.gz QYNZFNDAEFLUEU-HHHXNRCGSA-N 1 0 462.515 7.295 50 0 JKAARO O=C(CCCCCCN1CC[N@@H+]2CCC[C@H]2C1)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000100923808 569775978 /nfs/dbraw/zinc/77/59/78/569775978.db2.gz QDZLSZKODUOQHK-NRFANRHFSA-N 1 0 470.082 6.200 50 0 JKAARO COc1cccc([C@H]2C[N@H+](Cc3cccc(F)c3)C[C@@H]2CN(CC(C)C)C(=O)c2ccc(F)cc2)c1 ZINC000037276310 569782182 /nfs/dbraw/zinc/78/21/82/569782182.db2.gz GNOYEOYBGUZXFS-VAVYLYDRSA-N 1 0 492.610 5.987 50 0 JKAARO COc1cccc([C@@H]2C[N@H+](Cc3cccc(C)c3)C[C@@H]2CN(CC(C)C)C(=O)c2ccc(F)cc2)c1 ZINC000037276304 569782227 /nfs/dbraw/zinc/78/22/27/569782227.db2.gz SLUROFLKXDYWOD-OFSOJUDTSA-N 1 0 488.647 6.157 50 0 JKAARO Nc1c2c(nn1-c1ccc(Cl)cc1)nc(NCC[NH+]1CCCCC1)nc2-c1cccc(Cl)c1 ZINC000037358447 569783606 /nfs/dbraw/zinc/78/36/06/569783606.db2.gz BZIJDUSZWURXKN-UHFFFAOYSA-N 1 0 482.419 5.269 50 0 JKAARO CCCc1nc2c(c(C)nn2-c2ccc(F)cc2)c(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)n1 ZINC000037379720 569784820 /nfs/dbraw/zinc/78/48/20/569784820.db2.gz ISWVSEZCBQYYOE-UHFFFAOYSA-N 1 0 476.575 5.067 50 0 JKAARO CCc1cccc2c([C@@H](CC(=O)N[C@@H](C)CCC[NH+](CC)CC)c3ccc(OC)c(OC)c3)c[nH]c21 ZINC000037380235 569784827 /nfs/dbraw/zinc/78/48/27/569784827.db2.gz NYOVPJMALYCNGK-OFVILXPXSA-N 1 0 493.692 5.896 50 0 JKAARO CCc1cccc2c([C@H](CC(=O)N[C@H](C)CCC[NH+](CC)CC)c3ccc(OC)c(OC)c3)c[nH]c21 ZINC000037380244 569784833 /nfs/dbraw/zinc/78/48/33/569784833.db2.gz NYOVPJMALYCNGK-PXDATVDWSA-N 1 0 493.692 5.896 50 0 JKAARO Cc1nn(-c2ccc(F)cc2)c2nc(Cc3ccccc3)nc(N3CC[NH+](Cc4cccs4)CC3)c12 ZINC000037380046 569784858 /nfs/dbraw/zinc/78/48/58/569784858.db2.gz KNCUZTHERYKZRP-UHFFFAOYSA-N 1 0 498.631 5.238 50 0 JKAARO O=C(C[C@H](CCc1ccccc1)c1cn(Cc2ccccc2)c2ccccc12)NCC[NH+]1CCCC1 ZINC000037381246 569784956 /nfs/dbraw/zinc/78/49/56/569784956.db2.gz MCOAXVRTDZEVTI-NDEPHWFRSA-N 1 0 479.668 6.008 50 0 JKAARO O=C(C[C@@H](CCc1ccccc1)c1cn(Cc2ccccc2)c2ccccc12)NCC[NH+]1CCCC1 ZINC000037381250 569785015 /nfs/dbraw/zinc/78/50/15/569785015.db2.gz MCOAXVRTDZEVTI-MUUNZHRXSA-N 1 0 479.668 6.008 50 0 JKAARO Cc1ccc(Cn2cc([C@@H](CC(=O)NCC[NH+]3CCCC3)C3CCCCC3)c3ccccc32)cc1 ZINC000037381690 569785142 /nfs/dbraw/zinc/78/51/42/569785142.db2.gz XZTWAWXTBUVRDO-NDEPHWFRSA-N 1 0 471.689 6.264 50 0 JKAARO COc1ccccc1[C@H]1C[N@H+](Cc2ccc(F)c(F)c2)C[C@@H]1CN(CC(C)C)C(=O)C(C)C ZINC000037523980 569792909 /nfs/dbraw/zinc/79/29/09/569792909.db2.gz YDVAVRUXNFOTJQ-GGAORHGYSA-N 1 0 458.593 5.330 50 0 JKAARO CC(C)CN(C[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2)C[C@@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000037523705 569792928 /nfs/dbraw/zinc/79/29/28/569792928.db2.gz ZPIVUCUQUYZFHQ-WIOPSUGQSA-N 1 0 478.574 6.201 50 0 JKAARO C[NH+](C)CCNC(=O)Cc1ccc(N(Cc2ccccc2)C(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000037556722 569795242 /nfs/dbraw/zinc/79/52/42/569795242.db2.gz CQUKTIOFWUSEOD-UHFFFAOYSA-N 1 0 484.427 5.061 50 0 JKAARO COc1ccc(C[NH+]2CCC(N(C(=O)c3ccc(OC)cc3)c3cccc(OC)c3)CC2)cc1 ZINC000037570522 569795730 /nfs/dbraw/zinc/79/57/30/569795730.db2.gz RYYBEDJDBWBBLM-UHFFFAOYSA-N 1 0 460.574 5.024 50 0 JKAARO COc1cccc(N(C(=O)c2cccc(Cl)c2)C2CC[NH+](Cc3ccccc3OC)CC2)c1 ZINC000037570529 569795781 /nfs/dbraw/zinc/79/57/81/569795781.db2.gz YWQZNKYZMBTIFX-UHFFFAOYSA-N 1 0 464.993 5.669 50 0 JKAARO Cc1cccc(C[NH+]2CCC(N(c3ccc(F)cc3)S(=O)(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000037572234 569795839 /nfs/dbraw/zinc/79/58/39/569795839.db2.gz POTAEEBDJCGFGE-UHFFFAOYSA-N 1 0 473.013 5.647 50 0 JKAARO Cc1ccc(C[NH+]2CCC(N(c3ccc(F)cc3)S(=O)(=O)c3ccccc3C)CC2)cc1 ZINC000037570699 569795859 /nfs/dbraw/zinc/79/58/59/569795859.db2.gz CFKVKFWDFBOHLS-UHFFFAOYSA-N 1 0 452.595 5.302 50 0 JKAARO Cc1cccc(C[NH+]2CCC(N(c3ccc(F)cc3)S(=O)(=O)c3ccccc3C)CC2)c1 ZINC000037571142 569795926 /nfs/dbraw/zinc/79/59/26/569795926.db2.gz MHILDAAKXPNOMR-UHFFFAOYSA-N 1 0 452.595 5.302 50 0 JKAARO Cc1ccc(C(=O)N(Cc2ccc(F)cc2)c2cccc(CC(=O)NCC[NH+]3CCCCC3)c2)cc1 ZINC000037601092 569797129 /nfs/dbraw/zinc/79/71/29/569797129.db2.gz YHEURISYOCXUKE-UHFFFAOYSA-N 1 0 487.619 5.126 50 0 JKAARO Cc1ccc(CN(C(=O)c2ccccc2C)c2cccc(CC(=O)NCC[NH+]3CCCCC3)c2)cc1 ZINC000037601164 569797367 /nfs/dbraw/zinc/79/73/67/569797367.db2.gz AMISCEUYZNAKSY-UHFFFAOYSA-N 1 0 483.656 5.295 50 0 JKAARO COc1ccccc1[C@H](c1c(NC(=O)c2ccco2)sc2c1CCCC2)[NH+]1CCCCC1 ZINC000038545958 569802696 /nfs/dbraw/zinc/80/26/96/569802696.db2.gz HVHJSJHCJDYLSU-XMMPIXPASA-N 1 0 450.604 6.056 50 0 JKAARO COc1ccc([C@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)[NH+]2CCCCC2)cc1OC ZINC000038546137 569802723 /nfs/dbraw/zinc/80/27/23/569802723.db2.gz KWWXXLGJFXIGNF-RUZDIDTESA-N 1 0 480.630 6.065 50 0 JKAARO CCc1cc([C@@H](c2cccc(OC)c2OC)[NH+]2CCC(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546301 569802789 /nfs/dbraw/zinc/80/27/89/569802789.db2.gz PMNMWJLNKMTHHN-HSZRJFAPSA-N 1 0 468.619 5.994 50 0 JKAARO COc1ccc(OC)c([C@@H](c2cc(C)sc2NC(=O)c2ccco2)[NH+]2CCC(C)CC2)c1 ZINC000038546272 569802829 /nfs/dbraw/zinc/80/28/29/569802829.db2.gz MWYKYBAHRWLKHD-QHCPKHFHSA-N 1 0 454.592 5.740 50 0 JKAARO CCOc1ccc([C@@H](c2c3c(sc2NC(=O)c2ccco2)CCCC3)[NH+]2CCC(C)CC2)cc1 ZINC000038546330 569802871 /nfs/dbraw/zinc/80/28/71/569802871.db2.gz SKRPSYDDOJSVAT-SANMLTNESA-N 1 0 478.658 6.692 50 0 JKAARO CC1CC[NH+]([C@@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)c2ccc(F)cc2)CC1 ZINC000038546316 569802876 /nfs/dbraw/zinc/80/28/76/569802876.db2.gz DHLZOYJIZGAZFU-XMMPIXPASA-N 1 0 452.595 6.433 50 0 JKAARO COc1ccc([C@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)[NH+]2CCC(C)CC2)cc1OC ZINC000038546333 569802883 /nfs/dbraw/zinc/80/28/83/569802883.db2.gz FZFBAWOVGALWBZ-AREMUKBSSA-N 1 0 494.657 6.311 50 0 JKAARO CCc1cc([C@H](c2cccc(OC)c2OC)[NH+]2CCC(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546302 569802938 /nfs/dbraw/zinc/80/29/38/569802938.db2.gz PMNMWJLNKMTHHN-QHCPKHFHSA-N 1 0 468.619 5.994 50 0 JKAARO CC1CC[NH+]([C@@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)c2cccc(F)c2)CC1 ZINC000038546318 569802992 /nfs/dbraw/zinc/80/29/92/569802992.db2.gz XSJZCASTMUFFML-XMMPIXPASA-N 1 0 452.595 6.433 50 0 JKAARO COc1cccc([C@H](c2c(C)c(C)sc2NC(=O)c2cccs2)[NH+]2CCC(C)CC2)c1OC ZINC000038546716 569803572 /nfs/dbraw/zinc/80/35/72/569803572.db2.gz ISGJZDBKWYYJFX-HSZRJFAPSA-N 1 0 484.687 6.517 50 0 JKAARO CC[NH+]1CCN([C@H](c2c(C)c(C)sc2NC(=O)c2cccs2)c2ccc(C(C)C)cc2)CC1 ZINC000038546794 569803626 /nfs/dbraw/zinc/80/36/26/569803626.db2.gz QXHFTKBNJRJLAA-VWLOTQADSA-N 1 0 481.731 6.529 50 0 JKAARO CC[NH+]1CCN([C@H](c2c(C)c(C)sc2NC(=O)c2cccs2)c2cccc(F)c2)CC1 ZINC000038546779 569803713 /nfs/dbraw/zinc/80/37/13/569803713.db2.gz ABWBWBQUTURJLO-QFIPXVFZSA-N 1 0 457.640 5.545 50 0 JKAARO CC[NH+]1CCN([C@@H](c2c(C)c(C)sc2NC(=O)c2cccs2)c2cccc(OC)c2)CC1 ZINC000038546770 569803710 /nfs/dbraw/zinc/80/37/10/569803710.db2.gz HMLISRBSNGEGLP-HSZRJFAPSA-N 1 0 469.676 5.414 50 0 JKAARO CC(C)[NH+](CC[C@H](c1ccccc1)c1cc(Br)ccc1OCc1ccccc1)C(C)C ZINC000039351522 569809345 /nfs/dbraw/zinc/80/93/45/569809345.db2.gz UCYJWCSOSZIQLQ-AREMUKBSSA-N 1 0 480.490 7.669 50 0 JKAARO COC1=C(/C=C/C2=[N+](C)c3ccccc3C2(C)C)CC/C1=C\C=C1\N(C)c2ccccc2C1(C)C ZINC000039440231 569809873 /nfs/dbraw/zinc/80/98/73/569809873.db2.gz QGTPUTLXIOHHJT-UHFFFAOYSA-N 1 0 465.661 7.181 50 0 JKAARO CCN1c2ccccc2S/C1=C\C=C1/CCC(/C=C/c2sc3ccccc3[n+]2CC)=C1OC ZINC000039440206 569809901 /nfs/dbraw/zinc/80/99/01/569809901.db2.gz BBUABQGFIBHLRM-UHFFFAOYSA-N 1 0 473.687 7.316 50 0 JKAARO CCCc1ccc([C@H]([NH2+][C@@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c2cccs2)cc1 ZINC000039992570 569813415 /nfs/dbraw/zinc/81/34/15/569813415.db2.gz ATIKYBJPOGMRCZ-SIBVEZHUSA-N 1 0 488.657 5.205 50 0 JKAARO CCCc1ccc([C@@H]([NH2+][C@@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c2cccs2)cc1 ZINC000039992572 569813420 /nfs/dbraw/zinc/81/34/20/569813420.db2.gz ATIKYBJPOGMRCZ-AFMDSPMNSA-N 1 0 488.657 5.205 50 0 JKAARO COc1cccc([C@@H](CC(=O)NCCC[N@@H+]2CCCC[C@@H]2C)c2c[nH]c3ccccc32)c1OC ZINC000103071886 569832527 /nfs/dbraw/zinc/83/25/27/569832527.db2.gz JAMXHXVUHRCKPC-NZQKXSOJSA-N 1 0 463.622 5.088 50 0 JKAARO Cc1c(C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)oc2ccc3c(c12)[C@@H](O)CC1(CCCCC1)O3 ZINC000103666966 569836894 /nfs/dbraw/zinc/83/68/94/569836894.db2.gz LKLJFAMXVBICDY-SBHAEUEKSA-N 1 0 468.638 5.358 50 0 biogenic JKAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H](C)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000103653322 569836903 /nfs/dbraw/zinc/83/69/03/569836903.db2.gz ADHVRVGKBCKWRB-SIKLNZKXSA-N 1 0 453.030 5.689 50 0 JKAARO CC(C)C[N@H+](Cc1ccc(C(C)C)cc1)Cc1cc(=O)n2nc(C3CCCCC3)sc2n1 ZINC000046032526 569843050 /nfs/dbraw/zinc/84/30/50/569843050.db2.gz JVYGXVVITVXYFX-UHFFFAOYSA-N 1 0 452.668 5.980 50 0 JKAARO O=C(Nc1ccccc1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](CCc3ccccc3)C[C@H]12 ZINC000104916643 569846978 /nfs/dbraw/zinc/84/69/78/569846978.db2.gz WVMBOVLKZUQLQJ-AZGAKELHSA-N 1 0 479.546 5.250 50 0 JKAARO CC[C@@H](C)NC(=O)c1coc(CN(Cc2ccc(C(F)(F)F)cc2)[C@H](C)c2ccccc2)n1 ZINC000104963895 569847795 /nfs/dbraw/zinc/84/77/95/569847795.db2.gz UKJABPKAMOKQIB-QZTJIDSGSA-N 1 0 459.512 5.985 50 0 JKAARO O[C@@H](COCc1ccccc1)C[N@@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104983122 569847928 /nfs/dbraw/zinc/84/79/28/569847928.db2.gz ZMBILRAWYDXLTA-CLJLJLNGSA-N 1 0 482.983 5.052 50 0 JKAARO CC(C)COC[C@@H](O)C[N@@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000104982617 569847934 /nfs/dbraw/zinc/84/79/34/569847934.db2.gz CURVSYVAOPJFFZ-LEWJYISDSA-N 1 0 483.411 5.161 50 0 JKAARO Cc1ccccc1OC[C@@H](O)C[N@@H+](Cc1ccccc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104982699 569848008 /nfs/dbraw/zinc/84/80/08/569848008.db2.gz QJBASNOVBDTTFL-LOSJGSFVSA-N 1 0 464.993 5.084 50 0 JKAARO CC(C)COC[C@@H](O)C[N@@H+](Cc1ccccc1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000104983091 569848033 /nfs/dbraw/zinc/84/80/33/569848033.db2.gz UKEDXPVJNPBQBJ-LEWJYISDSA-N 1 0 465.421 5.022 50 0 JKAARO CCCC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)[C@H](C)CC ZINC000105005798 569849849 /nfs/dbraw/zinc/84/98/49/569849849.db2.gz IWODRLCSHBUFCO-FYYLOGMGSA-N 1 0 465.638 6.040 50 0 JKAARO CCOC[C@H](O)C[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)[C@H](C)CC ZINC000105006836 569849871 /nfs/dbraw/zinc/84/98/71/569849871.db2.gz YNYGAYHNKRAINX-FYYLOGMGSA-N 1 0 481.637 5.234 50 0 JKAARO CC[C@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@@H+](Cc1cccc(C)c1)CC2)C(=O)NC[C@H]1CCCO1 ZINC000105023284 569851405 /nfs/dbraw/zinc/85/14/05/569851405.db2.gz WEXYDHIQPYZQSU-WEAWZCMZSA-N 1 0 498.667 5.595 50 0 JKAARO Cc1cccc(C[N@H+]2CCc3ccc(O[C@H](C)C(=O)N(C)Cc4ccco4)cc3[C@@H]2c2ccccc2)c1 ZINC000105034754 569851458 /nfs/dbraw/zinc/85/14/58/569851458.db2.gz VUFGREGMGZHINS-XJFCNFDWSA-N 1 0 494.635 6.162 50 0 JKAARO COc1ccccc1[C@H]1C[N@H+](Cc2ccc(C)s2)C[C@@H]1CN(CC(C)C)C(=O)c1ccccc1 ZINC000105042153 569851583 /nfs/dbraw/zinc/85/15/83/569851583.db2.gz QNMGOQHXBZGOJY-SQHAQQRYSA-N 1 0 476.686 6.079 50 0 JKAARO COc1cccc([C@H]2C[N@H+](Cc3ccc(C)cc3)C[C@@H]2CN(Cc2ccccc2)C(=O)C2CCCC2)c1 ZINC000105041877 569851650 /nfs/dbraw/zinc/85/16/50/569851650.db2.gz YPZOZTHPMMIFSS-XLJNKUFUSA-N 1 0 496.695 6.438 50 0 JKAARO Cc1ccc(C[N@H+]2C[C@H](CN(CC(C)C)C(=O)c3ccccc3)[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000105042492 569851815 /nfs/dbraw/zinc/85/18/15/569851815.db2.gz AVIARBVOVMFWCM-XRKRLSELSA-N 1 0 458.621 6.148 50 0 JKAARO Cc1cc([C@@H]2C[C@@H](C(=O)N[C@H](C)c3ccccc3)C[N@@H+](Cc3ccccc3Cl)C2)ccc1F ZINC000105046646 569851895 /nfs/dbraw/zinc/85/18/95/569851895.db2.gz RXVYFVAAOOIJSL-NIJXNBFTSA-N 1 0 465.012 6.271 50 0 JKAARO Cc1ccc(C[N@H+]2C[C@@H](CN(CC(C)C)C(=O)c3ccccc3)[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000105042491 569851912 /nfs/dbraw/zinc/85/19/12/569851912.db2.gz AVIARBVOVMFWCM-LMSSTIIKSA-N 1 0 458.621 6.148 50 0 JKAARO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1[C@H](C)C(=O)N1CCN(C(=O)CCC2CCCC2)CC1 ZINC000105060707 569852674 /nfs/dbraw/zinc/85/26/74/569852674.db2.gz JUAZDCJVQRSAOU-DFHRPNOPSA-N 1 0 493.717 5.034 50 0 JKAARO CC[C@H](C)c1ccc([C@@H]([NH2+][C@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)C(C)C)cc1 ZINC000105552313 569853201 /nfs/dbraw/zinc/85/32/01/569853201.db2.gz KODSPKSHKBVYGU-DFIYOIEZSA-N 1 0 462.638 5.312 50 0 JKAARO Cc1cccc(C[N@H+](C[C@@H](Oc2ccc(F)c(F)c2)C(=O)Nc2ccccc2)C[C@@H]2CCCO2)c1 ZINC000106681484 569854491 /nfs/dbraw/zinc/85/44/91/569854491.db2.gz FKVFSQUXNBZVRO-RPLLCQBOSA-N 1 0 480.555 5.341 50 0 JKAARO Cc1ccc(-c2nc3ccc(-c4cccc(C(F)(F)F)c4)cn3c2CN2CC[NH2+]CC2)cc1 ZINC000107133685 569856210 /nfs/dbraw/zinc/85/62/10/569856210.db2.gz FMTAPOKQEXLXAV-UHFFFAOYSA-N 1 0 450.508 5.401 50 0 JKAARO C[C@H](NC(=O)[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+](Cc2ccccc2Cl)C1)c1ccccc1 ZINC000169677624 569868749 /nfs/dbraw/zinc/86/87/49/569868749.db2.gz OEISLAFLCLOQEP-WUMKDDEVSA-N 1 0 450.985 5.962 50 0 JKAARO C[C@H](NC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](C3CCCC3)C[C@@H]12)c1ccccc1 ZINC000169677761 569868877 /nfs/dbraw/zinc/86/88/77/569868877.db2.gz USZLTFXXAPXIGE-WYRQLCSISA-N 1 0 471.567 5.188 50 0 JKAARO O=C(NCCc1cccs1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](C3CCCCC3)C[C@@H]12 ZINC000169678042 569869118 /nfs/dbraw/zinc/86/91/18/569869118.db2.gz NKILUCCJUQDYIG-VWNXMTODSA-N 1 0 491.623 5.121 50 0 JKAARO O=C(Nc1ccccc1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](CCc3ccccc3)C[C@@H]12 ZINC000169678436 569869128 /nfs/dbraw/zinc/86/91/28/569869128.db2.gz WVMBOVLKZUQLQJ-RSXGOPAZSA-N 1 0 479.546 5.250 50 0 JKAARO CC[C@H](C)[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)C[C@@H](O)COC(C)(C)C ZINC000169678892 569869304 /nfs/dbraw/zinc/86/93/04/569869304.db2.gz ABALIXCKRIRJDL-XUZZJYLKSA-N 1 0 465.638 5.750 50 0 JKAARO CC[C@@H](C)[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@@H](O)c1ccccc1 ZINC000169678917 569869381 /nfs/dbraw/zinc/86/93/81/569869381.db2.gz YPELQNCDXLCPAD-AJTFRIOCSA-N 1 0 455.602 6.214 50 0 JKAARO CC[C@H](C)[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@@H](O)COC(C)(C)C ZINC000169678912 569869439 /nfs/dbraw/zinc/86/94/39/569869439.db2.gz IUTHTCQHVWIAND-JTHBVZDNSA-N 1 0 465.638 5.656 50 0 JKAARO CC[C@H](C)[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@@H](O)COC(C)(C)C ZINC000169679582 569869797 /nfs/dbraw/zinc/86/97/97/569869797.db2.gz CIPQFWXPVBYLNG-NZQKXSOJSA-N 1 0 483.628 5.889 50 0 JKAARO COc1cccc([C@H]2C[N@H+](Cc3cccc(C)c3)C[C@@H]2CN(CC(C)C)C(=O)c2ccc(F)cc2)c1 ZINC000169679823 569869906 /nfs/dbraw/zinc/86/99/06/569869906.db2.gz SLUROFLKXDYWOD-POURPWNDSA-N 1 0 488.647 6.157 50 0 JKAARO COc1ccc([C@H]2C[N@H+](Cc3ccc(C)s3)C[C@@H]2CN(Cc2ccc(F)cc2)C(C)=O)cc1 ZINC000169679787 569869910 /nfs/dbraw/zinc/86/99/10/569869910.db2.gz IPFPRJRUGNFKEG-YIXXDRMTSA-N 1 0 466.622 5.469 50 0 JKAARO CC[C@H](C)[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)C[C@@H](O)COC(C)(C)C ZINC000169680073 569870115 /nfs/dbraw/zinc/87/01/15/569870115.db2.gz AAEIISIJRWFLFD-JTHBVZDNSA-N 1 0 495.664 5.665 50 0 JKAARO Cc1ccc(C[N@@H+]2C[C@@H](CN(C(=O)c3ccc(F)cc3)C3CCCCC3)[C@@H](c3ccccc3C)C2)cc1 ZINC000169679960 569870151 /nfs/dbraw/zinc/87/01/51/569870151.db2.gz TWIKVPKHKQVTAE-IUDBTDONSA-N 1 0 498.686 7.133 50 0 JKAARO CCOC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)[C@@H](C)CC ZINC000169680339 569870398 /nfs/dbraw/zinc/87/03/98/569870398.db2.gz WTAKVRIEVMBHGD-XUZZJYLKSA-N 1 0 451.611 5.279 50 0 JKAARO Cc1ccc(OC[C@@H]2c3ccsc3CCN2C(=O)C[N@@H+](C[C@@H](O)c2ccccc2)C(C)C)cc1 ZINC000169680395 569870502 /nfs/dbraw/zinc/87/05/02/569870502.db2.gz FTHUOKLLJSABJL-CLJLJLNGSA-N 1 0 478.658 5.005 50 0 JKAARO CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CC[C@@H](c3ccccc3)[N@H+](Cc3cccc(Cl)c3)C2)C1 ZINC000169681540 569870719 /nfs/dbraw/zinc/87/07/19/569870719.db2.gz YJDWVSYNFLLGEO-OYRHQHFDSA-N 1 0 469.025 5.095 50 0 JKAARO CC[C@H](C)[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C[C@@H](O)COC(C)(C)C ZINC000169680964 569870726 /nfs/dbraw/zinc/87/07/26/569870726.db2.gz NSKUQSCGBBGNDV-XUZZJYLKSA-N 1 0 495.664 5.758 50 0 JKAARO Cc1c2occ(-c3ccccc3)c2cc2c(C)c(CC(=O)NC[C@H]3CCC[N@@H+]4CCCC[C@@H]34)c(=O)oc12 ZINC000170613439 569872904 /nfs/dbraw/zinc/87/29/04/569872904.db2.gz WPEHEVJHESFRGZ-AMGIVPHBSA-N 1 0 498.623 5.746 50 0 JKAARO NC(=O)[C@@H]1CC(C2=C3Sc4ccccc4N3CCC2)=C/C(=C2\CCC[n+]3c4ccccc4sc32)C1 ZINC000223492335 569913337 /nfs/dbraw/zinc/91/33/37/569913337.db2.gz HCYNJYBDTNATRH-UHFFFAOYSA-O 1 0 498.697 6.176 50 0 JKAARO COc1ccc([C@@H](CC(=O)c2ccc(Br)cc2)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000226758381 570038382 /nfs/dbraw/zinc/03/83/82/570038382.db2.gz SCMIJOJMKPHWJF-XMMPIXPASA-N 1 0 450.376 5.830 50 0 JKAARO Cc1ccc([C@H]2C[N@@H+](Cc3ccccc3F)C[C@H]2CN(C(=O)C(C)C)C2CCCCC2)cc1 ZINC000230168025 570046131 /nfs/dbraw/zinc/04/61/31/570046131.db2.gz AVONKSZNEYGOKI-AHKZPQOWSA-N 1 0 450.642 6.167 50 0 JKAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000239297244 570050245 /nfs/dbraw/zinc/05/02/45/570050245.db2.gz DUGZYNAJVLVDKS-ZJSXRUAMSA-N 1 0 454.599 5.357 50 0 JKAARO CCOCC1=C(c2ccccc2)[N@@H+](C2CCCCC2)C[C@H](C(=O)c2ccccc2)[C@H]1c1ccccc1 ZINC000239432774 570052091 /nfs/dbraw/zinc/05/20/91/570052091.db2.gz WJXGFINEXFJDLP-IGYGKHONSA-N 1 0 479.664 7.365 50 0 JKAARO CC[N@H+](CCOc1ccc([C@H]2CC[C@H](N(C)C(=O)c3ccc(Cl)cc3)CC2)cc1)C1CC1 ZINC000241126058 570053184 /nfs/dbraw/zinc/05/31/84/570053184.db2.gz JJDVOWQFDPXHMA-LSNLESRRSA-N 1 0 455.042 6.002 50 0 JKAARO O=C(CC[N@@H+]1Cc2ccccc2O[C@@H](c2ccccc2F)C1)N1CCCC[C@H]1c1cccnc1 ZINC000244873587 570054278 /nfs/dbraw/zinc/05/42/78/570054278.db2.gz WSNTXTHLXWKACR-AHKZPQOWSA-N 1 0 459.565 5.300 50 0 JKAARO C[C@@H]1CCCC[N@@H+]1CCN1C(=O)c2ccc(-c3ccco3)n2C[C@]1(C)C(=O)NC1CCCCCCC1 ZINC000245228617 570055747 /nfs/dbraw/zinc/05/57/47/570055747.db2.gz ZPRQUIUBDZFRCD-KPURRNSFSA-N 1 0 494.680 5.066 50 0 JKAARO COc1ccc(-c2cc3ccccc3n2C[C@H](O)C[N@H+](Cc2ccccc2)[C@H]2CCCC[C@@H]2O)cc1 ZINC000245228702 570055805 /nfs/dbraw/zinc/05/58/05/570055805.db2.gz CPUSEDMZFOPLDE-ZVAUBVARSA-N 1 0 484.640 5.484 50 0 JKAARO CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC[C@H](O)C[N@@H+]3CCCC[C@H]3C)cc21 ZINC000245238390 570057515 /nfs/dbraw/zinc/05/75/15/570057515.db2.gz MTJUAQXHZQBOCH-NFBKMPQASA-N 1 0 464.606 5.038 50 0 JKAARO Fc1ccc(C2=NN3[C@H](C2)c2ccccc2OC32CC[NH+]([C@H]3CCCc4ccccc43)CC2)cc1 ZINC000245257431 570060638 /nfs/dbraw/zinc/06/06/38/570060638.db2.gz ZNNLMDBDJVWTJJ-WUFINQPMSA-N 1 0 467.588 6.239 50 0 JKAARO COc1ccccc1[C@H]1C[N@H+](Cc2cccc(C)n2)C[C@H]1CN(CC(C)C)C(=O)c1ccccc1 ZINC000245279553 570061581 /nfs/dbraw/zinc/06/15/81/570061581.db2.gz HYBPGDRJOJZFDT-LSYYVWMOSA-N 1 0 471.645 5.413 50 0 JKAARO Cn1nc(-c2ccccc2)c(C[N@H+](C[C@@H](O)COC(C)(C)C)C[C@H]2CCCO2)c1Oc1ccccc1 ZINC000245281236 570062043 /nfs/dbraw/zinc/06/20/43/570062043.db2.gz WMNYBFHKXSIINF-ILBGXUMGSA-N 1 0 493.648 5.036 50 0 JKAARO CCCCOC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@H]1CCCO1 ZINC000245281371 570062358 /nfs/dbraw/zinc/06/23/58/570062358.db2.gz XVVNDFYJXMSHCX-AZGAKELHSA-N 1 0 493.648 5.038 50 0 JKAARO CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@H]2[C@H]2c3ccccc3C=CN12 ZINC000245309741 570062956 /nfs/dbraw/zinc/06/29/56/570062956.db2.gz FVNNIZBJYDGJKY-NCYKPQTJSA-N 1 0 469.368 5.124 50 0 JKAARO CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@H]2[C@@H]2c3ccccc3C=CN21 ZINC000245309769 570063054 /nfs/dbraw/zinc/06/30/54/570063054.db2.gz GEQAKVQGBSMXMJ-CGXNFDGLSA-N 1 0 469.368 5.124 50 0 JKAARO C[C@@H](C(=O)NCCC[NH+]1[C@H](C)CCC[C@H]1C)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000245311037 570063411 /nfs/dbraw/zinc/06/34/11/570063411.db2.gz LSIWKYXVFVLBMW-AQNXPRMDSA-N 1 0 453.030 5.687 50 0 JKAARO CC(C)CN(C[C@@H]1C[N@H+](Cc2ccccc2C(F)(F)F)C[C@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000245327082 570065110 /nfs/dbraw/zinc/06/51/10/570065110.db2.gz IRGAHQCHJJNPON-UPVQGACJSA-N 1 0 478.574 6.201 50 0 JKAARO CCCC[C@@H](CC)C(=O)N1CCCN(C(=O)CN2CCc3sccc3[C@H]2c2cccc(F)c2)CC1 ZINC000245327048 570065162 /nfs/dbraw/zinc/06/51/62/570065162.db2.gz IAXOWSNOGCMTFE-JIPXPUAJSA-N 1 0 499.696 5.112 50 0 JKAARO COc1ccc([C@@H]2C[N@H+](CC3CCCCC3)C[C@H]2CN(Cc2ccc(F)cc2)C(C)=O)cc1 ZINC000245327478 570065295 /nfs/dbraw/zinc/06/52/95/570065295.db2.gz JMSPBKSCFFBBSE-LSYYVWMOSA-N 1 0 452.614 5.479 50 0 JKAARO Cc1ccc([C@@H]2C[N@@H+](Cc3cc(C)ccc3F)C[C@H]2CN(C(=O)C(C)C)C2CCCCC2)cc1 ZINC000245329581 570066322 /nfs/dbraw/zinc/06/63/22/570066322.db2.gz SVELAAHXTNADKY-XCZPVHLTSA-N 1 0 464.669 6.475 50 0 JKAARO Cc1ccccc1[C@@H]1C[N@H+](Cc2ccco2)C[C@H]1CN(C(=O)c1ccc(F)cc1)C1CCCCC1 ZINC000245343771 570067458 /nfs/dbraw/zinc/06/74/58/570067458.db2.gz ZMFQLTWWTZAALK-PWUYWRBVSA-N 1 0 474.620 6.418 50 0 JKAARO O=C(c1ccco1)[C@@H]1C(=C(O)c2ccccc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2c3ccccc3C=CN12 ZINC000247854523 570070072 /nfs/dbraw/zinc/07/00/72/570070072.db2.gz KBFHZQXKOZZMLG-VRNNKUELSA-N 1 0 486.527 5.261 50 0 JKAARO COc1cccc([C@H]2C[N@H+](Cc3cc(C)ccc3F)C[C@H]2CN(CC(C)C)C(=O)C(C)C)c1 ZINC000247899542 570070838 /nfs/dbraw/zinc/07/08/38/570070838.db2.gz ICPDNOKXHIAZRS-AZGAKELHSA-N 1 0 454.630 5.499 50 0 JKAARO COc1cccc(C[N@@H+]2C[C@@H](C(=O)NCc3cccc(C(F)(F)F)c3)CC[C@H]2c2ccccc2)c1 ZINC000247901083 570071014 /nfs/dbraw/zinc/07/10/14/570071014.db2.gz QRDBQBIDDYPYCH-OZXSUGGESA-N 1 0 482.546 5.984 50 0 JKAARO CC(C)N(C[C@H]1C[N@H+](Cc2ccc[nH]2)C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000247983569 570072141 /nfs/dbraw/zinc/07/21/41/570072141.db2.gz HZJOIVXYOQBGFO-BWKNWUBXSA-N 1 0 487.541 5.939 50 0 JKAARO Cc1ccccc1[C@H]1C[N@H+](CC(C)C)C[C@H]1CN(C(=O)c1ccc(F)cc1)C1CCCCC1 ZINC000248052184 570073227 /nfs/dbraw/zinc/07/32/27/570073227.db2.gz ATZRTULJNSMZSL-CUBQBAPOSA-N 1 0 450.642 6.281 50 0 JKAARO Cc1ccc([C@@H]2C[N@@H+](Cc3ccccc3F)C[C@H]2CN(C(=O)C(C)C)C2CCCCC2)cc1 ZINC000248052277 570073312 /nfs/dbraw/zinc/07/33/12/570073312.db2.gz AVONKSZNEYGOKI-BDYUSTAISA-N 1 0 450.642 6.167 50 0 JKAARO CCc1cccc2c([C@@H](CC(=O)NCCC[N@@H+]3CCCC[C@H]3C)c3ccc(OC)c(OC)c3)c[nH]c21 ZINC000248070562 570073332 /nfs/dbraw/zinc/07/33/32/570073332.db2.gz GCVLDSBKQNGWON-BWKNWUBXSA-N 1 0 491.676 5.650 50 0 JKAARO CC(=O)N(Cc1ccc(F)cc1)C[C@@H]1C[N@H+](Cc2sccc2C)C[C@H]1c1ccc(C)cc1 ZINC000248063807 570073419 /nfs/dbraw/zinc/07/34/19/570073419.db2.gz FARGFZFAMCIMCX-AHWVRZQESA-N 1 0 450.623 5.768 50 0 JKAARO COc1ccccc1[C@H]1C[N@H+](Cc2ccc(C)s2)C[C@H]1CN(CC(C)C)C(=O)c1ccccc1 ZINC000248109983 570074163 /nfs/dbraw/zinc/07/41/63/570074163.db2.gz QNMGOQHXBZGOJY-IGKIAQTJSA-N 1 0 476.686 6.079 50 0 JKAARO CCCC[C@H](CC)C(=O)N1CCN(C(=O)CN2CCc3sccc3[C@H]2c2ccc(C)cc2)C[C@@H]1C ZINC000248111531 570074167 /nfs/dbraw/zinc/07/41/67/570074167.db2.gz SNTWMDCMYSZVNZ-UXWDXCIHSA-N 1 0 495.733 5.280 50 0 JKAARO COc1ccccc1[C@H]1C[N@H+](Cc2ccc(C)o2)C[C@H]1CN(Cc1ccccc1)C(=O)C(C)C ZINC000248120084 570074512 /nfs/dbraw/zinc/07/45/12/570074512.db2.gz UUULAZICRIRMQA-IGKIAQTJSA-N 1 0 460.618 5.497 50 0 JKAARO CC(C)CN(C[C@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2)C[C@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000248182891 570075952 /nfs/dbraw/zinc/07/59/52/570075952.db2.gz ZPIVUCUQUYZFHQ-RDGATRHJSA-N 1 0 478.574 6.201 50 0 JKAARO CC(C)CN(C[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2)C[C@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000248182888 570075995 /nfs/dbraw/zinc/07/59/95/570075995.db2.gz ZPIVUCUQUYZFHQ-DHLKQENFSA-N 1 0 478.574 6.201 50 0 JKAARO COc1cccc([C@@H]2C[N@H+](Cc3cccc(C(F)(F)F)c3)C[C@H]2CN(CC(C)C)C(=O)C(C)C)c1 ZINC000248178314 570076008 /nfs/dbraw/zinc/07/60/08/570076008.db2.gz BTIYYAQGWGXZCH-OZXSUGGESA-N 1 0 490.610 6.070 50 0 JKAARO COc1cccc([C@@H]2C[N@H+](Cc3ccsc3)C[C@H]2CN(CC(C)C)C(=O)c2ccc(F)cc2)c1 ZINC000248214694 570076307 /nfs/dbraw/zinc/07/63/07/570076307.db2.gz FTUPNUGTVZLNJF-IGKIAQTJSA-N 1 0 480.649 5.910 50 0 JKAARO COc1cccc([C@@H]2C[N@H+](Cc3ccccc3F)C[C@H]2CN(CC(C)C)C(=O)c2ccc(F)cc2)c1 ZINC000248242136 570076635 /nfs/dbraw/zinc/07/66/35/570076635.db2.gz OYTMRPUISWKNIR-LSYYVWMOSA-N 1 0 492.610 5.987 50 0 JKAARO COc1ccc([C@H]2C[N@H+](Cc3ccc(C)o3)C[C@H]2CN(Cc2ccc(F)cc2)C(C)=O)cc1 ZINC000248246624 570076737 /nfs/dbraw/zinc/07/67/37/570076737.db2.gz MNDZOCBWUMLPHZ-WNCULLNHSA-N 1 0 450.554 5.000 50 0 JKAARO COc1ccccc1[C@@H]1C[N@H+](Cc2ccc(F)c(F)c2)C[C@H]1CN(CC(C)C)C(=O)C(C)C ZINC000248264352 570077129 /nfs/dbraw/zinc/07/71/29/570077129.db2.gz YDVAVRUXNFOTJQ-JTHBVZDNSA-N 1 0 458.593 5.330 50 0 JKAARO Cc1ccsc1C[N@H+]1C[C@@H](CN(CC(C)C)C(=O)c2ccc(C)cc2)[C@H](c2ccccc2)C1 ZINC000248266580 570077281 /nfs/dbraw/zinc/07/72/81/570077281.db2.gz YAWPBOODTDOMLO-SVBPBHIXSA-N 1 0 460.687 6.379 50 0 JKAARO COc1ccccc1-c1nn(CN2CC[C@@H]3CCCC[C@H]3C2)c(=S)n1-c1ccc(Cl)cc1 ZINC000252445414 570080917 /nfs/dbraw/zinc/08/09/17/570080917.db2.gz RYGPSBWTFCLKHW-OALUTQOASA-N 1 0 469.054 6.202 50 0 JKAARO CC(=O)[C@@H]1[C@H](C)C[C@@H]2[C@H]3CC=C4C[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 ZINC000252461225 570081328 /nfs/dbraw/zinc/08/13/28/570081328.db2.gz LLKWFOGYGSHBRH-ORCXBCBESA-N 1 0 497.764 6.680 50 0 biogenic JKAARO C[NH2+]C(c1ccccc1)(c1ccccc1)c1ccccc1N(C)C(=O)c1cc2c(c(OC)c1)OCO2 ZINC000252496066 570082118 /nfs/dbraw/zinc/08/21/18/570082118.db2.gz PENZAJRSFJDCRR-UHFFFAOYSA-N 1 0 480.564 5.212 50 0 JKAARO CC1(C)CC(N2CC(=O)C(c3nc(-c4ccc(Br)cc4)cs3)=C2N)CC(C)(C)[NH2+]1 ZINC000252536819 570083260 /nfs/dbraw/zinc/08/32/60/570083260.db2.gz JQBRUXZUWAEDPJ-UHFFFAOYSA-N 1 0 475.456 5.444 50 0 JKAARO CCC[C@H](O)C[N@H+](CCC)CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C(C)C)cc1 ZINC000253389760 570095591 /nfs/dbraw/zinc/09/55/91/570095591.db2.gz JTWZXYGGMYKXJE-WIOPSUGQSA-N 1 0 472.695 5.249 50 0 JKAARO COc1ccc([C@H]2C[N@H+](Cc3sccc3C)C[C@H]2CN(Cc2ccc(F)cc2)C(C)=O)cc1 ZINC000253389750 570095635 /nfs/dbraw/zinc/09/56/35/570095635.db2.gz LOGADMRGBBEGNZ-JYFHCDHNSA-N 1 0 466.622 5.469 50 0 JKAARO CC(=O)[C@@H]1[C@H](C)C[C@@H]2[C@@H]3CC=C4C[C@H](OC(=O)CC[NH+]5CCCCC5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000253504334 570102673 /nfs/dbraw/zinc/10/26/73/570102673.db2.gz ZMZSWQGXOQDHQU-QSOWTKJTSA-N 1 0 469.710 6.188 50 0 biogenic JKAARO CC(=O)[C@@]1(O)[C@H](C)C[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CC[NH+]5CCCCC5)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000253532695 570103201 /nfs/dbraw/zinc/10/32/01/570103201.db2.gz YFNPVWRSYRXVRN-HVZCNXNWSA-N 1 0 485.709 5.303 50 0 JKAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)C(C)(C)Oc1ccc([C@@H]2CC2(Cl)Cl)cc1 ZINC000263585391 570171047 /nfs/dbraw/zinc/17/10/47/570171047.db2.gz IBRXKDKGUCRTJW-ACIOBRDBSA-N 1 0 497.507 5.245 50 0 biogenic JKAARO O=C(c1ccccn1)N1CCC[C@@H](COc2ccc(C[NH+]3CCC(c4ccccc4)CC3)cc2)C1 ZINC000299762448 570174801 /nfs/dbraw/zinc/17/48/01/570174801.db2.gz WTGQCSARHXDTPL-RUZDIDTESA-N 1 0 469.629 5.392 50 0 JKAARO C[C@H](NC(=O)c1ccc(N2CCC([NH2+]CCc3c[nH]c4ccccc34)CC2)cc1)c1ccccc1 ZINC000299769353 570175612 /nfs/dbraw/zinc/17/56/12/570175612.db2.gz MKYIBIRVMKHXDT-QFIPXVFZSA-N 1 0 466.629 5.460 50 0 JKAARO COc1ccc2[nH]cc(CC[n+]3c(-c4ccccc4)cc(-c4ccccc4)cc3-c3ccccc3)c2c1 ZINC000001771512 194136809 /nfs/dbraw/zinc/13/68/09/194136809.db2.gz GANOMQBWGILHMS-UHFFFAOYSA-N 1 0 481.619 7.708 50 0 JKAARO [NH3+]CCCNc1nc(F)c(Cl)c(N2c3ccccc3Sc3ccc(Cl)cc32)c1F ZINC000001833530 194148528 /nfs/dbraw/zinc/14/85/28/194148528.db2.gz SAXVKHXMRWIKKL-UHFFFAOYSA-N 1 0 453.345 6.362 50 0 JKAARO CSc1cccc(NC(=O)C2CC[NH+](Cc3cnn(-c4ccccc4)c3-n3cccc3)CC2)c1 ZINC000002960460 194181282 /nfs/dbraw/zinc/18/12/82/194181282.db2.gz AQRJTZDFWMTSNN-UHFFFAOYSA-N 1 0 471.630 5.236 50 0 JKAARO Cc1cccc(C)c1NC(=O)C1CC[NH+](Cc2cnn(-c3ccccc3)c2-n2cccc2)CC1 ZINC000002960426 194181355 /nfs/dbraw/zinc/18/13/55/194181355.db2.gz ZYJLKTMWTHTWRW-UHFFFAOYSA-N 1 0 453.590 5.131 50 0 JKAARO CC[NH+](CC)CCn1c(SCC(=O)NCCC2=CCCCC2)nc2c3ccccc3sc2c1=O ZINC000002961781 194182033 /nfs/dbraw/zinc/18/20/33/194182033.db2.gz WLMYIZSIEBOUQV-UHFFFAOYSA-N 1 0 498.718 5.052 50 0 JKAARO Cc1nnc(Sc2cc(C(=O)NCC[N@H+](Cc3ccccc3)C(C)C)c3ccccc3n2)s1 ZINC000003027424 194211648 /nfs/dbraw/zinc/21/16/48/194211648.db2.gz RDAGTJZEAJYENA-UHFFFAOYSA-N 1 0 477.659 5.186 50 0 JKAARO CCn1cc(CN(CCC[NH+](CC)CC)C(=S)Nc2ccc(C)c(C)c2)c2ccccc21 ZINC000003029527 194212424 /nfs/dbraw/zinc/21/24/24/194212424.db2.gz BZAHQKFNHREQMM-UHFFFAOYSA-N 1 0 450.696 6.209 50 0 JKAARO CCn1cc(CN(CCC[NH+](CC)CC)C(=S)Nc2cccc(Cl)c2C)c2ccccc21 ZINC000003029370 194212441 /nfs/dbraw/zinc/21/24/41/194212441.db2.gz SENSEQJPYMBKOK-UHFFFAOYSA-N 1 0 471.114 6.554 50 0 JKAARO CCC[NH+](CCC)CCCNC(=O)c1cc(Sc2ccc(Cl)cc2)nc2ccccc21 ZINC000003039999 194214986 /nfs/dbraw/zinc/21/49/86/194214986.db2.gz YCIZOCHNKPTYPM-UHFFFAOYSA-N 1 0 456.055 6.281 50 0 JKAARO CCOc1ccc(-c2nc3ccc(C(=O)NCC[NH+](C)C)cc3nc2-c2ccc(OCC)cc2)cc1 ZINC000003040431 194215184 /nfs/dbraw/zinc/21/51/84/194215184.db2.gz OTBHYIAUHLDFIJ-UHFFFAOYSA-N 1 0 484.600 5.053 50 0 JKAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1S2 ZINC000003054451 194220094 /nfs/dbraw/zinc/22/00/94/194220094.db2.gz OZNNBFWRHMWTFO-OAQYLSRUSA-N 1 0 489.616 5.351 50 0 JKAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2c(c1)N(Cc1cccc(F)c1)C(=O)c1ccccc1S2 ZINC000003056340 194221025 /nfs/dbraw/zinc/22/10/25/194221025.db2.gz HJHHRLIJLGIZMN-JOCHJYFZSA-N 1 0 489.616 5.351 50 0 JKAARO Cc1ccc(/C=C2\Sc3ccccc3N(CC(=O)NCC[N@H+](Cc3ccccc3)C(C)C)C2=O)cc1 ZINC000003046675 194216817 /nfs/dbraw/zinc/21/68/17/194216817.db2.gz IQPFBLGPBLYTTJ-USHMODERSA-N 1 0 499.680 5.502 50 0 JKAARO CC[NH+](CC)CCNC(=O)c1ccc2c(c1)N(Cc1cc(C)ccc1C)C(=O)c1ccccc1S2 ZINC000003047426 194217067 /nfs/dbraw/zinc/21/70/67/194217067.db2.gz CQOYNEWKAHJWMD-UHFFFAOYSA-N 1 0 487.669 5.687 50 0 JKAARO CC[NH+](CC)CCNC(=O)c1cc(Sc2nc3cc(Cl)ccc3s2)nc2ccccc21 ZINC000003226964 194244422 /nfs/dbraw/zinc/24/44/22/194244422.db2.gz BJVDZCDCFSPJLD-UHFFFAOYSA-N 1 0 471.051 5.721 50 0 JKAARO Cc1nn(-c2ccccc2)c2sc(C(=O)N[C@H](C)[C@@H](c3cccs3)[NH+]3CCCC3)cc12 ZINC000003265064 194256291 /nfs/dbraw/zinc/25/62/91/194256291.db2.gz FHVVRMVZRQSQTH-VGSWGCGISA-N 1 0 450.633 5.412 50 0 JKAARO Cc1nn(-c2ccccc2)c2sc(C(=O)N[C@@H](C)[C@H](c3cccs3)[NH+]3CCCC3)cc12 ZINC000003265065 194256302 /nfs/dbraw/zinc/25/63/02/194256302.db2.gz FHVVRMVZRQSQTH-HTAPYJJXSA-N 1 0 450.633 5.412 50 0 JKAARO Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)N[C@H](C)[C@H](c3cccs3)[NH+]3CCCC3)cc12 ZINC000003265094 194256305 /nfs/dbraw/zinc/25/63/05/194256305.db2.gz MOBKIYYHKOUDGL-OPAMFIHVSA-N 1 0 485.078 6.066 50 0 JKAARO Cc1nn(-c2ccccc2)c2sc(C(=O)N[C@H](C)[C@H](c3cccs3)[NH+]3CCCC3)cc12 ZINC000003265066 194256232 /nfs/dbraw/zinc/25/62/32/194256232.db2.gz FHVVRMVZRQSQTH-VGOFRKELSA-N 1 0 450.633 5.412 50 0 JKAARO CCOC(=O)c1c(NC(=O)[C@@H]([NH2+]C2CCCCC2)c2ccccc2)sc2c1CC[C@H](C)C2 ZINC000003342452 194291236 /nfs/dbraw/zinc/29/12/36/194291236.db2.gz ITQYRERCWZDIJZ-SBUREZEXSA-N 1 0 454.636 5.652 50 0 JKAARO O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)c1cc(I)ccc1Cl ZINC000003363419 194301737 /nfs/dbraw/zinc/30/17/37/194301737.db2.gz SLEONJGFPMNTAH-UHFFFAOYSA-N 1 0 454.739 5.183 50 0 JKAARO Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)Nc3ccccc3C[N@@H+](C)C3CCCCC3)cc12 ZINC000003384165 194310115 /nfs/dbraw/zinc/31/01/15/194310115.db2.gz IMEINCKLJSWEHC-UHFFFAOYSA-N 1 0 493.076 7.066 50 0 JKAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(/C=C2/Oc3ccccc3N(Cc3ccc(C)cc3)C2=O)cc1 ZINC000003586611 194339710 /nfs/dbraw/zinc/33/97/10/194339710.db2.gz QUOGUIFMBKIKFE-QICHVEDASA-N 1 0 495.623 5.176 50 0 JKAARO O=C(NCC[NH+]1CCCCCC1)c1ccc2c(c1)NC(=O)/C(=C\c1cccc(Cl)c1)S2 ZINC000003589278 194339777 /nfs/dbraw/zinc/33/97/77/194339777.db2.gz MIOPLAWIQBEEON-PXLXIMEGSA-N 1 0 456.011 5.031 50 0 JKAARO COc1cc(Cl)c(C)cc1NC(=S)N(CCC[N@@H+]1CCC[C@H](C)C1)Cc1cccs1 ZINC000003665676 194356639 /nfs/dbraw/zinc/35/66/39/194356639.db2.gz SKYWJDGBNLQASA-KRWDZBQOSA-N 1 0 466.116 6.040 50 0 JKAARO COc1ccccc1Nc1c2cc(NC(=O)/C=C/c3ccc(F)cc3)ccc2[nH+]c2c1CCCC2 ZINC000003646148 194348659 /nfs/dbraw/zinc/34/86/59/194348659.db2.gz GWLOJCQGXNQMFK-SFQUDFHCSA-N 1 0 467.544 6.657 50 0 JKAARO CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC[C@H](O)C[NH2+][C@@H](C)c3ccccc3)cc21 ZINC000003655847 194352927 /nfs/dbraw/zinc/35/29/27/194352927.db2.gz MUURBTVDBPJICR-SQJMNOBHSA-N 1 0 486.612 5.515 50 0 JKAARO CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC[C@@H](O)C[NH2+][C@H](C)c3ccccc3)cc21 ZINC000003655850 194352998 /nfs/dbraw/zinc/35/29/98/194352998.db2.gz MUURBTVDBPJICR-BWKNWUBXSA-N 1 0 486.612 5.515 50 0 JKAARO CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC[C@@H](O)C[NH2+][C@@H](C)c3ccccc3)cc21 ZINC000003655848 194353026 /nfs/dbraw/zinc/35/30/26/194353026.db2.gz MUURBTVDBPJICR-OFVILXPXSA-N 1 0 486.612 5.515 50 0 JKAARO CC(C)(C)c1ccc([C@H](O)CCC[NH+]2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000003831511 194362135 /nfs/dbraw/zinc/36/21/35/194362135.db2.gz GUGOEEXESWIERI-SSEXGKCCSA-N 1 0 471.685 6.446 50 0 world JKAARO CC(C)[NH+](CCN1C(=O)CS[C@H]1c1cccc(Oc2cccc(C(F)(F)F)c2)c1)C(C)C ZINC000003990514 194368031 /nfs/dbraw/zinc/36/80/31/194368031.db2.gz XWLLOXGQVBTCRV-QHCPKHFHSA-N 1 0 466.569 6.191 50 0 JKAARO Cc1c(-c2ccc(O)cc2)nn(-c2ccc(O)cc2)c1-c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000003996033 194368379 /nfs/dbraw/zinc/36/83/79/194368379.db2.gz TXLGPGWHIIHRHH-UHFFFAOYSA-N 1 0 469.585 5.791 50 0 in-vitro JKAARO Cc1ccc(S(=O)(=O)N2CCc3c4ccccc4[nH]c3C23CC[NH+](Cc2ccccc2)CC3)cc1 ZINC000004489334 194391254 /nfs/dbraw/zinc/39/12/54/194391254.db2.gz ACSOLLCGWHQVFF-UHFFFAOYSA-N 1 0 485.653 5.215 50 0 JKAARO O=C(Nc1ccccc1C(F)(F)F)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000008666917 194473643 /nfs/dbraw/zinc/47/36/43/194473643.db2.gz REIDSGGUBCJVQW-UHFFFAOYSA-N 1 0 452.520 6.412 50 0 JKAARO CC[NH+](CC)CCCNc1ncnc2c1sc1nc(-c3ccco3)c3c(c12)CC(C)(C)OC3 ZINC000009158300 194575043 /nfs/dbraw/zinc/57/50/43/194575043.db2.gz MVNZRULIKAWAQN-UHFFFAOYSA-N 1 0 465.623 5.495 50 0 JKAARO COc1ccc2c(c1)[nH]c(C(=O)NCCC[N@@H+]1CCCC[C@@H]1C)c2Sc1ccc(Cl)cc1 ZINC000009288625 194664223 /nfs/dbraw/zinc/66/42/23/194664223.db2.gz MKNQLXTUSIZWBE-KRWDZBQOSA-N 1 0 472.054 5.975 50 0 JKAARO C[C@@H]1CCC[C@@H](C)[NH+]1CCCNC(=O)c1ccc2c(c1)sc1nc(-c3ccc(F)cc3)cn21 ZINC000009406588 194747232 /nfs/dbraw/zinc/74/72/32/194747232.db2.gz NRSZQZBDFKMGGZ-QZTJIDSGSA-N 1 0 464.610 5.738 50 0 JKAARO CCC1=Nc2cc(C(=O)NCCC[NH+](CC(C)C)CC(C)C)ccc2Sc2ccccc21 ZINC000009607893 194809901 /nfs/dbraw/zinc/80/99/01/194809901.db2.gz BDJGIPQVDZSNES-UHFFFAOYSA-N 1 0 451.680 6.416 50 0 JKAARO CSc1ccc(CC[NH2+]C[C@H]2[C@@H](Oc3ccc(Cl)cc3)C(=O)N2c2ccccc2C)cc1 ZINC000009835471 194986663 /nfs/dbraw/zinc/98/66/63/194986663.db2.gz VRNTYKKUYIZYCO-LOSJGSFVSA-N 1 0 467.034 5.365 50 0 JKAARO CCCn1c(C[NH+]2CCCCCC2)nc2cc(NC(=O)COc3ccccc3Cl)ccc21 ZINC000009942505 195030202 /nfs/dbraw/zinc/03/02/02/195030202.db2.gz NVULFLSEPUIEJG-UHFFFAOYSA-N 1 0 455.002 5.493 50 0 JKAARO Cc1ccc(CN2CCSc3ccc(C(=O)NCCC[NH+]4C[C@@H](C)C[C@H](C)C4)cc32)cc1 ZINC000009962540 195039724 /nfs/dbraw/zinc/03/97/24/195039724.db2.gz CJASFYMDBOXPNL-VXKWHMMOSA-N 1 0 451.680 5.205 50 0 JKAARO CC(C)C[NH+](CC(C)C)C[C@@H](O)CN(c1ccccc1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000009968839 195041656 /nfs/dbraw/zinc/04/16/56/195041656.db2.gz FOJPZCWYJLWHLP-AREMUKBSSA-N 1 0 468.663 5.010 50 0 JKAARO Cc1c(NC(=O)[C@@H](C)[NH2+][C@H](CCCc2ccccc2)c2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000012667809 195081765 /nfs/dbraw/zinc/08/17/65/195081765.db2.gz HFKSPCKNAULQJS-AJTFRIOCSA-N 1 0 482.628 5.165 50 0 JKAARO COc1cccc([C@H](CNc2nc(CN3CCC(C)CC3)nc3sc4c(c32)CCC4)[NH+](C)C)c1 ZINC000012690000 195087925 /nfs/dbraw/zinc/08/79/25/195087925.db2.gz VMGJYUVBOXYHOS-QFIPXVFZSA-N 1 0 479.694 5.135 50 0 JKAARO O=C(Nc1ccnn1C1CC[NH+](Cc2ccc([C@H]3CCCCO3)s2)CC1)c1ccccc1 ZINC000012705417 195092767 /nfs/dbraw/zinc/09/27/67/195092767.db2.gz YVYPEQACUBDWAA-JOCHJYFZSA-N 1 0 450.608 5.276 50 0 JKAARO O=C(Cc1ccccc1)Nc1ccnn1C1CC[NH+](Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000012718448 195097323 /nfs/dbraw/zinc/09/73/23/195097323.db2.gz UIQYFMAVMPMMSM-UHFFFAOYSA-N 1 0 450.586 5.568 50 0 JKAARO COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000012747280 195103204 /nfs/dbraw/zinc/10/32/04/195103204.db2.gz RIWBIQXCTFHXDY-SANMLTNESA-N 1 0 496.611 5.123 50 0 JKAARO COc1ccc([C@@H](CNC(=O)c2sc3nc(-c4ccco4)nc(C)c3c2C)[NH+]2CCCC2)cc1 ZINC000012766571 195114155 /nfs/dbraw/zinc/11/41/55/195114155.db2.gz GOTSRRURDJYPOW-HXUWFJFHSA-N 1 0 476.602 5.144 50 0 JKAARO CC[NH+](CC)CCCn1c(=O)c2ccccc2nc1S[C@@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000012774187 195119558 /nfs/dbraw/zinc/11/95/58/195119558.db2.gz IZLGGPTVJQQJTJ-INIZCTEOSA-N 1 0 491.032 5.040 50 0 JKAARO CC[NH+](CC)CCCn1c(=O)c2ccccc2nc1S[C@@H](C)C(=O)Nc1ccc(Cl)cc1F ZINC000012777051 195121758 /nfs/dbraw/zinc/12/17/58/195121758.db2.gz NLKZJYUPLLJQMR-INIZCTEOSA-N 1 0 491.032 5.040 50 0 JKAARO O=C(CSc1ncnc2scc(-c3ccccc3)c21)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000012779055 195122968 /nfs/dbraw/zinc/12/29/68/195122968.db2.gz QROVCHSDMSBXTP-UHFFFAOYSA-N 1 0 474.655 5.231 50 0 JKAARO Cc1cc(C)c(NC(=O)[C@@H](C)Sc2nc3ccccc3c(=O)n2CC[NH+](C(C)C)C(C)C)c(C)c1 ZINC000012779429 195123499 /nfs/dbraw/zinc/12/34/99/195123499.db2.gz JONKYKJPCIUKMM-JOCHJYFZSA-N 1 0 494.705 5.560 50 0 JKAARO COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000012885852 195170512 /nfs/dbraw/zinc/17/05/12/195170512.db2.gz GFMPAQPOMNOIJD-UHFFFAOYSA-N 1 0 467.613 5.557 50 0 JKAARO CCn1cc(CN(CCC[NH+](CC)CC)C(=S)Nc2cccc(C(F)(F)F)c2)c2ccccc21 ZINC000020676396 195200658 /nfs/dbraw/zinc/20/06/58/195200658.db2.gz PPTQRSOGGHPDHI-UHFFFAOYSA-N 1 0 490.639 6.611 50 0 JKAARO CCn1cc(CN(CCC[NH+](CC)CC)C(=S)Nc2cccc(OC)c2)c2ccccc21 ZINC000020676666 195201447 /nfs/dbraw/zinc/20/14/47/195201447.db2.gz QNAQDYHZZWMXDL-UHFFFAOYSA-N 1 0 452.668 5.601 50 0 JKAARO CCCC[N@H+](CC)CCCNC(=O)c1cc(-c2ccc(OC)cc2)nc2ccc(C(C)C)cc21 ZINC000020683101 195204346 /nfs/dbraw/zinc/20/43/46/195204346.db2.gz OPEAUDZGEXZYGR-UHFFFAOYSA-N 1 0 461.650 6.276 50 0 JKAARO Cc1ccc(C[NH+]2CCC(CNC(=O)c3cc(-c4ccc(C)c(C)c4)nc4ccccc43)CC2)cc1 ZINC000020682730 195204562 /nfs/dbraw/zinc/20/45/62/195204562.db2.gz QJPKVMKNORIZTM-UHFFFAOYSA-N 1 0 477.652 6.469 50 0 JKAARO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1cc(Sc2ccc(F)cc2F)nc2ccccc21 ZINC000020723549 195207060 /nfs/dbraw/zinc/20/70/60/195207060.db2.gz GWAOPSUFXJVBMM-IRXDYDNUSA-N 1 0 455.574 5.657 50 0 JKAARO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1cc(Sc2ccc(F)cc2F)nc2ccccc21 ZINC000020723542 195207067 /nfs/dbraw/zinc/20/70/67/195207067.db2.gz GWAOPSUFXJVBMM-CALCHBBNSA-N 1 0 455.574 5.657 50 0 JKAARO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2ccc3c(c2)NC(=O)/C(=C\c2ccccc2Cl)S3)C1 ZINC000020735104 195212357 /nfs/dbraw/zinc/21/23/57/195212357.db2.gz MMAZGKGRPUFQTE-LUZZDJJGSA-N 1 0 484.065 5.523 50 0 JKAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1ccccc1Cl)S2 ZINC000020735112 195212437 /nfs/dbraw/zinc/21/24/37/195212437.db2.gz SCGQAEBQQWHFEY-QFNCUCFLSA-N 1 0 456.011 5.030 50 0 JKAARO Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](c2ccc(Br)cc2)[N@H+]2Cc4ccccc4C[C@@H]32)cc1 ZINC000020665302 195198379 /nfs/dbraw/zinc/19/83/79/195198379.db2.gz IHCCNYSQNVISOB-OJJQZRKESA-N 1 0 487.397 5.045 50 0 JKAARO Cc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@H](O)C[NH2+]CCc1ccccc1 ZINC000020806227 195228688 /nfs/dbraw/zinc/22/86/88/195228688.db2.gz UYDZUIFXHKWQKW-MUUNZHRXSA-N 1 0 460.621 6.477 50 0 JKAARO Clc1ccc(-c2nc3ccccc3c(N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)n2)cc1 ZINC000020828458 195229728 /nfs/dbraw/zinc/22/97/28/195229728.db2.gz SLZCDZJWHFZPCN-UHFFFAOYSA-N 1 0 491.038 6.862 50 0 JKAARO Clc1nc2c(cnn2-c2ccccc2)c(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000020841338 195230074 /nfs/dbraw/zinc/23/00/74/195230074.db2.gz ZLSQJAORLAUWRI-UHFFFAOYSA-N 1 0 481.003 5.381 50 0 JKAARO CCCC[NH+](CCCC)CCCNC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1)S2 ZINC000020737411 195213691 /nfs/dbraw/zinc/21/36/91/195213691.db2.gz DDXKHHDOKBMEOG-PLRJNAJWSA-N 1 0 465.663 5.794 50 0 JKAARO Cc1oc(-c2ccc(Cl)cc2)nc1C[NH+]1CCC(C(=O)NCCc2ccc(Cl)cc2)CC1 ZINC000020856224 195231954 /nfs/dbraw/zinc/23/19/54/195231954.db2.gz MJXKWYRFXQLDAX-UHFFFAOYSA-N 1 0 472.416 5.528 50 0 JKAARO COc1cc(Cl)c(C[N@@H+]2CCC[C@@H](c3nc(C)ncc3-c3ccc(F)cc3)C2)cc1OC ZINC000020773925 195223766 /nfs/dbraw/zinc/22/37/66/195223766.db2.gz WVGDRLSCUGCVCM-GOSISDBHSA-N 1 0 455.961 5.641 50 0 JKAARO CCC[NH+](CCC)CCCNC(=O)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1 ZINC000020904457 195244876 /nfs/dbraw/zinc/24/48/76/195244876.db2.gz FCCZGVFSSAHWDO-UIOOFZCWSA-N 1 0 481.706 5.600 50 0 JKAARO CC[C@H](C)[N@H+](CCNC(=O)CCN1c2ccccc2Sc2ncccc2C1=O)Cc1cccs1 ZINC000020864636 195234270 /nfs/dbraw/zinc/23/42/70/195234270.db2.gz CGJDPLAORQCNBU-IBGZPJMESA-N 1 0 494.686 5.062 50 0 JKAARO Cc1c(Cl)cccc1-n1ncc(C(=O)Nc2ccc(Br)cc2)c1C1CC[NH2+]CC1 ZINC000020941346 195255633 /nfs/dbraw/zinc/25/56/33/195255633.db2.gz YNPNZLBNIIQBII-UHFFFAOYSA-N 1 0 473.802 5.316 50 0 JKAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(N2CCOc3ccc(Cl)cc32)s1 ZINC000020992053 195262433 /nfs/dbraw/zinc/26/24/33/195262433.db2.gz PFYFPHMGXGYTCS-UHFFFAOYSA-N 1 0 468.022 5.326 50 0 JKAARO Cc1c(C[NH2+]CCC[N@H+](Cc2ccccc2)C(C)C)c(C(=O)[O-])c(C)n1-c1ccc(Cl)cc1 ZINC000021024958 195268649 /nfs/dbraw/zinc/26/86/49/195268649.db2.gz XDVHZBYGTMOLJP-UHFFFAOYSA-N 1 0 468.041 5.836 50 0 JKAARO COc1ccc(-c2csc3ncnc(NCC4CC[NH+](Cc5ccccc5F)CC4)c23)cc1 ZINC000021049184 195272230 /nfs/dbraw/zinc/27/22/30/195272230.db2.gz OHOUQZMOZIEXQL-UHFFFAOYSA-N 1 0 462.594 5.830 50 0 JKAARO Cc1ccc(Cn2c(C[NH+]3CCC(C(=O)NC4CCCCCCC4)CC3)cc3ccccc32)cc1 ZINC000021116201 195278542 /nfs/dbraw/zinc/27/85/42/195278542.db2.gz WTZBXQKHKODIHX-UHFFFAOYSA-N 1 0 471.689 6.439 50 0 JKAARO Cc1cc(N2CC[NH+](C3CCCCC3)CC2)n2nc(C(F)(F)F)c(-c3ccccc3Cl)c2n1 ZINC000021150431 195282454 /nfs/dbraw/zinc/28/24/54/195282454.db2.gz VJXMLULPGRQFGW-UHFFFAOYSA-N 1 0 477.962 5.832 50 0 JKAARO Cc1ccc(C(=O)Nc2c3cc(C)ccc3[nH]c2C(=O)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000021361396 195298832 /nfs/dbraw/zinc/29/88/32/195298832.db2.gz SJHZQSOUEAUGDF-UHFFFAOYSA-N 1 0 458.606 5.128 50 0 JKAARO Cc1oc(-c2cccc(Br)c2)nc1C[NH+]1CCC(C(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000021367894 195300180 /nfs/dbraw/zinc/30/01/80/195300180.db2.gz JQMGGLGODGGJOE-KRWDZBQOSA-N 1 0 482.422 5.502 50 0 JKAARO O[C@@](c1ccc(Br)cc1)([C@@H](C[NH+]1CCOCC1)c1ccccc1)C1CCCCC1 ZINC000021523097 195303783 /nfs/dbraw/zinc/30/37/83/195303783.db2.gz MKCWNMODGUNHIW-DQEYMECFSA-N 1 0 458.440 5.333 50 0 JKAARO CCC[NH+](CCC)CCCN1C(=O)c2cc3sccc3n2C[C@]1(C)C(=O)NC1CCCCCC1 ZINC000021526005 195304658 /nfs/dbraw/zinc/30/46/58/195304658.db2.gz KVZXDIMGZQJQMV-HHHXNRCGSA-N 1 0 486.726 5.268 50 0 JKAARO CCC[NH+](CCC)CCCN1C(=O)c2cc3sccc3n2C[C@@]1(C)C(=O)NC1CCCCCC1 ZINC000021526002 195304727 /nfs/dbraw/zinc/30/47/27/195304727.db2.gz KVZXDIMGZQJQMV-MHZLTWQESA-N 1 0 486.726 5.268 50 0 JKAARO CCC[NH+](CCC)CCN1C(=O)c2cc3sc(CC)cc3n2C[C@@]1(C)C(=O)NC1CCCCC1 ZINC000021526062 195304866 /nfs/dbraw/zinc/30/48/66/195304866.db2.gz JHTSMBXJUCNDOT-MHZLTWQESA-N 1 0 486.726 5.051 50 0 JKAARO CCC[NH+](CCC)CCN1C(=O)c2cc3sc(CC)cc3n2C[C@]1(C)C(=O)NC1CCCCC1 ZINC000021526063 195304871 /nfs/dbraw/zinc/30/48/71/195304871.db2.gz JHTSMBXJUCNDOT-HHHXNRCGSA-N 1 0 486.726 5.051 50 0 JKAARO CCc1cc2c(cc3n2C[C@](C)(C(=O)NC2CCCCCC2)N(CCC[NH+]2CCCCC2)C3=O)s1 ZINC000021526030 195304928 /nfs/dbraw/zinc/30/49/28/195304928.db2.gz QRSVNOBDVSSHET-MUUNZHRXSA-N 1 0 498.737 5.195 50 0 JKAARO COc1ccccc1C(=O)Nc1ccc2[nH]c(C)c([C@@H](c3ccccn3)[NH+]3CCCCC3)c2c1 ZINC000021805865 195323396 /nfs/dbraw/zinc/32/33/96/195323396.db2.gz HMTHJPMWHZIDCU-HHHXNRCGSA-N 1 0 454.574 5.708 50 0 JKAARO O=C(Nc1ccc(C(=O)N2CCC([NH+]3CCCCC3)CC2)cc1)N1CCCCc2ccccc21 ZINC000021916186 195332391 /nfs/dbraw/zinc/33/23/91/195332391.db2.gz RUAIXCSQVGBXGQ-UHFFFAOYSA-N 1 0 460.622 5.152 50 0 JKAARO O=C(NCCC[N@@H+](Cc1cccs1)C[C@@H]1CCCO1)c1cc(-c2cccnc2)nc2ccccc21 ZINC000021934666 195335847 /nfs/dbraw/zinc/33/58/47/195335847.db2.gz ACIXNUVWPHXOGD-QFIPXVFZSA-N 1 0 486.641 5.159 50 0 JKAARO Cc1ccc2nc(-c3ccccn3)cc(C(=O)NCC3CC[NH+](Cc4ccccc4F)CC3)c2c1 ZINC000021934481 195335997 /nfs/dbraw/zinc/33/59/97/195335997.db2.gz SWUVYSUJQXSQJS-UHFFFAOYSA-N 1 0 468.576 5.386 50 0 JKAARO Cc1ccc2nc(-c3ccccn3)cc(C(=O)NCCC[N@H+](Cc3ccccc3)C(C)C)c2c1 ZINC000021934438 195336008 /nfs/dbraw/zinc/33/60/08/195336008.db2.gz NVBUNUCPLXFHBN-UHFFFAOYSA-N 1 0 452.602 5.636 50 0 JKAARO Cc1ccc(C[NH+]2CCC(CNC(=O)c3cc(-c4cccnc4)nc4ccc(C)cc43)CC2)cc1 ZINC000021934793 195336025 /nfs/dbraw/zinc/33/60/25/195336025.db2.gz BLZIAOYJMOUWKW-UHFFFAOYSA-N 1 0 464.613 5.556 50 0 JKAARO O=C(NCC1CC[NH+](CCc2ccc(F)cc2)CC1)c1cc(-c2cccnc2)nc2ccccc21 ZINC000021935395 195336157 /nfs/dbraw/zinc/33/61/57/195336157.db2.gz ZLVWOSLPNKXNPB-UHFFFAOYSA-N 1 0 468.576 5.120 50 0 JKAARO Cc1ccc2nc(-c3cccnc3)cc(C(=O)NCC3CC[NH+](Cc4ccccc4F)CC3)c2c1 ZINC000021934858 195336183 /nfs/dbraw/zinc/33/61/83/195336183.db2.gz HRNZRABNXUWOGD-UHFFFAOYSA-N 1 0 468.576 5.386 50 0 JKAARO Cc1c(NC(=O)[C@H](C)[NH2+][C@H](c2ccc(C(C)(C)C)cc2)C(C)C)c(=O)n(-c2ccccc2)n1C ZINC000057503176 195348663 /nfs/dbraw/zinc/34/86/63/195348663.db2.gz FWWQCXWXLHPWNX-CYFREDJKSA-N 1 0 462.638 5.096 50 0 JKAARO CC[C@H](C)c1ccc([C@@H]([NH2+][C@@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)C(C)C)cc1 ZINC000057825595 195360779 /nfs/dbraw/zinc/36/07/79/195360779.db2.gz KODSPKSHKBVYGU-RLSLOFABSA-N 1 0 462.638 5.312 50 0 JKAARO CCCCOc1ccc([C@](C)(O)[C@H](C[NH+]2CCN(c3ccccc3F)CC2)c2ccccc2)cc1 ZINC000058480181 195379970 /nfs/dbraw/zinc/37/99/70/195379970.db2.gz CGRKRCYATSPLET-OFSOJUDTSA-N 1 0 476.636 5.818 50 0 JKAARO COc1ccc(-c2csc3ncnc(NCCCN4CC[NH+](C5CCCCC5)CC4)c23)cc1 ZINC000021643287 195319007 /nfs/dbraw/zinc/31/90/07/195319007.db2.gz NXGJALAQMOUZBC-UHFFFAOYSA-N 1 0 465.667 5.119 50 0 JKAARO Cc1ccc(Cn2cc([C@@H](CCc3ccccc3)CC(=O)NCC[NH+]3CCCC3)c3ccccc32)cc1 ZINC000096277366 130017123 /nfs/dbraw/zinc/01/71/23/130017123.db2.gz OLPRGONHQSXUPG-LJAQVGFWSA-N 1 0 493.695 6.317 50 0 JKAARO Cc1ccccc1[C@H](CC[NH+]1CCN(c2ccccc2Cl)CC1)Oc1ccc(F)c(Cl)c1 ZINC000096281666 130028170 /nfs/dbraw/zinc/02/81/70/130028170.db2.gz HTCVYMXEYNUGGY-SANMLTNESA-N 1 0 473.419 6.773 50 0 JKAARO COc1ccccc1O[C@H](CCN1CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000096281680 130028558 /nfs/dbraw/zinc/02/85/58/130028558.db2.gz ZVRFFSGVANSGOU-RUZDIDTESA-N 1 0 451.010 5.677 50 0 JKAARO CC[C@H](C(=O)NCC[NH+]1CCCC1)n1c(Cc2ccccc2)nc2cc(Cl)c(Cl)cc21 ZINC000096291175 130042668 /nfs/dbraw/zinc/04/26/68/130042668.db2.gz PSULSSYNOOXGRF-OAQYLSRUSA-N 1 0 459.421 5.097 50 0 JKAARO Cc1c2occ(-c3ccccc3)c2cc2c(C)c(CC(=O)NC[C@H]3CCC[N@@H+]4CCCC[C@H]34)c(=O)oc12 ZINC000096343569 130073988 /nfs/dbraw/zinc/07/39/88/130073988.db2.gz WPEHEVJHESFRGZ-AJTFRIOCSA-N 1 0 498.623 5.746 50 0 JKAARO CCc1nc2ccccc2c(NC(=O)CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1C ZINC000096471167 130095924 /nfs/dbraw/zinc/09/59/24/130095924.db2.gz VWGHRIVHUMJSAJ-UHFFFAOYSA-N 1 0 478.640 5.451 50 0 JKAARO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)Nc1ccc(C(F)(F)F)cc1 ZINC000059595121 518201013 /nfs/dbraw/zinc/20/10/13/518201013.db2.gz QSSMCMBVUJVRFG-UHFFFAOYSA-N 1 0 454.496 5.672 50 0 JKAARO C/C(=C\c1ccccc1)C[NH+]1CCC(O)(c2ccc3oc(C(=O)N4C[C@@H](C)O[C@@H](C)C4)cc3c2)CC1 ZINC000014968673 518445527 /nfs/dbraw/zinc/44/55/27/518445527.db2.gz QSPPIQHNFLBKMS-YAMJFRNASA-N 1 0 488.628 5.069 50 0 JKAARO CC(C)(C)OC[C@@H](O)C[N@@H+](Cc1ccccc1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000036146085 518879229 /nfs/dbraw/zinc/87/92/29/518879229.db2.gz KBTBSKVYDLDWMJ-PMACEKPBSA-N 1 0 465.421 5.165 50 0 JKAARO CC(C)(C)c1cc(Sc2c(F)c(F)nc(NCC[NH+]3CCCCC3)c2F)cc(C(C)(C)C)c1O ZINC000033435788 519005666 /nfs/dbraw/zinc/00/56/66/519005666.db2.gz FBGCIPMFZBNWKV-UHFFFAOYSA-N 1 0 495.655 6.849 50 0 JKAARO CC(C)(C)c1ccc([C@@H](CNC(=O)c2cc(=O)c3cc(Cl)ccc3o2)[NH+]2CCCC2)cc1 ZINC000028289498 519048043 /nfs/dbraw/zinc/04/80/43/519048043.db2.gz UGGLDIJCMBBJFZ-OAQYLSRUSA-N 1 0 452.982 5.311 50 0 JKAARO CC(C)[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@@H](O)COC(C)(C)C ZINC000036307588 519653031 /nfs/dbraw/zinc/65/30/31/519653031.db2.gz NSVDZQKWQIXPHL-JOCHJYFZSA-N 1 0 469.601 5.405 50 0 JKAARO CC(=O)Nc1ccc(-c2cc(C(=O)NCC[C@H](C)[NH+]3CCCCCC3)c3ccccc3n2)cc1 ZINC000033106322 519707858 /nfs/dbraw/zinc/70/78/58/519707858.db2.gz IQJCBTBLDIQQHH-FQEVSTJZSA-N 1 0 458.606 5.245 50 0 JKAARO CC(=O)Nc1ccc(-c2cc(C(=O)NCCC[NH+]3CCCCCC3)c3cc(C)ccc3n2)cc1 ZINC000033106395 519707886 /nfs/dbraw/zinc/70/78/86/519707886.db2.gz ZFLKAQXVPJGZJX-UHFFFAOYSA-N 1 0 458.606 5.165 50 0 JKAARO CC(C)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)C[C@H](O)COC(C)(C)C ZINC000036306666 519717674 /nfs/dbraw/zinc/71/76/74/519717674.db2.gz FWPGTGGVCTXSJF-QFIPXVFZSA-N 1 0 483.628 5.653 50 0 JKAARO CC(C)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@@H](O)COC(C)C ZINC000036307365 519717734 /nfs/dbraw/zinc/71/77/34/519717734.db2.gz AUJPIFFWKWJMJC-HSZRJFAPSA-N 1 0 469.601 5.262 50 0 JKAARO CC(C)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@H](O)COC(C)(C)C ZINC000036307394 519717819 /nfs/dbraw/zinc/71/78/19/519717819.db2.gz DGBCGSCCSNJUHW-QHCPKHFHSA-N 1 0 483.628 5.653 50 0 JKAARO CC(C)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@H](O)COC(C)C ZINC000036308049 519717947 /nfs/dbraw/zinc/71/79/47/519717947.db2.gz FKSPQEIFPLSDDL-QHCPKHFHSA-N 1 0 451.611 5.123 50 0 JKAARO CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)[C@@H]1c1cccs1 ZINC000020508386 519719859 /nfs/dbraw/zinc/71/98/59/519719859.db2.gz JZXJENSQODVAJC-PJTSNVSCSA-N 1 0 481.706 5.169 50 0 JKAARO CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)N2CCC([NH+]3CCCCC3)CC2)[C@@H]1c1cccs1 ZINC000020508432 519719912 /nfs/dbraw/zinc/71/99/12/519719912.db2.gz LHBAILQPAVGNLS-UIOOFZCWSA-N 1 0 479.690 5.162 50 0 JKAARO CC(C)COC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(Cl)cc1)C1CC1 ZINC000036305131 519757708 /nfs/dbraw/zinc/75/77/08/519757708.db2.gz LRRGIHOIBAUUGH-HSZRJFAPSA-N 1 0 484.040 5.531 50 0 JKAARO CC(C)OC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(Cl)cc1)C1CC1 ZINC000036305117 519771565 /nfs/dbraw/zinc/77/15/65/519771565.db2.gz KCCLDSAIJXTCNS-QFIPXVFZSA-N 1 0 470.013 5.283 50 0 JKAARO CC(C)OC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(Cl)cc1)CC1CC1 ZINC000036305208 519771725 /nfs/dbraw/zinc/77/17/25/519771725.db2.gz BHTPWWKFJTZKPY-QHCPKHFHSA-N 1 0 484.040 5.531 50 0 JKAARO CC(C)OC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)CC1CC1 ZINC000036306865 519771803 /nfs/dbraw/zinc/77/18/03/519771803.db2.gz FSJLUIBTYDRMIO-QFIPXVFZSA-N 1 0 467.585 5.016 50 0 JKAARO CC(C)OC[C@H](O)C[N@@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000036146382 519773735 /nfs/dbraw/zinc/77/37/35/519773735.db2.gz HXMYAUYHMKSGBA-UXHICEINSA-N 1 0 485.839 5.428 50 0 JKAARO CC(C)OC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)CC1CC1 ZINC000036306862 519773868 /nfs/dbraw/zinc/77/38/68/519773868.db2.gz FSJLUIBTYDRMIO-JOCHJYFZSA-N 1 0 467.585 5.016 50 0 JKAARO CC(C)[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)CC1CC1 ZINC000036305035 519823191 /nfs/dbraw/zinc/82/31/91/519823191.db2.gz BURDVNBHXZFZSC-HSZRJFAPSA-N 1 0 454.014 5.762 50 0 JKAARO CC(C)c1ccc(-c2cc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)c3ccccc3n2)cc1 ZINC000002088190 519833708 /nfs/dbraw/zinc/83/37/08/519833708.db2.gz BJVZUVPEBRFUCT-UHFFFAOYSA-N 1 0 463.625 6.420 50 0 JKAARO CC(C)c1ccc(C[NH+]2CCC(N(c3ccc(F)cc3)S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000034683687 519835888 /nfs/dbraw/zinc/83/58/88/519835888.db2.gz MZCLKAGTHDCBGI-UHFFFAOYSA-N 1 0 466.622 5.809 50 0 JKAARO CC(C)c1ccc([C@@H](CNC(=O)c2cc(-c3ccccc3)nc3ccccc32)[NH+]2CCCCC2)cc1 ZINC000028293384 519839381 /nfs/dbraw/zinc/83/93/81/519839381.db2.gz SHHJKMGNNRVJGQ-WJOKGBTCSA-N 1 0 477.652 6.982 50 0 JKAARO CCC[NH+]1CCC(N(C(=O)c2ccc(S(C)(=O)=O)cc2)c2ccc3[nH]c(C(C)(C)C)cc3c2)CC1 ZINC000016080050 519843189 /nfs/dbraw/zinc/84/31/89/519843189.db2.gz MQBKFBCPJDVUHH-UHFFFAOYSA-N 1 0 495.689 5.390 50 0 JKAARO CCC[NH+]1CCC(N(C(=O)c2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2)C2CC2)CC1 ZINC000016080102 519843344 /nfs/dbraw/zinc/84/33/44/519843344.db2.gz OOEURFOMKKFJOT-UHFFFAOYSA-N 1 0 473.539 5.437 50 0 JKAARO CC(C)c1ccccc1OCc1nc(CN(CC[NH+]2CCCCC2)C(=O)Cc2ccccc2)cs1 ZINC000036116619 519847681 /nfs/dbraw/zinc/84/76/81/519847681.db2.gz QHQLGBQAASRGPB-UHFFFAOYSA-N 1 0 491.701 5.903 50 0 JKAARO CC(C)c1ccccc1OCc1nc(CN(CC[NH+]2CCCCC2)C(=O)c2cccs2)cs1 ZINC000036116610 519847845 /nfs/dbraw/zinc/84/78/45/519847845.db2.gz ZJQUVACDLDLMDQ-UHFFFAOYSA-N 1 0 483.703 6.035 50 0 JKAARO CCOC[C@@H](O)C[N@@H+](Cc1c(C(C)C)nn(-c2ccccc2)c1Oc1ccccc1F)CC1CC1 ZINC000036307969 520095617 /nfs/dbraw/zinc/09/56/17/520095617.db2.gz PKTMHVIEIWXGHU-QHCPKHFHSA-N 1 0 481.612 5.537 50 0 JKAARO CCCCCC[C@](O)(c1ccc(OCCCC)cc1)[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000020443779 520136148 /nfs/dbraw/zinc/13/61/48/520136148.db2.gz NAOPZZWVQAHYKF-WDYNHAJCSA-N 1 0 453.667 6.140 50 0 JKAARO CCOC[C@H](O)C[N@@H+](Cc1c(C(C)C)nn(-c2ccccc2)c1Oc1ccccc1F)CC1CC1 ZINC000036307966 520155286 /nfs/dbraw/zinc/15/52/86/520155286.db2.gz PKTMHVIEIWXGHU-HSZRJFAPSA-N 1 0 481.612 5.537 50 0 JKAARO CCOC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(Cl)cc1)CC1CC1 ZINC000036305253 520155900 /nfs/dbraw/zinc/15/59/00/520155900.db2.gz MVXLVAFAQMGBGU-JOCHJYFZSA-N 1 0 470.013 5.142 50 0 JKAARO CC1(C)CCC[C@@H]([NH+]2CCC3(CC2)C(=O)N(CCCc2cccnc2)C(=O)N3Cc2ccccc2)C1 ZINC000014740738 520340992 /nfs/dbraw/zinc/34/09/92/520340992.db2.gz WFQRUULKXRRKPR-AREMUKBSSA-N 1 0 488.676 5.282 50 0 JKAARO CCCOc1ccc([C@@](O)(CCc2ccccc2)[C@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000020440487 520425198 /nfs/dbraw/zinc/42/51/98/520425198.db2.gz STUVJWIKNALXHR-JSOSNVBQSA-N 1 0 457.658 6.566 50 0 JKAARO CCCC[N@H+](CCCNC(=O)c1cc(Nc2ccc(OC)cc2)nc2ccccc21)Cc1ccccc1 ZINC000008595302 520499954 /nfs/dbraw/zinc/49/99/54/520499954.db2.gz LPBPWOLNUROWGA-UHFFFAOYSA-N 1 0 496.655 6.409 50 0 JKAARO CC[NH+](CC)CCC[C@@H](C)Nc1nc(/C=C/c2ccc(Cl)cc2Cl)nc2ccc(OC)cc21 ZINC000012411608 520631941 /nfs/dbraw/zinc/63/19/41/520631941.db2.gz OFUVJTUTXSSQIJ-PMXLPMHFSA-N 1 0 487.475 7.038 50 0 JKAARO CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)c2cc3cc4cc(C)ccc4nc3s2)cc1 ZINC000085393303 520691226 /nfs/dbraw/zinc/69/12/26/520691226.db2.gz QFTHZPUXHWUTSD-UHFFFAOYSA-N 1 0 461.587 5.509 50 0 JKAARO CCCC[NH2+][C@@H](c1sc2nc(C)cc(COC)c2c1NC(=O)c1ccccc1)c1ccccc1 ZINC000012420162 520697001 /nfs/dbraw/zinc/69/70/01/520697001.db2.gz OLDNNODHMCVBGL-XMMPIXPASA-N 1 0 473.642 6.483 50 0 JKAARO CCC[C@@H](O)C[N@H+](CCC)Cc1c(CC)nn(-c2ccc(OC)cc2)c1Oc1ccccc1OC ZINC000036303374 520797161 /nfs/dbraw/zinc/79/71/61/520797161.db2.gz ZWMCUCBEEZLCQH-JOCHJYFZSA-N 1 0 481.637 5.617 50 0 JKAARO CCC[C@@H](O)C[N@H+](CCC(C)C)CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1 ZINC000036309166 520798106 /nfs/dbraw/zinc/79/81/06/520798106.db2.gz ZFNUUQNUIXILHA-RDGATRHJSA-N 1 0 472.695 5.070 50 0 JKAARO CCOc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3NC[C@H](c2ccco2)[NH+](C)C)cc1 ZINC000035681705 520837733 /nfs/dbraw/zinc/83/77/33/520837733.db2.gz RUWFLAIMASREMT-XMMPIXPASA-N 1 0 467.573 5.794 50 0 JKAARO CC1=Nc2cc(C(=O)NCCC[NH+]3[C@@H](C)CCC[C@@H]3C)ccc2Sc2ccc(Cl)cc21 ZINC000020178895 520900876 /nfs/dbraw/zinc/90/08/76/520900876.db2.gz FSKNGZBLNIYLIQ-IRXDYDNUSA-N 1 0 456.055 6.328 50 0 JKAARO CCCCSCCCNC(=O)C1CC[NH+](Cc2nc(-c3ccc(CC)cc3)oc2C)CC1 ZINC000008597596 520954685 /nfs/dbraw/zinc/95/46/85/520954685.db2.gz AQBIOGJQKFPDTN-UHFFFAOYSA-N 1 0 457.684 5.464 50 0 JKAARO CC1CC[NH+](Cc2ccc(NC(=O)C3CCN(c4nc(-c5ccc(Cl)cc5)no4)CC3)cc2)CC1 ZINC000021650268 521025921 /nfs/dbraw/zinc/02/59/21/521025921.db2.gz CSXKBOJMMDWETB-UHFFFAOYSA-N 1 0 494.039 5.477 50 0 JKAARO CC1CC[NH+]([C@@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)c2ccccc2F)CC1 ZINC000038546320 521035102 /nfs/dbraw/zinc/03/51/02/521035102.db2.gz LFIPKFXGDBELOD-XMMPIXPASA-N 1 0 452.595 6.433 50 0 JKAARO CCC(=C(c1ccc(OC)cc1)c1ccc(OC)cc1)c1cn(C[C@@H](O)C[NH+](C)C)c2ccccc12 ZINC000008431276 521058639 /nfs/dbraw/zinc/05/86/39/521058639.db2.gz FLUSFFKCRTWZJX-DEOSSOPVSA-N 1 0 484.640 5.950 50 0 JKAARO CCOc1ccc(NC(=O)N2CCC[C@@H](c3cccc(C(=O)NCCC[NH+]4CCCCC4)c3)C2)cc1 ZINC000033035216 521083886 /nfs/dbraw/zinc/08/38/86/521083886.db2.gz XPZYXOHQGGAINP-RUZDIDTESA-N 1 0 492.664 5.103 50 0 JKAARO CCC[C@H](O)C[N@H+](CCC)Cc1c(CC)nn(-c2ccc(OC)cc2)c1Oc1ccccc1OC ZINC000036303371 521180769 /nfs/dbraw/zinc/18/07/69/521180769.db2.gz ZWMCUCBEEZLCQH-QFIPXVFZSA-N 1 0 481.637 5.617 50 0 JKAARO CCOC(=O)c1cc(-c2ccccc2)sc1NC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000016346908 521427066 /nfs/dbraw/zinc/42/70/66/521427066.db2.gz RMRWQLARYBYMPK-UHFFFAOYSA-N 1 0 479.671 5.543 50 0 JKAARO CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1cccc(C)c1)C(c1ccc(C(C)(C)C)cc1)=N2 ZINC000045912764 521584940 /nfs/dbraw/zinc/58/49/40/521584940.db2.gz HDRQGVDIFFWCRQ-UHFFFAOYSA-N 1 0 476.690 5.678 50 0 JKAARO CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1cccc(F)c1)C(c1ccc(C(C)(C)C)cc1)=N2 ZINC000045912776 521585150 /nfs/dbraw/zinc/58/51/50/521585150.db2.gz RZLGRYAQHDDOHH-UHFFFAOYSA-N 1 0 480.653 5.508 50 0 JKAARO CCCn1c(CN2CC[NH+](Cc3ccccc3)CC2)nc2cc(NC(=O)c3ccc(OC)cc3)ccc21 ZINC000022804489 521629914 /nfs/dbraw/zinc/62/99/14/521629914.db2.gz GINCCFOAEAPCDU-UHFFFAOYSA-N 1 0 497.643 5.025 50 0 JKAARO CCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@@H](O)Cc1ccccc1 ZINC000036307678 521678591 /nfs/dbraw/zinc/67/85/91/521678591.db2.gz XYYBSOCHTFIZRV-VWLOTQADSA-N 1 0 473.592 5.834 50 0 JKAARO CCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)C[C@@H](O)COC(C)(C)C ZINC000036306279 521678710 /nfs/dbraw/zinc/67/87/10/521678710.db2.gz XLWGBZDUDMQCSW-JOCHJYFZSA-N 1 0 481.637 5.276 50 0 JKAARO CCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)C[C@H](O)COC(C)(C)C ZINC000036306277 521678778 /nfs/dbraw/zinc/67/87/78/521678778.db2.gz XLWGBZDUDMQCSW-QFIPXVFZSA-N 1 0 481.637 5.276 50 0 JKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C[C@H](O)COCC(C)C ZINC000036304174 521679047 /nfs/dbraw/zinc/67/90/47/521679047.db2.gz UDXGHGRJBXEVJK-QHCPKHFHSA-N 1 0 487.591 5.497 50 0 JKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)C[C@@H](O)Cc1ccccc1 ZINC000036308523 521679230 /nfs/dbraw/zinc/67/92/30/521679230.db2.gz JVWUKNGJNCOHOH-SANMLTNESA-N 1 0 455.602 5.789 50 0 JKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C[C@H](O)Cc1ccccc1 ZINC000036304541 521679357 /nfs/dbraw/zinc/67/93/57/521679357.db2.gz KXQXDGCUVVQCPE-AREMUKBSSA-N 1 0 485.628 5.797 50 0 JKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccc(Cl)cc2)c1Oc1ccccc1OC)C[C@@H](O)COCC ZINC000036301896 521679419 /nfs/dbraw/zinc/67/94/19/521679419.db2.gz PEHGTNTXVUEOOM-JOCHJYFZSA-N 1 0 488.028 5.244 50 0 JKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C[C@@H](O)COCC(C)C ZINC000036303913 521679525 /nfs/dbraw/zinc/67/95/25/521679525.db2.gz XLYVLCLPAGXWGO-XMMPIXPASA-N 1 0 481.637 5.227 50 0 JKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C[C@H](O)COCC(C)C ZINC000036304547 521679657 /nfs/dbraw/zinc/67/96/57/521679657.db2.gz QZXBQCCMGJCDFW-DEOSSOPVSA-N 1 0 481.637 5.227 50 0 JKAARO CCC[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1OC)C[C@@H](O)C(C)C ZINC000036302813 521680587 /nfs/dbraw/zinc/68/05/87/521680587.db2.gz ZPBJGYJDNDEAGK-XMMPIXPASA-N 1 0 451.611 5.465 50 0 JKAARO CCC[N@H+](Cc1ccc(C(O)(c2ccccc2)c2ccccc2)o1)Cc1cc(OC)cc(OC)c1 ZINC000036167623 521682828 /nfs/dbraw/zinc/68/28/28/521682828.db2.gz JXAXMEGHKAUTMB-UHFFFAOYSA-N 1 0 471.597 5.993 50 0 JKAARO CC[NH+]1CCN([C@@H](c2c(C)c(C)sc2NC(=O)c2ccco2)c2ccc(C(F)(F)F)cc2)CC1 ZINC000021554781 521693343 /nfs/dbraw/zinc/69/33/43/521693343.db2.gz FTMDXDHNHQAYHV-JOCHJYFZSA-N 1 0 491.579 5.956 50 0 JKAARO CN(c1onc(-c2ccccc2)c1CN(CC[NH+](C)C)C(=O)c1cccc(F)c1)C1CCCCC1 ZINC000036249561 521749646 /nfs/dbraw/zinc/74/96/46/521749646.db2.gz KTMSANUVNQMCTJ-UHFFFAOYSA-N 1 0 478.612 5.454 50 0 JKAARO C[NH+](C)Cc1cc(-c2nc3ccccc3s2)ccc1OCC(=O)N[C@H]1CCCc2ccccc21 ZINC000014974430 521890059 /nfs/dbraw/zinc/89/00/59/521890059.db2.gz GSRVGQGFXKYULO-QHCPKHFHSA-N 1 0 471.626 5.598 50 0 JKAARO Cn1cc([C@@H](CN2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)[NH+](C)C)c2ccccc21 ZINC000002317153 522070105 /nfs/dbraw/zinc/07/01/05/522070105.db2.gz GLOVBXQEFABPIY-CYBMUJFWSA-N 1 0 485.198 5.691 50 0 JKAARO CC[C@@H](C)[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)C[C@H](O)COC(C)(C)C ZINC000036306165 522095018 /nfs/dbraw/zinc/09/50/18/522095018.db2.gz AAEIISIJRWFLFD-GGAORHGYSA-N 1 0 495.664 5.665 50 0 JKAARO CC[C@@H](C)[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)C[C@H](O)COC(C)C ZINC000036308390 522098049 /nfs/dbraw/zinc/09/80/49/522098049.db2.gz STHXDYSJWCCWGU-QPPBQGQZSA-N 1 0 451.611 5.359 50 0 JKAARO CC[C@@H](C)[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C[C@H](O)COC(C)C ZINC000036302058 522098366 /nfs/dbraw/zinc/09/83/66/522098366.db2.gz IXTRLJCWBXASNP-QPPBQGQZSA-N 1 0 481.637 5.368 50 0 JKAARO COc1cc(C(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)ccc1OCc1c(C)noc1C ZINC000046779517 522126711 /nfs/dbraw/zinc/12/67/11/522126711.db2.gz LYIOWFUFEWSKPR-IBGZPJMESA-N 1 0 477.605 5.041 50 0 JKAARO COc1cc(C[N@@H+](Cc2cc(=O)n3c(-c4ccccc4)csc3n2)CC(C)C)cc(OC)c1OC ZINC000033068993 522357916 /nfs/dbraw/zinc/35/79/16/522357916.db2.gz VYIPEGWADLUXHF-UHFFFAOYSA-N 1 0 493.629 5.107 50 0 JKAARO COc1cc(C[NH+]2CCC([C@@H](Cc3ccccc3Cl)N(C)C(=O)c3ccco3)CC2)ccc1F ZINC000012281737 522369665 /nfs/dbraw/zinc/36/96/65/522369665.db2.gz HFYUUIOFNJGFPD-XMMPIXPASA-N 1 0 484.999 5.676 50 0 JKAARO COc1cc(C[N@@H+]2CCC[C@H](C)C2)ccc1OCCCNC(=O)c1ccccc1C(F)(F)F ZINC000014985032 522377013 /nfs/dbraw/zinc/37/70/13/522377013.db2.gz IWFWZWDXBMSZJL-SFHVURJKSA-N 1 0 464.528 5.145 50 0 JKAARO COc1cc(C[NH2+]C2CCCCC2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000020228368 522442579 /nfs/dbraw/zinc/44/25/79/522442579.db2.gz GRQDDJGTSHDWFO-UHFFFAOYSA-N 1 0 473.238 6.766 50 0 JKAARO COc1cc(C[NH2+]Cc2cccnc2)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000016195614 522467791 /nfs/dbraw/zinc/46/77/91/522467791.db2.gz CBHRWLJQXOVISM-UHFFFAOYSA-N 1 0 482.205 6.028 50 0 JKAARO CCc1nn(-c2ccc(F)cc2)c(Oc2ccccc2)c1C[N@H+](C[C@@H](O)COCC(C)C)C(C)C ZINC000036303446 522637477 /nfs/dbraw/zinc/63/74/77/522637477.db2.gz KUTQPRLNFPHPBM-XMMPIXPASA-N 1 0 483.628 5.610 50 0 JKAARO C[N@H+](CCCN1C(=O)c2ccc(-c3ccco3)n2C[C@]1(C)C(=O)NC1CCCCC1)C1CCCCC1 ZINC000021863338 522744706 /nfs/dbraw/zinc/74/47/06/522744706.db2.gz IKJJRMXDRLIWBO-GDLZYMKVSA-N 1 0 494.680 5.066 50 0 JKAARO CC[C@H](O)C[N@@H+](Cc1c(C(C)C)nn(-c2ccccc2)c1Oc1ccccc1F)CC1CC1 ZINC000036307938 522807216 /nfs/dbraw/zinc/80/72/16/522807216.db2.gz ZPKBXFBCRHYOAU-QFIPXVFZSA-N 1 0 451.586 5.910 50 0 JKAARO CC[C@@H](O)C[N@@H+](Cc1c(C(C)C)nn(-c2ccccc2)c1Oc1ccccc1F)CC1CC1 ZINC000036307941 522993897 /nfs/dbraw/zinc/99/38/97/522993897.db2.gz ZPKBXFBCRHYOAU-JOCHJYFZSA-N 1 0 451.586 5.910 50 0 JKAARO COc1cc2c(cc1C[NH+]1CCC3(CC1)C(=O)N(C(C)C)C(=O)N3C)oc(C)c2-c1ccccc1 ZINC000014740536 522998112 /nfs/dbraw/zinc/99/81/12/522998112.db2.gz QFGMUCXARKIJKV-UHFFFAOYSA-N 1 0 475.589 5.054 50 0 JKAARO COc1ccc(-c2cc(-c3ccc(Cl)cc3)nc(NC(=O)C[N@@H+]3CCCC[C@H]3C)n2)cc1 ZINC000021659400 523084892 /nfs/dbraw/zinc/08/48/92/523084892.db2.gz GAWYNSZYVSRJMW-QGZVFWFLSA-N 1 0 450.970 5.286 50 0 JKAARO CCn1c(C(=O)NCC[N@@H+]2CCCC[C@@H]2C)cc2c(-c3cccs3)nn(-c3ccccc3)c21 ZINC000033277406 523115710 /nfs/dbraw/zinc/11/57/10/523115710.db2.gz VAHMZUSJBHZTMS-IBGZPJMESA-N 1 0 461.635 5.180 50 0 JKAARO CCn1c(C)c(C(C)=O)c2cc(OC[C@@H](O)C[NH+](C3CCCCC3)C3CCCCC3)ccc21 ZINC000028296551 523122431 /nfs/dbraw/zinc/12/24/31/523122431.db2.gz ASDJHOZCHWCGMV-DEOSSOPVSA-N 1 0 454.655 5.879 50 0 JKAARO COc1ccc(-c2cs/c(=N\c3ccccc3)n2CCC[NH2+]C(C)C)cc1Br ZINC000015911927 523159177 /nfs/dbraw/zinc/15/91/77/523159177.db2.gz KWZWVGBNPPTKKE-LVWGJNHUSA-N 1 0 460.441 5.608 50 0 JKAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(Sc2ccc(C)cc2)c(NC(C)=O)c1 ZINC000008811460 523171587 /nfs/dbraw/zinc/17/15/87/523171587.db2.gz QOQDKDGXVIDXCH-JOCHJYFZSA-N 1 0 453.652 5.489 50 0 JKAARO COc1ccc(-c2csc3nc(C[N@@H+](Cc4ccc(F)cc4)CC(C)C)cc(=O)n23)cc1 ZINC000033268800 523173066 /nfs/dbraw/zinc/17/30/66/523173066.db2.gz LMKNOGNRFCFGAM-UHFFFAOYSA-N 1 0 451.567 5.229 50 0 JKAARO CC[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2nc(-c3oc4c(cccc4C)c3C)no2)o1 ZINC000065010141 523178534 /nfs/dbraw/zinc/17/85/34/523178534.db2.gz CQDIDSOEPUYPDH-GOSISDBHSA-N 1 0 462.550 5.387 50 0 JKAARO COCCC[N@H+](Cc1ccc(C(O)(c2cccc(F)c2)c2cccc(F)c2)o1)Cc1cccs1 ZINC000036154673 523262629 /nfs/dbraw/zinc/26/26/29/523262629.db2.gz GAIAHDFHZMDYPI-UHFFFAOYSA-N 1 0 483.580 5.942 50 0 JKAARO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)CCc2ncc(-c3ccc(F)cc3)o2)CC1 ZINC000048325348 523299948 /nfs/dbraw/zinc/29/99/48/523299948.db2.gz ICNZUEMNPLDVKX-UHFFFAOYSA-N 1 0 489.513 5.555 50 0 JKAARO C[N@H+](Cc1cccc(OC2CCN(C(=O)c3cccc(Cl)c3)CC2)c1)Cc1cccc2ccccc21 ZINC000014987159 523317625 /nfs/dbraw/zinc/31/76/25/523317625.db2.gz BFQBTAULHVSBMR-UHFFFAOYSA-N 1 0 499.054 6.809 50 0 JKAARO C[N@H+](Cc1cccc2ccccc21)[C@@H]1CCC(=O)N(Cc2cc3c(cc2Cl)OCO3)CC1 ZINC000014987310 523321843 /nfs/dbraw/zinc/32/18/43/523321843.db2.gz AODXSOOXTKGGQO-OAQYLSRUSA-N 1 0 450.966 5.235 50 0 JKAARO C[N@H+](Cc1cccnc1)[C@@H](Cc1ccccc1)C1CCN(C(=O)c2cc(-c3ccccc3)n[nH]2)CC1 ZINC000012246043 523419021 /nfs/dbraw/zinc/41/90/21/523419021.db2.gz GEWOXPMCGXNQOG-LJAQVGFWSA-N 1 0 479.628 5.067 50 0 JKAARO CN(Cc1cscn1)C(=O)c1cc2cc(C3(O)CC[NH+](Cc4ccc(Cl)cc4)CC3)ccc2o1 ZINC000012219302 523538391 /nfs/dbraw/zinc/53/83/91/523538391.db2.gz FSFLCYUAKXORFG-UHFFFAOYSA-N 1 0 496.032 5.299 50 0 JKAARO COCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@H](O)Cc1ccccc1 ZINC000036307427 523734498 /nfs/dbraw/zinc/73/44/98/523734498.db2.gz MAIPHNHPUCYIJL-RUZDIDTESA-N 1 0 489.591 5.071 50 0 JKAARO COCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@@H](O)Cc1ccccc1 ZINC000036307430 523735122 /nfs/dbraw/zinc/73/51/22/523735122.db2.gz MAIPHNHPUCYIJL-VWLOTQADSA-N 1 0 489.591 5.071 50 0 JKAARO COc1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@H+](C(C)C)C3)cc1 ZINC000016837171 523765921 /nfs/dbraw/zinc/76/59/21/523765921.db2.gz VUGWAJZAMDSDKC-UHFFFAOYSA-N 1 0 463.628 6.052 50 0 JKAARO C[N@@H+]1CCC[C@H](COc2cc(-c3cccc(Cl)c3)cc3c2OCCN(C(=O)c2ccco2)C3)C1 ZINC000014952345 523841911 /nfs/dbraw/zinc/84/19/11/523841911.db2.gz VXZLVSLZWHCORE-IBGZPJMESA-N 1 0 480.992 5.355 50 0 JKAARO CCc1ccc(-c2nc(C[NH+]3CCC(C(=O)NCc4ccc(Cl)cc4)CC3)c(C)o2)cc1 ZINC000009731753 523858577 /nfs/dbraw/zinc/85/85/77/523858577.db2.gz DZIHYRVGWKBWOJ-UHFFFAOYSA-N 1 0 451.998 5.394 50 0 JKAARO CCc1ccc(C(=O)N(Cc2c(C)nn(-c3ccccc3)c2N2CC[NH+](CC)CC2)[C@@H](C)CC)cc1 ZINC000034835045 523882082 /nfs/dbraw/zinc/88/20/82/523882082.db2.gz WOEUTNMMICPRDJ-QHCPKHFHSA-N 1 0 487.692 5.326 50 0 JKAARO COc1ccc(CC(=O)Nc2ccc(N3CCC([NH2+]Cc4ccc(C)c(F)c4)CC3)cc2)cc1 ZINC000014981455 523909009 /nfs/dbraw/zinc/90/90/09/523909009.db2.gz WEBMAOWYLHYVSI-UHFFFAOYSA-N 1 0 461.581 5.083 50 0 JKAARO COc1ccc(CC(=O)Nc2ccc(N3CCC([NH2+]CCn4ccc5ccccc54)CC3)cc2)cc1 ZINC000012246881 523909173 /nfs/dbraw/zinc/90/91/73/523909173.db2.gz FKUOBVIJXBCWAQ-UHFFFAOYSA-N 1 0 482.628 5.090 50 0 JKAARO CCc1ccc(C[NH+]2CCC([C@H](Cc3ccccc3)N(C(=O)c3ccccn3)C3CC3)CC2)o1 ZINC000014976860 523923810 /nfs/dbraw/zinc/92/38/10/523923810.db2.gz KZQZGXVLAYKMJG-NDEPHWFRSA-N 1 0 457.618 5.365 50 0 JKAARO C[NH+]1CCN(c2ccccc2NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)CC1 ZINC000014643782 523927920 /nfs/dbraw/zinc/92/79/20/523927920.db2.gz KPUBFOBTEKVBPR-UHFFFAOYSA-N 1 0 486.019 5.126 50 0 JKAARO CC[C@H](C)[N@H+](Cc1ccc(C(O)(c2cccc(F)c2)c2cccc(F)c2)o1)Cc1ccccc1OC ZINC000036167809 523941833 /nfs/dbraw/zinc/94/18/33/523941833.db2.gz DXABFDMELMRITC-NRFANRHFSA-N 1 0 491.578 6.651 50 0 JKAARO CN(C(=O)c1cccs1)[C@H](Cc1ccccc1)C1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000014879967 523951305 /nfs/dbraw/zinc/95/13/05/523951305.db2.gz GKMMFMSAUYZTTF-AREMUKBSSA-N 1 0 469.654 5.892 50 0 JKAARO CN(C(=O)c1ccco1)[C@H](Cc1ccccc1Cl)C1CC[NH+](Cc2ccc3cccnc3c2)CC1 ZINC000014976685 523951475 /nfs/dbraw/zinc/95/14/75/523951475.db2.gz FMPTUPDRHOSVLJ-HHHXNRCGSA-N 1 0 488.031 6.077 50 0 JKAARO CCc1ccc(NC(=O)N2CCC[C@@H](c3cccc(C(=O)NCCC[NH+]4CCCCCC4)c3)C2)cc1 ZINC000033035617 523979573 /nfs/dbraw/zinc/97/95/73/523979573.db2.gz RWEWPZMKHLIPKV-HHHXNRCGSA-N 1 0 490.692 5.656 50 0 JKAARO COc1ccc(C[N@H+](Cc2ccc(C(O)(c3cccc(F)c3)c3cccc(F)c3)o2)C2CC2)cc1 ZINC000036156184 524014617 /nfs/dbraw/zinc/01/46/17/524014617.db2.gz ZURMGJZPGNJPFJ-UHFFFAOYSA-N 1 0 475.535 6.015 50 0 JKAARO COc1ccc(C[N@H+](Cc2ccc(C(O)(c3cccs3)c3cccs3)o2)C2CC2)cc1 ZINC000036156189 524014922 /nfs/dbraw/zinc/01/49/22/524014922.db2.gz PVFXOFSGGSBXEW-UHFFFAOYSA-N 1 0 451.613 5.860 50 0 JKAARO CO[C@H]1[C@H](NC(=O)c2ccsc2)c2ccccc2C12CC[NH+](Cc1cccc3cnccc31)CC2 ZINC000012217892 524022549 /nfs/dbraw/zinc/02/25/49/524022549.db2.gz GMEUGYHXZIYJDP-SXOMAYOGSA-N 1 0 483.637 5.330 50 0 JKAARO COc1ccc(C[NH+]2CCC([C@@H](Cc3ccccc3F)N(C)C(=O)c3ccoc3C)CC2)cc1OC ZINC000014973678 524023948 /nfs/dbraw/zinc/02/39/48/524023948.db2.gz APSDYBHQFSHUHF-AREMUKBSSA-N 1 0 494.607 5.340 50 0 JKAARO COc1ccc(C[NH+]2CCC([C@@H](Cc3ccccc3Cl)N(C)C(=O)c3ccco3)CC2)cc1 ZINC000014990213 524024715 /nfs/dbraw/zinc/02/47/15/524024715.db2.gz AZRVBURNHTWWMI-RUZDIDTESA-N 1 0 467.009 5.537 50 0 JKAARO C[NH+](C)C(C)(C)CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCc1nnc(-c2ccccc2)o1 ZINC000048308985 524032649 /nfs/dbraw/zinc/03/26/49/524032649.db2.gz BDUOOKAVQHTWEN-UHFFFAOYSA-N 1 0 489.447 5.735 50 0 JKAARO C[NH+](C)CCCn1c2ncn3nc(-c4cccnc4)nc3c2c(-c2ccccc2)c1-c1ccccc1 ZINC000013575298 524058197 /nfs/dbraw/zinc/05/81/97/524058197.db2.gz RYTMVAVAFMNQIA-UHFFFAOYSA-N 1 0 473.584 5.427 50 0 JKAARO C[NH+](C)CCN(C(=O)c1ccc(Oc2ccccc2)cc1)c1nc2ccc(Cl)cc2s1 ZINC000009151866 524059897 /nfs/dbraw/zinc/05/98/97/524059897.db2.gz CAUGRESKGSZBSQ-UHFFFAOYSA-N 1 0 451.979 5.950 50 0 JKAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(Oc2nccnc2Sc2ccc(Cl)cc2)cc1 ZINC000033139909 524103729 /nfs/dbraw/zinc/10/37/29/524103729.db2.gz BWCGOULDHLYOEY-LJQANCHMSA-N 1 0 497.064 6.068 50 0 JKAARO Cc1ccc(C)c(N2CC[NH+](CCCNC(=O)c3ccc4nc(CCc5ccccc5)oc4c3)CC2)c1 ZINC000008611223 524125346 /nfs/dbraw/zinc/12/53/46/524125346.db2.gz XPCDBNYHSRUWSW-UHFFFAOYSA-N 1 0 496.655 5.172 50 0 JKAARO COc1ccc(C[C@@H]([NH3+])c2ccc(OC)c(OCc3ccccc3)c2)cc1OCc1ccccc1 ZINC000004352920 524139940 /nfs/dbraw/zinc/13/99/40/524139940.db2.gz QURUWWAPSACQDY-AREMUKBSSA-N 1 0 469.581 6.104 50 0 JKAARO C[C@H](CCNC(=O)[C@@H](C)C1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1)[NH+]1CCCCCC1 ZINC000046125155 524189378 /nfs/dbraw/zinc/18/93/78/524189378.db2.gz TWTILTKUAIHAJJ-UXHICEINSA-N 1 0 487.088 5.080 50 0 JKAARO C[C@H]1CCCc2sc3nc(N4CC[NH+](C(c5ccccc5)c5ccccc5)CC4)n4ncnc4c3c21 ZINC000020502269 524229560 /nfs/dbraw/zinc/22/95/60/524229560.db2.gz GDWYRYCIFZPRAR-FQEVSTJZSA-N 1 0 494.668 5.690 50 0 JKAARO Cc1cc(C)c2c(n1)SCCN2C(=O)Nc1ccc(C(=O)NCCC[N@@H+](C)C2CCCCC2)cc1 ZINC000021880364 524347885 /nfs/dbraw/zinc/34/78/85/524347885.db2.gz CURMYLSAJZNQSQ-UHFFFAOYSA-N 1 0 495.693 5.227 50 0 JKAARO Cc1cc(C)c2c(nn3c2nc(C)cc3N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000020518186 524349946 /nfs/dbraw/zinc/34/99/46/524349946.db2.gz HIOPBQGRIYGZJT-UHFFFAOYSA-N 1 0 462.601 5.114 50 0 JKAARO C[C@@H]1CCC[C@H](C)[N@H+]1CCCNC(=O)c1ccc2c(c1)N(Cc1ccc(F)cc1)CCS2 ZINC000009962683 524363751 /nfs/dbraw/zinc/36/37/51/524363751.db2.gz PXENOSPDLHVTGW-BGYRXZFFSA-N 1 0 455.643 5.321 50 0 JKAARO Cc1cccc(C[NH+]2CCC(CNC(=O)c3cnc(N4CCCCC4)c4ccccc34)CC2)c1 ZINC000033073211 524385935 /nfs/dbraw/zinc/38/59/35/524385935.db2.gz HZKBNMWCKPTSON-UHFFFAOYSA-N 1 0 456.634 5.176 50 0 JKAARO Cc1cccc(C[NH+]2CCC(CNC(=O)c3cc4c(s3)c3ccccc3nc4Cl)CC2)c1 ZINC000020286184 524387675 /nfs/dbraw/zinc/38/76/75/524387675.db2.gz DBNXKMAMUATQSX-UHFFFAOYSA-N 1 0 464.034 6.053 50 0 JKAARO Cc1cccc(CNC(=O)C2CC[NH+](Cc3cc4ccccc4n3Cc3ccc(Cl)cc3)CC2)c1 ZINC000046055515 524412909 /nfs/dbraw/zinc/41/29/09/524412909.db2.gz YBDRSWGBHRMGLH-UHFFFAOYSA-N 1 0 486.059 6.180 50 0 JKAARO Cc1cccc(CNC(=O)C2CC[NH+](Cc3cc4ccccc4n3Cc3ccccc3)CC2)c1 ZINC000046055449 524413125 /nfs/dbraw/zinc/41/31/25/524413125.db2.gz RULCRVHWKSAKAK-UHFFFAOYSA-N 1 0 451.614 5.526 50 0 JKAARO Cc1cccc(CNC(=O)C2CC[NH+](Cc3cc4ccccc4n3Cc3ccc(F)cc3)CC2)c1 ZINC000046055946 524413495 /nfs/dbraw/zinc/41/34/95/524413495.db2.gz UXKYXPRKTZZBDH-UHFFFAOYSA-N 1 0 469.604 5.666 50 0 JKAARO Cc1cc(C)cc(NC(=O)Cn2cc(-c3nnc(C[NH+]4CCC(C)CC4)o3)c3ccccc32)c1 ZINC000033129379 524423492 /nfs/dbraw/zinc/42/34/92/524423492.db2.gz XSEWFURPXUDRAV-UHFFFAOYSA-N 1 0 457.578 5.179 50 0 JKAARO COc1ccccc1C[N@@H+](Cc1ccc(C(O)(c2cccc(F)c2)c2cccc(F)c2)o1)CC(C)C ZINC000036167826 524442857 /nfs/dbraw/zinc/44/28/57/524442857.db2.gz WZCPPWJFMFEQDZ-UHFFFAOYSA-N 1 0 491.578 6.509 50 0 JKAARO COc1ccccc1CNC(=O)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccccc2C)CC1 ZINC000046055798 524459703 /nfs/dbraw/zinc/45/97/03/524459703.db2.gz SMSRKZOTESNXJM-UHFFFAOYSA-N 1 0 481.640 5.535 50 0 JKAARO Cc1cccc(Cn2c(C[NH+]3CCC(C(=O)NCc4ccc5c(c4)OCO5)CC3)cc3ccccc32)c1 ZINC000046055875 524490236 /nfs/dbraw/zinc/49/02/36/524490236.db2.gz OQZLRKXEGFBCJQ-UHFFFAOYSA-N 1 0 495.623 5.255 50 0 JKAARO Cc1cccc(Cn2c(C[NH+]3CCC(C(=O)NC4CCCCCCC4)CC3)cc3ccccc32)c1 ZINC000046055866 524491210 /nfs/dbraw/zinc/49/12/10/524491210.db2.gz HKFPWHAJASMMHO-UHFFFAOYSA-N 1 0 471.689 6.439 50 0 JKAARO Cc1cccc(Cn2c(C[NH+]3CCC(C(=O)NC[C@H](C)c4ccccc4)CC3)cc3ccccc32)c1 ZINC000046055895 524491422 /nfs/dbraw/zinc/49/14/22/524491422.db2.gz DOUZGAQQMQGPOG-VWLOTQADSA-N 1 0 479.668 6.130 50 0 JKAARO Cc1cccc(Cn2c(C[NH+]3CCC(C(=O)NCc4ccccc4)CC3)cc3ccccc32)c1 ZINC000046055862 524491537 /nfs/dbraw/zinc/49/15/37/524491537.db2.gz CQAVWVBCQCZTNK-UHFFFAOYSA-N 1 0 451.614 5.526 50 0 JKAARO C[C@@H](CCc1ccccc1)[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)c(Br)c1 ZINC000013726615 524536820 /nfs/dbraw/zinc/53/68/20/524536820.db2.gz GFFWCWGHPRKOJW-SFHVURJKSA-N 1 0 458.827 6.792 50 0 JKAARO COc1ccccc1O[C@@H](CCN1CC[NH+](Cc2ccccc2)CC1)c1ccccc1Cl ZINC000034726957 524690073 /nfs/dbraw/zinc/69/00/73/524690073.db2.gz VKFLPIKXXIMUOC-VWLOTQADSA-N 1 0 451.010 5.677 50 0 JKAARO COc1ccccc1Oc1c(C[N@H+](CC(C)C)C[C@@H](O)COC(C)C)c(-c2ccccc2)nn1C ZINC000036305682 524693832 /nfs/dbraw/zinc/69/38/32/524693832.db2.gz CIPMHZHZLWZOJC-HSZRJFAPSA-N 1 0 481.637 5.132 50 0 JKAARO COc1ccccc1Oc1c(C[N@H+](CC(C)C)C[C@H](O)COCC(C)C)c(-c2ccccc2)nn1C ZINC000036305694 524694383 /nfs/dbraw/zinc/69/43/83/524694383.db2.gz CNWHEUSYTKVOGB-DEOSSOPVSA-N 1 0 495.664 5.380 50 0 JKAARO COc1ccccc1Oc1c(C[N@H+](C[C@H](O)Cc2ccccc2)C2CC2)c(C)nn1-c1ccccc1 ZINC000036302112 524695444 /nfs/dbraw/zinc/69/54/44/524695444.db2.gz HSWHGPMTPQKIRN-AREMUKBSSA-N 1 0 483.612 5.550 50 0 JKAARO COc1ccccc1Oc1c(C[N@H+](C[C@H](O)Cc2ccccc2)C2CC2)c(-c2ccccc2)nn1C ZINC000036305833 524696076 /nfs/dbraw/zinc/69/60/76/524696076.db2.gz MDBWPPWLCAXFNE-RUZDIDTESA-N 1 0 483.612 5.456 50 0 JKAARO COc1ccccc1Oc1ccnc(-c2ccc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc2)n1 ZINC000033130377 524696894 /nfs/dbraw/zinc/69/68/94/524696894.db2.gz NNUYBCUPHIPUJU-UHFFFAOYSA-N 1 0 494.595 5.339 50 0 JKAARO Cc1ccc(Cl)c(O[C@@H](CC[NH+]2CCN(c3ccc(F)cc3)CC2)c2ccc(F)cc2)c1 ZINC000034726818 524713771 /nfs/dbraw/zinc/71/37/71/524713771.db2.gz GHAJELIYXDLBKA-VWLOTQADSA-N 1 0 456.964 6.259 50 0 JKAARO Cc1cc(CNC(=O)COc2ccc(-c3csc4ccccc34)cc2C[NH+]2CCCC2)on1 ZINC000012279222 524721652 /nfs/dbraw/zinc/72/16/52/524721652.db2.gz XMUCIWYSYRITFM-UHFFFAOYSA-N 1 0 461.587 5.156 50 0 JKAARO Cc1ccc(Cl)cc1N1CC[NH+](CCCNc2ncnc3onc(-c4ccc(Cl)cc4)c32)CC1 ZINC000008603665 524735268 /nfs/dbraw/zinc/73/52/68/524735268.db2.gz UQZGECLKBFAAED-UHFFFAOYSA-N 1 0 497.430 5.524 50 0 JKAARO Cc1ccc(Cl)cc1NC(=O)N(Cc1ccc2c(c1)OCO2)C1CC[NH+](Cc2ccccc2)CC1 ZINC000008619111 524746500 /nfs/dbraw/zinc/74/65/00/524746500.db2.gz UAIXQGYVVZZPNI-UHFFFAOYSA-N 1 0 492.019 6.076 50 0 JKAARO Cc1ccc(Cl)cc1NC(=O)Cn1cc(-c2nnc(C[NH+]3CCC(C)CC3)o2)c2ccccc21 ZINC000033278794 524748109 /nfs/dbraw/zinc/74/81/09/524748109.db2.gz PDCLPULEOKCCKJ-UHFFFAOYSA-N 1 0 477.996 5.524 50 0 JKAARO Cc1ccc(Cn2c(C[NH+]3CCC(C(=O)NCCc4ccco4)CC3)cc3ccccc32)cc1 ZINC000046055920 524767680 /nfs/dbraw/zinc/76/76/80/524767680.db2.gz JRHABGVFVWHMOC-UHFFFAOYSA-N 1 0 455.602 5.162 50 0 JKAARO Cc1ccc(Cn2cc([C@@H](CC(=O)NCC[NH+]3CCCC3)c3ccc(F)cc3)c3ccccc32)cc1 ZINC000035504234 524771985 /nfs/dbraw/zinc/77/19/85/524771985.db2.gz MFAJRFPNAGTNTM-NDEPHWFRSA-N 1 0 483.631 5.871 50 0 JKAARO Cc1cccc(Oc2c(C[N@@H+](C[C@@H](O)COCC(C)C)C3CC3)c(-c3ccccc3)nn2C)c1 ZINC000036306439 524785472 /nfs/dbraw/zinc/78/54/72/524785472.db2.gz OCAFUBNEJYIGEN-XMMPIXPASA-N 1 0 463.622 5.186 50 0 JKAARO Cc1cccc(Oc2c(C[N@@H+](C[C@H](O)COC(C)C)C(C)C)c(-c3ccccc3)nn2C)c1 ZINC000036306388 524785672 /nfs/dbraw/zinc/78/56/72/524785672.db2.gz SSBZTAZYCVQFPS-QHCPKHFHSA-N 1 0 451.611 5.184 50 0 JKAARO COc1ccc(OC)c(C[NH+]2CCC([C@@H](Cc3ccccc3F)N(C)C(=O)c3ccoc3C)CC2)c1 ZINC000014882292 524824049 /nfs/dbraw/zinc/82/40/49/524824049.db2.gz JUFSLBGPSRKVIW-HHHXNRCGSA-N 1 0 494.607 5.340 50 0 JKAARO Cc1cccc([C@@H](CC(=O)NCC[NH+]2CCCCC2)c2cn(Cc3ccc(F)cc3)c3ccccc23)c1 ZINC000033632766 524834804 /nfs/dbraw/zinc/83/48/04/524834804.db2.gz DVNNGYKXZOHBRF-GDLZYMKVSA-N 1 0 497.658 6.261 50 0 JKAARO Cc1ccc(F)cc1NC(=O)COc1ccc(-c2ccc3c(c2)OCO3)cc1C[N@H+]1CCC[C@@H](C)C1 ZINC000014991446 524858263 /nfs/dbraw/zinc/85/82/63/524858263.db2.gz PCRVGHCVRUZNRJ-LJQANCHMSA-N 1 0 490.575 5.779 50 0 JKAARO Cc1cccc([C@H](CC(=O)NCC[NH+](C)C)c2cn(Cc3ccc(F)cc3)c3ccccc23)c1 ZINC000033560363 524879005 /nfs/dbraw/zinc/87/90/05/524879005.db2.gz MJZACMVKKCYYRU-SANMLTNESA-N 1 0 457.593 5.337 50 0 JKAARO C[C@H](NC(=O)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccccc2Cl)CC1)c1ccccc1 ZINC000046055709 524912550 /nfs/dbraw/zinc/91/25/50/524912550.db2.gz SCNUWMGGXXGCJC-QFIPXVFZSA-N 1 0 486.059 6.432 50 0 JKAARO COc1ccc(Oc2c(C[N@H+](C[C@@H](O)Cc3ccccc3)C(C)C)c(-c3ccccc3)nn2C)cc1 ZINC000036306100 524988695 /nfs/dbraw/zinc/98/86/95/524988695.db2.gz IBDZKWFUZIXBEX-VWLOTQADSA-N 1 0 485.628 5.702 50 0 JKAARO COc1ccc(Oc2c(C[N@H+](C[C@@H](O)Cc3ccccc3)CC3CC3)c(C)nn2-c2ccccc2)cc1 ZINC000036304623 524990114 /nfs/dbraw/zinc/99/01/14/524990114.db2.gz NNSBCKQMPKWOCF-MHZLTWQESA-N 1 0 497.639 5.797 50 0 JKAARO COc1ccc(Oc2c(C[N@H+](CC(C)C)C[C@@H](O)COC(C)C)c(-c3ccccc3)nn2C)cc1 ZINC000036305937 524990341 /nfs/dbraw/zinc/99/03/41/524990341.db2.gz CFBPMXBHXIQEGH-HSZRJFAPSA-N 1 0 481.637 5.132 50 0 JKAARO COc1ccc(Oc2c(C[N@H+](C[C@H](O)COC(C)(C)C)C3CC3)c(-c3ccccc3)nn2C)cc1 ZINC000036306210 524991011 /nfs/dbraw/zinc/99/10/11/524991011.db2.gz LMSYBODRIUOUGW-QFIPXVFZSA-N 1 0 479.621 5.028 50 0 JKAARO COc1ccc(Oc2c(C[N@H+](CC(C)C)C[C@@H](O)COCC(C)C)c(-c3ccccc3)nn2C)cc1 ZINC000036305952 524991060 /nfs/dbraw/zinc/99/10/60/524991060.db2.gz OGPYMBGMTWYCTG-XMMPIXPASA-N 1 0 495.664 5.380 50 0 JKAARO COc1ccc(Oc2c(C[N@H+](C[C@H](O)Cc3ccccc3)C3CC3)c(-c3ccccc3)nn2C)cc1 ZINC000036306190 524992338 /nfs/dbraw/zinc/99/23/38/524992338.db2.gz YTBDWURRJLQOON-RUZDIDTESA-N 1 0 483.612 5.456 50 0 JKAARO COc1ccc(Oc2c(C[N@H+](C[C@H](O)Cc3ccccc3)C(C)C)c(-c3ccccc3)nn2C)cc1 ZINC000036306097 524992748 /nfs/dbraw/zinc/99/27/48/524992748.db2.gz IBDZKWFUZIXBEX-RUZDIDTESA-N 1 0 485.628 5.702 50 0 JKAARO Cc1ccccc1-c1ccc(C[N@H+]2CCc3nnc([C@H](C)NC(=O)CCc4ccccc4)n3CC2)cc1 ZINC000014879312 525003049 /nfs/dbraw/zinc/00/30/49/525003049.db2.gz RFAIKTJOUXPGMB-DEOSSOPVSA-N 1 0 493.655 5.122 50 0 JKAARO Cc1ccccc1-c1cnc(-c2ccncc2)nc1[C@H]1CCC[N@H+](Cc2ccc(OCCO)cc2)C1 ZINC000014996435 525007232 /nfs/dbraw/zinc/00/72/32/525007232.db2.gz CCGHPUORPHATPA-VWLOTQADSA-N 1 0 480.612 5.265 50 0 JKAARO C[C@@H](NC(=O)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccccc2Cl)CC1)c1ccccc1 ZINC000046055711 525068703 /nfs/dbraw/zinc/06/87/03/525068703.db2.gz SCNUWMGGXXGCJC-JOCHJYFZSA-N 1 0 486.059 6.432 50 0 JKAARO C[C@@H](NC(=O)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000046055511 525069284 /nfs/dbraw/zinc/06/92/84/525069284.db2.gz REELBSYLGLVCET-JOCHJYFZSA-N 1 0 486.059 6.432 50 0 JKAARO Cc1ccc(NC(=O)CSC2=NC3(CC[NH+](C)CC3)N=C2c2ccc(Br)cc2)c(C)c1 ZINC000035397186 525072910 /nfs/dbraw/zinc/07/29/10/525072910.db2.gz VNTXZPZMJOYYAS-UHFFFAOYSA-N 1 0 499.478 5.061 50 0 JKAARO Cc1ccc(NC(=O)CSC2=NC3(CC[NH+](C)CC3)N=C2c2ccc(Br)cc2)cc1C ZINC000045912802 525073577 /nfs/dbraw/zinc/07/35/77/525073577.db2.gz IDFQNUYVLHPEQW-UHFFFAOYSA-N 1 0 499.478 5.061 50 0 JKAARO Cc1cc(N2CC[NH+](Cc3ccccc3)CC2)n2nc(C(F)(F)F)c(-c3ccc(F)cc3)c2n1 ZINC000021799094 525080098 /nfs/dbraw/zinc/08/00/98/525080098.db2.gz RBXUPBCLRNTONQ-UHFFFAOYSA-N 1 0 469.486 5.185 50 0 JKAARO Cc1ccccc1C[NH+]1CCC([C@@H](Cc2ccccc2)N(C(=O)c2ccccn2)C2CC2)CC1 ZINC000014958548 525136645 /nfs/dbraw/zinc/13/66/45/525136645.db2.gz QFAUCXHKKWVORH-GDLZYMKVSA-N 1 0 453.630 5.518 50 0 JKAARO Cc1ccccc1CNC(=O)C1CC[NH+](Cc2cc3ccccc3n2Cc2cccc(Cl)c2)CC1 ZINC000046055670 525149376 /nfs/dbraw/zinc/14/93/76/525149376.db2.gz KVAAWHLBJAWOLQ-UHFFFAOYSA-N 1 0 486.059 6.180 50 0 JKAARO Cc1ccccc1Cn1c(C[NH+]2CCC(C(=O)N(C)Cc3ccco3)CC2)cc2ccccc21 ZINC000046055767 525208673 /nfs/dbraw/zinc/20/86/73/525208673.db2.gz MJDHKUFNELZWID-UHFFFAOYSA-N 1 0 455.602 5.462 50 0 JKAARO Cc1ccccc1Cn1c(C[NH+]2CCC(C(=O)N[C@H]3CCCc4ccccc43)CC2)cc2ccccc21 ZINC000046055808 525209378 /nfs/dbraw/zinc/20/93/78/525209378.db2.gz FDMZKHLOAIDPGW-HKBQPEDESA-N 1 0 491.679 6.404 50 0 JKAARO Cc1ccccc1Cn1c(C[NH+]2CCC(C(=O)Nc3ccc(C(C)C)cc3)CC2)cc2ccccc21 ZINC000046055804 525209686 /nfs/dbraw/zinc/20/96/86/525209686.db2.gz PCEPVUUALDICPT-UHFFFAOYSA-N 1 0 479.668 6.972 50 0 JKAARO Cc1ccccc1Cn1c(C[NH+]2CCC(C(=O)NCc3ccc(F)cc3)CC2)cc2ccccc21 ZINC000046055802 525209862 /nfs/dbraw/zinc/20/98/62/525209862.db2.gz WEBWFKBFEAPADD-UHFFFAOYSA-N 1 0 469.604 5.666 50 0 JKAARO Cc1ccccc1Cn1c(C[NH+]2CCC(C(=O)NCc3ccc4c(c3)OCO4)CC2)cc2ccccc21 ZINC000046055788 525210006 /nfs/dbraw/zinc/21/00/06/525210006.db2.gz JTBNTXMDWXOSLJ-UHFFFAOYSA-N 1 0 495.623 5.255 50 0 JKAARO Cc1ccc(NC(=O)[C@H](C)Sc2nc3sc4c(c3c(=O)n2CCC[NH+](C)C)CCCC4)c(C)c1 ZINC000016796273 525214879 /nfs/dbraw/zinc/21/48/79/525214879.db2.gz ZLDUOKQQSSXUEG-SFHVURJKSA-N 1 0 498.718 5.025 50 0 JKAARO C[C@H]([NH2+]C1CCN(c2ccc(NC(=O)Cc3cccc(Cl)c3)cc2)CC1)c1cccs1 ZINC000014983952 525296059 /nfs/dbraw/zinc/29/60/59/525296059.db2.gz HALTXMUZDRLBHX-SFHVURJKSA-N 1 0 454.039 5.902 50 0 JKAARO Cc1ccccc1OC[C@H](O)C[N@@H+](Cc1ccccc1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000036146594 525312450 /nfs/dbraw/zinc/31/24/50/525312450.db2.gz OUPYRAFXYKMKCL-PKTZIBPZSA-N 1 0 499.438 5.737 50 0 JKAARO COc1ccc([C@H]2CC(c3ccc(Br)cc3)=NN2C(=O)CC[NH+]2CCCCC2)cc1 ZINC000008922034 525404516 /nfs/dbraw/zinc/40/45/16/525404516.db2.gz NLENERTWFIKXKF-HSZRJFAPSA-N 1 0 470.411 5.011 50 0 JKAARO C[C@H]([NH2+]Cc1c(OCc2ccccc2Cl)ccc2ccccc21)C12CC3CC(CC(C3)C1)C2 ZINC000016576112 525427140 /nfs/dbraw/zinc/42/71/40/525427140.db2.gz FKFVOYCSJGMUQP-PWHYTNLZSA-N 1 0 460.061 7.767 50 0 JKAARO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@H]3c1ccc(OC)c(CSc2nnc(-c3ccccc3)o2)c1 ZINC000020375444 525486572 /nfs/dbraw/zinc/48/65/72/525486572.db2.gz XBBYHSNKDURWIU-RUZDIDTESA-N 1 0 498.608 5.763 50 0 biogenic JKAARO Cc1cc2c([nH]c(C(=O)NCC[NH+](C)C)c2-c2ccccc2)c(NC(=O)Nc2ccccc2)c1 ZINC000033127276 525588435 /nfs/dbraw/zinc/58/84/35/525588435.db2.gz HTXBWNSYSSUFEA-UHFFFAOYSA-N 1 0 455.562 5.079 50 0 JKAARO COc1ccc2c(c1)[nH]c(C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c2Sc1ccccc1 ZINC000020466793 525598130 /nfs/dbraw/zinc/59/81/30/525598130.db2.gz IDZCMURIEJQXDX-KDURUIRLSA-N 1 0 451.636 5.426 50 0 JKAARO Cc1c(C(=O)NCC[NH+]2CCCCCC2)oc2ccc3c(c12)C(=O)C[C@](C)(c1ccc(Cl)cc1)O3 ZINC000020418066 525611827 /nfs/dbraw/zinc/61/18/27/525611827.db2.gz BGXGYGMBCCREMA-MUUNZHRXSA-N 1 0 495.019 5.881 50 0 JKAARO COc1ccc2ncc3c(sc(C(=O)NCC[NH+]4CCC(C)CC4)c3-c3ccccc3)c2c1 ZINC000045944036 525682922 /nfs/dbraw/zinc/68/29/22/525682922.db2.gz BMBDKQDFTISAHH-UHFFFAOYSA-N 1 0 459.615 5.587 50 0 JKAARO Cc1cc2oc(C(=O)NC[C@H](c3ccc(C(C)(C)C)cc3)[NH+]3CCCCC3)cc(=O)c2cc1C ZINC000028402765 525693034 /nfs/dbraw/zinc/69/30/34/525693034.db2.gz BIKZLZUSEMCQFA-XMMPIXPASA-N 1 0 460.618 5.664 50 0 JKAARO Cc1ccc(-c2c3nc(C)cc(N4CC[NH+](Cc5ccccc5)CC4)n3nc2C(F)(F)F)cc1 ZINC000021799356 525709299 /nfs/dbraw/zinc/70/92/99/525709299.db2.gz GZXHHXJRWXNEIS-UHFFFAOYSA-N 1 0 465.523 5.354 50 0 JKAARO Cc1ccc(-c2cc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)c3cc(Cl)ccc3n2)c(C)c1 ZINC000020357088 525723229 /nfs/dbraw/zinc/72/32/29/525723229.db2.gz HUWZNTSEKPLXKZ-UHFFFAOYSA-N 1 0 484.043 6.566 50 0 JKAARO Cc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)OC[C@@H]4CCC[N@@H+]5CCCC[C@H]45)c3n2)cc1 ZINC000012461952 525732207 /nfs/dbraw/zinc/73/22/07/525732207.db2.gz CEBFMSUINKFTEF-GHTZIAJQSA-N 1 0 472.511 5.145 50 0 JKAARO COc1cccc(-n2c(SC[C@@H]3CCCO3)nnc2C2CC[NH+](Cc3ccc(C)cc3)CC2)c1 ZINC000012452270 525748133 /nfs/dbraw/zinc/74/81/33/525748133.db2.gz XAFWQXPUYDBKSH-VWLOTQADSA-N 1 0 478.662 5.235 50 0 JKAARO COc1cccc(-n2c(SC[C@@H]3CCCO3)nnc2C2CC[NH+](Cc3sccc3C)CC2)c1 ZINC000012247477 525748385 /nfs/dbraw/zinc/74/83/85/525748385.db2.gz AKAFUJFZVSYIAF-QFIPXVFZSA-N 1 0 484.691 5.297 50 0 JKAARO COc1cccc(-n2c(SC[C@H]3CCCO3)nnc2C2CC[NH+](Cc3ccccc3Cl)CC2)c1 ZINC000012242800 525748800 /nfs/dbraw/zinc/74/88/00/525748800.db2.gz ZXWBMSRADUTXLD-HSZRJFAPSA-N 1 0 499.080 5.580 50 0 JKAARO COc1cccc(-n2c(SCc3cccc(F)c3)nnc2C2CC[NH+](Cc3cccs3)CC2)c1 ZINC000012242656 525749263 /nfs/dbraw/zinc/74/92/63/525749263.db2.gz HDABBLCGEDKVEL-UHFFFAOYSA-N 1 0 494.661 6.148 50 0 JKAARO COc1cccc(C(=O)N(CC[NH+]2CCCCC2)Cc2csc(COc3cccc(C)c3C)n2)c1 ZINC000036116606 525792407 /nfs/dbraw/zinc/79/24/07/525792407.db2.gz YMIPMKQMCIZHST-UHFFFAOYSA-N 1 0 493.673 5.476 50 0 JKAARO Cc1ccc(-c2nc3nc(-c4ccccc4)oc3c(N3CC[NH+](CCc4ccncc4)CC3)n2)cc1 ZINC000041155315 525826780 /nfs/dbraw/zinc/82/67/80/525826780.db2.gz LFWVQCUCAJKOEW-UHFFFAOYSA-N 1 0 476.584 5.020 50 0 JKAARO Cc1ccc(-c2nc3nc(-c4ccccc4)oc3c(N3CCC[N@H+](CCc4ccncc4)CC3)n2)cc1 ZINC000041155318 525826914 /nfs/dbraw/zinc/82/69/14/525826914.db2.gz SMORXJJMXPDEMM-UHFFFAOYSA-N 1 0 490.611 5.410 50 0 JKAARO Cc1ccc(-c2ncn(C3CCCCC3)c2-c2ccc(C(=O)NCCC[NH+]3CCCCC3)o2)cc1 ZINC000065036835 525838015 /nfs/dbraw/zinc/83/80/15/525838015.db2.gz OFQKKRQSLUXHLZ-UHFFFAOYSA-N 1 0 474.649 6.230 50 0 JKAARO Cc1ccc(-c2noc(CC[N@@H+](Cc3ccco3)C[C@@H](O)COc3ccccc3C)n2)cc1Cl ZINC000036147836 525877302 /nfs/dbraw/zinc/87/73/02/525877302.db2.gz VSROSPJJAJHAHJ-OAQYLSRUSA-N 1 0 481.980 5.084 50 0 JKAARO COc1cccc(C[NH+]2CCC(N(C(=O)c3cccc(Cl)c3)c3ccc(C)cc3)CC2)c1OC ZINC000034682979 525933717 /nfs/dbraw/zinc/93/37/17/525933717.db2.gz OMBVSKAIFVZUCZ-UHFFFAOYSA-N 1 0 479.020 5.977 50 0 JKAARO CSc1ccc(CNC(=O)C2CC[NH+](Cc3cc4ccccc4n3Cc3cccc(C)c3)CC2)cc1 ZINC000046055910 525993104 /nfs/dbraw/zinc/99/31/04/525993104.db2.gz HUUHXNKCQAFLDS-UHFFFAOYSA-N 1 0 497.708 6.248 50 0 JKAARO C[C@H](C(=O)NCCC[NH+]1[C@H](C)CCC[C@H]1C)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000013369293 526046134 /nfs/dbraw/zinc/04/61/34/526046134.db2.gz LSIWKYXVFVLBMW-VAMGGRTRSA-N 1 0 453.030 5.687 50 0 JKAARO Cc1ccc(C(=O)N(CC[NH+](C)C)Cc2cc3ccc(F)cc3nc2-c2ccccc2C)cc1 ZINC000014982362 526072630 /nfs/dbraw/zinc/07/26/30/526072630.db2.gz INDMZZSZVQYNON-UHFFFAOYSA-N 1 0 455.577 5.862 50 0 JKAARO Cc1ccc(C(=O)N2CCCC[C@@H]2CCOc2ccc(C[N@H+](C)Cc3cccs3)cc2)cc1 ZINC000014989753 526091659 /nfs/dbraw/zinc/09/16/59/526091659.db2.gz LNQVYSINXXADOT-RUZDIDTESA-N 1 0 462.659 6.152 50 0 JKAARO Cc1ccc(C(=O)N2CCC[C@@H](c3cccc(C(=O)N4CC[NH+](C5CCCCC5)CC4)c3)C2)cc1 ZINC000033034930 526098740 /nfs/dbraw/zinc/09/87/40/526098740.db2.gz SJJNILAQDNMYDI-HHHXNRCGSA-N 1 0 473.661 5.105 50 0 JKAARO Cc1ccc(C(=O)N2CCC[C@H](COc3ccc(C[N@H+](C)CCc4ccccc4)cc3)C2)s1 ZINC000014961675 526104634 /nfs/dbraw/zinc/10/46/34/526104634.db2.gz HGBFLLPSTRVPHL-VWLOTQADSA-N 1 0 462.659 5.662 50 0 JKAARO C[C@H](c1cccs1)[N@H+](C)Cc1cc(-c2ncccn2)ccc1OCC(=O)Nc1ccc2c(c1)CCC2 ZINC000014881802 526152999 /nfs/dbraw/zinc/15/29/99/526152999.db2.gz IWWMJGYSWWVUET-HXUWFJFHSA-N 1 0 498.652 5.904 50 0 JKAARO Cc1ccc(C(=O)NC[C@@H](C)Oc2cccc(C[N@H+]3CC=C(c4ccc(F)cc4)CC3)c2)s1 ZINC000012452576 526172663 /nfs/dbraw/zinc/17/26/63/526172663.db2.gz YQEOUMUPSZTUCI-LJQANCHMSA-N 1 0 464.606 5.682 50 0 JKAARO COc1cccc(O[C@H](CCN2CC[NH+](Cc3ccccc3)CC2)c2cccc(Cl)c2)c1 ZINC000034728549 526240441 /nfs/dbraw/zinc/24/04/41/526240441.db2.gz JFJIZZLPYQQIES-HHHXNRCGSA-N 1 0 451.010 5.677 50 0 JKAARO COc1cccc(Oc2c(C[N@H+](C[C@@H](O)COCC(C)C)C(C)C)c(-c3ccccc3)nn2C)c1 ZINC000036305431 526240961 /nfs/dbraw/zinc/24/09/61/526240961.db2.gz OWFZEDLUGJSNSI-HSZRJFAPSA-N 1 0 481.637 5.132 50 0 JKAARO COc1cccc(Oc2c(C[N@H+](C[C@H](O)COC(C)(C)C)C(C)C)c(-c3ccccc3)nn2C)c1 ZINC000036305452 526241462 /nfs/dbraw/zinc/24/14/62/526241462.db2.gz PASUJWBQTKVVOT-QFIPXVFZSA-N 1 0 481.637 5.274 50 0 JKAARO Cc1ccc(C)c(-c2csc3[nH]c(C[N@H+](CC(C)C)C[C@@H](O)Cc4ccccc4)nc(=O)c23)c1 ZINC000036206494 526256398 /nfs/dbraw/zinc/25/63/98/526256398.db2.gz SDQAFDJZLRZEAK-QFIPXVFZSA-N 1 0 475.658 5.330 50 0 JKAARO O[C@H](CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)Oc1ccc(Cl)c(Cl)c1 ZINC000020421519 526273055 /nfs/dbraw/zinc/27/30/55/526273055.db2.gz TWVNDYYTILLVHF-DEOSSOPVSA-N 1 0 457.401 5.098 50 0 JKAARO O=C(NCCCc1ccccc1)C1CC[NH+](Cc2cc3ccccc3n2Cc2cccc(F)c2)CC1 ZINC000046056002 526276846 /nfs/dbraw/zinc/27/68/46/526276846.db2.gz JQJDEJCOXJZEDE-UHFFFAOYSA-N 1 0 483.631 5.790 50 0 JKAARO O[C@H](COCc1ccccc1)C[N@@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccccc2F)=NO1 ZINC000036146247 526285210 /nfs/dbraw/zinc/28/52/10/526285210.db2.gz ATHVCOCDINHFLE-ZEQRLZLVSA-N 1 0 482.983 5.052 50 0 JKAARO O[C@H](COCc1ccco1)C[N@@H+](Cc1ccccc1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000036146593 526287383 /nfs/dbraw/zinc/28/73/83/526287383.db2.gz DVHMFWPEHCPBRK-RBBKRZOGSA-N 1 0 489.399 5.159 50 0 JKAARO O[C@H](COc1ccccc1)C[N@@H+](Cc1ccccc1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000036146591 526291518 /nfs/dbraw/zinc/29/15/18/526291518.db2.gz ZOVLEOYLRJQEPK-JTHBVZDNSA-N 1 0 485.411 5.429 50 0 JKAARO O=C(C1CC[NH+](Cc2cc3ccccc3n2Cc2cccc(Cl)c2)CC1)N1CCc2ccccc2C1 ZINC000046055562 526302526 /nfs/dbraw/zinc/30/25/26/526302526.db2.gz PRHPAPOGXCNHIB-UHFFFAOYSA-N 1 0 498.070 6.140 50 0 JKAARO Fc1ccc(-c2nnc(N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c3ccccc32)cc1F ZINC000012496950 526316690 /nfs/dbraw/zinc/31/66/90/526316690.db2.gz MOBSBMPWDSNVRH-UHFFFAOYSA-N 1 0 492.573 6.487 50 0 JKAARO O=C(NCCc1ccc(F)cc1)c1cc2cc(C3(O)CC[NH+](Cc4ccc(F)cc4)CC3)ccc2o1 ZINC000014992678 526409141 /nfs/dbraw/zinc/40/91/41/526409141.db2.gz DRCAFDAPWWHVBQ-UHFFFAOYSA-N 1 0 490.550 5.167 50 0 JKAARO O=C(NCCc1ccccc1)C1CC[NH+](Cc2cc3ccccc3n2Cc2cccc(Cl)c2)CC1 ZINC000008602116 526422297 /nfs/dbraw/zinc/42/22/97/526422297.db2.gz QBJSECCFGHEGBF-UHFFFAOYSA-N 1 0 486.059 5.914 50 0 aggregator JKAARO O=C(OC[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2n1 ZINC000012374699 526423041 /nfs/dbraw/zinc/42/30/41/526423041.db2.gz PMRMMWVUQKTXJX-OXQOHEQNSA-N 1 0 492.929 5.490 50 0 JKAARO O=C(NCCc1ccccc1)[C@@H]1C[C@H](COc2ccc3c(c2)CCC3)C[N@H+](Cc2ccccc2)C1 ZINC000014750106 526425122 /nfs/dbraw/zinc/42/51/22/526425122.db2.gz VEBQUWMSBUNPAS-LITSAYRRSA-N 1 0 468.641 5.051 50 0 JKAARO O=C(NCCc1cccs1)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1 ZINC000046055551 526442481 /nfs/dbraw/zinc/44/24/81/526442481.db2.gz AGAPVCAZOPKABB-UHFFFAOYSA-N 1 0 492.088 5.975 50 0 JKAARO c1ccc(Cn2c(SC[C@@H]3CCCO3)nnc2C2CC[NH+](Cc3cccc4cccnc43)CC2)cc1 ZINC000014956340 526479525 /nfs/dbraw/zinc/47/95/25/526479525.db2.gz FWNOYHFCTVATBB-SANMLTNESA-N 1 0 499.684 5.525 50 0 JKAARO c1ccc2c(c1)CCC[C@@H]2[NH+]1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccncc3)=NN12 ZINC000013811004 526501528 /nfs/dbraw/zinc/50/15/28/526501528.db2.gz XVPXUUXMIRFENY-RRPNLBNLSA-N 1 0 450.586 5.495 50 0 JKAARO O=C(c1cc(C2CC2)nc2ccccc21)N(Cc1cccc(OCC[NH+]2CCCCC2)c1)C1CC1 ZINC000014957456 526603303 /nfs/dbraw/zinc/60/33/03/526603303.db2.gz DRHLDSWAZWUVFL-UHFFFAOYSA-N 1 0 469.629 5.782 50 0 JKAARO O=C(NCc1ccc(F)cc1)C1CC[NH+](Cc2cc3ccccc3n2Cc2cccc(Cl)c2)CC1 ZINC000046055627 526670458 /nfs/dbraw/zinc/67/04/58/526670458.db2.gz YXJQTXDEVACWPF-UHFFFAOYSA-N 1 0 490.022 6.011 50 0 JKAARO O=C(c1ccc(N2CCC([N@@H+]3CCCC[C@H]3c3ccccn3)CC2)cc1)N1CCc2ccccc2C1 ZINC000014978625 526696537 /nfs/dbraw/zinc/69/65/37/526696537.db2.gz IXTPOZCRTUUVRQ-PMERELPUSA-N 1 0 480.656 5.476 50 0 JKAARO O=C(NCc1cccc(Cl)c1)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccccc2)CC1 ZINC000046055428 526714323 /nfs/dbraw/zinc/71/43/23/526714323.db2.gz APHZRDNVBHHQKO-UHFFFAOYSA-N 1 0 472.032 5.871 50 0 JKAARO Cc1oc(-c2ccc(Cl)cc2)nc1C[NH+]1CCC(C(=O)NCc2ccccc2Cl)CC1 ZINC000009731709 526731946 /nfs/dbraw/zinc/73/19/46/526731946.db2.gz WSFKVEJHTGVVHK-UHFFFAOYSA-N 1 0 458.389 5.485 50 0 JKAARO O=C(CN1CC[NH+](CCCc2c[nH]c3ccc(F)cc23)CC1)N(c1ccccc1)C1CCCCC1 ZINC000020421574 526770919 /nfs/dbraw/zinc/77/09/19/526770919.db2.gz QFHZTAFMZCTOBW-UHFFFAOYSA-N 1 0 476.640 5.223 50 0 JKAARO Cc1occc1C(=O)N(C)[C@@H](Cc1ccccc1)C1CC[NH+](Cc2cccn2-c2ccccn2)CC1 ZINC000012245291 526801015 /nfs/dbraw/zinc/80/10/15/526801015.db2.gz VVJNLSWCEUDPLH-NDEPHWFRSA-N 1 0 482.628 5.369 50 0 JKAARO Cc1occc1C(=O)N(C)[C@H](Cc1ccccc1)C1CC[NH+](Cc2cccn2-c2ccccn2)CC1 ZINC000012245292 526802699 /nfs/dbraw/zinc/80/26/99/526802699.db2.gz VVJNLSWCEUDPLH-MUUNZHRXSA-N 1 0 482.628 5.369 50 0 JKAARO Cc1occc1C(=O)N(C)[C@H](Cc1ccccc1F)C1CC[NH+](Cc2cccc3ncccc23)CC1 ZINC000012513585 526803322 /nfs/dbraw/zinc/80/33/22/526803322.db2.gz KUEBJFLETGULPU-GDLZYMKVSA-N 1 0 485.603 5.871 50 0 JKAARO O=C(c1ccccn1)N([C@H](Cc1ccccc1)C1CC[NH+](Cc2ccc(O)c(Cl)c2)CC1)C1CC1 ZINC000014964623 526813019 /nfs/dbraw/zinc/81/30/19/526813019.db2.gz KOGGZXXVDSUUTR-HHHXNRCGSA-N 1 0 490.047 5.569 50 0 JKAARO O=C(c1ccco1)N(CC[NH+]1CCCCC1)Cc1csc(COc2cc(Cl)ccc2Cl)n1 ZINC000036124402 526826362 /nfs/dbraw/zinc/82/63/62/526826362.db2.gz RFFBGKPQPNCPDM-UHFFFAOYSA-N 1 0 494.444 5.750 50 0 JKAARO O=C(c1cccs1)N1CCC[C@@H](COc2cccc(C[NH+]3CCC(Cc4ccccc4)CC3)c2)C1 ZINC000014988547 526836759 /nfs/dbraw/zinc/83/67/59/526836759.db2.gz IKUBLNZWRFQILK-HHHXNRCGSA-N 1 0 488.697 6.134 50 0 JKAARO O=C(c1ccoc1)N1CCC[C@@H](COc2ccc(C[NH+]3CCC(c4ccccc4)CC3)cc2)C1 ZINC000014960553 526856154 /nfs/dbraw/zinc/85/61/54/526856154.db2.gz OAWDAVOESCIJSY-XMMPIXPASA-N 1 0 458.602 5.590 50 0 JKAARO O=C(c1ccoc1)N1CCC[C@H](COc2ccc(C[NH+]3CCC(c4ccccc4)CC3)cc2)C1 ZINC000014960558 526856196 /nfs/dbraw/zinc/85/61/96/526856196.db2.gz OAWDAVOESCIJSY-DEOSSOPVSA-N 1 0 458.602 5.590 50 0 JKAARO Clc1ccc(C[NH+]2CCC(c3nnc(SC[C@@H]4CCCO4)n3Cc3ccccc3)CC2)cc1 ZINC000012279295 526944470 /nfs/dbraw/zinc/94/44/70/526944470.db2.gz XCXCNFFTLCMVMY-DEOSSOPVSA-N 1 0 483.081 5.631 50 0 JKAARO O=C(COc1ccccc1)Nc1ccc(N2CCC([NH2+]Cc3scnc3-c3ccccc3)CC2)cc1 ZINC000012243910 526985566 /nfs/dbraw/zinc/98/55/66/526985566.db2.gz ZHTRFSNEDWMDOK-UHFFFAOYSA-N 1 0 498.652 5.586 50 0 JKAARO O=C(N[C@H]1CCCc2ccccc21)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000046055958 527040023 /nfs/dbraw/zinc/04/00/23/527040023.db2.gz LIYQLARCAIPHJN-PMERELPUSA-N 1 0 495.642 6.235 50 0 JKAARO NC1=[NH+]C[C@@H](CS[C@@]23CCCC[C@@H]2[C@@H](c2ccccc2)C=C(c2ccccc2)S3)S1 ZINC000008732639 527137292 /nfs/dbraw/zinc/13/72/92/527137292.db2.gz JWDPJXKKWLZBTK-IYXIZZNPSA-N 1 0 452.714 6.608 50 0 JKAARO O=C(Nc1ccc(N2CCC([NH2+][C@@H](CCn3ccnc3)c3ccccc3)CC2)cc1)C1CCCC1 ZINC000012245729 527221409 /nfs/dbraw/zinc/22/14/09/527221409.db2.gz FGQGYWILSVYNHD-NDEPHWFRSA-N 1 0 471.649 5.402 50 0 JKAARO O=C(Nc1ccccc1C(=O)NCCc1ccccc1)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000016275975 527409271 /nfs/dbraw/zinc/40/92/71/527409271.db2.gz OITNWDGYPAMJCT-UHFFFAOYSA-N 1 0 489.619 5.470 50 0 JKAARO O=C(Nc1ccccc1Cl)C1CC[NH+](Cc2cc3ccccc3n2Cc2cccc(Cl)c2)CC1 ZINC000046055583 527415942 /nfs/dbraw/zinc/41/59/42/527415942.db2.gz JJXKHKMTNUUAOW-UHFFFAOYSA-N 1 0 492.450 6.847 50 0 JKAARO O=C(NC1CCCC1)c1ccc(N2CCC([NH2+]Cc3c[nH]nc3-c3ccc(Cl)cc3)CC2)cc1 ZINC000012246525 527511158 /nfs/dbraw/zinc/51/11/58/527511158.db2.gz XYBLOYBHQKWZSE-UHFFFAOYSA-N 1 0 478.040 5.161 50 0 JKAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cccc(Nc2cc(-c3ccc(F)cc3)ncn2)c1 ZINC000033260976 527531176 /nfs/dbraw/zinc/53/11/76/527531176.db2.gz KHMOTMJIBLNHJM-UHFFFAOYSA-N 1 0 481.575 5.421 50 0 JKAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cc(-c2cccnc2)nc2ccc(Cl)cc21 ZINC000020522477 527531379 /nfs/dbraw/zinc/53/13/79/527531379.db2.gz UVUCEFFMTRFLDP-UHFFFAOYSA-N 1 0 456.977 5.345 50 0 JKAARO Cn1nc(-c2ccccc2)c(C[N@H+](C[C@@H](O)COC(C)(C)C)CC2CC2)c1Oc1ccc(F)cc1 ZINC000036307801 527537414 /nfs/dbraw/zinc/53/74/14/527537414.db2.gz YGPILDRPHYKMEJ-HSZRJFAPSA-N 1 0 481.612 5.407 50 0 JKAARO Cn1nc(-c2ccccc2)c(C[N@H+](C[C@H](O)COC(C)(C)C)CC2CC2)c1Oc1ccc(Cl)cc1 ZINC000036305239 527537904 /nfs/dbraw/zinc/53/79/04/527537904.db2.gz CNQYJNPVBJZLOQ-QHCPKHFHSA-N 1 0 498.067 5.921 50 0 JKAARO Cn1nc(-c2ccccc2)c(C[N@H+](C[C@@H](O)Cc2ccccc2)C2CC2)c1Oc1cccc(F)c1 ZINC000036307104 527538448 /nfs/dbraw/zinc/53/84/48/527538448.db2.gz DNACOQBMVFKDBL-VWLOTQADSA-N 1 0 471.576 5.587 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1C[N@@H+](C[C@@H](O)COC(C)C)C(C)C ZINC000036304103 527548899 /nfs/dbraw/zinc/54/88/99/527548899.db2.gz WRGLANXIYXGYJN-JOCHJYFZSA-N 1 0 473.564 5.248 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2ccc(Cl)cc2)c1C[N@@H+](C[C@@H](O)COC(C)(C)C)C(C)C ZINC000036303713 527549231 /nfs/dbraw/zinc/54/92/31/527549231.db2.gz TUAGGNCXTBNZBE-HSZRJFAPSA-N 1 0 486.056 6.013 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@H+](C[C@H](O)c1ccccc1)CC1CC1 ZINC000036308646 527550643 /nfs/dbraw/zinc/55/06/43/527550643.db2.gz VKARQJCVQPGBAU-NDEPHWFRSA-N 1 0 453.586 5.919 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1C[N@@H+](C[C@H](O)COC(C)C)C(C)C ZINC000036304750 527550682 /nfs/dbraw/zinc/55/06/82/527550682.db2.gz YDMZARPNCADMRN-DEOSSOPVSA-N 1 0 451.611 5.278 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@H+](C[C@H](O)COc1ccccc1)CC1CC1 ZINC000036308654 527550746 /nfs/dbraw/zinc/55/07/46/527550746.db2.gz HTCWRRYMCLFPDM-SANMLTNESA-N 1 0 483.612 5.625 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1C[N@H+](C[C@@H](O)COCC(C)C)CC1CC1 ZINC000036304905 527551122 /nfs/dbraw/zinc/55/11/22/527551122.db2.gz FEJSASUJEAYOIA-AREMUKBSSA-N 1 0 477.649 5.527 50 0 JKAARO O=C(NCC1CC[NH+](Cc2ccccc2F)CC1)c1ccc2nc(CCc3ccccc3)oc2c1 ZINC000064968206 527611281 /nfs/dbraw/zinc/61/12/81/527611281.db2.gz VZCQKQAQWUHUEV-UHFFFAOYSA-N 1 0 471.576 5.394 50 0 JKAARO O=C(NCC1CC[NH+](Cc2ccccc2F)CC1)c1ccc2nc(Cc3ccccc3)oc2c1 ZINC000064968022 527611684 /nfs/dbraw/zinc/61/16/84/527611684.db2.gz CQUNHRFPGRYDRR-UHFFFAOYSA-N 1 0 457.549 5.200 50 0 JKAARO O=C(NCCC1=CCCCC1)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1 ZINC000046055534 527622506 /nfs/dbraw/zinc/62/25/06/527622506.db2.gz RQXXCKYPZUCKPB-UHFFFAOYSA-N 1 0 490.091 6.562 50 0 JKAARO O[C@@H](COCc1ccccc1)C[N@@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccccc2F)=NO1 ZINC000036146245 527658243 /nfs/dbraw/zinc/65/82/43/527658243.db2.gz ATHVCOCDINHFLE-RPWUZVMVSA-N 1 0 482.983 5.052 50 0 JKAARO O[C@@H](COCc1ccccc1)C[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146314 527658716 /nfs/dbraw/zinc/65/87/16/527658716.db2.gz OINASEFJJGMISZ-FTJBHMTQSA-N 1 0 482.983 5.052 50 0 JKAARO O=C(NCCC[NH+]1CCC(Cc2ccccc2)CC1)c1ccc(CSCc2cccc(Cl)c2)o1 ZINC000008877036 527660238 /nfs/dbraw/zinc/66/02/38/527660238.db2.gz DZEWGTXHLCNNBW-UHFFFAOYSA-N 1 0 497.104 6.441 50 0 JKAARO O=C(NCCC[NH+]1CCCCC1)c1cccc([C@H]2CCCN(C(=O)Nc3ccc(Cl)cc3)C2)c1 ZINC000033035464 527665017 /nfs/dbraw/zinc/66/50/17/527665017.db2.gz FRLKZWNURTYGRR-QHCPKHFHSA-N 1 0 483.056 5.357 50 0 JKAARO O=C(NCCC[NH+]1CCCCCC1)c1cccc([C@@H]2CCCN(C(=O)Nc3ccc(Cl)cc3)C2)c1 ZINC000033035467 527665931 /nfs/dbraw/zinc/66/59/31/527665931.db2.gz FSNOVAUJUYHHHE-XMMPIXPASA-N 1 0 497.083 5.747 50 0 JKAARO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1cccc([C@H]2CCCN(C(=O)Nc3ccccc3)C2)c1 ZINC000033264068 527674144 /nfs/dbraw/zinc/67/41/44/527674144.db2.gz AFBVXYAUEVNDGF-NDEPHWFRSA-N 1 0 496.655 5.276 50 0 JKAARO O[C@@H]1C[C@H](c2ccc(Br)cc2)[NH2+][C@@H](c2ccc(Br)cc2)[C@@H]1c1ccccc1 ZINC000016102123 527679228 /nfs/dbraw/zinc/67/92/28/527679228.db2.gz FXLMKLWTDDMCBW-ODAXIHTASA-N 1 0 487.235 6.132 50 0 JKAARO COc1ccccc1CCNC(=O)[C@H]1C[C@H](c2ccc(F)c(C)c2)C[N@H+](Cc2ccccc2Cl)C1 ZINC000096247533 537038061 /nfs/dbraw/zinc/03/80/61/537038061.db2.gz OSKHREIGMMQWBW-DQEYMECFSA-N 1 0 495.038 5.761 50 0 JKAARO COc1ccccc1[C@@H]1Oc2ccccc2C2=C1[C@H](c1ccc(Br)cc1)N1NC=NC1=N2 ZINC000000638013 553722074 /nfs/dbraw/zinc/72/20/74/553722074.db2.gz KGSBSEOZVAQGOR-ZEQRLZLVSA-N 1 0 487.357 5.262 50 0 JKAARO Cc1ccc2nc(-c3ccc(N4C(=O)C[C@H]([N@@H+]5CCC[C@H]6CCCC[C@H]65)C4=O)cc3)sc2c1 ZINC000000689517 553758887 /nfs/dbraw/zinc/75/88/87/553758887.db2.gz AAUUMHAFSZYNOZ-YSZBQJHXSA-N 1 0 459.615 5.558 50 0 JKAARO O=C(C[C@@H](c1cn(Cc2ccccc2)c2ccccc12)c1ccc(F)cc1)NCC[NH+]1CCCCC1 ZINC000000695355 553759943 /nfs/dbraw/zinc/75/99/43/553759943.db2.gz WJGDRKVFAYHXMM-MUUNZHRXSA-N 1 0 483.631 5.953 50 0 JKAARO Cc1cc2c(-c3ccccc3)c(-c3ccccc3)n(C[C@H](O)C[NH2+]Cc3ccco3)c2c(C)c1 ZINC000000706998 553763847 /nfs/dbraw/zinc/76/38/47/553763847.db2.gz NICAUZDOJWLLJD-RUZDIDTESA-N 1 0 450.582 6.336 50 0 JKAARO CC(C)c1ccc([C@@H]2C3=C(NCC[NH+]=C3c3ccc(Cl)cc3)C(=O)N2c2ccccc2)cc1 ZINC000000709382 553765399 /nfs/dbraw/zinc/76/53/99/553765399.db2.gz RZOPIMDXYGDQGE-HHHXNRCGSA-N 1 0 455.989 5.898 50 0 JKAARO COc1cc2c(cc1OC)C1(CCOCC1)C[N@H+](CC[C@H](c1ccccc1)c1ccccc1O)C2 ZINC000000755131 553777434 /nfs/dbraw/zinc/77/74/34/553777434.db2.gz PJAQNPHFXJNCAR-XMMPIXPASA-N 1 0 473.613 5.495 50 0 JKAARO CCOc1cc([C@@H]2[NH2+]CCc3c4cc(OC)ccc4[nH]c32)ccc1OCc1ccccc1Cl ZINC000001280438 553939737 /nfs/dbraw/zinc/93/97/37/553939737.db2.gz HXGLMENZPYKXFP-SANMLTNESA-N 1 0 462.977 6.043 50 0 biogenic JKAARO O=C(CCC[NH+]1CCN(c2ccc(F)cc2)CC1)N[C@H]1c2ccccc2CSc2ccccc21 ZINC000001851142 553996053 /nfs/dbraw/zinc/99/60/53/553996053.db2.gz WFNRNNUZFPVBSM-NDEPHWFRSA-N 1 0 475.633 5.239 50 0 in-man JKAARO Cc1sc(NC(=O)c2ccccc2)c([C@H](c2ccc(Cl)cc2)[NH+]2CCC(C)CC2)c1C ZINC000001890816 554000794 /nfs/dbraw/zinc/00/07/94/554000794.db2.gz JKTYFIPRUKLIRT-DEOSSOPVSA-N 1 0 453.051 7.092 50 0 JKAARO Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2ccc(Cl)cc2)[NH+]2CCC(C)CC2)c1C ZINC000001890812 554000814 /nfs/dbraw/zinc/00/08/14/554000814.db2.gz JKTYFIPRUKLIRT-XMMPIXPASA-N 1 0 453.051 7.092 50 0 JKAARO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@H]3c1ccc(OC)c(Cn2nc(C)c(Br)c2C)c1 ZINC000002119030 554054732 /nfs/dbraw/zinc/05/47/32/554054732.db2.gz OZGLKHKJHYJQCW-XMMPIXPASA-N 1 0 495.421 5.044 50 0 biogenic JKAARO O=C(N[C@@H](OC[C@H]1CCC[N@@H+]2CCCC[C@H]12)C(Cl)(Cl)Cl)c1ccc(Br)cc1 ZINC000002140243 554063802 /nfs/dbraw/zinc/06/38/02/554063802.db2.gz VOUZVBHUPLKNBV-KYJSFNMBSA-N 1 0 498.676 5.156 50 0 JKAARO O=C(N[C@H](OC[C@H]1CCC[N@@H+]2CCCC[C@H]12)C(Cl)(Cl)Cl)c1ccc(Br)cc1 ZINC000002140242 554063898 /nfs/dbraw/zinc/06/38/98/554063898.db2.gz VOUZVBHUPLKNBV-QGPMSJSTSA-N 1 0 498.676 5.156 50 0 JKAARO COc1cc(C[NH2+][C@H](C)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000002177981 554078160 /nfs/dbraw/zinc/07/81/60/554078160.db2.gz KNGLIKQMCWDANR-OAHLLOKOSA-N 1 0 495.244 7.194 50 0 JKAARO Cc1nn2c(nc(C(C)C)cc2N2CC[NH+](Cc3ccc(C)cc3C)CC2)c1-c1ccccc1 ZINC000002196641 554089632 /nfs/dbraw/zinc/08/96/32/554089632.db2.gz HUHQKAXJHGICRI-UHFFFAOYSA-N 1 0 453.634 5.767 50 0 JKAARO COc1ccc2c(c1)c(C(=O)CN1CCC(Cc3ccccc3)CC1)c(C)n2Cc1ccccc1 ZINC000002246502 554111650 /nfs/dbraw/zinc/11/16/50/554111650.db2.gz AWPPDBWDDNBLKV-UHFFFAOYSA-N 1 0 466.625 6.144 50 0 JKAARO O[C@H](Cn1c2c(ccc3ccccc23)c(-c2ccccc2)c1-c1ccccc1)C[NH+]1CCCCC1 ZINC000002292372 554136190 /nfs/dbraw/zinc/13/61/90/554136190.db2.gz KYVZWQPTHIXSGT-MHZLTWQESA-N 1 0 460.621 6.975 50 0 JKAARO O[C@@H](Cn1c2c(ccc3ccccc23)c(-c2ccccc2)c1-c1ccccc1)C[NH+]1CCCCC1 ZINC000002292371 554136199 /nfs/dbraw/zinc/13/61/99/554136199.db2.gz KYVZWQPTHIXSGT-HHHXNRCGSA-N 1 0 460.621 6.975 50 0 JKAARO Cn1cc([C@H](CN2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)[NH+](C)C)c2ccccc21 ZINC000002317154 554146321 /nfs/dbraw/zinc/14/63/21/554146321.db2.gz GLOVBXQEFABPIY-ZDUSSCGKSA-N 1 0 485.198 5.691 50 0 JKAARO C[NH+](C)[C@H](CN1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O)c1c[nH]c2ccccc21 ZINC000002333968 554153003 /nfs/dbraw/zinc/15/30/03/554153003.db2.gz IPQDCFORTGTPIG-GFCCVEGCSA-N 1 0 471.171 5.680 50 0 JKAARO CCCc1cc(N2CC[NH+](Cc3ccc(C)cc3C)CC2)n2nc(C)c(-c3ccccc3)c2n1 ZINC000002354041 554163101 /nfs/dbraw/zinc/16/31/01/554163101.db2.gz SBYNJRGEXQVSBJ-UHFFFAOYSA-N 1 0 453.634 5.596 50 0 JKAARO C[NH+](C)CCCNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1 ZINC000002714510 554300444 /nfs/dbraw/zinc/30/04/44/554300444.db2.gz ZYYZBFKWXZLPLK-UHFFFAOYSA-N 1 0 450.384 5.214 50 0 JKAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(COc4cccc(C(F)(F)F)c4)o2)N3)C1 ZINC000002735909 554319111 /nfs/dbraw/zinc/31/91/11/554319111.db2.gz IJRYCIXFVOIROC-FQEVSTJZSA-N 1 0 477.508 5.171 50 0 JKAARO O=C(c1ccc(COc2cccc(Cl)c2)o1)N1CC[NH+](C2C3CC4CC(C3)CC2C4)CC1 ZINC000002764325 554332970 /nfs/dbraw/zinc/33/29/70/554332970.db2.gz XKFDOWPXPLWIAQ-UHFFFAOYSA-N 1 0 454.998 5.095 50 0 JKAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(COc4ccc(Cl)c(Cl)c4)o2)N3)C1 ZINC000002785303 554343730 /nfs/dbraw/zinc/34/37/30/554343730.db2.gz QCVIRPUYBZGICY-HXUWFJFHSA-N 1 0 478.401 5.459 50 0 JKAARO CC[C@@H](C)c1ccc([C@@H](C)[NH2+]CC(=O)Nc2nc(-c3ccc(Br)cc3)cs2)cc1 ZINC000002789207 554345872 /nfs/dbraw/zinc/34/58/72/554345872.db2.gz IMWLCLLJQJPIAX-HZPDHXFCSA-N 1 0 472.452 6.375 50 0 JKAARO CC[NH+](CC)CCCN1C(=S)N=NC1c1ccc(COc2cc(C)c(Cl)c(C)c2)cc1 ZINC000002793336 554348831 /nfs/dbraw/zinc/34/88/31/554348831.db2.gz DKCYDPSRSVYGOV-UHFFFAOYSA-N 1 0 459.059 5.815 50 0 JKAARO Cc1ccc(-c2nnc(N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c3ccccc32)cc1C ZINC000003165879 554428010 /nfs/dbraw/zinc/42/80/10/554428010.db2.gz DCGZGWHTCGJDFB-UHFFFAOYSA-N 1 0 484.647 6.825 50 0 JKAARO C[C@H]1C[C@H](C)C[NH+](Cn2c3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3oc2=S)C1 ZINC000003246236 554436530 /nfs/dbraw/zinc/43/65/30/554436530.db2.gz ISTLVQVHJQJHOE-GJZGRUSLSA-N 1 0 466.028 5.353 50 0 JKAARO C[C@@H]1C[C@@H](C)C[NH+](Cn2c3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3oc2=S)C1 ZINC000003246235 554436671 /nfs/dbraw/zinc/43/66/71/554436671.db2.gz ISTLVQVHJQJHOE-HUUCEWRRSA-N 1 0 466.028 5.353 50 0 JKAARO Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc12 ZINC000003305305 554448059 /nfs/dbraw/zinc/44/80/59/554448059.db2.gz GNOFCXWWFYPKCZ-UHFFFAOYSA-N 1 0 479.049 5.502 50 0 JKAARO CC(C)(C)c1ccc(C(=O)CCC[NH+]2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000003781952 554470838 /nfs/dbraw/zinc/47/08/38/554470838.db2.gz MJJALKDDGIKVBE-UHFFFAOYSA-N 1 0 469.669 7.218 50 0 world JKAARO CC[NH+](CC)CCCNC(=O)c1nn2c(nc(-c3ccc(Cl)cc3)cc2C(F)(F)F)c1Cl ZINC000006511344 554548683 /nfs/dbraw/zinc/54/86/83/554548683.db2.gz MJGMLCQTRGYQHF-UHFFFAOYSA-N 1 0 488.341 5.184 50 0 JKAARO CC1CC[NH+](C[C@@H](O)Cn2c(-c3ccccc3)c(-c3ccccc3)c3ccc4ccccc4c32)CC1 ZINC000008431993 554585031 /nfs/dbraw/zinc/58/50/31/554585031.db2.gz JIVBIKKIIBGUOP-MUUNZHRXSA-N 1 0 474.648 7.221 50 0 JKAARO CC1CC[NH+](C[C@H](O)Cn2c(-c3ccccc3)c(-c3ccccc3)c3ccc4ccccc4c32)CC1 ZINC000008431988 554585064 /nfs/dbraw/zinc/58/50/64/554585064.db2.gz JIVBIKKIIBGUOP-NDEPHWFRSA-N 1 0 474.648 7.221 50 0 JKAARO O=C(N[C@@H](OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(Cl)(Cl)Cl)c1cccc2ccccc21 ZINC000008739637 554641516 /nfs/dbraw/zinc/64/15/16/554641516.db2.gz VRSQERDXHFMAAL-WEYGHZABSA-N 1 0 469.840 5.547 50 0 biogenic JKAARO COc1ccc(C=CC2=C[C@@](O)(C(F)(F)F)N(c3nc(-c4ccc(F)cc4)cs3)[NH2+]2)cc1 ZINC000008754084 554655896 /nfs/dbraw/zinc/65/58/96/554655896.db2.gz KNZLPCKSGUOLNU-NSRPMIOYSA-N 1 0 463.456 5.488 50 0 JKAARO CC(C)CC[NH2+]C[C@@H](O)Cn1c2ccc(Br)cc2c2cc(Br)ccc21 ZINC000008754258 554655952 /nfs/dbraw/zinc/65/59/52/554655952.db2.gz NMSFERQVNZXNBW-MRXNPFEDSA-N 1 0 468.233 5.316 50 0 JKAARO C[C@@H]1C[C@@H](C)C[NH+](C[C@H](O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)C1 ZINC000008754270 554656165 /nfs/dbraw/zinc/65/61/65/554656165.db2.gz KZNBPVRNIXGECF-RKVPGOIHSA-N 1 0 494.271 5.658 50 0 JKAARO C[C@@H]1C[C@H](C)C[N@@H+](C[C@H](O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)C1 ZINC000008754266 554656168 /nfs/dbraw/zinc/65/61/68/554656168.db2.gz KZNBPVRNIXGECF-DAYGRLMNSA-N 1 0 494.271 5.658 50 0 JKAARO CC(C)(Cc1ccccc1)OC(=O)N[C@@H](Cc1ccccc1)C(=O)OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000008762677 554662694 /nfs/dbraw/zinc/66/26/94/554662694.db2.gz BNZBMEAXYPORLG-GMQQYTKMSA-N 1 0 492.660 5.153 50 0 biogenic JKAARO Cc1cc(Oc2coc3cc(OC[C@@H](O)C[NH+]4CCCCC4)ccc3c2=O)cc(C)c1Cl ZINC000008763877 554664169 /nfs/dbraw/zinc/66/41/69/554664169.db2.gz GCHXUELHYMUYPT-SFHVURJKSA-N 1 0 457.954 5.081 50 0 JKAARO COc1ccc(OCc2n(C)c3ccccc3[n+]2CC(=O)O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)cc1 ZINC000008763980 554664426 /nfs/dbraw/zinc/66/44/26/554664426.db2.gz YBINXMKLOILQMU-AMZDPNTKSA-N 1 0 465.614 5.057 50 0 biogenic JKAARO CCC[NH+]1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(Sc4ccccc4)cc3)=NN12 ZINC000008767457 554667976 /nfs/dbraw/zinc/66/79/76/554667976.db2.gz DUQNKOUEVOZOCF-MHZLTWQESA-N 1 0 469.654 6.583 50 0 JKAARO CC(=O)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CC[N@@H+]5CCCC(C)(C)C5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000008789081 554681140 /nfs/dbraw/zinc/68/11/40/554681140.db2.gz IQWDZXKZGAIZNS-NGVCODNXSA-N 1 0 483.737 6.578 50 0 biogenic JKAARO CCCC[NH+](CCCC)CCNC(=O)c1ccc(Sc2ccc(C)cc2)c(NC(C)=O)c1 ZINC000008811915 554692930 /nfs/dbraw/zinc/69/29/30/554692930.db2.gz JZQRWXTZEVUJAY-UHFFFAOYSA-N 1 0 455.668 5.737 50 0 JKAARO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1cc(Sc2cccc(Cl)c2)nc2ccccc21 ZINC000008812695 554694426 /nfs/dbraw/zinc/69/44/26/554694426.db2.gz DZWRGJLUOKPPIJ-HDICACEKSA-N 1 0 454.039 6.032 50 0 JKAARO CCCC[N@H+](CCCNC(=O)c1cc(-c2cccnc2)nc2ccccc21)Cc1ccccc1 ZINC000008813041 554695094 /nfs/dbraw/zinc/69/50/94/554695094.db2.gz CIRWKDHYTBFEGF-UHFFFAOYSA-N 1 0 452.602 5.719 50 0 JKAARO CCCC[NH+](CCCC)CCNC(=O)c1ccc2c(c1)N=C(CC)c1cc(C)ccc1S2 ZINC000008813171 554695289 /nfs/dbraw/zinc/69/52/89/554695289.db2.gz JGZOYSYQCSHXMU-UHFFFAOYSA-N 1 0 451.680 6.622 50 0 JKAARO CCC1=Nc2cc(C(=O)NCC[N@H+](C)CCc3ccccc3)ccc2Sc2ccc(C)cc21 ZINC000008813155 554695354 /nfs/dbraw/zinc/69/53/54/554695354.db2.gz STQOVQPWOMWYEI-UHFFFAOYSA-N 1 0 457.643 5.895 50 0 JKAARO O=C(Nc1ccc(F)c(Cl)c1)N(Cc1ccc2c(c1)OCO2)C1CC[NH+](Cc2ccccc2)CC1 ZINC000008831075 554720958 /nfs/dbraw/zinc/72/09/58/554720958.db2.gz DRBDJLWOHOJJAZ-UHFFFAOYSA-N 1 0 495.982 5.907 50 0 JKAARO CCOc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCC[NH+](CC)CC)cc1 ZINC000008834886 554732988 /nfs/dbraw/zinc/73/29/88/554732988.db2.gz VUYKFXGAOAQUKD-QHCPKHFHSA-N 1 0 468.981 5.122 50 0 JKAARO CCOC(=O)c1c2cc(O)c(Br)cc2n(-c2ccccc2)c1C[N@@H+]1CCCC[C@@H]1C ZINC000008846648 554745477 /nfs/dbraw/zinc/74/54/77/554745477.db2.gz OWHQBCQPONVLOQ-INIZCTEOSA-N 1 0 471.395 5.650 50 0 JKAARO CCOC(=O)c1c2cc(O)c(Br)cc2n(-c2ccccc2)c1C[N@@H+]1CCCC[C@H]1C ZINC000008846649 554745578 /nfs/dbraw/zinc/74/55/78/554745578.db2.gz OWHQBCQPONVLOQ-MRXNPFEDSA-N 1 0 471.395 5.650 50 0 JKAARO Clc1ccc(-c2cc(C3CC[NH+](Cc4c(Cl)cccc4Cl)CC3)[nH]n2)c(Cl)c1 ZINC000008855350 554750996 /nfs/dbraw/zinc/75/09/96/554750996.db2.gz RVCWETXTJRCMRA-UHFFFAOYSA-N 1 0 455.216 7.070 50 0 JKAARO CC[NH+](CC)CCOC(=O)c1ccc(NC2(c3nnnn3-c3c(C)cccc3C)CCCCC2)cc1 ZINC000008857521 554754093 /nfs/dbraw/zinc/75/40/93/554754093.db2.gz ZXFYFTZVWIWLDQ-UHFFFAOYSA-N 1 0 490.652 5.049 50 0 JKAARO COc1ccc([C@H](CN2C(=O)[C@H](C)S[C@H]2c2ccc(Br)s2)[NH+]2CCCC2)cc1 ZINC000008881267 554776443 /nfs/dbraw/zinc/77/64/43/554776443.db2.gz XEJIPRBVPNAAKE-LFRPXUGBSA-N 1 0 481.481 5.319 50 0 JKAARO CC[NH+](CC)CCNC(=O)c1ccc(Cn2c3cnccc3nc2SCc2ccc(C)cc2)cc1 ZINC000008913521 554805882 /nfs/dbraw/zinc/80/58/82/554805882.db2.gz YHURQFLCEUUGSK-UHFFFAOYSA-N 1 0 487.673 5.152 50 0 JKAARO O=C(NCCC[NH+]1CCN(c2ccc(F)cc2)CC1)c1cc2c(s1)-c1ccccc1SC2 ZINC000008913775 554806841 /nfs/dbraw/zinc/80/68/41/554806841.db2.gz OLKKJUNANLNWRK-UHFFFAOYSA-N 1 0 467.635 5.102 50 0 JKAARO COc1cccc2c1OC1(CC[NH+](C(C)C)CC1)N1N=C(c3ccc(Br)cc3)C[C@H]21 ZINC000008914550 554807543 /nfs/dbraw/zinc/80/75/43/554807543.db2.gz IWKAZAYCZVZLFH-OAQYLSRUSA-N 1 0 470.411 5.202 50 0 JKAARO COc1ccc([C@@H](CNC(=O)c2oc3ccc(Br)cc3c2C)[NH+]2CCCC2)cc1 ZINC000008916984 554811672 /nfs/dbraw/zinc/81/16/72/554811672.db2.gz JTYDAELQQFQSRD-HXUWFJFHSA-N 1 0 457.368 5.079 50 0 JKAARO C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1sc2c(c1C(=O)Nc1ccc(Br)cc1)CCC2 ZINC000008919218 554815934 /nfs/dbraw/zinc/81/59/34/554815934.db2.gz RXKMCOTXGAOQOZ-HNNXBMFYSA-N 1 0 490.467 5.455 50 0 JKAARO CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC(=O)c4cccc5ccccc54)cc2)N3)C1 ZINC000008923126 554820442 /nfs/dbraw/zinc/82/04/42/554820442.db2.gz WGXGMUHKXAAJEQ-SANMLTNESA-N 1 0 497.620 6.316 50 0 JKAARO Cc1ccc(C(=O)Oc2ccc([C@H]3Nc4sc5c(c4C(=O)N3)CC[N@@H+](C(C)C)C5)cc2)cc1 ZINC000008923485 554820589 /nfs/dbraw/zinc/82/05/89/554820589.db2.gz GJMLPEOIEVGGIN-HSZRJFAPSA-N 1 0 461.587 5.471 50 0 JKAARO CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4cccc(C(F)(F)F)c4)o2)N3)C1 ZINC000008927607 554824983 /nfs/dbraw/zinc/82/49/83/554824983.db2.gz ZLVGSVVHGQEJHR-FQEVSTJZSA-N 1 0 461.509 6.222 50 0 JKAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4ccc(Br)cc4)o2)N3)C1 ZINC000008927649 554825185 /nfs/dbraw/zinc/82/51/85/554825185.db2.gz JCQVZUKKULENAM-LJQANCHMSA-N 1 0 458.381 5.578 50 0 JKAARO C[NH2+][C@H]1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(N[C@@H](C)CCCC(C)C)c(=O)cc21 ZINC000008964461 554838455 /nfs/dbraw/zinc/83/84/55/554838455.db2.gz QFFVPKYZOBXDFZ-AVRDEDQJSA-N 1 0 468.638 5.573 50 0 biogenic JKAARO COc1c2c(cc3c1[C@H](C[C@H](O)c1cc4c(cc1C)C(C)(C)[C@@H](C)C4(C)C)[N@H+](C)CC3)OCO2 ZINC000008964462 554838510 /nfs/dbraw/zinc/83/85/10/554838510.db2.gz RXLGJHRPYZIAAS-VSDWSMLSSA-N 1 0 465.634 5.590 50 0 biogenic JKAARO c1ccc2c(c1)CCC[C@@H]2[NH+]1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc4c(c3)OCO4)=NN12 ZINC000008969045 554843060 /nfs/dbraw/zinc/84/30/60/554843060.db2.gz QIJHRSHWWHXCIW-SVBPBHIXSA-N 1 0 493.607 5.829 50 0 JKAARO COc1ccc([C@]2(CC[NH2+]C[C@H]3C(=O)O[C@@H]4C[C@@]5(C)CCCC(C)=C5C[C@@H]43)CCOC(C)(C)C2)cc1 ZINC000009008580 554862767 /nfs/dbraw/zinc/86/27/67/554862767.db2.gz UFWINNDKPCZSNS-HDDKXCPPSA-N 1 0 495.704 5.960 50 0 biogenic JKAARO Cc1ccc(C2=CSC3=NC4=C(C[N@H+](C)C/C4=C\c4ccc(F)cc4)[C@@H](c4ccc(F)cc4)N23)cc1 ZINC000009076027 554887168 /nfs/dbraw/zinc/88/71/68/554887168.db2.gz CVXLMFCXTSELCS-TYDKCCNCSA-N 1 0 497.614 7.014 50 0 JKAARO COc1cccc2c1OC1(CC[NH+](Cc3ccccc3)CC1)N1N=C(c3cc(C)ccc3C)C[C@@H]21 ZINC000009087596 554889555 /nfs/dbraw/zinc/88/95/55/554889555.db2.gz DVFUTYABNNCWPA-MHZLTWQESA-N 1 0 467.613 5.848 50 0 JKAARO CC[NH+](CC)CCCNc1nc(SC)nc2c3c4c(c(CC(C)C)nc3sc21)CCC4 ZINC000009089996 554890975 /nfs/dbraw/zinc/89/09/75/554890975.db2.gz OJHFETXTIFSQCW-UHFFFAOYSA-N 1 0 457.713 5.792 50 0 JKAARO CCCC[NH+](CCCC)CCCNC(=O)c1ccc(C[S@](=O)c2ccc(Br)cc2)o1 ZINC000009115598 554902560 /nfs/dbraw/zinc/90/25/60/554902560.db2.gz FOYZXPFMYNGYPC-SSEXGKCCSA-N 1 0 497.499 5.372 50 0 JKAARO Cc1ccc(CNC(=O)N(Cc2ccc3c(c2)OCO3)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000009151154 554937382 /nfs/dbraw/zinc/93/73/82/554937382.db2.gz WWQQHXHNBJGWSJ-UHFFFAOYSA-N 1 0 471.601 5.100 50 0 JKAARO O=C(NCC[N@H+](Cc1ccco1)C1CCCC1)c1nc(-c2ccc(Cl)cc2)n2c1CCCCC2 ZINC000009152952 554941698 /nfs/dbraw/zinc/94/16/98/554941698.db2.gz METKOSQHZYVTAQ-UHFFFAOYSA-N 1 0 481.040 5.698 50 0 JKAARO CCC[NH+]1CCC2(CC1)Oc1c(OC)cccc1[C@H]1CC(c3ccc(Br)cc3)=NN12 ZINC000009172589 554954330 /nfs/dbraw/zinc/95/43/30/554954330.db2.gz HXTCTXSRLCLTQB-OAQYLSRUSA-N 1 0 470.411 5.203 50 0 JKAARO FC(F)(F)c1cccc(N2CC[NH+](CCCCCCOc3cccc4ccccc43)CC2)c1 ZINC000009183500 554955819 /nfs/dbraw/zinc/95/58/19/554955819.db2.gz OJWIVBSBUIUCGW-UHFFFAOYSA-N 1 0 456.552 6.620 50 0 JKAARO CC[NH+](CC)CCCNc1nc(SC)nc2c1sc1nc(C(C)C)c3c(c12)CC(C)(C)OC3 ZINC000009210443 554980000 /nfs/dbraw/zinc/98/00/00/554980000.db2.gz WVGKYTTWDMGDPK-UHFFFAOYSA-N 1 0 487.739 6.080 50 0 JKAARO Cc1oc(-c2ccc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc2)nc1COc1ccccc1 ZINC000009211857 554981698 /nfs/dbraw/zinc/98/16/98/554981698.db2.gz BENSOTGABONJSR-UHFFFAOYSA-N 1 0 481.596 5.623 50 0 JKAARO Cc1oc(-c2ccc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc2)nc1COc1ccc(C)cc1 ZINC000009211874 554981748 /nfs/dbraw/zinc/98/17/48/554981748.db2.gz YOOUQKYQTBBEIW-UHFFFAOYSA-N 1 0 495.623 5.932 50 0 JKAARO Cc1oc(-c2ccc(C(=O)NCCC[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)nc1CSc1ccc(C)cc1 ZINC000009211952 554981980 /nfs/dbraw/zinc/98/19/80/554981980.db2.gz LHVDBMIJMRAMJC-SZPZYZBQSA-N 1 0 491.701 6.349 50 0 JKAARO Cc1c(Cl)cccc1-n1ncc(C(=O)Nc2cc(Cl)ccc2Cl)c1C1CC[NH2+]CC1 ZINC000009227485 555000239 /nfs/dbraw/zinc/00/02/39/555000239.db2.gz VXGZZYQOXLHSRS-UHFFFAOYSA-N 1 0 463.796 5.860 50 0 JKAARO CC(C)Cn1cc(NC(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)c2ccccc2c1=O ZINC000009227633 555000634 /nfs/dbraw/zinc/00/06/34/555000634.db2.gz TTWUBZLMKKPUIH-UHFFFAOYSA-N 1 0 481.040 5.345 50 0 JKAARO C[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccc(Cl)c(Cl)c3)=NN12 ZINC000009232664 555005022 /nfs/dbraw/zinc/00/50/22/555005022.db2.gz OSMIARPOUGEAAF-IBGZPJMESA-N 1 0 481.221 5.721 50 0 JKAARO COc1cccc2c1OC1(CC[NH+](Cc3ccccc3)CC1)N1N=C(c3ccc(C)cc3)C[C@@H]21 ZINC000009233340 555006189 /nfs/dbraw/zinc/00/61/89/555006189.db2.gz BUTKOIZGNNHAIB-SANMLTNESA-N 1 0 453.586 5.539 50 0 JKAARO Cc1ccc2c(c1)[C@@H]1CC(c3ccc(Cl)cc3)=NN1C1(CC[NH+](Cc3ccccc3)CC1)O2 ZINC000009235376 555009526 /nfs/dbraw/zinc/00/95/26/555009526.db2.gz FKPZSVAJAFGRGC-SANMLTNESA-N 1 0 458.005 6.184 50 0 JKAARO Cc1ccc2c(c1)[C@H]1CC(c3ccc(Cl)cc3)=NN1C1(CC[NH+](Cc3ccccc3)CC1)O2 ZINC000009235379 555009568 /nfs/dbraw/zinc/00/95/68/555009568.db2.gz FKPZSVAJAFGRGC-AREMUKBSSA-N 1 0 458.005 6.184 50 0 JKAARO CCCOc1ccc(-c2nc(C[NH+]3CCC(C(=O)Nc4c(C)cccc4CC)CC3)c(C)o2)cc1 ZINC000009274598 555047432 /nfs/dbraw/zinc/04/74/32/555047432.db2.gz LPYIEKFVCYGSAY-UHFFFAOYSA-N 1 0 475.633 6.160 50 0 JKAARO COc1ccc2c(c1)[nH]c(C(=O)NCCC[NH+]1CCCCCC1)c2Sc1ccc(Cl)cc1 ZINC000009288615 555062436 /nfs/dbraw/zinc/06/24/36/555062436.db2.gz DFDRCMJIFVGQBJ-UHFFFAOYSA-N 1 0 472.054 5.977 50 0 JKAARO Cc1nn2c(nc(C)cc2N2CC[NH+](Cc3ccc(C)cc3C)CC2)c1-c1ccc(Cl)cc1 ZINC000009346026 555112586 /nfs/dbraw/zinc/11/25/86/555112586.db2.gz MFHMINUMXQOGJU-UHFFFAOYSA-N 1 0 460.025 5.606 50 0 JKAARO FC(F)Oc1ccc(C2=NN3[C@@H](C2)c2ccccc2OC32CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000009357006 555122222 /nfs/dbraw/zinc/12/22/22/555122222.db2.gz IOGFOCZGSRLWIU-VWLOTQADSA-N 1 0 475.539 5.824 50 0 JKAARO O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000009368339 555131130 /nfs/dbraw/zinc/13/11/30/555131130.db2.gz NMPDLRLNUADNFK-UHFFFAOYSA-N 1 0 475.643 5.322 50 0 JKAARO Cc1ccc(-c2cn3c4ccc(C(=O)NCCC[NH+]5[C@H](C)CCC[C@H]5C)cc4sc3n2)cc1 ZINC000009406359 555166617 /nfs/dbraw/zinc/16/66/17/555166617.db2.gz UAHIPIATTKFBNU-WOJBJXKFSA-N 1 0 460.647 5.907 50 0 JKAARO Cc1ccc(-c2cn3c4ccc(C(=O)NCCC[NH+]5[C@@H](C)CCC[C@@H]5C)cc4sc3n2)cc1 ZINC000009406358 555166619 /nfs/dbraw/zinc/16/66/19/555166619.db2.gz UAHIPIATTKFBNU-PMACEKPBSA-N 1 0 460.647 5.907 50 0 JKAARO COc1ccc(-c2cn3c4ccc(C(=O)NCCC[NH+]5C[C@H](C)C[C@@H](C)C5)cc4sc3n2)cc1 ZINC000009406438 555166752 /nfs/dbraw/zinc/16/67/52/555166752.db2.gz RUDJHFALWDFSTP-RTBURBONSA-N 1 0 476.646 5.322 50 0 JKAARO CCc1ccc(-c2cn3c4ccc(C(=O)NCCC[NH+]5C[C@H](C)C[C@@H](C)C5)cc4sc3n2)cc1 ZINC000009406483 555166946 /nfs/dbraw/zinc/16/69/46/555166946.db2.gz HICUUMXEEBIMAJ-WOJBJXKFSA-N 1 0 474.674 5.876 50 0 JKAARO CCOc1ccc(-c2cn3c4ccc(C(=O)NCCC[N@@H+]5CCCC[C@@H]5CC)cc4sc3n2)cc1 ZINC000009406632 555167141 /nfs/dbraw/zinc/16/71/41/555167141.db2.gz JIBMQYUIZDSSNP-QFIPXVFZSA-N 1 0 490.673 5.999 50 0 JKAARO CCOc1ccc(-c2cn3c4ccc(C(=O)NCCC[N@@H+]5CCCC[C@H]5C)cc4sc3n2)cc1 ZINC000009406634 555167194 /nfs/dbraw/zinc/16/71/94/555167194.db2.gz MRZYAWVJWSYLMZ-LJQANCHMSA-N 1 0 476.646 5.609 50 0 JKAARO CCOc1ccc(-c2cn3c4ccc(C(=O)NCCC[N@@H+]5CCCC[C@H]5CC)cc4sc3n2)cc1 ZINC000009406631 555167225 /nfs/dbraw/zinc/16/72/25/555167225.db2.gz JIBMQYUIZDSSNP-JOCHJYFZSA-N 1 0 490.673 5.999 50 0 JKAARO CC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC[C@H](O)C[NH2+]Cc3ccc(Cl)cc3)cc21 ZINC000009409352 555174108 /nfs/dbraw/zinc/17/41/08/555174108.db2.gz RVFUPXKGQCCPLY-XMMPIXPASA-N 1 0 477.004 5.633 50 0 JKAARO CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCCC[N@H+](C)Cc2ccccc2)[C@@H]1c1cccs1 ZINC000009433048 555202795 /nfs/dbraw/zinc/20/27/95/555202795.db2.gz NKHANABDLBUCCV-SVBPBHIXSA-N 1 0 489.685 5.323 50 0 JKAARO CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NCCC[N@H+](C)Cc2ccccc2)[C@H]1c1cccs1 ZINC000009433045 555202806 /nfs/dbraw/zinc/20/28/06/555202806.db2.gz NKHANABDLBUCCV-KAYWLYCHSA-N 1 0 489.685 5.323 50 0 JKAARO CCCC[N@H+](CC)CCCNC(=O)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1 ZINC000009433599 555203811 /nfs/dbraw/zinc/20/38/11/555203811.db2.gz GGFMFBIMQUCBSQ-IZZNHLLZSA-N 1 0 481.706 5.600 50 0 JKAARO COc1ccc([C@@H](CNC(=O)c2c(C)nn(Cc3ccc(C)cc3)c2Cl)[NH+]2CCCCC2)cc1 ZINC000009439604 555209613 /nfs/dbraw/zinc/20/96/13/555209613.db2.gz IKDSORFNKFRDKU-XMMPIXPASA-N 1 0 481.040 5.167 50 0 JKAARO COc1ccc([C@@H]2CC(c3ccc(Br)cc3)=NN2C(=O)CC[NH+]2CCCCC2)cc1 ZINC000009445583 555218449 /nfs/dbraw/zinc/21/84/49/555218449.db2.gz NLENERTWFIKXKF-QHCPKHFHSA-N 1 0 470.411 5.011 50 0 JKAARO C[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccc(Cl)cc3Cl)=NN12 ZINC000009455893 555225947 /nfs/dbraw/zinc/22/59/47/555225947.db2.gz VQPVNPOQSLRLNL-LJQANCHMSA-N 1 0 481.221 5.721 50 0 JKAARO CC[NH+]1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(Sc4ccccc4)cc3)=NN12 ZINC000009461481 555229275 /nfs/dbraw/zinc/22/92/75/555229275.db2.gz NTWLIQCRBOJYSY-AREMUKBSSA-N 1 0 455.627 6.193 50 0 JKAARO CC(C)[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccccc3Cl)=NN12 ZINC000009462264 555231126 /nfs/dbraw/zinc/23/11/26/555231126.db2.gz RSEBQQDARJATKK-OAQYLSRUSA-N 1 0 474.830 5.847 50 0 JKAARO COc1cc(C[NH2+]Cc2ccc(-c3ccc(Cl)cc3)o2)ccc1OCc1csc(C)n1 ZINC000009464562 555236966 /nfs/dbraw/zinc/23/69/66/555236966.db2.gz XCPDUDNXGGHSHA-UHFFFAOYSA-N 1 0 454.979 6.242 50 0 JKAARO CCOc1cc(C[NH2+][C@@H](C)c2ccc(-n3ccnc3)cc2)ccc1OCCOc1ccc(F)cc1 ZINC000009468299 555247678 /nfs/dbraw/zinc/24/76/78/555247678.db2.gz IFQNEDRGEKAJOM-NRFANRHFSA-N 1 0 475.564 5.719 50 0 JKAARO CCOc1ccc2nc(N(CC[NH+](CC)CC)C(=O)CCCSc3ccccc3)sc2c1 ZINC000009472812 555255666 /nfs/dbraw/zinc/25/56/66/555255666.db2.gz XUVFTFQWTCDYFN-UHFFFAOYSA-N 1 0 471.692 5.942 50 0 JKAARO COc1ccc(-c2nc3ccccc3c(NCC3CC[NH+](Cc4cccc(C)c4)CC3)n2)cc1 ZINC000009527048 555320782 /nfs/dbraw/zinc/32/07/82/555320782.db2.gz VNDSXLISQNGJDV-UHFFFAOYSA-N 1 0 452.602 5.938 50 0 JKAARO C[C@@H](CNC(=O)c1cc(Sc2ccc(Cl)cc2)nc2ccccc21)[NH+]1CCC(C)CC1 ZINC000009546370 555341719 /nfs/dbraw/zinc/34/17/19/555341719.db2.gz QKMNWHRJRSEWLU-SFHVURJKSA-N 1 0 454.039 5.890 50 0 JKAARO C[C@@H]1CCC[C@H](C)[N@H+]1CCCNC(=O)c1cc(Sc2ccc(Cl)cc2)nc2ccccc21 ZINC000009546372 555341744 /nfs/dbraw/zinc/34/17/44/555341744.db2.gz OGSZEJYMNPPRSD-KDURUIRLSA-N 1 0 468.066 6.422 50 0 JKAARO CCCOc1ccc([C@H]2[NH2+]C[C@@H](c3cccc(OC)c3OC)c3c4ccccc4[nH]c32)cc1OC ZINC000013145651 555343185 /nfs/dbraw/zinc/34/31/85/555343185.db2.gz QVDFNNCSZWTCHY-KDYSTLNUSA-N 1 0 472.585 5.807 50 0 JKAARO O=C(Cc1ccc(NC(=O)N2CCCCc3ccccc32)cc1)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000009642890 555355936 /nfs/dbraw/zinc/35/59/36/555355936.db2.gz BDUKMJOIHDCHMS-UHFFFAOYSA-N 1 0 496.655 5.169 50 0 JKAARO CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)c2cc3cc4cc(OC)ccc4nc3s2)cc1 ZINC000009561552 555360047 /nfs/dbraw/zinc/36/00/47/555360047.db2.gz JDCAVGRVSKELJO-UHFFFAOYSA-N 1 0 477.586 5.209 50 0 JKAARO O[C@]1(c2ccc(OC(F)F)cc2)CN(c2ccc(Br)cc2)C2=[N+]1c1ccccc1CC2 ZINC000013300946 555372759 /nfs/dbraw/zinc/37/27/59/555372759.db2.gz PQXUZMYQNNTLBO-DEOSSOPVSA-N 1 0 486.336 5.405 50 0 JKAARO CCCC[NH+]1CCN(C(=O)c2cc(-c3cccc(C)c3)nc3ccc(Br)cc32)CC1 ZINC000013322616 555376021 /nfs/dbraw/zinc/37/60/21/555376021.db2.gz MVDYNIGWEYWPGI-UHFFFAOYSA-N 1 0 466.423 5.531 50 0 JKAARO Cc1ccc2nc(-c3ccncc3)cc(C(=O)N3CC[NH+](C45CC6CC(CC(C6)C4)C5)CC3)c2c1 ZINC000013321675 555376046 /nfs/dbraw/zinc/37/60/46/555376046.db2.gz GFPPEBRTJPIYHP-UHFFFAOYSA-N 1 0 466.629 5.332 50 0 JKAARO Cc1ccc(-c2nc3sc(N4CC[NH+](C5CCCCC5)CC4)nn3c2NC(C)(C)C)cc1 ZINC000013347140 555377332 /nfs/dbraw/zinc/37/73/32/555377332.db2.gz GHTDSSMSIFNGTC-UHFFFAOYSA-N 1 0 452.672 5.431 50 0 JKAARO C[C@@H](C(=O)NCCC[N@@H+]1CCc2ccccc2C1)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000013369302 555391099 /nfs/dbraw/zinc/39/10/99/555391099.db2.gz NLIPPIIJYHHBQS-FQEVSTJZSA-N 1 0 473.020 5.482 50 0 JKAARO C[C@@H](C(=O)N1CC[NH+](C2CCCCC2)CC1)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000013369334 555391137 /nfs/dbraw/zinc/39/11/37/555391137.db2.gz HSTGZQZOSKYWRH-IBGZPJMESA-N 1 0 451.014 5.395 50 0 JKAARO CC[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000013369408 555391169 /nfs/dbraw/zinc/39/11/69/555391169.db2.gz TWJGXJQTLPZHLM-AREMUKBSSA-N 1 0 487.047 6.089 50 0 JKAARO FC(F)(F)c1cccc(C[NH+]2CCC(c3cc(-c4cccc(C(F)(F)F)c4)n[nH]3)CC2)c1 ZINC000013398363 555395241 /nfs/dbraw/zinc/39/52/41/555395241.db2.gz OKWFAIAJKRBMPT-UHFFFAOYSA-N 1 0 453.430 6.494 50 0 JKAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cn(C2CCCCC2)c(=O)c2c1c1ccccc1n2C ZINC000009674065 555398584 /nfs/dbraw/zinc/39/85/84/555398584.db2.gz VJHZRYNRITZPAE-NRFANRHFSA-N 1 0 476.665 5.383 50 0 JKAARO CC[N@H+](CCCNC(=O)c1cn(C2CCCCC2)c(=O)c2c1c1ccccc1n2C)Cc1ccccc1 ZINC000009674060 555398594 /nfs/dbraw/zinc/39/85/94/555398594.db2.gz SXNVDBUCKLPZIX-UHFFFAOYSA-N 1 0 498.671 5.640 50 0 JKAARO Cc1ccc(COc2cc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)c3ccccc3n2)cc1 ZINC000009587968 555399890 /nfs/dbraw/zinc/39/98/90/555399890.db2.gz MNIOJRZKMMLHET-UHFFFAOYSA-N 1 0 465.597 5.517 50 0 JKAARO Cc1cccc(-c2nc3ccc(C(=O)NCC[N@@H+](C)C4CCCCC4)cc3nc2-c2cccc(C)c2)c1 ZINC000009589485 555402749 /nfs/dbraw/zinc/40/27/49/555402749.db2.gz VFIGOMKQVHEAJQ-UHFFFAOYSA-N 1 0 492.667 6.575 50 0 JKAARO CCC[NH+](CCC)CCNC(=O)c1ccc2nc(-c3cccc(C)c3)c(-c3cccc(C)c3)nc2c1 ZINC000009589470 555402829 /nfs/dbraw/zinc/40/28/29/555402829.db2.gz MUPCHAHQSIISFM-UHFFFAOYSA-N 1 0 480.656 6.432 50 0 JKAARO Cc1cccc(-c2nc3ccc(C(=O)NCC[NH+]4CCCCC4)cc3nc2-c2cccc(C)c2)c1 ZINC000009589509 555403035 /nfs/dbraw/zinc/40/30/35/555403035.db2.gz RNGRJXWWIOGGKF-UHFFFAOYSA-N 1 0 464.613 5.796 50 0 JKAARO COc1ccc(Nc2cc(C(=O)NCCC[N@H+]3C[C@H](C)C[C@H](C)C3)c3ccccc3n2)c(OC)c1 ZINC000009680663 555408550 /nfs/dbraw/zinc/40/85/50/555408550.db2.gz CERLAXXOQDJKDM-BGYRXZFFSA-N 1 0 476.621 5.093 50 0 JKAARO O=C(NCC[N@@H+]1CCc2ccccc2C1)c1cc(-c2ccc(Br)s2)nc2ccccc21 ZINC000009598060 555415737 /nfs/dbraw/zinc/41/57/37/555415737.db2.gz DHQNQYKXEWHQNP-UHFFFAOYSA-N 1 0 492.442 5.514 50 0 JKAARO CCCC[NH+](CCCC)CCNC(=O)c1ccc2c(c1)N=C(C)c1cc(Cl)ccc1S2 ZINC000009608047 555434618 /nfs/dbraw/zinc/43/46/18/555434618.db2.gz HUUSMUXXSAGZTE-UHFFFAOYSA-N 1 0 458.071 6.577 50 0 JKAARO Cc1nn2c(nc(C)c(CCC(=O)NC3CC[NH+](Cc4ccccc4)CC3)c2C)c1-c1ccc(F)cc1 ZINC000009609440 555437748 /nfs/dbraw/zinc/43/77/48/555437748.db2.gz GHZSBOMKMGHYDR-UHFFFAOYSA-N 1 0 499.634 5.174 50 0 JKAARO COc1ccccc1Nc1c2cc(NC(=O)c3ccc4c(c3)OCO4)ccc2[nH+]c2c1CCCC2 ZINC000009612243 555444735 /nfs/dbraw/zinc/44/47/35/555444735.db2.gz DHCCBDOQEYOVPP-UHFFFAOYSA-N 1 0 467.525 5.847 50 0 JKAARO COc1ccccc1Nc1c2cc(NC(=O)c3ccccc3Cl)ccc2[nH+]c2c1CCCC2 ZINC000009612240 555444786 /nfs/dbraw/zinc/44/47/86/555444786.db2.gz KIDXFUVVSQPWEK-UHFFFAOYSA-N 1 0 457.961 6.772 50 0 JKAARO COc1cccc(C(=O)Nc2ccc3[nH+]c4c(c(Nc5ccc(OC)c(OC)c5)c3c2)CCCC4)c1 ZINC000009612250 555444873 /nfs/dbraw/zinc/44/48/73/555444873.db2.gz BONVNDQZXOVVMC-UHFFFAOYSA-N 1 0 483.568 6.135 50 0 JKAARO COc1ccc(CN(CC[C@]2(Cc3ccccc3)C[C@@H](C)[N@H+](C)C[C@@H]2C)C(C)=O)cc1OC ZINC000013511580 555483276 /nfs/dbraw/zinc/48/32/76/555483276.db2.gz QMYJRGWDZJUCJC-PFPZSTESSA-N 1 0 452.639 5.032 50 0 JKAARO Cc1cccc(NC(=S)N(CCC[NH+]2CCCC2)Cc2cccn2Cc2ccc(Cl)cc2)c1 ZINC000013543588 555489441 /nfs/dbraw/zinc/48/94/41/555489441.db2.gz YWLOVUQANAXWLU-UHFFFAOYSA-N 1 0 481.109 6.183 50 0 JKAARO Cc1cc(C)c(N2CC[NH+](C[C@H](O)COc3ccc4cc(Br)ccc4c3)CC2)c(C)c1 ZINC000019879922 555525122 /nfs/dbraw/zinc/52/51/22/555525122.db2.gz WEXJNGPKUPZYFX-DEOSSOPVSA-N 1 0 483.450 5.089 50 0 JKAARO CCc1cc([C@@H](c2ccccc2OC)N2CC[NH+](CC)CC2)c(NC(=O)c2ccccc2)s1 ZINC000019880726 555525963 /nfs/dbraw/zinc/52/59/63/555525963.db2.gz YWGLFTSQQASXSC-RUZDIDTESA-N 1 0 463.647 5.298 50 0 JKAARO Cn1c2ccc(Cl)cc2c(-c2ccc(Cl)cc2)c1C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000019894328 555532192 /nfs/dbraw/zinc/53/21/92/555532192.db2.gz ANGCSENRWNNGFB-UHFFFAOYSA-N 1 0 470.444 6.243 50 0 JKAARO CCn1c2ccccc2c2cc(C[NH+]3CCN(Cc4ccccc4C(F)(F)F)CC3)ccc21 ZINC000019900188 555535329 /nfs/dbraw/zinc/53/53/29/555535329.db2.gz RHHSHWCCDKCWPR-UHFFFAOYSA-N 1 0 451.536 6.151 50 0 JKAARO CSc1ccc(CC[NH2+]C[C@@H]2[C@H](Oc3ccc(Cl)cc3)C(=O)N2c2ccccc2C)cc1 ZINC000009835462 555540496 /nfs/dbraw/zinc/54/04/96/555540496.db2.gz VRNTYKKUYIZYCO-RPBOFIJWSA-N 1 0 467.034 5.365 50 0 JKAARO CCCCn1c(-c2ccc(OCC)cc2)c[nH+]c1NCc1cccc(OCc2ccccc2)c1 ZINC000009846070 555545690 /nfs/dbraw/zinc/54/56/90/555545690.db2.gz GZFQJGGUOITZFG-UHFFFAOYSA-N 1 0 455.602 6.940 50 0 JKAARO COc1cccc(C2=CSC3=NC4=C(C[N@H+](C)C/C4=C\c4ccccc4)[C@H](c4ccccc4)N23)c1 ZINC000013660529 555556253 /nfs/dbraw/zinc/55/62/53/555556253.db2.gz RJGOHYJSNQTSDS-IMBQCAHCSA-N 1 0 477.633 6.436 50 0 JKAARO CC(C)c1ccc(Nc2nc(N)nc(CN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)n2)cc1 ZINC000019944396 555562779 /nfs/dbraw/zinc/56/27/79/555562779.db2.gz YVQVMVFQVLVTHU-UHFFFAOYSA-N 1 0 493.659 5.228 50 0 JKAARO CC[NH+]1CCC(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2C(C)C)CC1 ZINC000009968451 555566002 /nfs/dbraw/zinc/56/60/02/555566002.db2.gz OSUVLWMYTZNWEN-UHFFFAOYSA-N 1 0 498.096 5.404 50 0 JKAARO Clc1ccc([C@H](c2ccccc2Cl)n2nnnc2C2(NCc3ccccc3)CCCCC2)cc1 ZINC000009969702 555566269 /nfs/dbraw/zinc/56/62/69/555566269.db2.gz QHQBSEPBNNSUCX-RUZDIDTESA-N 1 0 492.454 6.567 50 0 JKAARO Cc1ccc(/C=C2\C[N@@H+](C)CC3=C2N=C2SC=C(c4ccccc4)N2[C@H]3c2ccc(C)cc2)cc1 ZINC000013689506 555583189 /nfs/dbraw/zinc/58/31/89/555583189.db2.gz BZAHCLJEYYVCBQ-FTFCHFIQSA-N 1 0 475.661 7.045 50 0 JKAARO C[C@H](CCc1ccccc1)[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)c(Br)c1 ZINC000013726618 555601025 /nfs/dbraw/zinc/60/10/25/555601025.db2.gz GFFWCWGHPRKOJW-GOSISDBHSA-N 1 0 458.827 6.792 50 0 JKAARO CC1(C)CC(NC(=O)[C@H](NC(=O)C(c2ccccc2)c2ccccc2)c2ccccc2)CC(C)(C)[NH2+]1 ZINC000013727951 555601951 /nfs/dbraw/zinc/60/19/51/555601951.db2.gz VZAPSFVFTMKZJL-HHHXNRCGSA-N 1 0 483.656 5.101 50 0 JKAARO CC(C)c1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C4N=NC(=S)N4CCC[NH+](C)C)cc3N2)cc1 ZINC000020028582 555604226 /nfs/dbraw/zinc/60/42/26/555604226.db2.gz OVCYCJOMHQMVGG-IEBWSBKVSA-N 1 0 493.603 5.166 50 0 JKAARO O=c1c(-c2ccccc2)coc2c1ccc1c2CN(C2CC[NH+](Cc3ccccc3)CC2)CO1 ZINC000013736107 555606081 /nfs/dbraw/zinc/60/60/81/555606081.db2.gz LVVFBZOCPJGGLW-UHFFFAOYSA-N 1 0 452.554 5.277 50 0 biogenic JKAARO [NH2+]=C1Nc2nc3ccccc3n2[C@@H](c2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc2)N1 ZINC000010059077 555609086 /nfs/dbraw/zinc/60/90/86/555609086.db2.gz KKRHQNSGMQFWRG-NSOVKSMOSA-N 1 0 483.579 5.679 50 0 JKAARO COc1ccc2sc(N(CCC[NH+](C)C)C(=O)c3ccc(C(=O)c4ccccc4)cc3)nc2c1 ZINC000010068384 555614366 /nfs/dbraw/zinc/61/43/66/555614366.db2.gz WLHYVTHSELEICV-UHFFFAOYSA-N 1 0 473.598 5.134 50 0 JKAARO CC1CC[NH+](CCCN(Cc2cccs2)C(=S)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC000020107679 555641514 /nfs/dbraw/zinc/64/15/14/555641514.db2.gz RQBGAPXZSWHORT-UHFFFAOYSA-N 1 0 479.715 6.861 50 0 JKAARO S=C(Nc1ccc(Oc2ccccc2)cc1)N(CCC[NH+]1CCCCCC1)Cc1cccs1 ZINC000020107685 555641826 /nfs/dbraw/zinc/64/18/26/555641826.db2.gz UQUDZIZHSHIASS-UHFFFAOYSA-N 1 0 479.715 7.006 50 0 JKAARO COc1ccc(Cl)cc1NC(=S)N(CCC[NH+]1CCC(C)CC1)Cc1cccs1 ZINC000020107762 555641847 /nfs/dbraw/zinc/64/18/47/555641847.db2.gz WQYNARBIVUFFLP-UHFFFAOYSA-N 1 0 452.089 5.731 50 0 JKAARO CC[NH+]1CCN(c2cc(C)c3cc(NC(=O)[C@H](c4ccccc4)C4CCCC4)ccc3n2)CC1 ZINC000020108623 555643821 /nfs/dbraw/zinc/64/38/21/555643821.db2.gz XUXJPBMTZZLRHL-MUUNZHRXSA-N 1 0 456.634 5.598 50 0 JKAARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH+]4CCN(C(c5ccccc5)c5ccccc5)CC4)[C@H]3C=C12 ZINC000020112183 555649204 /nfs/dbraw/zinc/64/92/04/555649204.db2.gz NBJASNUKULGOJS-QJLMVVSCSA-N 1 0 484.684 5.708 50 0 biogenic JKAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1csc(NC(=O)c2ccc(Cl)c(Cl)c2)n1 ZINC000013987195 555667413 /nfs/dbraw/zinc/66/74/13/555667413.db2.gz RTOUTYGTQGQPQE-UHFFFAOYSA-N 1 0 489.428 5.097 50 0 JKAARO C[NH+](C)CCCNC(=O)c1ccccc1NC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000010312855 555678892 /nfs/dbraw/zinc/67/88/92/555678892.db2.gz UXNPWFZTIGUOLY-UHFFFAOYSA-N 1 0 460.361 5.187 50 0 JKAARO CCOc1cc(C[NH2+]C2C3CC4CC(C3)CC2C4)cc(Cl)c1OCc1ccccc1Cl ZINC000020175719 555681634 /nfs/dbraw/zinc/68/16/34/555681634.db2.gz ZBSQKIBFEDKFCR-UHFFFAOYSA-N 1 0 460.445 6.885 50 0 JKAARO COc1ccc(CC[NH2+]Cc2c(C)n(Cc3ccc(Cl)cc3Cl)c3ccccc32)cc1 ZINC000010315624 555682307 /nfs/dbraw/zinc/68/23/07/555682307.db2.gz BKHZUYCKXKOMCL-UHFFFAOYSA-N 1 0 453.413 6.646 50 0 JKAARO CC1=Nc2cc(C(=O)NCCC[N@H+]3C[C@H](C)C[C@H](C)C3)ccc2Sc2ccc(Cl)cc21 ZINC000020178876 555684388 /nfs/dbraw/zinc/68/43/88/555684388.db2.gz MEXZJMPUGNKWBQ-CALCHBBNSA-N 1 0 456.055 6.043 50 0 JKAARO CC[NH+](CC)CC(=O)N1N=C(c2ccccc2)C[C@@H]1c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000014092633 555685240 /nfs/dbraw/zinc/68/52/40/555685240.db2.gz OTQSTMSWQWIBTM-MUUNZHRXSA-N 1 0 477.612 5.559 50 0 JKAARO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2ccc3c(c2)N(C)C(=O)/C(=C/c2cccc(Cl)c2)S3)C1 ZINC000020179890 555685800 /nfs/dbraw/zinc/68/58/00/555685800.db2.gz KUZDAWGVCLCHET-KLLVMDPRSA-N 1 0 498.092 5.547 50 0 JKAARO COc1ccc([C@@H](NC(=O)C[NH2+][C@H](C)c2ccc(Br)cc2)c2ccccc2)cc1 ZINC000014095126 555687693 /nfs/dbraw/zinc/68/76/93/555687693.db2.gz TWYOVEKATKSKIA-OSPHWJPCSA-N 1 0 453.380 5.014 50 0 JKAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)CN2C(=O)/C(=C\c3cccc(Cl)c3)Sc3ccccc32)C1 ZINC000020181093 555687932 /nfs/dbraw/zinc/68/79/32/555687932.db2.gz AQYNJQLGLPYHEP-LZSGNZRWSA-N 1 0 498.092 5.304 50 0 JKAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)CN1C(=O)/C(=C/c2ccccc2F)Sc2ccccc21 ZINC000020181190 555688008 /nfs/dbraw/zinc/68/80/08/555688008.db2.gz MYIWWTPHXVNFKQ-IMQIKVDYSA-N 1 0 481.637 5.076 50 0 JKAARO CCc1ccc(/C=C2/Sc3ccccc3N(CC(=O)NCCC[N@H+]3CCCC[C@@H]3CC)C2=O)cc1 ZINC000020181652 555688817 /nfs/dbraw/zinc/68/88/17/555688817.db2.gz KDCUHRUWXNCTEV-QNJFXAKOSA-N 1 0 491.701 5.500 50 0 JKAARO Cc1ccc(-c2csc3[nH]c(C[NH2+][C@@H](c4ccc5c(c4)OCCO5)C(C)C)nc(=O)c23)s1 ZINC000014123985 555695645 /nfs/dbraw/zinc/69/56/45/555695645.db2.gz GBFLHRYFSYTYHO-JOCHJYFZSA-N 1 0 467.616 5.280 50 0 JKAARO COc1ccc(-c2[nH]c3ccc(F)cc3c2CCC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000010405185 555705967 /nfs/dbraw/zinc/70/59/67/555705967.db2.gz CJQMONLZPKRYMN-UHFFFAOYSA-N 1 0 451.586 5.341 50 0 JKAARO COc1ccc(NC(C)=O)cc1NC(=O)C[NH2+][C@H](c1ccc(C2CCCCC2)cc1)C(C)C ZINC000014141522 555706827 /nfs/dbraw/zinc/70/68/27/555706827.db2.gz OCSQXCXIMWQNIZ-MHZLTWQESA-N 1 0 451.611 5.627 50 0 JKAARO Clc1ccccc1C[NH2+]Cc1cc(Br)c(OCc2ccccc2)c(Br)c1 ZINC000010474123 555718523 /nfs/dbraw/zinc/71/85/23/555718523.db2.gz FSWOTWHVZFKASL-UHFFFAOYSA-N 1 0 495.642 6.734 50 0 JKAARO CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000014182965 555724424 /nfs/dbraw/zinc/72/44/24/555724424.db2.gz CEVYBOODYSPHQL-UHFFFAOYSA-N 1 0 485.031 6.061 50 0 JKAARO O=C(Nc1ccccc1C(=O)NCc1ccco1)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000014186215 555727615 /nfs/dbraw/zinc/72/76/15/555727615.db2.gz LVSCYNINSGTEKI-UHFFFAOYSA-N 1 0 465.553 5.020 50 0 JKAARO O=C(CSc1c2cc(Cl)ccc2nc2c1CCCC2)N1CC[NH+](C2CCCCC2)CC1 ZINC000020239256 555733418 /nfs/dbraw/zinc/73/34/18/555733418.db2.gz ZQWWVYMWIONGFN-UHFFFAOYSA-N 1 0 458.071 5.336 50 0 JKAARO CCCCn1c(=S)n(CN2CCC[C@@H]2c2cc(OC)ccc2OC)nc1[C@@H](CC)[NH+](C)C ZINC000014229695 555736644 /nfs/dbraw/zinc/73/66/44/555736644.db2.gz RGMISIFYKJPALE-NHCUHLMSSA-N 1 0 461.676 5.039 50 0 JKAARO O=C(c1cc2cc(C3(O)CC[NH+](Cc4ccoc4)CC3)ccc2o1)N1CCC[C@H](c2ccccc2)CC1 ZINC000020271649 555748918 /nfs/dbraw/zinc/74/89/18/555748918.db2.gz FOKFSGPNGGAWGJ-VWLOTQADSA-N 1 0 498.623 5.919 50 0 JKAARO Cc1ccc2nc(Cl)c3cc(C(=O)Nc4ccccc4N4CC[NH+](C)CC4)sc3c2c1 ZINC000020321498 555770444 /nfs/dbraw/zinc/77/04/44/555770444.db2.gz VOKDIAFYJMZNLR-UHFFFAOYSA-N 1 0 450.995 5.415 50 0 JKAARO O=c1c2c(ncn1CCCc1ccccc1)sc1c2CC[C@H]([NH2+]Cc2cc(F)ccc2F)C1 ZINC000020352169 555780352 /nfs/dbraw/zinc/78/03/52/555780352.db2.gz UONFQIYLUFEQDK-FQEVSTJZSA-N 1 0 465.569 5.016 50 0 JKAARO Cc1ccc(/C=C2/Sc3ccc(C(=O)NCCC[N@H+]4C[C@H](C)C[C@H](C)C4)cc3NC2=O)cc1 ZINC000020355265 555783021 /nfs/dbraw/zinc/78/30/21/555783021.db2.gz JWWONESRKYLGCZ-DZIBZFBXSA-N 1 0 463.647 5.178 50 0 JKAARO COc1cc2ccccc2cc1C(=O)N(CC[NH+](C)C)c1nc2ccc(Br)cc2s1 ZINC000011612414 555789863 /nfs/dbraw/zinc/78/98/63/555789863.db2.gz YDEYRVUBORFZKL-UHFFFAOYSA-N 1 0 484.419 5.429 50 0 JKAARO C[C@@H]1C[C@H](C)C[N@@H+](C[C@@H](O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)C1 ZINC000011612288 555789898 /nfs/dbraw/zinc/78/98/98/555789898.db2.gz KZNBPVRNIXGECF-RVKKMQEKSA-N 1 0 494.271 5.658 50 0 JKAARO CCCOc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCC[NH+](CC)CC)cc1OC ZINC000011614727 555791255 /nfs/dbraw/zinc/79/12/55/555791255.db2.gz IKJOKODOGAJDSI-SANMLTNESA-N 1 0 492.616 5.176 50 0 JKAARO CCCOc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCC[NH+](CC)CC)cc1 ZINC000011614724 555791258 /nfs/dbraw/zinc/79/12/58/555791258.db2.gz KHCCBPDHRVHPHU-RUZDIDTESA-N 1 0 462.590 5.167 50 0 JKAARO CC[C@H](NC(=O)Nc1cc(Cl)c(OC)cc1OC)c1c2c(sc1-n1cccc1)C[N@@H+](C)CC2 ZINC000020532130 555799920 /nfs/dbraw/zinc/79/99/20/555799920.db2.gz NDLIUKAURBQSAF-KRWDZBQOSA-N 1 0 489.041 5.470 50 0 JKAARO CCOC(=O)c1c(NC(=O)N2CCC[C@H](C[N@@H+]3CCc4ccccc4C3)C2)sc2c1CCCC2 ZINC000020532119 555800157 /nfs/dbraw/zinc/80/01/57/555800157.db2.gz BMUSBBAXQRVKBE-LJQANCHMSA-N 1 0 481.662 5.106 50 0 JKAARO Cc1cc(C)cc(NC(=O)N[C@@H](CCC(C)C)c2c3c(sc2-n2cccc2)C[N@@H+](C)CC3)c1 ZINC000020532152 555800440 /nfs/dbraw/zinc/80/04/40/555800440.db2.gz UEGHOKCLJJXPKG-QHCPKHFHSA-N 1 0 464.679 6.443 50 0 JKAARO Cc1ccc(NC(=O)N[C@@H](CCC(C)C)c2c3c(sc2-n2cccc2)C[N@@H+](C)CC3)cc1C ZINC000020532150 555800499 /nfs/dbraw/zinc/80/04/99/555800499.db2.gz JOPWXRBWGPTFKS-QHCPKHFHSA-N 1 0 464.679 6.443 50 0 JKAARO Cc1ccccc1NC(=O)N[C@H](CCC(C)C)c1c2c(sc1-n1cccc1)C[N@@H+](C)CC2 ZINC000020532159 555800532 /nfs/dbraw/zinc/80/05/32/555800532.db2.gz ALTJTHKHIUKWOT-JOCHJYFZSA-N 1 0 450.652 6.134 50 0 JKAARO COc1ccc(NC(=O)N[C@H](CCC(C)C)c2c3c(sc2-n2cccc2)C[N@@H+](C)CC3)c(OC)c1 ZINC000020532172 555800535 /nfs/dbraw/zinc/80/05/35/555800535.db2.gz HPTWROSYXOLXPS-JOCHJYFZSA-N 1 0 496.677 5.843 50 0 JKAARO CC[N@@H+]1CCc2c(sc(-n3cccc3)c2[C@@H](CCC(C)C)NC(=O)Nc2cccc(C)c2)C1 ZINC000020532197 555800861 /nfs/dbraw/zinc/80/08/61/555800861.db2.gz BSALCXISIGFOLA-HSZRJFAPSA-N 1 0 464.679 6.524 50 0 JKAARO CC(C)CC[C@H](NC(=O)NC12CC3CC(CC(C3)C1)C2)c1c2c(sc1-n1cccc1)C[N@@H+](C)CC2 ZINC000020532180 555800878 /nfs/dbraw/zinc/80/08/78/555800878.db2.gz FSXBQUVZGIXUSM-IPGZOCRXSA-N 1 0 494.749 6.272 50 0 JKAARO CC[N@@H+]1CCc2c(sc(-n3cccc3)c2[C@@H](CCC(C)C)NC(=O)NCc2ccccc2)C1 ZINC000020532201 555800944 /nfs/dbraw/zinc/80/09/44/555800944.db2.gz AKIKVGYDLJAEFX-HSZRJFAPSA-N 1 0 464.679 5.894 50 0 JKAARO CC(C)c1cc(C(C)C)c(S(=O)(=O)N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)c(C(C)C)c1 ZINC000020550069 555806996 /nfs/dbraw/zinc/80/69/96/555806996.db2.gz CTESWISLCPKUNU-UHFFFAOYSA-N 1 0 486.766 6.332 50 0 JKAARO CCOc1cccc(-c2cc(C(=O)NC3CC[NH+](CC)CC3)c3cc(Br)ccc3n2)c1 ZINC000020562590 555813978 /nfs/dbraw/zinc/81/39/78/555813978.db2.gz NWVTVLXGKUNXKO-UHFFFAOYSA-N 1 0 482.422 5.277 50 0 JKAARO CN(C(=O)c1ccco1)[C@@H](Cc1ccc(F)cc1F)C1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000011786929 555820566 /nfs/dbraw/zinc/82/05/66/555820566.db2.gz JQIWPYDABQICDH-VWLOTQADSA-N 1 0 480.555 5.088 50 0 JKAARO Cc1nc2cc(NC(=O)[C@@H]3C[C@@H](Sc4ccccn4)C[N@@H+]3CCCc3ccccc3)ccc2s1 ZINC000011787200 555820959 /nfs/dbraw/zinc/82/09/59/555820959.db2.gz SMOSRRJDKIHZIV-VWNXMTODSA-N 1 0 488.682 5.806 50 0 JKAARO COc1ccc(CC(=O)Nc2ccc(N3CCC([NH2+]CCc4ccccc4Cl)CC3)cc2)cc1 ZINC000011787242 555820999 /nfs/dbraw/zinc/82/09/99/555820999.db2.gz LYNRTSYPMQOGCS-UHFFFAOYSA-N 1 0 478.036 5.331 50 0 JKAARO O=C(CCc1ccccc1)Nc1ccc(N2CCC([NH2+]Cc3ccc4ncccc4c3)CC2)cc1 ZINC000011788874 555823221 /nfs/dbraw/zinc/82/32/21/555823221.db2.gz FECXROCAQIUFMM-UHFFFAOYSA-N 1 0 464.613 5.565 50 0 JKAARO Cc1cc(C)c(C[NH+]2CCC3(CC2)C(=O)N(Cc2ccccn2)C(=O)N3Cc2ccccc2)cc1C ZINC000014535908 555825021 /nfs/dbraw/zinc/82/50/21/555825021.db2.gz QWBXFWLYCSEMMO-UHFFFAOYSA-N 1 0 482.628 5.006 50 0 JKAARO O=C(NCc1cccnc1)c1ccc(N2CCC([NH2+]CC[C@H](c3ccco3)c3ccccc3)CC2)cc1 ZINC000011790223 555826024 /nfs/dbraw/zinc/82/60/24/555826024.db2.gz CLPJENQMYAPHEX-LJAQVGFWSA-N 1 0 494.639 5.385 50 0 JKAARO C[C@@H](Cc1cncs1)[NH2+]C1CCN(c2cccc(NC(=O)CCCc3ccccc3)c2)CC1 ZINC000011790722 555826937 /nfs/dbraw/zinc/82/69/37/555826937.db2.gz IWZBOTLFLSWLRM-NRFANRHFSA-N 1 0 462.663 5.294 50 0 JKAARO Cc1cc(NC(=O)Nc2ccc3nc(N4CC[NH+](C)CC4)cc(C)c3c2)ccc1Br ZINC000020574580 555829093 /nfs/dbraw/zinc/82/90/93/555829093.db2.gz IPVYKRNWKGXFGP-UHFFFAOYSA-N 1 0 468.399 5.010 50 0 JKAARO Cc1ccc(-n2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c2C2CC[NH2+]CC2)cc1C ZINC000020575037 555829807 /nfs/dbraw/zinc/82/98/07/555829807.db2.gz MUEUVSDIPSQUHO-UHFFFAOYSA-N 1 0 458.484 5.107 50 0 JKAARO CCOc1ccccc1C(=O)Nc1c2ccccc2oc1C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000020576221 555831094 /nfs/dbraw/zinc/83/10/94/555831094.db2.gz ZSKUHKQGUXUDOW-UHFFFAOYSA-N 1 0 475.589 5.174 50 0 JKAARO COc1ccc(CN2C(=O)N(C)C3(CC[NH+](Cc4cccc(-c5ccccc5C)c4)CC3)C2=O)cc1 ZINC000014541873 555832609 /nfs/dbraw/zinc/83/26/09/555832609.db2.gz TVFSMADDWHYASU-UHFFFAOYSA-N 1 0 483.612 5.099 50 0 JKAARO CCOc1ccccc1C[NH+]1CCC([C@@H](Cc2ccccc2)N(CC)C(=O)C2CCOCC2)CC1 ZINC000011840656 555833537 /nfs/dbraw/zinc/83/35/37/555833537.db2.gz LRCCMMIXRMTCED-MUUNZHRXSA-N 1 0 478.677 5.184 50 0 JKAARO COc1ccc(-c2ccc(C(=O)NC[C@@H]3CCC4(CC[NH+](Cc5ccc(F)cc5)CC4)O3)o2)cc1 ZINC000011841349 555833847 /nfs/dbraw/zinc/83/38/47/555833847.db2.gz PREQPLRFSHWLDW-DEOSSOPVSA-N 1 0 478.564 5.038 50 0 JKAARO Cc1nn(-c2cccc(Cl)c2C)c2nc(C)cc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)c12 ZINC000020579078 555833962 /nfs/dbraw/zinc/83/39/62/555833962.db2.gz YPSNVQPXHXFUFH-UHFFFAOYSA-N 1 0 488.035 5.394 50 0 JKAARO CCCCn1c(C[NH+]2CCCCCC2)nc2cc(NC(=O)COc3ccccc3Cl)ccc21 ZINC000020594968 555838666 /nfs/dbraw/zinc/83/86/66/555838666.db2.gz DQUHEBRKZDRKQW-UHFFFAOYSA-N 1 0 469.029 5.883 50 0 JKAARO O=C(CC1CCCC1)N1CCC[C@@H](COc2ccc(C[NH+]3CCN(c4ccccc4)CC3)cc2)C1 ZINC000014998484 555842872 /nfs/dbraw/zinc/84/28/72/555842872.db2.gz VVJITDCEMPBRTE-HHHXNRCGSA-N 1 0 475.677 5.207 50 0 JKAARO CC(C)NC(=O)[C@@H]1C[C@H](Sc2nc3ccccc3[nH]2)C[N@@H+]1Cc1ccc(-c2ccccc2)cc1 ZINC000014998504 555842972 /nfs/dbraw/zinc/84/29/72/555842972.db2.gz SEDYNSJSNYAPMV-OZXSUGGESA-N 1 0 470.642 5.490 50 0 JKAARO C[N@H+](Cc1cc2ccccc2s1)Cc1ccc(OC2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000015000192 555844706 /nfs/dbraw/zinc/84/47/06/555844706.db2.gz XRDOSFGEPXNPBQ-UHFFFAOYSA-N 1 0 460.599 5.810 50 0 JKAARO COc1cccc(C[C@@H](C2CC[NH+](Cc3ccc(F)c(OC)c3)CC2)N(C)C(=O)c2ccco2)c1 ZINC000015001507 555846467 /nfs/dbraw/zinc/84/64/67/555846467.db2.gz OOPKDMCRNCIXME-VWLOTQADSA-N 1 0 480.580 5.031 50 0 JKAARO CCOc1cc(C[NH+]2CCC([C@H](Cc3ccccc3)N(C(=O)c3ccco3)C3CC3)CC2)ccc1O ZINC000015001990 555846912 /nfs/dbraw/zinc/84/69/12/555846912.db2.gz IQKOYIDMDABMPW-SANMLTNESA-N 1 0 488.628 5.512 50 0 JKAARO CCOc1cc(C[NH+]2CCC([C@@H](Cc3ccccc3)N(C(=O)c3ccco3)C3CC3)CC2)ccc1O ZINC000015001987 555846958 /nfs/dbraw/zinc/84/69/58/555846958.db2.gz IQKOYIDMDABMPW-AREMUKBSSA-N 1 0 488.628 5.512 50 0 JKAARO COc1cccc(C[NH2+]C2CCN(c3ccc(NC(=O)CCc4ccccc4)cc3)CC2)c1OC ZINC000015002334 555847215 /nfs/dbraw/zinc/84/72/15/555847215.db2.gz MVDDLORMUAXFEO-UHFFFAOYSA-N 1 0 473.617 5.034 50 0 JKAARO CC(C)C[NH+]1CCC(O)(c2ccc3oc(C(=O)N4CCC[C@@H](c5ccccc5)CC4)cc3c2)CC1 ZINC000015003665 555848622 /nfs/dbraw/zinc/84/86/22/555848622.db2.gz QKRDGUZVVPWXRH-XMMPIXPASA-N 1 0 474.645 5.782 50 0 JKAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]1c2ccccc2C(=O)N(CC(C)C)[C@@H]1c1cccs1 ZINC000020904302 555848859 /nfs/dbraw/zinc/84/88/59/555848859.db2.gz GWEMFKTUERXUNW-QGUKFAFCSA-N 1 0 481.706 5.456 50 0 JKAARO O=C(CCCc1ccccc1)Nc1cccc(N2CCC([NH+]3CCN(c4ccccc4O)CC3)CC2)c1 ZINC000015003827 555848922 /nfs/dbraw/zinc/84/89/22/555848922.db2.gz UBRJOGYFYRZXMC-UHFFFAOYSA-N 1 0 498.671 5.145 50 0 JKAARO COCCCn1cnc2sc3c(c2c1=O)CC[C@H]([NH2+]CCC(c1ccccc1)c1ccccc1)C3 ZINC000015004115 555849236 /nfs/dbraw/zinc/84/92/36/555849236.db2.gz SSQWULILHVACNR-QHCPKHFHSA-N 1 0 487.669 5.164 50 0 JKAARO CN(C(=O)c1cccs1)[C@@H](Cc1ccccc1)C1CC[NH+](Cc2ccc3cccnc3c2)CC1 ZINC000011881281 555849633 /nfs/dbraw/zinc/84/96/33/555849633.db2.gz HTPNAQKIDNSIFL-MHZLTWQESA-N 1 0 469.654 5.892 50 0 JKAARO Cc1ccccc1Cn1c2ccccc2nc1N1CCC(C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)CC1 ZINC000021160284 555850101 /nfs/dbraw/zinc/85/01/01/555850101.db2.gz IFIVURLKKUQVJW-QFZWGZQFSA-N 1 0 458.650 5.550 50 0 JKAARO Cc1ccc(C)c(Cn2c3ccccc3nc2N2CCC(C(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)CC2)c1 ZINC000021159701 555850114 /nfs/dbraw/zinc/85/01/14/555850114.db2.gz HPRSFCAHJWHNRT-WHSBFGAESA-N 1 0 472.677 5.859 50 0 JKAARO O=C(c1cccnc1)N1CCC(Oc2ccc(C[NH+]3CCC(Cc4ccccc4)CC3)cc2)CC1 ZINC000015007854 555852269 /nfs/dbraw/zinc/85/22/69/555852269.db2.gz PJXRIZHIKKLVNP-UHFFFAOYSA-N 1 0 469.629 5.220 50 0 JKAARO CSc1ccc(C[NH+]2CCC([C@H](Cc3ccccc3)N(C)C(=O)c3cc(C)nn3C)CC2)cc1 ZINC000011909412 555856284 /nfs/dbraw/zinc/85/62/84/555856284.db2.gz OFSSATNUSVMOSQ-SANMLTNESA-N 1 0 476.690 5.046 50 0 JKAARO COc1ccc(-c2nc3cc(SC)ccc3cc2C[NH2+]Cc2cc(OC)cc(OC)c2)cc1 ZINC000011910553 555857953 /nfs/dbraw/zinc/85/79/53/555857953.db2.gz NTTLKLDQSLJTSA-UHFFFAOYSA-N 1 0 460.599 5.939 50 0 JKAARO CCOc1cc(C[NH+]2CCC([C@@H](Cc3ccccc3F)N(C)C(=O)c3cccs3)CC2)ccc1O ZINC000011910785 555858261 /nfs/dbraw/zinc/85/82/61/555858261.db2.gz FVDANEAZESNHHT-XMMPIXPASA-N 1 0 496.648 5.587 50 0 JKAARO Cc1ccccc1-c1ccc(C[NH+]2CCC3(C[C@@H]3C(=O)N3CCN(c4ccccc4)CC3)CC2)cc1 ZINC000011912423 555861002 /nfs/dbraw/zinc/86/10/02/555861002.db2.gz QTICDIDEGYBTCG-SSEXGKCCSA-N 1 0 479.668 5.613 50 0 JKAARO Cc1ccccc1-c1ccc(C[NH+]2CCC3(C[C@H]3C(=O)N3CCN(c4ccccc4)CC3)CC2)cc1 ZINC000011912424 555861076 /nfs/dbraw/zinc/86/10/76/555861076.db2.gz QTICDIDEGYBTCG-PMERELPUSA-N 1 0 479.668 5.613 50 0 JKAARO O=C(NCc1ccccc1)C1CC[NH+]([C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)CC1 ZINC000022011473 555861571 /nfs/dbraw/zinc/86/15/71/555861571.db2.gz BZDOERMTSNCGAO-MHZLTWQESA-N 1 0 451.570 5.120 50 0 JKAARO O=C1[C@@H]2[C@H](Cc3ccccc3)[NH2+][C@H](c3ccc(Cl)cc3Cl)[C@H]2C(=O)N1c1ccccc1 ZINC000015022335 555864073 /nfs/dbraw/zinc/86/40/73/555864073.db2.gz JZNSHSOKIWJMSS-GSPCLOLRSA-N 1 0 451.353 5.055 50 0 JKAARO Nc1c(-c2ccccc2)c(CN2CC[NH+](Cc3ccccc3)CC2)nn1-c1ccc(Cl)cc1 ZINC000022037836 555865243 /nfs/dbraw/zinc/86/52/43/555865243.db2.gz ZLXOOKWHVYPQQO-UHFFFAOYSA-N 1 0 458.009 5.093 50 0 JKAARO COc1ccc([C@@H](CNC(=O)c2oc3cc(C)c(Cl)cc3c2C)[NH+]2CCCCCC2)cc1 ZINC000011916630 555867625 /nfs/dbraw/zinc/86/76/25/555867625.db2.gz MDVINCJRPZXKAQ-HSZRJFAPSA-N 1 0 454.998 6.059 50 0 JKAARO Clc1ccc(COc2ccc(Cl)cc2C[NH2+]C2C3CC4CC(C3)CC2C4)c(Cl)c1 ZINC000022073909 555870601 /nfs/dbraw/zinc/87/06/01/555870601.db2.gz LINNUUSMAYHSER-UHFFFAOYSA-N 1 0 450.837 7.140 50 0 JKAARO CC[NH+](CC)[C@@H]1CCN(C(=O)c2c(=O)cc(C)n3c2C[C@H](c2ccsc2)Sc2ccccc2-3)C1 ZINC000015071609 555870998 /nfs/dbraw/zinc/87/09/98/555870998.db2.gz NIHSEULIUQLAAT-CJFMBICVSA-N 1 0 493.698 5.153 50 0 JKAARO COC(=O)c1sc2nc(C[NH+]3CCC4(C=Cc5ccccc54)CC3)ccc2c1NC(=O)C(C)C ZINC000011979698 555876193 /nfs/dbraw/zinc/87/61/93/555876193.db2.gz IOQSULZQVQYVJT-UHFFFAOYSA-N 1 0 475.614 5.238 50 0 JKAARO Cc1occc1C(=O)N(C)[C@H](Cc1ccccc1F)C1CC[NH+](Cc2cccc3nccnc23)CC1 ZINC000011982985 555877297 /nfs/dbraw/zinc/87/72/97/555877297.db2.gz KCEMGULIHRKBFC-HHHXNRCGSA-N 1 0 486.591 5.266 50 0 JKAARO C[N@H+](Cc1ccc(OC[C@@H]2CCCN(C(=O)c3ccco3)C2)cc1)Cc1cccc2ccccc21 ZINC000011999370 555882208 /nfs/dbraw/zinc/88/22/08/555882208.db2.gz XMSBBYJAUMXDQB-XMMPIXPASA-N 1 0 468.597 5.996 50 0 JKAARO COc1cc(C[NH+]2CCC([C@@H](Cc3ccccc3)N(C(=O)c3ccco3)C3CC3)CC2)ccc1F ZINC000012037179 555890456 /nfs/dbraw/zinc/89/04/56/555890456.db2.gz JTDSMVVARPYUJI-AREMUKBSSA-N 1 0 476.592 5.555 50 0 JKAARO COc1ccc(OC)c(C[NH+]2CCC([C@H](Cc3ccccc3Cl)N(C)C(=O)c3ccco3)CC2)c1 ZINC000012037602 555890651 /nfs/dbraw/zinc/89/06/51/555890651.db2.gz SXBIDSNZTIRJRA-VWLOTQADSA-N 1 0 497.035 5.546 50 0 JKAARO COc1ccc(-c2csc(N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)n2)cc1OC ZINC000015304474 555894341 /nfs/dbraw/zinc/89/43/41/555894341.db2.gz RZTXDFWQZARWIC-UHFFFAOYSA-N 1 0 471.626 5.739 50 0 JKAARO COc1ccc(C[NH2+]C2CCN(c3cccc(NC(=O)CCCc4ccccc4)c3)CC2)cc1OC ZINC000012055300 555898158 /nfs/dbraw/zinc/89/81/58/555898158.db2.gz CPKWBABRXXFNCR-UHFFFAOYSA-N 1 0 487.644 5.424 50 0 JKAARO CO[C@H]1[C@H](NC(=O)c2ccsc2)c2ccccc2C12CC[NH+](Cc1cc3ccccc3o1)CC2 ZINC000012080152 555903081 /nfs/dbraw/zinc/90/30/81/555903081.db2.gz RCPRJTJWCGPSRO-FTJBHMTQSA-N 1 0 472.610 5.528 50 0 JKAARO CN(C(=O)c1ccco1)[C@@H](Cc1ccccc1Cl)C1CC[NH+](Cc2cccc3c2OCO3)CC1 ZINC000012131523 555912003 /nfs/dbraw/zinc/91/20/03/555912003.db2.gz DYHNGDDSLZVZMF-QHCPKHFHSA-N 1 0 480.992 5.257 50 0 JKAARO COc1ccccc1C[NH+]1CCC([C@@H](Cc2ccccc2F)N(C)C(=O)c2cccs2)CC1 ZINC000012133952 555912763 /nfs/dbraw/zinc/91/27/63/555912763.db2.gz JBBVNUBOYFOKHD-XMMPIXPASA-N 1 0 466.622 5.491 50 0 JKAARO CC[NH+](CC)CCN(C(=O)c1ccc(C(C)=O)cc1)c1nc2ccc(Br)cc2s1 ZINC000012140846 555919659 /nfs/dbraw/zinc/91/96/59/555919659.db2.gz XSHOPBIIEASZLP-UHFFFAOYSA-N 1 0 474.424 5.250 50 0 JKAARO CCCCOc1ccc(C(=O)N(CC[NH+](CC)CC)c2nc3c(cccc3OC)s2)cc1 ZINC000012140858 555919682 /nfs/dbraw/zinc/91/96/82/555919682.db2.gz ZVYYVNGMXLNLKN-UHFFFAOYSA-N 1 0 455.624 5.472 50 0 JKAARO CCCCOc1ccc(C(=O)N(CC[NH+](CC)CC)c2nc3c(ccc(C)c3C)s2)cc1 ZINC000012140893 555920162 /nfs/dbraw/zinc/92/01/62/555920162.db2.gz AYCBRQAHKJDWFU-UHFFFAOYSA-N 1 0 453.652 6.081 50 0 JKAARO CC[NH+](CC)CCN(C(=O)c1cc2ccccc2cc1OC)c1nc2c(ccc(C)c2C)s1 ZINC000012140897 555920171 /nfs/dbraw/zinc/92/01/71/555920171.db2.gz VDYSDDMNHGVGGI-UHFFFAOYSA-N 1 0 461.631 6.064 50 0 JKAARO COc1cccc2sc(N(CCC[NH+](C)C)C(=O)c3ccc(Cc4ccccc4)cc3)nc21 ZINC000012140980 555920454 /nfs/dbraw/zinc/92/04/54/555920454.db2.gz FTAFLGXOZXYROP-UHFFFAOYSA-N 1 0 459.615 5.494 50 0 JKAARO COc1ccc(CCN(C(=O)c2cc(Cl)cc(Cl)c2)C2=C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1OC ZINC000015659086 555922439 /nfs/dbraw/zinc/92/24/39/555922439.db2.gz HKTDLPMNCCBFCN-RTWAWAEBSA-N 1 0 475.416 5.446 50 0 JKAARO COc1cccc(-n2c(SC[C@@H]3CCCO3)nnc2C2CC[NH+](Cc3cccc(F)c3)CC2)c1 ZINC000012151956 555925380 /nfs/dbraw/zinc/92/53/80/555925380.db2.gz YVUACMJOPQKLOA-DEOSSOPVSA-N 1 0 482.625 5.066 50 0 JKAARO O=C(c1ccc(N2CCC([NH2+]Cc3cc4ccccc4[nH]3)CC2)cc1)N1CCc2ccccc2C1 ZINC000012152876 555927334 /nfs/dbraw/zinc/92/73/34/555927334.db2.gz VMLYLHOWZUJZBH-UHFFFAOYSA-N 1 0 464.613 5.125 50 0 JKAARO C[N@H+](Cc1cccs1)Cc1ccc(OCC[C@H]2CCCCN2C(=O)c2cccc(Cl)c2)cc1 ZINC000012158908 555929656 /nfs/dbraw/zinc/92/96/56/555929656.db2.gz LEDBOLWAOKFVDL-XMMPIXPASA-N 1 0 483.077 6.497 50 0 JKAARO COc1cccc(C[NH+]2CCC([C@H](Cc3ccc(F)cc3F)N(C)C(=O)c3ccco3)CC2)c1 ZINC000012159683 555930380 /nfs/dbraw/zinc/93/03/80/555930380.db2.gz MNJJLWJGYVQOKL-VWLOTQADSA-N 1 0 468.544 5.162 50 0 JKAARO CCc1cc2c(cc3n2C[C@@](C)(C(=O)NC2CCCCCC2)N(CC[NH+]2CCCCCC2)C3=O)s1 ZINC000015673138 555931770 /nfs/dbraw/zinc/93/17/70/555931770.db2.gz FDUXVTUVWWXAHW-NDEPHWFRSA-N 1 0 498.737 5.195 50 0 JKAARO CCOc1cc(C[NH+]2CCC3(C[C@@H]3C(=O)NCCC(c3ccccc3)c3ccccc3)CC2)ccc1O ZINC000012166574 555933123 /nfs/dbraw/zinc/93/31/23/555933123.db2.gz QOVRSTHZLVICMN-MUUNZHRXSA-N 1 0 498.667 5.731 50 0 JKAARO CC(=O)Nc1ccc(C[NH+]2CCC3(C[C@@H]3C(=O)NCCC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000012167815 555933712 /nfs/dbraw/zinc/93/37/12/555933712.db2.gz ITICAZPBGGEBTQ-SSEXGKCCSA-N 1 0 495.667 5.586 50 0 JKAARO O=C(Nc1ccnn1C1CC[NH+](Cc2cc3ccccc3s2)CC1)c1ccccc1Cl ZINC000012193248 555940059 /nfs/dbraw/zinc/94/00/59/555940059.db2.gz ISDWKIOZSOALBS-UHFFFAOYSA-N 1 0 450.995 5.841 50 0 JKAARO Cc1c(Cl)cccc1NC(=O)N(Cc1ccc2c(c1)OCO2)C1CC[NH+](Cc2ccccc2)CC1 ZINC000015679718 555946492 /nfs/dbraw/zinc/94/64/92/555946492.db2.gz SNHUNCFEIMHHCA-UHFFFAOYSA-N 1 0 492.019 6.076 50 0 JKAARO CCOc1ccc(NC(=O)N(Cc2ccc3c(c2)OCO3)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000015679717 555946506 /nfs/dbraw/zinc/94/65/06/555946506.db2.gz KTUXJZPCEGWFHV-UHFFFAOYSA-N 1 0 487.600 5.513 50 0 JKAARO CCn1c2ccccc2c2cc(C[NH+]3CCC4(C[C@@H]4C(=O)NCCCc4ccncc4)CC3)ccc21 ZINC000012247836 555947001 /nfs/dbraw/zinc/94/70/01/555947001.db2.gz GGYFFENKVZJFMT-HHHXNRCGSA-N 1 0 480.656 5.561 50 0 JKAARO CC1CC[NH+](Cc2ccc(NC(=O)c3cnn(-c4ccc(F)cc4)c3-n3cccc3)cc2)CC1 ZINC000015681530 555950602 /nfs/dbraw/zinc/95/06/02/555950602.db2.gz YEMNAXIOBLIMJX-UHFFFAOYSA-N 1 0 457.553 5.286 50 0 JKAARO Cc1nn(-c2ccc(F)cc2)c(-n2cccc2)c1C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000015681638 555951153 /nfs/dbraw/zinc/95/11/53/555951153.db2.gz IHNRCUQCXXLXMD-UHFFFAOYSA-N 1 0 471.580 5.595 50 0 JKAARO c1[nH]c2ccccc2c1CC[NH2+]Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 ZINC000012376546 555964052 /nfs/dbraw/zinc/96/40/52/555964052.db2.gz ILYDEDAGWJFBKM-UHFFFAOYSA-N 1 0 462.593 6.658 50 0 JKAARO O=C(CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)Nc1ccc(Cl)cc1Cl ZINC000022917749 555971404 /nfs/dbraw/zinc/97/14/04/555971404.db2.gz NTVHQRUNNGROJZ-UHFFFAOYSA-N 1 0 454.401 5.339 50 0 JKAARO C[C@@](C[NH2+]C(c1ccccc1)c1ccccc1)(NS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000012383516 555971479 /nfs/dbraw/zinc/97/14/79/555971479.db2.gz ZAJOSUSKKUEFRA-NDEPHWFRSA-N 1 0 456.611 5.260 50 0 JKAARO Cc1cccc(-c2nc3cc4c(cc3cc2CN(CC[NH+](C)C)C(=O)c2ccoc2)CCC4)c1 ZINC000012453711 555981237 /nfs/dbraw/zinc/98/12/37/555981237.db2.gz ARDCJBNTZQROMR-UHFFFAOYSA-N 1 0 453.586 5.496 50 0 JKAARO Cc1ccc(C(=O)Nc2ccc(N3CCC([NH+]4CCC([C@H](O)c5ccccc5)CC4)CC3)cc2)c(C)c1 ZINC000012453582 555981280 /nfs/dbraw/zinc/98/12/80/555981280.db2.gz UXTSXQZXYVWRQT-WJOKGBTCSA-N 1 0 497.683 5.970 50 0 JKAARO Cc1ccc(NC(=O)CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c(Br)c1 ZINC000022938733 555992372 /nfs/dbraw/zinc/99/23/72/555992372.db2.gz XIJGRPBSAAYUCZ-UHFFFAOYSA-N 1 0 478.434 5.103 50 0 JKAARO CC(C)[N@@H+]1CCc2c(sc(NC(=O)Cc3ccc(F)cc3)c2-c2nc3ccccc3s2)C1 ZINC000022997128 555996671 /nfs/dbraw/zinc/99/66/71/555996671.db2.gz ZEUUJRFQLVULCM-UHFFFAOYSA-N 1 0 465.619 6.112 50 0 JKAARO COc1ccc(-c2nc3ccccc3c(NCCCN3CCC([NH+]4CCCCC4)CC3)n2)cc1 ZINC000015781614 556000843 /nfs/dbraw/zinc/00/08/43/556000843.db2.gz SZELCXRKAXCZBH-UHFFFAOYSA-N 1 0 459.638 5.058 50 0 JKAARO CC1CC[NH+](Cc2ccc(NC(=O)c3nn(C)c4c3CSc3ccc(Cl)cc3-4)cc2)CC1 ZINC000015782836 556001123 /nfs/dbraw/zinc/00/11/23/556001123.db2.gz YBBKAXNGUIGYOV-UHFFFAOYSA-N 1 0 467.038 5.830 50 0 JKAARO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)CC1 ZINC000012532833 556004019 /nfs/dbraw/zinc/00/40/19/556004019.db2.gz FMWHVZGMXABVBS-UHFFFAOYSA-N 1 0 471.992 5.197 50 0 JKAARO CC(C)[N@@H+]1CCc2c(sc(NC(=O)c3cc4ccccc4o3)c2-c2nc3ccccc3s2)C1 ZINC000023109505 556010316 /nfs/dbraw/zinc/01/03/16/556010316.db2.gz FJMFZNQNPPTLBL-UHFFFAOYSA-N 1 0 473.623 6.790 50 0 JKAARO Cc1cc(C)cc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CC[N@@H+](Cc2cccc4ncccc24)CC3)c1 ZINC000023128416 556017618 /nfs/dbraw/zinc/01/76/18/556017618.db2.gz SVAKAHIUZMOVOD-MHZLTWQESA-N 1 0 496.659 5.019 50 0 JKAARO Cc1cc(C)cc(C(=O)N[C@H](CC(C)C)c2nnc3n2CC[N@@H+](Cc2cccc4ncccc24)CC3)c1 ZINC000023128415 556017714 /nfs/dbraw/zinc/01/77/14/556017714.db2.gz SVAKAHIUZMOVOD-HHHXNRCGSA-N 1 0 496.659 5.019 50 0 JKAARO Cc1cc(N2CC[NH+](C3CCCCC3)CC2)n2nc(C(F)(F)F)c(-c3ccc(F)cc3)c2n1 ZINC000015839972 556023142 /nfs/dbraw/zinc/02/31/42/556023142.db2.gz FKXGTDNWFHTWMR-UHFFFAOYSA-N 1 0 461.507 5.317 50 0 JKAARO Cc1ccccc1NC(=S)N[C@@H](C)[C@@H](c1cccs1)[NH+]1CCN(c2ccccc2)CC1 ZINC000023182371 556028395 /nfs/dbraw/zinc/02/83/95/556028395.db2.gz KLRYYPFPEJKYTF-RDPSFJRHSA-N 1 0 450.677 5.295 50 0 JKAARO COc1cccc([C@@H](c2oc3ccccc3c2NC(=O)c2ccco2)[NH+]2CCC(C)CC2)c1OC ZINC000015859360 556029428 /nfs/dbraw/zinc/02/94/28/556029428.db2.gz HMJMROVORHCBJP-VWLOTQADSA-N 1 0 474.557 6.117 50 0 JKAARO O=C(Nc1c2ccccc2oc1[C@@H](c1ccc(Cl)cc1)[NH+]1CCCCC1)c1cccs1 ZINC000015859383 556029645 /nfs/dbraw/zinc/02/96/45/556029645.db2.gz PUMGIFQUOQHLFI-HSZRJFAPSA-N 1 0 450.991 6.975 50 0 JKAARO COc1cccc([C@H](c2oc3ccccc3c2NC(=O)c2cccs2)[NH+]2CCC(C)CC2)c1 ZINC000015859379 556029683 /nfs/dbraw/zinc/02/96/83/556029683.db2.gz AWEKUZGVQRYWDV-RUZDIDTESA-N 1 0 460.599 6.577 50 0 JKAARO COc1cccc([C@@H](c2oc3ccccc3c2NC(=O)c2cccs2)[NH+]2CCC(C)CC2)c1 ZINC000015859380 556029725 /nfs/dbraw/zinc/02/97/25/556029725.db2.gz AWEKUZGVQRYWDV-VWLOTQADSA-N 1 0 460.599 6.577 50 0 JKAARO CC1CC[NH+]([C@@H](c2oc3ccccc3c2NC(=O)c2cccs2)c2ccccc2Cl)CC1 ZINC000015859402 556029769 /nfs/dbraw/zinc/02/97/69/556029769.db2.gz OYNAYCQHXPMWAY-XMMPIXPASA-N 1 0 465.018 7.221 50 0 JKAARO COc1ccc(OC)c([C@@H](c2oc3ccccc3c2NC(=O)c2ccccc2)[NH+]2CCCCC2)c1 ZINC000015859556 556030457 /nfs/dbraw/zinc/03/04/57/556030457.db2.gz RSUSGNKIPBYAPE-MHZLTWQESA-N 1 0 470.569 6.278 50 0 JKAARO Cc1[nH]c2ccc(NC(=O)c3cccc(Cl)c3)cc2c1[C@H](c1ccccn1)[NH+]1CCCCC1 ZINC000015859773 556031108 /nfs/dbraw/zinc/03/11/08/556031108.db2.gz CDSSWOABXFWFJO-SANMLTNESA-N 1 0 458.993 6.352 50 0 JKAARO O[C@@H](COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000023224669 556032539 /nfs/dbraw/zinc/03/25/39/556032539.db2.gz BABYPAJKOFFITR-ZVXGGRIQSA-N 1 0 481.080 5.370 50 0 JKAARO CCCC(=O)Nc1nc2ccc(CCC(=O)Nc3cccc(C[NH+]4CCCC4)c3)cc2s1 ZINC000015861858 556034139 /nfs/dbraw/zinc/03/41/39/556034139.db2.gz WUWKDNYEOHMVJZ-UHFFFAOYSA-N 1 0 450.608 5.202 50 0 JKAARO O=C(c1ccc(Nc2ccnc(-c3ccc(F)cc3)n2)cc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000015864020 556038573 /nfs/dbraw/zinc/03/85/73/556038573.db2.gz JCGROGRDNKWWKS-UHFFFAOYSA-N 1 0 459.569 5.117 50 0 JKAARO CCc1c(C)sc2c1CC[N@H+](Cc1nc(-c3ccc(OC)c(OC)c3)oc1C)[C@H]2c1ccccc1 ZINC000015864870 556040903 /nfs/dbraw/zinc/04/09/03/556040903.db2.gz YBMXGJFTUABKBS-MHZLTWQESA-N 1 0 488.653 6.747 50 0 JKAARO Cc1cc(F)ccc1NC(=O)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccccc2Cl)CC1 ZINC000015865836 556042490 /nfs/dbraw/zinc/04/24/90/556042490.db2.gz DZMQTZMHHRDKRC-UHFFFAOYSA-N 1 0 490.022 6.641 50 0 JKAARO C[C@H](CCc1ccccc1)NC(=O)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000015865859 556042550 /nfs/dbraw/zinc/04/25/50/556042550.db2.gz ABNCJQRCOWKREZ-XMMPIXPASA-N 1 0 497.658 6.178 50 0 JKAARO CC[NH+](CC)CCC[C@H](C)NC(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)[nH]n2)cc1 ZINC000023334488 556044055 /nfs/dbraw/zinc/04/40/55/556044055.db2.gz NLKJGPJOCURPKM-KRWDZBQOSA-N 1 0 473.448 6.291 50 0 JKAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(-c2cc(-c3cccc(C(F)(F)F)c3)n[nH]2)cc1 ZINC000023335168 556044532 /nfs/dbraw/zinc/04/45/32/556044532.db2.gz VSIATDXMTAYWDI-GOSISDBHSA-N 1 0 470.539 5.757 50 0 JKAARO CC[NH+]1CCN([P@](=Nc2ccccc2Cl)(c2c(C)cn(-c3ccccc3)c2C)C(C)(C)C)CC1 ZINC000012559152 556049647 /nfs/dbraw/zinc/04/96/47/556049647.db2.gz QABVASJZRRORDZ-UUWRZZSWSA-N 1 0 497.067 7.257 50 0 JKAARO O=C(Nc1ccc2[nH]cc(CC[NH+]3CCCC3)c2c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000023431365 556055890 /nfs/dbraw/zinc/05/58/90/556055890.db2.gz UPYYBVSYHGTRHO-UHFFFAOYSA-N 1 0 469.429 6.096 50 0 JKAARO CCOC(=O)c1c2c(sc1NC(=O)[C@@H]([NH2+]C1CCCCCCC1)c1ccccc1)C[C@H](C)CC2 ZINC000012565750 556063255 /nfs/dbraw/zinc/06/32/55/556063255.db2.gz KVBUMQBUIHGSJX-CLOONOSVSA-N 1 0 482.690 6.432 50 0 JKAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(-c2cc(-c3cccc4ccccc43)n[nH]2)cc1 ZINC000023450909 556065285 /nfs/dbraw/zinc/06/52/85/556065285.db2.gz GWPFDZHIVKEZRZ-OAQYLSRUSA-N 1 0 452.602 5.891 50 0 JKAARO O=C(c1ccc(OCC[NH+]2CCCCC2)cc1)[C@H]1c2ccc(O)cc2S[C@@H]1c1ccc(O)cc1 ZINC000015919388 556067000 /nfs/dbraw/zinc/06/70/00/556067000.db2.gz IKZMTNSYXDOFJH-IXCJQBJRSA-N 1 0 475.610 5.776 50 0 in-vivo JKAARO CCC[N@H+](CCc1c[nH]c2ccc(NC(=O)C(c3ccccc3)c3ccccc3)cc12)CC1CC1 ZINC000023458841 556070670 /nfs/dbraw/zinc/07/06/70/556070670.db2.gz MAFTUUHLKGXENP-UHFFFAOYSA-N 1 0 465.641 6.603 50 0 JKAARO C[N@H+](CCc1ccccc1)Cc1ccc(OC[C@@H]2CCCN(C(=O)c3cccc(Cl)c3)C2)cc1 ZINC000012570798 556073202 /nfs/dbraw/zinc/07/32/02/556073202.db2.gz CIVPDXIEMOXDMJ-RUZDIDTESA-N 1 0 477.048 5.946 50 0 JKAARO COc1ccc(Cl)cc1NC(=O)c1c2c(sc1NC(=O)C[NH2+][C@H](C)c1ccccc1)CCC2 ZINC000015946675 556083196 /nfs/dbraw/zinc/08/31/96/556083196.db2.gz QDRFMTBYEMZLJM-OAHLLOKOSA-N 1 0 484.021 5.440 50 0 JKAARO COc1ccc(Cl)cc1NC(=O)c1c2c(sc1NC(=O)C[NH2+][C@@H](C)c1ccccc1)CCC2 ZINC000015946673 556083402 /nfs/dbraw/zinc/08/34/02/556083402.db2.gz QDRFMTBYEMZLJM-HNNXBMFYSA-N 1 0 484.021 5.440 50 0 JKAARO CCOc1ccc(NC(=O)c2c(NC(=O)C[NH2+]CCc3ccccc3)sc3c2CC[C@@H](C)C3)cc1 ZINC000015946846 556084051 /nfs/dbraw/zinc/08/40/51/556084051.db2.gz CYPBRBXQQAKYGG-LJQANCHMSA-N 1 0 491.657 5.295 50 0 JKAARO CCOc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](CC)C4)ccc1OC(=O)c1cccs1 ZINC000015947168 556084730 /nfs/dbraw/zinc/08/47/30/556084730.db2.gz BWHKWWNPGCSAEM-OAQYLSRUSA-N 1 0 483.615 5.234 50 0 JKAARO CCOc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](CC)C4)ccc1OCc1ccccc1 ZINC000015947291 556085120 /nfs/dbraw/zinc/08/51/20/556085120.db2.gz DKYNPNXHSUEAQS-XMMPIXPASA-N 1 0 463.603 5.533 50 0 JKAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Br)ccc2OCc2ccccc2)N3)C1 ZINC000015947293 556085176 /nfs/dbraw/zinc/08/51/76/556085176.db2.gz NHBMDTCNQJCHEH-QFIPXVFZSA-N 1 0 498.446 5.897 50 0 JKAARO CCOc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](CC)C4)ccc1OCc1ccccc1 ZINC000015947289 556085274 /nfs/dbraw/zinc/08/52/74/556085274.db2.gz DKYNPNXHSUEAQS-DEOSSOPVSA-N 1 0 463.603 5.533 50 0 JKAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)/C(=C\c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000012614682 556091379 /nfs/dbraw/zinc/09/13/79/556091379.db2.gz UKENGNMTXGKIDG-JFGKPDLASA-N 1 0 460.980 6.163 50 0 JKAARO CC[C@@H](c1nn(CN(C)Cc2ccc(C(F)(F)F)cc2)c(=S)n1Cc1ccccc1)[NH+](C)C ZINC000023845276 556091407 /nfs/dbraw/zinc/09/14/07/556091407.db2.gz IYASERTVCKZGKG-NRFANRHFSA-N 1 0 477.600 5.583 50 0 JKAARO CC(=O)C1=CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CC[NH+]5CCCCC5)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000012659068 556100140 /nfs/dbraw/zinc/10/01/40/556100140.db2.gz GFSADSWYLWESJW-VSLFSIFHSA-N 1 0 453.667 5.862 50 0 biogenic JKAARO COc1c2c(cc3c1[C@H](C[C@@H](O)c1cc(C(C)(C)C)cc4c1CCC4(C)C)[N@H+](C)CC3)OCO2 ZINC000012660125 556100766 /nfs/dbraw/zinc/10/07/66/556100766.db2.gz XVPULKCGCVRRPV-XZOQPEGZSA-N 1 0 465.634 5.598 50 0 biogenic JKAARO C[NH2+][C@H]1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(N[C@H](C)c3ccccc3)c(=O)cc21 ZINC000012660637 556100999 /nfs/dbraw/zinc/10/09/99/556100999.db2.gz UKDWAHQBWMMNNT-VGSWGCGISA-N 1 0 460.574 5.119 50 0 biogenic JKAARO O=C(Cc1c(Cl)cccc1Cl)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000012691149 556102050 /nfs/dbraw/zinc/10/20/50/556102050.db2.gz NCSBOEMRYSLRSY-UHFFFAOYSA-N 1 0 454.401 5.497 50 0 JKAARO O=C(Nc1cc(Cl)ccc1C(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1cccs1 ZINC000012781134 556111629 /nfs/dbraw/zinc/11/16/29/556111629.db2.gz ZBVIQWZAPWJUCP-UHFFFAOYSA-N 1 0 453.995 5.048 50 0 JKAARO CC[C@H]([NH2+]Cc1nc(=O)c2c([nH]1)sc(C)c2-c1ccc(C)cc1)c1ccc(Br)cc1 ZINC000012796570 556113675 /nfs/dbraw/zinc/11/36/75/556113675.db2.gz GWHHJTAIJCDNHE-IBGZPJMESA-N 1 0 482.447 6.272 50 0 JKAARO O=C(N[C@H](OC[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C(Cl)(Cl)Cl)c1ccccc1Br ZINC000016041296 556121437 /nfs/dbraw/zinc/12/14/37/556121437.db2.gz NHOWDDFUHDJVCH-RPVQJOFSSA-N 1 0 498.676 5.156 50 0 JKAARO O=C(N[C@H](OC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(Cl)(Cl)Cl)c1ccc(Cl)cc1 ZINC000016041264 556121459 /nfs/dbraw/zinc/12/14/59/556121459.db2.gz OXYYGWFHYWELQU-QILLFSRXSA-N 1 0 454.225 5.047 50 0 JKAARO O=C(N[C@H](OC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(Cl)(Cl)Cl)c1ccccc1Br ZINC000016041294 556121509 /nfs/dbraw/zinc/12/15/09/556121509.db2.gz NHOWDDFUHDJVCH-QANKJYHBSA-N 1 0 498.676 5.156 50 0 JKAARO O=C(N[C@H](OC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(Cl)(Cl)Cl)c1cccc(Cl)c1 ZINC000016041300 556121574 /nfs/dbraw/zinc/12/15/74/556121574.db2.gz DWGJOEKNMCQDLE-QILLFSRXSA-N 1 0 454.225 5.047 50 0 JKAARO COc1ccc(C[N@@H+](Cc2ccco2)C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)C4=C[C@@H]32)cc1OC ZINC000012883706 556124024 /nfs/dbraw/zinc/12/40/24/556124024.db2.gz DIZRVTJKTGQHJC-FDQHHTESSA-N 1 0 479.617 5.613 50 0 biogenic JKAARO COc1cc2c(c(OC)c1)C(=O)O[C@@H](C)CCC[C@H]([NH2+]CCc1ccccc1)CCC/C=C/2 ZINC000012888364 556124594 /nfs/dbraw/zinc/12/45/94/556124594.db2.gz KMRHQMFLUGSDOX-WPLBOJPQSA-N 1 0 451.607 5.817 50 0 JKAARO Cc1sc2nc(CSc3ccccc3)nc(NCc3ccc(N4CC[NH+](C)CC4)nc3)c2c1C ZINC000012916895 556136073 /nfs/dbraw/zinc/13/60/73/556136073.db2.gz OOQCXYNGAKWJGO-UHFFFAOYSA-N 1 0 490.702 5.359 50 0 JKAARO O=C(Nc1ccccc1O)C1CC[NH+]([C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)CC1 ZINC000024835816 556159052 /nfs/dbraw/zinc/15/90/52/556159052.db2.gz AQHYOUSFTNMSQR-SANMLTNESA-N 1 0 453.542 5.148 50 0 JKAARO CC[C@@H]([NH2+]CC(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1)c1ccc(Br)cc1 ZINC000012990571 556183854 /nfs/dbraw/zinc/18/38/54/556183854.db2.gz HNTKHPPXCGCNDF-OAQYLSRUSA-N 1 0 496.405 5.389 50 0 JKAARO CC(C)c1ccc2c(c1)CC[C@@H]1[C@](C)(C[NH2+]Cc3ccc(OCc4ccccc4)cc3)CCC[C@]21C ZINC000016949693 556183970 /nfs/dbraw/zinc/18/39/70/556183970.db2.gz YOOHGKDQFVKYOV-OUYGKKDFSA-N 1 0 481.724 8.189 50 0 JKAARO c1ccc(C[NH+]2CCN(c3nc(-c4ccc(Oc5ccccc5)cc4)nc4ccccc43)CC2)cc1 ZINC000025160240 556199149 /nfs/dbraw/zinc/19/91/49/556199149.db2.gz LILAPSSFKVGFOS-UHFFFAOYSA-N 1 0 472.592 6.411 50 0 JKAARO COc1cccc([C@H]2C[NH2+][C@H](c3ccc(C(F)(F)F)cc3)c3[nH]c4ccccc4c32)c1OC ZINC000025461676 556217067 /nfs/dbraw/zinc/21/70/67/556217067.db2.gz LYEMGMUNUMROOV-AUSIDOKSSA-N 1 0 452.476 6.028 50 0 JKAARO COc1cc([C@H]2[NH2+]C[C@@H](c3ccc(Cl)cc3Cl)c3c4ccccc4[nH]c32)cc(OC)c1OC ZINC000025461342 556217089 /nfs/dbraw/zinc/21/70/89/556217089.db2.gz STSQQIFVGFWTEQ-MHECFPHRSA-N 1 0 483.395 6.325 50 0 JKAARO COC(=O)c1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@H+](C(C)C)C3)cc1 ZINC000017113396 556218395 /nfs/dbraw/zinc/21/83/95/556218395.db2.gz NDSUTPIOOPBLTQ-UHFFFAOYSA-N 1 0 491.638 5.830 50 0 JKAARO CCC[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccc(F)cc3)=NN12 ZINC000025578484 556224339 /nfs/dbraw/zinc/22/43/39/556224339.db2.gz HCPSFARKPCRFOB-NRFANRHFSA-N 1 0 458.375 5.334 50 0 JKAARO CCC[NH+]1CCC2(CC1)Oc1c(Cl)cc(Cl)cc1[C@@H]1CC(c3ccc(OC)cc3)=NN12 ZINC000025578388 556224365 /nfs/dbraw/zinc/22/43/65/556224365.db2.gz LTFOHLYEYYOTAE-QFIPXVFZSA-N 1 0 460.405 5.748 50 0 JKAARO CC1CC[NH+]([C@@H](CNc2nc(-c3cccnc3)nc3sc4c(c32)CCC4)c2cccs2)CC1 ZINC000013030146 556224744 /nfs/dbraw/zinc/22/47/44/556224744.db2.gz PLNIWNLATIIVHY-FQEVSTJZSA-N 1 0 475.687 6.189 50 0 JKAARO Cc1ccc(N2CC[NH+](CCCOc3ccc(C(C)(C)CC(C)(C)C)cc3)CC2)cc1Cl ZINC000025691830 556229891 /nfs/dbraw/zinc/22/98/91/556229891.db2.gz CKSDKVQVVABRPI-UHFFFAOYSA-N 1 0 457.102 6.953 50 0 JKAARO C[C@@H]1CCc2c(sc3nc(-c4cccnc4)nc(N4CC[NH+](Cc5ccccc5)CC4)c23)C1 ZINC000013038855 556238135 /nfs/dbraw/zinc/23/81/35/556238135.db2.gz AUIXMVPUBUFUPM-LJQANCHMSA-N 1 0 455.631 5.200 50 0 JKAARO CC(C)[NH+](CCn1c(=O)c2ccccc2nc1S[C@H](C)c1nc(-c2cccs2)no1)C(C)C ZINC000026039956 556240171 /nfs/dbraw/zinc/24/01/71/556240171.db2.gz KRFLZEAASKIUJU-QGZVFWFLSA-N 1 0 483.663 5.480 50 0 JKAARO Cc1cc(/C=C2\Sc3ccccc3N2Cc2ccccc2)cc(C)[n+]1-c1ccc(C(C)C)cc1 ZINC000013051260 556250039 /nfs/dbraw/zinc/25/00/39/556250039.db2.gz CWFZCAIKSQAMPL-UHFFFAOYSA-N 1 0 463.670 7.814 50 0 JKAARO CC[NH+](CC)CCN(C(=O)c1ccc(C(=O)c2ccccc2)cc1)c1nc2c(cc(F)cc2F)s1 ZINC000017287565 556251160 /nfs/dbraw/zinc/25/11/60/556251160.db2.gz BFSYKGZZRBYUMA-UHFFFAOYSA-N 1 0 493.579 5.794 50 0 JKAARO CC[NH+]1CCN(c2nc3c(cnn3-c3ccccc3)c(Nc3ccc(SC(F)F)cc3)n2)CC1 ZINC000017288703 556251383 /nfs/dbraw/zinc/25/13/83/556251383.db2.gz SJCLZHRROCMWMM-UHFFFAOYSA-N 1 0 481.576 5.016 50 0 JKAARO CSc1ccc2c(c1)N(C(=O)C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1)c1ccccc1S2 ZINC000013074168 556274910 /nfs/dbraw/zinc/27/49/10/556274910.db2.gz KKCHAGPWKGJCTK-CQSZACIVSA-N 1 0 475.466 7.195 50 0 JKAARO CCOc1ccc([C@@H]([NH2+]CC(=O)Nc2c(C)nn(-c3ccccc3)c2C)C(C)C)cc1OCC ZINC000027380385 556277700 /nfs/dbraw/zinc/27/77/00/556277700.db2.gz JPYFCWLMWPFDIH-SANMLTNESA-N 1 0 464.610 5.212 50 0 JKAARO COc1cc(C[NH2+]CCNc2ccnc3cc(Cl)ccc32)ccc1OCc1ccc(Cl)nc1 ZINC000018149300 556294422 /nfs/dbraw/zinc/29/44/22/556294422.db2.gz YAOQKPXTHXUVJA-UHFFFAOYSA-N 1 0 483.399 5.726 50 0 JKAARO CCOc1ccccc1C[N@H+](CCc1ccc2c(c1)OCO2)Cc1ccccc1C(F)(F)F ZINC000018173214 556298097 /nfs/dbraw/zinc/29/80/97/556298097.db2.gz OSGOFVVAQHMQEZ-UHFFFAOYSA-N 1 0 457.492 6.078 50 0 JKAARO CC1CC[NH+]([C@@H](CNC(=O)CCc2ncc(-c3c(F)cccc3F)o2)c2cccs2)CC1 ZINC000027575189 556299479 /nfs/dbraw/zinc/29/94/79/556299479.db2.gz OBLHZBLAIZOPJD-IBGZPJMESA-N 1 0 459.562 5.203 50 0 JKAARO Cc1cc(NC(=O)c2ccco2)sc1C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000027574953 556299636 /nfs/dbraw/zinc/29/96/36/556299636.db2.gz VDTNBWITWDXXER-KRWDZBQOSA-N 1 0 457.621 5.166 50 0 JKAARO Cc1nc2c(-c3ccccc3)cnn2c(N2CC[NH+](CCOc3cccc4ccccc43)CC2)c1C ZINC000027586148 556300553 /nfs/dbraw/zinc/30/05/53/556300553.db2.gz UESONTNNZOIWPX-UHFFFAOYSA-N 1 0 477.612 5.367 50 0 JKAARO COc1ccccc1-c1cnn2c1nc(C)cc2N1CC[NH+](CCOc2cccc3ccccc32)CC1 ZINC000027586298 556300942 /nfs/dbraw/zinc/30/09/42/556300942.db2.gz WYELEGIGTXEREW-UHFFFAOYSA-N 1 0 493.611 5.068 50 0 JKAARO COc1ccccc1-c1cnn2c1nc(C)cc2N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000027586290 556300985 /nfs/dbraw/zinc/30/09/85/556300985.db2.gz WJSDIUOIGVYYHO-UHFFFAOYSA-N 1 0 489.623 5.625 50 0 JKAARO COc1ccc([C@H](CNC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)[NH+]2CCCCC2)cc1 ZINC000013110083 556311055 /nfs/dbraw/zinc/31/10/55/556311055.db2.gz IZEHDRRLTHUQDB-QHCPKHFHSA-N 1 0 498.048 5.619 50 0 JKAARO CN1c2ccccc2C(C)(C)C1=CC=CC=C1CCc2c1cc(-c1ccccc1)[o+]c2-c1ccccc1 ZINC000027988492 556311348 /nfs/dbraw/zinc/31/13/48/556311348.db2.gz ZHLMOMGFLQVPKP-YHZNWYNJSA-N 1 0 482.647 8.378 50 0 JKAARO C[NH+]1CCN(c2ccc(NC(=O)Cc3cn(-c4ccccc4)nc3-c3ccc(Cl)cc3)cc2)CC1 ZINC000028254792 556326858 /nfs/dbraw/zinc/32/68/58/556326858.db2.gz WEVHRRHXJTTZPB-UHFFFAOYSA-N 1 0 486.019 5.126 50 0 JKAARO Cc1c2ccc(Br)cc2oc1C(=O)NC[C@H](c1ccc(C(C)(C)C)cc1)[NH+](C)C ZINC000028290342 556328301 /nfs/dbraw/zinc/32/83/01/556328301.db2.gz YUYDHLUZISRMDR-HXUWFJFHSA-N 1 0 457.412 5.834 50 0 JKAARO CC[NH+](CC)[C@H](CNC(=O)c1nc(SC)ncc1Br)c1ccc(C(C)(C)C)cc1 ZINC000028290885 556328387 /nfs/dbraw/zinc/32/83/87/556328387.db2.gz AISQWNULFQMEBI-GOSISDBHSA-N 1 0 479.488 5.071 50 0 JKAARO [NH2+]=C1NC2=C(CCCC2=Cc2ccc(Br)cc2)[C@H](c2ccc(Br)cc2)S1 ZINC000028293840 556329572 /nfs/dbraw/zinc/32/95/72/556329572.db2.gz AMMITHZBEDSBIV-IURSYISVSA-N 1 0 490.264 6.836 50 0 JKAARO C[C@@H]([NH2+]C[C@H](O)Cn1c(-c2ccccc2)c(-c2ccccc2)c2ccc3ccccc3c21)c1ccccc1 ZINC000028296583 556330904 /nfs/dbraw/zinc/33/09/04/556330904.db2.gz CXYFXSXIQABKFG-RNAHPLFWSA-N 1 0 496.654 7.840 50 0 JKAARO C[C@@H]([NH2+]C[C@@H](O)Cn1c(-c2ccccc2)c(-c2ccccc2)c2ccc3ccccc3c21)c1ccccc1 ZINC000028296576 556330920 /nfs/dbraw/zinc/33/09/20/556330920.db2.gz CXYFXSXIQABKFG-FYBSXPHGSA-N 1 0 496.654 7.840 50 0 JKAARO Cc1cc2c(-c3ccccc3)c(-c3ccccc3)n(C[C@H](O)C[NH2+][C@@H](C)c3ccccc3)c2c(C)c1 ZINC000028296676 556331005 /nfs/dbraw/zinc/33/10/05/556331005.db2.gz AADVVCGTHFIIKX-ABYGYWHVSA-N 1 0 474.648 7.304 50 0 JKAARO C[NH+]1CCN(c2nc(-c3cccs3)ccc2C(=O)NC2c3ccccc3-c3ccccc32)CC1 ZINC000019144367 556331999 /nfs/dbraw/zinc/33/19/99/556331999.db2.gz QCQADFKHGQKXSZ-UHFFFAOYSA-N 1 0 466.610 5.062 50 0 JKAARO CC(=O)N1CCc2cc(C(=O)[C@H](C)[NH2+]C[C@@H](c3c[nH]c4ccccc43)c3ccccc3)ccc21 ZINC000028654322 556339084 /nfs/dbraw/zinc/33/90/84/556339084.db2.gz WRLFNFFZUCMLKI-UQBPGWFLSA-N 1 0 451.570 5.070 50 0 JKAARO CC(=O)N1CCc2cc(C(=O)[C@@H](C)[NH2+]C[C@@H](c3c[nH]c4ccccc43)c3ccccc3)ccc21 ZINC000028654316 556339115 /nfs/dbraw/zinc/33/91/15/556339115.db2.gz WRLFNFFZUCMLKI-KBMIEXCESA-N 1 0 451.570 5.070 50 0 JKAARO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[NH2+]C[C@H](c1c2ccccc2[nH]c1-c1ccccc1)c1ccccc1 ZINC000028804050 556341492 /nfs/dbraw/zinc/34/14/92/556341492.db2.gz KSTAYNRDCSOSJB-RLWLMLJZSA-N 1 0 491.639 5.934 50 0 JKAARO CCn1c2ccccc2c2cc(C[NH+]3CCN(Cc4ccccc4Br)CC3)ccc21 ZINC000019369774 556346643 /nfs/dbraw/zinc/34/66/43/556346643.db2.gz KJLBXKUHMXFSJU-UHFFFAOYSA-N 1 0 462.435 5.895 50 0 JKAARO CC(C)c1ccc2oc(=O)cc(CN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c2c1 ZINC000019371283 556346845 /nfs/dbraw/zinc/34/68/45/556346845.db2.gz QCEJXIQCERBDHD-UHFFFAOYSA-N 1 0 452.598 5.824 50 0 JKAARO CCOc1ccc(OC[C@H](O)C[NH2+]C[C@H](c2c[nH]c3ccccc32)c2ccccc2Cl)cc1 ZINC000013129711 556353651 /nfs/dbraw/zinc/35/36/51/556353651.db2.gz MBIFMYHWSUMFKT-DVECYGJZSA-N 1 0 464.993 5.381 50 0 JKAARO CCOCCC[NH2+][C@@H](C(=O)Nc1scc(-c2ccccc2)c1C(=O)OCC)c1ccccc1 ZINC000013129750 556353685 /nfs/dbraw/zinc/35/36/85/556353685.db2.gz GUASAOCNUGUWCQ-HSZRJFAPSA-N 1 0 466.603 5.288 50 0 JKAARO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@@H]([NH2+]CCCN1CCCCCC1=O)c1ccccc1 ZINC000013131578 556357767 /nfs/dbraw/zinc/35/77/67/556357767.db2.gz AETGUAUNHDTOHK-QFIPXVFZSA-N 1 0 481.946 5.421 50 0 JKAARO CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)[NH2+]C1CCCCCCC1)CN(Cc1ccccc1)CC2 ZINC000013131539 556357796 /nfs/dbraw/zinc/35/77/96/556357796.db2.gz HXXWFYNMBWXYOM-FQEVSTJZSA-N 1 0 497.705 5.513 50 0 JKAARO O=C(Nc1ccc(F)cc1)[C@H]([NH2+]C[C@@H](c1c[nH]c2ccccc21)c1ccccc1)c1ccccc1 ZINC000013131755 556358143 /nfs/dbraw/zinc/35/81/43/556358143.db2.gz UZTSBDMMRJSSJV-GGXMVOPNSA-N 1 0 463.556 6.409 50 0 JKAARO Cc1ccc2ccccc2c1C[NH+]1CCN(c2ncnc3scc(-c4ccccc4)c32)CC1 ZINC000019682045 556359855 /nfs/dbraw/zinc/35/98/55/556359855.db2.gz BVUHGPCMPLVDBY-UHFFFAOYSA-N 1 0 450.611 6.142 50 0 JKAARO O=C(CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)Nc1c2c(nc3ccccc31)CCC2 ZINC000019690834 556360268 /nfs/dbraw/zinc/36/02/68/556360268.db2.gz UFBXLLJXIXDCBP-UHFFFAOYSA-N 1 0 476.624 5.069 50 0 JKAARO CC(C)CCn1cnc2sc3c(c2c1=O)CC[C@@H]([NH2+]Cc1csc(Cc2ccccc2)n1)C3 ZINC000019742724 556365170 /nfs/dbraw/zinc/36/51/70/556365170.db2.gz HXZNQJAEIUGIIH-LJQANCHMSA-N 1 0 478.687 5.199 50 0 JKAARO O[C@@H](Cn1c2ccccc2c2ccccc21)C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019770618 556368045 /nfs/dbraw/zinc/36/80/45/556368045.db2.gz ZKYOLXTWDQZHCY-HHHXNRCGSA-N 1 0 475.636 5.563 50 0 JKAARO COc1cc2c(cc1C[N@H+](CCc1ccccc1)Cc1ccccc1)oc(C)c2-c1ccccc1 ZINC000019771254 556368382 /nfs/dbraw/zinc/36/83/82/556368382.db2.gz PPYJMEOADMBNQP-UHFFFAOYSA-N 1 0 461.605 7.662 50 0 JKAARO O[C@@H](Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21)C[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000019770907 556368415 /nfs/dbraw/zinc/36/84/15/556368415.db2.gz WDYPLTSTWNHYKB-OAQYLSRUSA-N 1 0 488.846 5.938 50 0 JKAARO c1ccc(C(c2ccccc2)N2CC[NH+](CCCn3c4ccccc4c4ccccc43)CC2)cc1 ZINC000019829441 556397377 /nfs/dbraw/zinc/39/73/77/556397377.db2.gz VRMNMGFGAGTQJW-UHFFFAOYSA-N 1 0 459.637 6.592 50 0 JKAARO CC[NH+](CC)CCC[C@H](C)Nc1cc(/C=C\c2ccccc2Cl)nc2cc(Cl)ccc21 ZINC000031490221 556397782 /nfs/dbraw/zinc/39/77/82/556397782.db2.gz CMLVHSVFSYNMGM-IFMUVIIVSA-N 1 0 456.461 7.634 50 0 JKAARO CC[NH+](CC)CC[C@@]1(c2ccccc2)c2ccccc2N(N(C)Cc2ccc(OC)cc2)C1=O ZINC000031880526 556409337 /nfs/dbraw/zinc/40/93/37/556409337.db2.gz WANFSXZRKANYSW-GDLZYMKVSA-N 1 0 457.618 5.107 50 0 JKAARO CC[NH+](CC)CC[C@]1(c2ccccc2)c2ccccc2N(N(C)Cc2cc(Cl)ccc2OC)C1=O ZINC000031982183 556412255 /nfs/dbraw/zinc/41/22/55/556412255.db2.gz FBPWURHNRZYCOS-LJAQVGFWSA-N 1 0 492.063 5.760 50 0 JKAARO Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(OCc2ccccc2)cc1)N(CCC[NH+](C)C)C3=O ZINC000032593442 556447625 /nfs/dbraw/zinc/44/76/25/556447625.db2.gz ZLKJKJYZWRMULG-HHHXNRCGSA-N 1 0 482.580 5.177 50 0 JKAARO C[N+]1=C(/C=C/c2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)C(C)(C)c2ccccc21 ZINC000032619747 556451286 /nfs/dbraw/zinc/45/12/86/556451286.db2.gz LPXWNRPYJLUHIP-JGCGQSQUSA-N 1 0 482.651 7.762 50 0 JKAARO CCCCOc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCC[NH+](C)C)cc1OC ZINC000032622850 556452714 /nfs/dbraw/zinc/45/27/14/556452714.db2.gz MPZIRYQCEPSEAC-DEOSSOPVSA-N 1 0 499.007 5.131 50 0 JKAARO CCCCOc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCC[NH+](C)C)cc1OC ZINC000032622851 556452801 /nfs/dbraw/zinc/45/28/01/556452801.db2.gz MPZIRYQCEPSEAC-XMMPIXPASA-N 1 0 499.007 5.131 50 0 JKAARO CC(C)c1ccc([C@H](CNC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)[NH+]2CCCCC2)cc1 ZINC000032623121 556452995 /nfs/dbraw/zinc/45/29/95/556452995.db2.gz BGQCLSZCPYBMRY-DEOSSOPVSA-N 1 0 475.589 5.193 50 0 JKAARO CC[NH+](CC)CCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@H]1c1ccc(C(C)C)cc1 ZINC000032623153 556453068 /nfs/dbraw/zinc/45/30/68/556453068.db2.gz HYZLFTLMDATWKA-XMMPIXPASA-N 1 0 467.009 5.847 50 0 JKAARO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1-c1ccc(Cn2cccn2)cc1 ZINC000032906376 556531122 /nfs/dbraw/zinc/53/11/22/556531122.db2.gz QQBGKSRAKJCUBN-UHFFFAOYSA-N 1 0 450.586 5.124 50 0 JKAARO CC[NH+]1CCN(Cc2ccc(NC(=O)c3ccc(SCc4csc(C)n4)cc3)cc2)CC1 ZINC000032921824 556541391 /nfs/dbraw/zinc/54/13/91/556541391.db2.gz JSCWXAUTQVOFCW-UHFFFAOYSA-N 1 0 466.676 5.134 50 0 JKAARO O=C(NCC1CC[NH+](Cc2ccccc2Cl)CC1)c1c2ccccc2nnc1-c1ccccc1 ZINC000032953253 556568478 /nfs/dbraw/zinc/56/84/78/556568478.db2.gz ZVJXPAGTTMAIPD-UHFFFAOYSA-N 1 0 471.004 5.592 50 0 JKAARO CC[C@@H](NC(=O)Nc1cc(Cl)ccc1OC)c1c2c(sc1-n1cccc1)C[N@@H+](C)CC2 ZINC000008590209 562942589 /nfs/dbraw/zinc/94/25/89/562942589.db2.gz BSTLHZQINILQCA-QGZVFWFLSA-N 1 0 459.015 5.462 50 0 JKAARO CO[C@H]1[C@H](NC(=O)c2ccsc2)c2ccccc2C12CC[NH+](Cc1cccc3ncccc13)CC2 ZINC000012027516 562958653 /nfs/dbraw/zinc/95/86/53/562958653.db2.gz NPLRHJIGWUXFKB-SXOMAYOGSA-N 1 0 483.637 5.330 50 0 JKAARO COc1cccc(-c2cnc(-c3ccncc3)nc2C2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)c1 ZINC000012218712 562959379 /nfs/dbraw/zinc/95/93/79/562959379.db2.gz GQLBCZVIMGNMKL-UHFFFAOYSA-N 1 0 493.611 5.552 50 0 JKAARO COc1ccccc1[C@H](C)[NH2+]CC(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000053201224 563205218 /nfs/dbraw/zinc/20/52/18/563205218.db2.gz IHJBXDKSMAFCKB-INIZCTEOSA-N 1 0 471.479 5.256 50 0 JKAARO CC(C)(C)c1cc(N2CC[NH+](Cc3ccccc3)CC2)n2ncc(-c3ccc(Cl)cc3)c2n1 ZINC000054284497 569589673 /nfs/dbraw/zinc/58/96/73/569589673.db2.gz FYELGPIQBPJRMA-UHFFFAOYSA-N 1 0 460.025 5.669 50 0 JKAARO c1sc2ncnc(N3CC[NH+](Cc4ccccc4)CC3)c2c1-c1ccc(-c2ccccc2)cc1 ZINC000054596615 569590241 /nfs/dbraw/zinc/59/02/41/569590241.db2.gz PIXMRJMMBWHQHV-UHFFFAOYSA-N 1 0 462.622 6.348 50 0 JKAARO COC(=O)c1sc2nc(C[N@H+](C)Cc3ccccc3)ccc2c1NC(=O)c1cc(C)ccc1C ZINC000055131817 569590860 /nfs/dbraw/zinc/59/08/60/569590860.db2.gz MDYGORPHCGUHPR-UHFFFAOYSA-N 1 0 473.598 5.584 50 0 JKAARO COC(=O)c1sc2nc(C[N@H+](C)[C@H](C)c3cccs3)ccc2c1NC(=O)c1ccccc1 ZINC000055283478 569591407 /nfs/dbraw/zinc/59/14/07/569591407.db2.gz KHXITVDDOYJKHA-OAHLLOKOSA-N 1 0 465.600 5.590 50 0 JKAARO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1ccc(OCc2ccccc2)cc1 ZINC000055535577 569592202 /nfs/dbraw/zinc/59/22/02/569592202.db2.gz GQJGREQRVWSPOZ-UHFFFAOYSA-N 1 0 477.608 5.840 50 0 JKAARO COc1c(Cl)cc(C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)cc1Cl ZINC000055529449 569592212 /nfs/dbraw/zinc/59/22/12/569592212.db2.gz KYGWSPXQCBJDRM-UHFFFAOYSA-N 1 0 470.400 5.577 50 0 JKAARO Cc1ccsc1C[N@@H+]1C[C@H](Sc2ccc(F)cc2)C[C@H]1C(=O)NCCc1cccc(F)c1 ZINC000055569044 569592297 /nfs/dbraw/zinc/59/22/97/569592297.db2.gz NQGFBCCQLGEGJF-PKTZIBPZSA-N 1 0 472.626 5.429 50 0 JKAARO Cc1ccc(C2=C(Cl)/C(=C\C[NH+]3CCCCC3)[C@@H](c3ccc(F)cc3)c3ccccc3O2)cc1 ZINC000057063756 569594299 /nfs/dbraw/zinc/59/42/99/569594299.db2.gz XQSOUHWKXMZLIJ-ASZNLBCTSA-N 1 0 474.019 7.678 50 0 JKAARO CCOC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(NC(=O)c2ccc(Cl)cc2)c1 ZINC000057222894 569594818 /nfs/dbraw/zinc/59/48/18/569594818.db2.gz LVLVXZKAXVYSLH-UHFFFAOYSA-N 1 0 477.992 5.091 50 0 JKAARO O=C(COc1ccc(C2CCCCC2)cc1)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000057254354 569595011 /nfs/dbraw/zinc/59/50/11/569595011.db2.gz GWHUNAWDPKXTPT-UHFFFAOYSA-N 1 0 483.656 6.074 50 0 JKAARO O=C(Nc1ccc(C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)cc1)c1ccco1 ZINC000057270838 569595268 /nfs/dbraw/zinc/59/52/68/569595268.db2.gz JRCWAGXNTSBVOL-UHFFFAOYSA-N 1 0 480.568 5.106 50 0 JKAARO Cc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2OC32CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000008717706 569596745 /nfs/dbraw/zinc/59/67/45/569596745.db2.gz MNJQYBSYPLIVRF-AREMUKBSSA-N 1 0 458.005 6.184 50 0 JKAARO Cc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2OC32CC[NH+](Cc3ccccc3)CC2)o1 ZINC000008717738 569596748 /nfs/dbraw/zinc/59/67/48/569596748.db2.gz GNPOGMPHMPDNIV-HSZRJFAPSA-N 1 0 492.417 5.886 50 0 JKAARO Fc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2OC32CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000008717715 569596754 /nfs/dbraw/zinc/59/67/54/569596754.db2.gz CUIXXLBGUWFDQX-VWLOTQADSA-N 1 0 461.968 6.015 50 0 JKAARO COc1cccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2OC32CC[NH+](Cc3ccccc3)CC2)c1 ZINC000008717710 569596766 /nfs/dbraw/zinc/59/67/66/569596766.db2.gz SMEVGMDZXGMQDU-AREMUKBSSA-N 1 0 474.004 5.884 50 0 JKAARO COc1cccc2c1OC1(CC[NH+](Cc3ccccc3)CC1)N1N=C(c3ccc(Cl)cc3)C[C@@H]21 ZINC000008717748 569596833 /nfs/dbraw/zinc/59/68/33/569596833.db2.gz TZCXXBJZMMGAAJ-VWLOTQADSA-N 1 0 474.004 5.884 50 0 JKAARO COc1cccc(C2=NN3[C@@H](C2)c2cccc(OC)c2OC32CC[NH+](Cc3ccccc3)CC2)c1 ZINC000008717743 569596837 /nfs/dbraw/zinc/59/68/37/569596837.db2.gz KGUQZSAYQSESMF-SANMLTNESA-N 1 0 469.585 5.240 50 0 JKAARO NC1=[NH+]C[C@@H](CS[C@]23CCCC[C@@H]2[C@@H](c2ccccc2)C=C(c2ccccc2)S3)S1 ZINC000008732637 569601475 /nfs/dbraw/zinc/60/14/75/569601475.db2.gz JWDPJXKKWLZBTK-OUMCCJGNSA-N 1 0 452.714 6.608 50 0 JKAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1Cl)O2 ZINC000032983889 569607203 /nfs/dbraw/zinc/60/72/03/569607203.db2.gz MGBBEJYCTGSTAN-HLILLCKBSA-N 1 0 467.997 5.096 50 0 JKAARO CCOc1cc(-c2cccc(Cl)c2)nc2ccc(C(=O)NCC[NH+]3CCC(C)CC3)cc21 ZINC000032986581 569608872 /nfs/dbraw/zinc/60/88/72/569608872.db2.gz GAKWWKQVKZCRHF-UHFFFAOYSA-N 1 0 451.998 5.416 50 0 JKAARO Cc1cccc(-c2ccc(Nc3cccc(C(=O)NCCC[N@@H+](C)Cc4ccccc4)c3)nn2)c1 ZINC000032996940 569610843 /nfs/dbraw/zinc/61/08/43/569610843.db2.gz ANSKGKWUBKAJTL-UHFFFAOYSA-N 1 0 465.601 5.448 50 0 JKAARO Cc1ccc(Sc2ccc(=O)n(-c3ccc(C(=O)NCCC[N@@H+](C)C4CCCCC4)cc3)n2)cc1 ZINC000032999069 569613398 /nfs/dbraw/zinc/61/33/98/569613398.db2.gz OSTVTPYKNZIGMV-UHFFFAOYSA-N 1 0 490.673 5.077 50 0 JKAARO Cc1noc(C)c1COc1ccc(C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)cc1 ZINC000062731517 569614610 /nfs/dbraw/zinc/61/46/10/569614610.db2.gz UWVHVPMPBGDYEI-UHFFFAOYSA-N 1 0 496.611 5.445 50 0 JKAARO Cc1cc(CSc2ncccc2C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)no1 ZINC000062734723 569614619 /nfs/dbraw/zinc/61/46/19/569614619.db2.gz NFCCXRKFEVATAH-UHFFFAOYSA-N 1 0 499.640 5.245 50 0 JKAARO Cc1c(C[NH2+]CCC[N@H+](Cc2ccccc2)C(C)C)c(C(=O)[O-])c(C)n1Cc1cccc(Cl)c1 ZINC000063666794 569615872 /nfs/dbraw/zinc/61/58/72/569615872.db2.gz PUXMOZDMXYMRQY-UHFFFAOYSA-N 1 0 482.068 5.895 50 0 JKAARO CC[N@H+](CCNC(=O)c1cccc(Nc2cc(-c3cccc(C)c3)ncn2)c1)Cc1ccccc1 ZINC000033010477 569616870 /nfs/dbraw/zinc/61/68/70/569616870.db2.gz SISPZKLNTNEWBW-UHFFFAOYSA-N 1 0 465.601 5.448 50 0 JKAARO Cc1nn(-c2ccccc2)c2sc(C(=O)NCC3CC[NH+](Cc4cccc(Cl)c4)CC3)cc12 ZINC000064567885 569619909 /nfs/dbraw/zinc/61/99/09/569619909.db2.gz VLVPMGXXOMUAIQ-UHFFFAOYSA-N 1 0 479.049 5.691 50 0 JKAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cccc(Nc2ncc(-c3cccc(F)c3)cn2)c1 ZINC000064606039 569622767 /nfs/dbraw/zinc/62/27/67/569622767.db2.gz UQLWPICMZQKMSU-UHFFFAOYSA-N 1 0 481.575 5.421 50 0 JKAARO Cc1ccc(-c2cnc(Nc3cccc(C(=O)NC4CC[NH+](Cc5ccccc5)CC4)c3)nc2)cc1 ZINC000064605966 569622840 /nfs/dbraw/zinc/62/28/40/569622840.db2.gz LSNKKVSYUNNQPG-UHFFFAOYSA-N 1 0 477.612 5.590 50 0 JKAARO Cc1cccc(-c2cnc(Nc3cccc(C(=O)NC4CC[NH+](Cc5ccccc5)CC4)c3)nc2)c1 ZINC000064605776 569622852 /nfs/dbraw/zinc/62/28/52/569622852.db2.gz NGTPLZGNDKISIX-UHFFFAOYSA-N 1 0 477.612 5.590 50 0 JKAARO Cc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(NC4CCCCC4)nc(C)[nH+]3)cc2)cc1 ZINC000033326888 569624107 /nfs/dbraw/zinc/62/41/07/569624107.db2.gz PMPWAOVDSAFHDD-UHFFFAOYSA-N 1 0 451.596 5.382 50 0 JKAARO Fc1ccc(-c2nc3sc(N4CC[NH+](C5CCCCC5)CC4)nn3c2NC2CCCC2)cc1 ZINC000064746095 569625160 /nfs/dbraw/zinc/62/51/60/569625160.db2.gz NCINYRMVMYDPMD-UHFFFAOYSA-N 1 0 468.646 5.406 50 0 JKAARO Cc1ccc(-c2nc3sc(N4CC[NH+](C5CCCCC5)CC4)nn3c2NC2CCCCC2)cc1 ZINC000064746108 569625260 /nfs/dbraw/zinc/62/52/60/569625260.db2.gz MDTQTTXGAUTKFZ-UHFFFAOYSA-N 1 0 478.710 5.966 50 0 JKAARO Cc1ccccc1C[NH+]1CCN(c2nn3c(nc(-c4cccc(F)c4)c3NC(C)(C)C)s2)CC1 ZINC000064746776 569625669 /nfs/dbraw/zinc/62/56/69/569625669.db2.gz JEXNZODRJZNUAA-UHFFFAOYSA-N 1 0 478.641 5.438 50 0 JKAARO Cc1ccccc1C[NH+]1CCN(c2nn3c(nc(-c4ccc(F)cc4)c3NC(C)(C)C)s2)CC1 ZINC000064746764 569625709 /nfs/dbraw/zinc/62/57/09/569625709.db2.gz RWFGCJJVIQZSKR-UHFFFAOYSA-N 1 0 478.641 5.438 50 0 JKAARO CC[NH+](CC)CCC[C@@H](C)Nc1nc(/C=C\c2ccc(Cl)cc2Cl)nc2ccccc21 ZINC000033707577 569631331 /nfs/dbraw/zinc/63/13/31/569631331.db2.gz AEZGQJCNTNWZDV-XXTMNZORSA-N 1 0 457.449 7.029 50 0 JKAARO O=C(Cn1c(-c2cccs2)cc2ccccc21)NCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000064816493 569633627 /nfs/dbraw/zinc/63/36/27/569633627.db2.gz VYHWKRDLYBYXKL-UHFFFAOYSA-N 1 0 457.643 5.441 50 0 JKAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)COc1ccc(-c2nc3ccccc3s2)cc1 ZINC000033774127 569634261 /nfs/dbraw/zinc/63/42/61/569634261.db2.gz IKEPIUNMNPFVMF-RDGATRHJSA-N 1 0 469.610 5.485 50 0 JKAARO O[C@@H]1C[C@H](c2ccc(Br)cc2)[NH2+][C@H](c2ccc(Br)cc2)[C@H]1c1ccccc1 ZINC000033901436 569637226 /nfs/dbraw/zinc/63/72/26/569637226.db2.gz FXLMKLWTDDMCBW-BXXSPATCSA-N 1 0 487.235 6.132 50 0 JKAARO COc1ccccc1OCC[N@@H+](Cc1ccccc1)C[C@H](O)COc1cccc2[nH]c3ccccc3c21 ZINC000034250789 569639843 /nfs/dbraw/zinc/63/98/43/569639843.db2.gz FFZGDNBZNMTOCK-DEOSSOPVSA-N 1 0 496.607 5.651 50 0 in-vitro JKAARO O=C(NCc1cccc(C(F)(F)F)c1)[C@@H]1CC[C@@H](c2ccccc2)[N@H+](Cc2ccc(F)cc2)C1 ZINC000034669608 569640683 /nfs/dbraw/zinc/64/06/83/569640683.db2.gz YNHMAMILAZCHDB-RDGATRHJSA-N 1 0 470.510 6.114 50 0 JKAARO CC[C@@H](Oc1ccc2c(c1)[C@H](c1ccccc1)[N@@H+](Cc1ccccc1)CC2)C(=O)NCc1ccncc1 ZINC000034671579 569640739 /nfs/dbraw/zinc/64/07/39/569640739.db2.gz POXGBABHUZQVAD-JSOSNVBQSA-N 1 0 491.635 5.703 50 0 JKAARO O=C(NCc1cccc(C(F)(F)F)c1)[C@H]1CC[C@@H](c2ccccc2)[N@H+](Cc2ccc(F)cc2F)C1 ZINC000034669760 569640797 /nfs/dbraw/zinc/64/07/97/569640797.db2.gz DUUKCQMWHIVBKA-OFVILXPXSA-N 1 0 488.500 6.253 50 0 JKAARO CC[C@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@@H+](Cc1ccccc1)CC2)C(=O)NCc1ccncc1 ZINC000034671584 569640818 /nfs/dbraw/zinc/64/08/18/569640818.db2.gz POXGBABHUZQVAD-IOWSJCHKSA-N 1 0 491.635 5.703 50 0 JKAARO COc1ccc(CCNC(=O)[C@H]2CC[C@H](c3ccccc3)[N@H+](Cc3cccc(OC)c3)C2)cc1 ZINC000034669890 569640836 /nfs/dbraw/zinc/64/08/36/569640836.db2.gz QLGTWQMVYIQEOU-LBNVMWSVSA-N 1 0 458.602 5.016 50 0 JKAARO Cc1cccc(C[N@H+]2CCc3ccc(O[C@@H](C)C(=O)NCc4ccccc4)cc3[C@H]2c2ccccc2)c1 ZINC000034671801 569640908 /nfs/dbraw/zinc/64/09/08/569640908.db2.gz DREKGJYPYNMQQH-ZOYWYXQUSA-N 1 0 490.647 6.226 50 0 JKAARO Cc1cccc(C[N@H+]2CCc3ccc(O[C@@H](C)C(=O)NCC(C)C)cc3[C@@H]2c2ccccc2)c1 ZINC000034671792 569640928 /nfs/dbraw/zinc/64/09/28/569640928.db2.gz PETXHXVPZODTIH-IADCTJSHSA-N 1 0 456.630 5.682 50 0 JKAARO Cc1cccc(C[N@H+]2CCc3ccc(O[C@@H](C)C(=O)NCC(C)C)cc3[C@H]2c2ccccc2)c1 ZINC000034671795 569640949 /nfs/dbraw/zinc/64/09/49/569640949.db2.gz PETXHXVPZODTIH-MUAVYFROSA-N 1 0 456.630 5.682 50 0 JKAARO Cc1ccc(C(=O)N(Cc2cccc(C)c2)c2ccc(CC(=O)NCC[NH+]3CCCCC3)cc2)cc1 ZINC000034680102 569643014 /nfs/dbraw/zinc/64/30/14/569643014.db2.gz SZLYMHXQPDRJOF-UHFFFAOYSA-N 1 0 483.656 5.295 50 0 JKAARO CC(C)c1ccc(C[NH+]2CCN(c3ccc(NC(=O)c4cccc(C(F)(F)F)c4)cn3)CC2)cc1 ZINC000034681560 569643297 /nfs/dbraw/zinc/64/32/97/569643297.db2.gz YKSNSMWKHXGJAC-UHFFFAOYSA-N 1 0 482.550 5.798 50 0 JKAARO CC(C)(C)c1ccc(C(=O)Nc2ccc(N3CCC[N@H+](Cc4ccc(F)cc4)CC3)nc2)cc1 ZINC000034681634 569643302 /nfs/dbraw/zinc/64/33/02/569643302.db2.gz HTMWFRNQYMNVBF-UHFFFAOYSA-N 1 0 460.597 5.483 50 0 JKAARO O=C(Nc1ccc(N2CCC[N@@H+](Cc3cccc(F)c3)CC2)nc1)c1cccc(C(F)(F)F)c1 ZINC000034681775 569643436 /nfs/dbraw/zinc/64/34/36/569643436.db2.gz KDCZBBWDVBGREY-UHFFFAOYSA-N 1 0 472.486 5.204 50 0 JKAARO O=C(Nc1ccc(N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)nc1)c1ccc(F)cc1F ZINC000034681899 569643439 /nfs/dbraw/zinc/64/34/39/569643439.db2.gz DODSZEVSYKRMKV-UHFFFAOYSA-N 1 0 490.476 5.343 50 0 JKAARO O=C(Nc1ccc(N2CCC[N@H+](Cc3ccccc3Cl)CC2)nc1)c1ccccc1C(F)(F)F ZINC000034681942 569643769 /nfs/dbraw/zinc/64/37/69/569643769.db2.gz WPJZKNYUQOMSDU-UHFFFAOYSA-N 1 0 488.941 5.718 50 0 JKAARO COc1cccc(N(C(=O)c2cccc(Cl)c2)C2CC[NH+](Cc3ccccc3Cl)CC2)c1 ZINC000034682698 569643914 /nfs/dbraw/zinc/64/39/14/569643914.db2.gz LAMWSXZRYGSEPK-UHFFFAOYSA-N 1 0 469.412 6.313 50 0 JKAARO O=C(c1cccc(Cl)c1)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000034682662 569643935 /nfs/dbraw/zinc/64/39/35/569643935.db2.gz OJIKFADVNOCHFU-UHFFFAOYSA-N 1 0 490.928 6.809 50 0 JKAARO COc1ccc(OC)c(C[NH+]2CCC(N(C(=O)c3ccccc3F)c3ccc(F)cc3)CC2)c1 ZINC000034682650 569643939 /nfs/dbraw/zinc/64/39/39/569643939.db2.gz HLLINFYWOHKMAF-UHFFFAOYSA-N 1 0 466.528 5.293 50 0 JKAARO COc1ccc(OC)c(C[NH+]2CCC(N(C(=O)c3cccc(Cl)c3)c3ccc(F)cc3)CC2)c1 ZINC000034682668 569644012 /nfs/dbraw/zinc/64/40/12/569644012.db2.gz VCKOIXLZIFQDGC-UHFFFAOYSA-N 1 0 482.983 5.808 50 0 JKAARO COc1ccc(N(C(=O)CC(C)C)C2CC[NH+](Cc3cccc(Oc4ccccc4)c3)CC2)cc1 ZINC000034682786 569644076 /nfs/dbraw/zinc/64/40/76/569644076.db2.gz PCLXUAGAKMIGSJ-UHFFFAOYSA-N 1 0 472.629 6.531 50 0 JKAARO COc1ccc(N(C(=O)c2ccccc2OC)C2CC[NH+](Cc3ccsc3)CC2)cc1OC ZINC000034682883 569644178 /nfs/dbraw/zinc/64/41/78/569644178.db2.gz DLYPSLCYQPPQPV-UHFFFAOYSA-N 1 0 466.603 5.085 50 0 JKAARO COc1ccc(C[NH+]2CCC(N(C(=O)c3ccccc3F)c3ccc(C)cc3)CC2)c(OC)c1 ZINC000034682959 569644184 /nfs/dbraw/zinc/64/41/84/569644184.db2.gz AFQLQLNOEKOUNV-UHFFFAOYSA-N 1 0 462.565 5.463 50 0 JKAARO Cc1ccc(S(=O)(=O)N(c2ccc(F)cc2)C2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)cc1 ZINC000034683699 569644453 /nfs/dbraw/zinc/64/44/53/569644453.db2.gz RIDORZOGMBATLN-UHFFFAOYSA-N 1 0 480.649 6.117 50 0 JKAARO Cc1ccc(C[NH+]2CCC(N(c3ccc(F)cc3)S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1C ZINC000034683904 569644775 /nfs/dbraw/zinc/64/47/75/569644775.db2.gz FNNQYXOZRMTVRP-UHFFFAOYSA-N 1 0 487.040 5.956 50 0 JKAARO Cc1cccc(N2CC[NH+](Cc3ccc(C(=O)NCc4cccc(C(F)(F)F)c4)cc3)CC2)c1C ZINC000034684865 569644918 /nfs/dbraw/zinc/64/49/18/569644918.db2.gz IRDVZKMJHSFCFW-UHFFFAOYSA-N 1 0 481.562 5.574 50 0 JKAARO O=C(NCc1cccc(C(F)(F)F)c1)c1ccc(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000034684562 569644976 /nfs/dbraw/zinc/64/49/76/569644976.db2.gz CJSLIIWKECWFTC-UHFFFAOYSA-N 1 0 487.953 5.611 50 0 JKAARO O=C(NC1CC1)c1ccc(COc2ccc3c(c2)[C@H](c2ccccc2)[N@@H+](Cc2ccccc2)CC3)o1 ZINC000034685559 569645103 /nfs/dbraw/zinc/64/51/03/569645103.db2.gz CKUHFPZJFFFZIC-PMERELPUSA-N 1 0 478.592 5.899 50 0 JKAARO CC[C@H](Oc1ccc2c(c1)[C@H](c1ccccc1)[N@@H+](Cc1cccc(C)c1)CC2)C(=O)NCC1CC1 ZINC000034686583 569645296 /nfs/dbraw/zinc/64/52/96/569645296.db2.gz JPKDZDYEVYZUDQ-KYJUHHDHSA-N 1 0 468.641 5.826 50 0 JKAARO O=C(c1ccccc1)N1C[C@@H](c2cccc(C(F)(F)F)c2)[C@H](C[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000034698068 569647613 /nfs/dbraw/zinc/64/76/13/569647613.db2.gz ANTDKDJIYJLVKZ-SQHAQQRYSA-N 1 0 493.573 5.383 50 0 JKAARO O=C(c1cccs1)N1C[C@H](C[NH+]2CCC(Cc3ccccc3)CC2)[C@H](c2cccc(F)c2)C1 ZINC000034698262 569647664 /nfs/dbraw/zinc/64/76/64/569647664.db2.gz FMYVTWIKZXPOTP-AHWVRZQESA-N 1 0 462.634 5.698 50 0 JKAARO O=C(NCC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccc2nc(Cc3ccccc3)oc2c1 ZINC000064967984 569647722 /nfs/dbraw/zinc/64/77/22/569647722.db2.gz UWAQQOAWVLUCBL-UHFFFAOYSA-N 1 0 474.004 5.714 50 0 JKAARO Cc1ccc(C[NH+]2CCC(CNC(=O)c3ccc4nc(CCc5ccccc5)oc4c3)CC2)cc1 ZINC000064968151 569647743 /nfs/dbraw/zinc/64/77/43/569647743.db2.gz DPEHPSOWXLOACI-UHFFFAOYSA-N 1 0 467.613 5.563 50 0 JKAARO Cc1ccccc1[C@H]1C[N@H+](Cc2cccnc2)C[C@@H]1CN(C(=O)c1ccccc1)C1CCCCC1 ZINC000034698879 569647954 /nfs/dbraw/zinc/64/79/54/569647954.db2.gz NGKIODOQWSAFSG-OFSOJUDTSA-N 1 0 467.657 6.081 50 0 JKAARO Cc1ccccc1[C@@H]1C[N@H+](Cc2cccc(F)c2)C[C@@H]1CN(C(=O)c1ccccc1)C1CCCCC1 ZINC000034698876 569647989 /nfs/dbraw/zinc/64/79/89/569647989.db2.gz WTEHJWYQSSVQEZ-DLFZDVPBSA-N 1 0 484.659 6.825 50 0 JKAARO Cc1ccccc1[C@@H]1C[N@H+](CC(C)C)C[C@@H]1CN(C(=O)c1ccc(F)cc1)C1CCCCC1 ZINC000034698818 569648004 /nfs/dbraw/zinc/64/80/04/569648004.db2.gz ATZRTULJNSMZSL-UFHPHHKVSA-N 1 0 450.642 6.281 50 0 JKAARO Cc1cc(C[N@@H+]2C[C@@H](c3ccc(F)cc3)[C@@H](CN(CC(C)C)C(=O)c3ccccc3)C2)oc1C ZINC000034699044 569648164 /nfs/dbraw/zinc/64/81/64/569648164.db2.gz FJOVDSHYEBCOSH-NAKRPHOHSA-N 1 0 462.609 6.050 50 0 JKAARO CC(C)CN(C[C@H]1C[N@H+](Cc2cccs2)C[C@@H]1c1ccc(F)cc1)C(=O)c1ccccc1 ZINC000034699033 569648167 /nfs/dbraw/zinc/64/81/67/569648167.db2.gz FHTATPWBYQUTBD-ZEQKJWHPSA-N 1 0 450.623 5.901 50 0 JKAARO CC(C)CN(C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2)C[C@@H]1c1ccccc1)C(=O)c1ccccc1F ZINC000034698966 569648208 /nfs/dbraw/zinc/64/82/08/569648208.db2.gz WUTABGFAVRNUOA-RPLLCQBOSA-N 1 0 479.039 6.493 50 0 JKAARO Cc1ccsc1C[N@H+]1C[C@H](CN(CC(C)C)C(=O)c2ccc(C)cc2)[C@@H](c2ccccc2)C1 ZINC000034698953 569648222 /nfs/dbraw/zinc/64/82/22/569648222.db2.gz YAWPBOODTDOMLO-KAYWLYCHSA-N 1 0 460.687 6.379 50 0 JKAARO CC(C)CN(C[C@H]1C[N@H+](Cc2ccc(Cl)cc2)C[C@@H]1c1ccccc1)C(=O)c1ccccc1F ZINC000034698967 569648272 /nfs/dbraw/zinc/64/82/72/569648272.db2.gz WUTABGFAVRNUOA-SHQCIBLASA-N 1 0 479.039 6.493 50 0 JKAARO CC(C)CN(C[C@@H]1C[N@H+](Cc2ccc(F)c(F)c2)C[C@@H]1c1ccc(F)cc1)C(=O)c1ccccc1 ZINC000034699042 569648323 /nfs/dbraw/zinc/64/83/23/569648323.db2.gz FJAFEBNWSSCYAB-AZGAKELHSA-N 1 0 480.574 6.118 50 0 JKAARO Cc1cc(C[N@H+]2C[C@@H](CN(CC(C)C)C(=O)c3ccccc3)[C@H](c3ccc(F)cc3)C2)oc1C ZINC000034699045 569648349 /nfs/dbraw/zinc/64/83/49/569648349.db2.gz FJOVDSHYEBCOSH-LSYYVWMOSA-N 1 0 462.609 6.050 50 0 JKAARO Cn1cccc1C[N@@H+]1C[C@@H](CN(C(=O)c2ccccc2)C2CCCCC2)[C@H](c2ccccc2)C1 ZINC000034699015 569648354 /nfs/dbraw/zinc/64/83/54/569648354.db2.gz UURHBBYSXCPWNR-WNJJXGMVSA-N 1 0 455.646 5.716 50 0 JKAARO COc1ccc(C[N@@H+]2C[C@H](CN(Cc3ccc(F)cc3)C(C)=O)[C@@H](c3ccc(OC)cc3)C2)cc1 ZINC000034699331 569648414 /nfs/dbraw/zinc/64/84/14/569648414.db2.gz KLKMGKMLPXUKOM-VAVYLYDRSA-N 1 0 476.592 5.107 50 0 JKAARO COc1ccc(CCNC(=O)[C@H]2C[C@@H](c3cccc(C)c3)C[N@H+](Cc3cccc(F)c3)C2)cc1 ZINC000034711502 569650794 /nfs/dbraw/zinc/65/07/94/569650794.db2.gz SLUQSLYJFCDIDV-FTJBHMTQSA-N 1 0 460.593 5.107 50 0 JKAARO COc1ccc(CCNC(=O)[C@@H]2C[C@H](c3cccc(C)c3)C[N@H+](Cc3ccccc3F)C2)cc1 ZINC000034711429 569650888 /nfs/dbraw/zinc/65/08/88/569650888.db2.gz LCEMTHGHRHBMCJ-IZZNHLLZSA-N 1 0 460.593 5.107 50 0 JKAARO CCC(=O)N1CCc2cc(-c3ccc(C(=O)NCC[N@H+](Cc4cccs4)[C@H](C)CC)cc3)ccc21 ZINC000065026896 569651649 /nfs/dbraw/zinc/65/16/49/569651649.db2.gz KTWPAUGOYYMMHZ-OAQYLSRUSA-N 1 0 489.685 5.745 50 0 JKAARO CCC(=O)N1CCc2cc(-c3ccc(C(=O)NC4CC[NH+](Cc5ccccc5)CC4)cc3)ccc21 ZINC000065026861 569651663 /nfs/dbraw/zinc/65/16/63/569651663.db2.gz RQPMCMQMKRIKDR-UHFFFAOYSA-N 1 0 467.613 5.047 50 0 JKAARO Cc1cc([C@@H]2C[C@H](C(=O)NCc3ccccc3)C[N@H+](Cc3ccccc3Cl)C2)ccc1F ZINC000034716670 569651671 /nfs/dbraw/zinc/65/16/71/569651671.db2.gz HQXPOONHPNENIO-RPWUZVMVSA-N 1 0 450.985 5.710 50 0 JKAARO C[C@H](NC(=O)[C@H]1C[C@H](c2ccc(F)cc2)C[N@H+](Cc2ccccc2Cl)C1)c1ccccc1 ZINC000034716596 569651718 /nfs/dbraw/zinc/65/17/18/569651718.db2.gz OEISLAFLCLOQEP-IGKWTDBASA-N 1 0 450.985 5.962 50 0 JKAARO COc1ccc(CCNC(=O)[C@H]2C[C@@H](c3ccc(F)c(C)c3)C[N@H+](Cc3cccc(OC)c3)C2)cc1 ZINC000034716828 569651868 /nfs/dbraw/zinc/65/18/68/569651868.db2.gz OGJQGQDANNVDTH-FTJBHMTQSA-N 1 0 490.619 5.116 50 0 JKAARO Cc1cccc(CNC(=O)[C@@H]2C[C@@H](c3ccc(F)cc3)C[N@H+](Cc3ccc(F)cc3F)C2)c1 ZINC000034716762 569651870 /nfs/dbraw/zinc/65/18/70/569651870.db2.gz DOGFDCOVMRUCNZ-DHIUTWEWSA-N 1 0 452.520 5.334 50 0 JKAARO Cc1cc([C@@H]2C[C@H](C(=O)NCc3cccc(F)c3)C[N@H+](Cc3ccc(F)cc3)C2)ccc1F ZINC000034716772 569651928 /nfs/dbraw/zinc/65/19/28/569651928.db2.gz DNHKYNWYGXIMTR-PKTZIBPZSA-N 1 0 452.520 5.334 50 0 JKAARO Cc1cc([C@@H]2C[C@H](C(=O)NCc3ccccc3F)C[N@H+](Cc3ccccc3Cl)C2)ccc1F ZINC000034716808 569651986 /nfs/dbraw/zinc/65/19/86/569651986.db2.gz SGSWXLJKSFSKOZ-PKTZIBPZSA-N 1 0 468.975 5.849 50 0 JKAARO Cc1ccc(C(=O)N2CCC[C@@H]3CCCC[C@H]32)c(C2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)n1 ZINC000034726147 569652780 /nfs/dbraw/zinc/65/27/80/569652780.db2.gz ZPEPETZSKKWWOK-LITSAYRRSA-N 1 0 473.705 6.688 50 0 JKAARO Cc1cccc(CNC(=O)c2ccc(C)nc2C2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)c1 ZINC000034725831 569652795 /nfs/dbraw/zinc/65/27/95/569652795.db2.gz MTJJOGPATIIZIV-UHFFFAOYSA-N 1 0 455.646 6.131 50 0 JKAARO COc1ccc(CCNC(=O)c2ccc(C)nc2C2CC[NH+](Cc3cccc(C)c3)CC2)cc1OC ZINC000034725524 569652851 /nfs/dbraw/zinc/65/28/51/569652851.db2.gz OOZKFTPEHVSAOS-UHFFFAOYSA-N 1 0 487.644 5.068 50 0 JKAARO COc1ccccc1N1CC[NH+](CC[C@H](Oc2cc(C)cc(C(C)C)c2)c2ccccc2)CC1 ZINC000034727086 569652940 /nfs/dbraw/zinc/65/29/40/569652940.db2.gz IFGXQFBMPSKDJZ-LJAQVGFWSA-N 1 0 458.646 6.459 50 0 JKAARO Fc1ccc([C@H](CC[NH+]2CCN(c3ccc(F)cc3)CC2)Oc2ccc(F)cc2Cl)cc1 ZINC000034726814 569652964 /nfs/dbraw/zinc/65/29/64/569652964.db2.gz ZRVASWBSRGBIPC-DEOSSOPVSA-N 1 0 460.927 6.090 50 0 JKAARO COc1ccccc1N1CC[NH+](CC[C@H](Oc2cccc(C(C)C)c2)c2cccs2)CC1 ZINC000034726840 569652973 /nfs/dbraw/zinc/65/29/73/569652973.db2.gz NQUGOLPQDKZBMF-SANMLTNESA-N 1 0 450.648 6.213 50 0 JKAARO COc1ccc([C@@H](CC[NH+]2CCN(c3ccccc3C)CC2)Oc2cc(C)ccc2Cl)cc1 ZINC000034727413 569653030 /nfs/dbraw/zinc/65/30/30/569653030.db2.gz NQBPDVRGTWYSNA-HHHXNRCGSA-N 1 0 465.037 6.298 50 0 JKAARO COc1ccccc1N1CC[NH+](CC[C@@H](Oc2cc(C)cc(C(C)C)c2)c2ccccc2)CC1 ZINC000034727091 569653042 /nfs/dbraw/zinc/65/30/42/569653042.db2.gz IFGXQFBMPSKDJZ-GDLZYMKVSA-N 1 0 458.646 6.459 50 0 JKAARO Fc1ccc(N2CC[NH+](CC[C@H](Oc3ccc(F)c(Cl)c3)c3ccccc3F)CC2)cc1 ZINC000034727332 569653105 /nfs/dbraw/zinc/65/31/05/569653105.db2.gz AEFMXMDAGDUKRK-VWLOTQADSA-N 1 0 460.927 6.090 50 0 JKAARO COc1ccccc1N1CC[NH+](CC[C@H](Oc2ccc(F)c(Cl)c2)c2ccccc2F)CC1 ZINC000034728129 569653207 /nfs/dbraw/zinc/65/32/07/569653207.db2.gz BVLLIJLJBBDJQW-VWLOTQADSA-N 1 0 472.963 5.959 50 0 JKAARO COc1ccc(O[C@H](CCN2CC[NH+](Cc3ccccc3)CC2)c2cccc(Cl)c2)cc1 ZINC000034728563 569653241 /nfs/dbraw/zinc/65/32/41/569653241.db2.gz GYKQLXVWLRORFW-HHHXNRCGSA-N 1 0 451.010 5.677 50 0 JKAARO Cc1cccc([C@H]2C[C@H](C(=O)N3CCN(c4ccccc4F)CC3)C[N@H+](Cc3ccccc3)C2)c1 ZINC000034733590 569653498 /nfs/dbraw/zinc/65/34/98/569653498.db2.gz HYMBZCUTRKQPOP-SVBPBHIXSA-N 1 0 471.620 5.089 50 0 JKAARO Cc1cccc([C@@H]2C[C@@H](C(=O)N3CCN(c4ccccc4F)CC3)C[N@H+](Cc3ccccc3)C2)c1 ZINC000034733593 569653577 /nfs/dbraw/zinc/65/35/77/569653577.db2.gz HYMBZCUTRKQPOP-KAYWLYCHSA-N 1 0 471.620 5.089 50 0 JKAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCC2)o1 ZINC000065054979 569653827 /nfs/dbraw/zinc/65/38/27/569653827.db2.gz XZFDUHCCBBLGAW-FQEVSTJZSA-N 1 0 478.612 6.059 50 0 JKAARO C[N@H+](CCNC(=O)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCC2)o1)C1CCCCC1 ZINC000065054991 569653834 /nfs/dbraw/zinc/65/38/34/569653834.db2.gz IUCFYRATLBVFNB-UHFFFAOYSA-N 1 0 478.612 6.059 50 0 JKAARO C[C@@H]1CCC[N@H+](CCCNC(=O)c2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CCCCC3)o2)C1 ZINC000065055133 569653948 /nfs/dbraw/zinc/65/39/48/569653948.db2.gz OSFZSULTAILSEG-OAQYLSRUSA-N 1 0 492.639 6.306 50 0 JKAARO Cc1cc(O[C@@H](CCN2CC[NH+](Cc3ccccc3)CC2)c2ccccc2F)ccc1C(C)C ZINC000034740098 569655052 /nfs/dbraw/zinc/65/50/52/569655052.db2.gz RYXFWQBYJFEHMO-PMERELPUSA-N 1 0 460.637 6.586 50 0 JKAARO COc1ccc(NC(=O)[C@H]2C[C@@H](c3ccc(F)c(C)c3)C[N@H+](Cc3ccccc3Cl)C2)c(OC)c1 ZINC000034739938 569655091 /nfs/dbraw/zinc/65/50/91/569655091.db2.gz CEQGKCIZFNTOOO-YADHBBJMSA-N 1 0 497.010 6.049 50 0 JKAARO COc1cccc([C@@H](CC[NH+]2CCN(c3ccc(F)cc3)CC2)Oc2ccc(C(C)C)cc2)c1 ZINC000034740045 569655111 /nfs/dbraw/zinc/65/51/11/569655111.db2.gz ZBWMHVCEJQXERK-GDLZYMKVSA-N 1 0 462.609 6.290 50 0 JKAARO COc1ccc(NC(=O)[C@@H]2C[C@H](c3ccc(F)c(C)c3)C[N@H+](Cc3ccccc3Cl)C2)c(OC)c1 ZINC000034739941 569655155 /nfs/dbraw/zinc/65/51/55/569655155.db2.gz CEQGKCIZFNTOOO-FCHUYYIVSA-N 1 0 497.010 6.049 50 0 JKAARO COc1cccc(C[N@@H+]2C[C@H](C(=O)Nc3ccc(OC)cc3OC)C[C@@H](c3ccc(F)c(C)c3)C2)c1 ZINC000034740144 569655249 /nfs/dbraw/zinc/65/52/49/569655249.db2.gz NCJHHCKKVKBGOT-DHIUTWEWSA-N 1 0 492.591 5.404 50 0 JKAARO COc1ccccc1CCNC(=O)[C@H]1C[C@@H](c2ccc(F)c(C)c2)C[N@H+](Cc2ccc(F)cc2)C1 ZINC000034740150 569655313 /nfs/dbraw/zinc/65/53/13/569655313.db2.gz BHKDRWYGXDNCDH-RPBOFIJWSA-N 1 0 478.583 5.246 50 0 JKAARO COc1cccc([C@@H]2C[N@H+](Cc3cc(C)ccc3F)C[C@H]2CN(CC(C)C)C(=O)C(C)C)c1 ZINC000034740299 569655338 /nfs/dbraw/zinc/65/53/38/569655338.db2.gz ICPDNOKXHIAZRS-AHWVRZQESA-N 1 0 454.630 5.499 50 0 JKAARO CC(=O)N(CC(C)C)C[C@@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2)C[C@@H]1c1ccc(F)cc1 ZINC000034740684 569655536 /nfs/dbraw/zinc/65/55/36/569655536.db2.gz JXIPSSVBZUTZCA-XUZZJYLKSA-N 1 0 450.520 5.565 50 0 JKAARO COc1ccc(-c2cn3c(CC(=O)Nc4ccc(C[NH+]5CCCCC5)cc4)csc3n2)cc1OC ZINC000065079625 569659336 /nfs/dbraw/zinc/65/93/36/569659336.db2.gz VDNYSWPJVRTCBG-UHFFFAOYSA-N 1 0 490.629 5.247 50 0 JKAARO CC[NH+]1CCN(C2=Nc3ccccc3Oc3ccc(NC(=O)c4ccccc4Cl)cc32)CC1 ZINC000034790982 569660247 /nfs/dbraw/zinc/66/02/47/569660247.db2.gz RLVGJTINKONSIW-UHFFFAOYSA-N 1 0 460.965 5.414 50 0 JKAARO CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)[NH2+][C@H](C)C13CC4CC(CC(C4)C1)C3)C[C@H](C)CC2 ZINC000034805242 569661198 /nfs/dbraw/zinc/66/11/98/569661198.db2.gz JFEMLVUKXMCDEG-SLIABWOLSA-N 1 0 472.695 5.571 50 0 JKAARO CCCN(Cc1c(C)nn(-c2ccccc2)c1N1CC[NH+](CC)CC1)C(=O)CCC1CCCC1 ZINC000034814849 569662866 /nfs/dbraw/zinc/66/28/66/569662866.db2.gz BKIMCZFVJSVBLQ-UHFFFAOYSA-N 1 0 465.686 5.032 50 0 JKAARO CCCCCCC(=O)N(Cc1c(C)nn(-c2ccccc2)c1N1CC[NH+](CC)CC1)CC(C)C ZINC000034829542 569663011 /nfs/dbraw/zinc/66/30/11/569663011.db2.gz XNDXNGXUAMYNOO-UHFFFAOYSA-N 1 0 467.702 5.278 50 0 JKAARO C[C@@H]1CN(C(=O)CC[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2)CCN1C(=O)CCC1CCCC1 ZINC000034830090 569663529 /nfs/dbraw/zinc/66/35/29/569663529.db2.gz ONCAQLJPQJDOJT-MNNSJKJDSA-N 1 0 493.717 5.115 50 0 JKAARO CCCCCCC(=O)N1CCN(C(=O)CC[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2)C[C@@H]1C ZINC000034830126 569663675 /nfs/dbraw/zinc/66/36/75/569663675.db2.gz AEDVPEYTTPAATJ-DWACAAAGSA-N 1 0 481.706 5.115 50 0 JKAARO CCCCCCC(=O)N1CCCN(C(=O)[C@H](C)[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2C)CC1 ZINC000034830433 569663918 /nfs/dbraw/zinc/66/39/18/569663918.db2.gz GJSCURGNMIPHTM-FIPFOOKPSA-N 1 0 495.733 5.424 50 0 JKAARO CC[NH+]1CCN(c2c(CN(CC(C)C)C(=O)CCC3CCCC3)c(C)nn2-c2cccc(F)c2)CC1 ZINC000034831329 569664089 /nfs/dbraw/zinc/66/40/89/569664089.db2.gz RMZHDZQRFMEAJQ-UHFFFAOYSA-N 1 0 497.703 5.417 50 0 JKAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(-c2ccccc2)nc2cc(-c3ccccc3)nn21 ZINC000034831685 569664261 /nfs/dbraw/zinc/66/42/61/569664261.db2.gz QICHYVPPLSKJJK-OAQYLSRUSA-N 1 0 453.590 5.058 50 0 JKAARO CC[NH+]1CCN(c2c(CN(CCC(C)C)C(=O)Nc3ccccc3)c(C)nn2-c2ccccc2)CC1 ZINC000034832213 569664443 /nfs/dbraw/zinc/66/44/43/569664443.db2.gz IFMAUNJKLKAASJ-UHFFFAOYSA-N 1 0 488.680 5.403 50 0 JKAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cc(-c2ccccc2F)nc2cc(C(C)(C)C)nn21 ZINC000034833428 569664575 /nfs/dbraw/zinc/66/45/75/569664575.db2.gz VZXJEJIYJDGLMR-GOSISDBHSA-N 1 0 453.606 5.073 50 0 JKAARO CCCC[C@@H](CC)C(=O)N(Cc1c(C)nn(-c2ccccc2)c1N1CC[NH+](C)CC1)CC(C)C ZINC000034834371 569664790 /nfs/dbraw/zinc/66/47/90/569664790.db2.gz UHLKXNNAZKHTNA-XMMPIXPASA-N 1 0 467.702 5.134 50 0 JKAARO CCCC[C@H](CC)C(=O)N(CCC(C)C)Cc1c(C)nn(-c2ccccc2)c1N1CC[NH+](C)CC1 ZINC000034834644 569664854 /nfs/dbraw/zinc/66/48/54/569664854.db2.gz BWHHBXGBSZQDBV-VWLOTQADSA-N 1 0 481.729 5.524 50 0 JKAARO CCc1nn(-c2ccc(F)cc2)c(N2CC[NH+](C(C)C)CC2)c1CN(CC(C)C)C(=O)CC(C)(C)C ZINC000034835324 569664940 /nfs/dbraw/zinc/66/49/40/569664940.db2.gz WTAOWJUSBFVSOW-UHFFFAOYSA-N 1 0 499.719 5.525 50 0 JKAARO CCCC[C@H](CC)C(=O)N(Cc1c(C)nn(-c2ccccc2)c1N1CC[NH+](CC)CC1)[C@@H](C)CC ZINC000034834980 569664991 /nfs/dbraw/zinc/66/49/91/569664991.db2.gz VAWFEDZYVYCKOB-ZCYQVOJMSA-N 1 0 481.729 5.666 50 0 JKAARO CCCN(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](CC)CC1)C(=O)Nc1ccc(C)cc1 ZINC000034835812 569665033 /nfs/dbraw/zinc/66/50/33/569665033.db2.gz KYCLGYJZQQTSFF-UHFFFAOYSA-N 1 0 492.643 5.214 50 0 JKAARO CCCC[C@@H](CC)C(=O)N(CCC)Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](CC)CC1 ZINC000034835518 569665069 /nfs/dbraw/zinc/66/50/69/569665069.db2.gz XFCLUTBFCJPEIW-HSZRJFAPSA-N 1 0 485.692 5.417 50 0 JKAARO CCCc1nn(-c2cccc(F)c2)c(N2CC[NH+](CC)CC2)c1CN(Cc1ccoc1)C(C)C ZINC000034836555 569665781 /nfs/dbraw/zinc/66/57/81/569665781.db2.gz ADPVJIQPZLNNFU-UHFFFAOYSA-N 1 0 467.633 5.109 50 0 JKAARO CCc1nn(-c2cccc(C)c2)c(N2CC[NH+](C)CC2)c1CN(Cc1cccc(Cl)c1)C1CC1 ZINC000034836687 569665891 /nfs/dbraw/zinc/66/58/91/569665891.db2.gz QSSIIZDJLFDFPP-UHFFFAOYSA-N 1 0 478.084 5.313 50 0 JKAARO CCc1nn(-c2cccc(C)c2)c(N2CCN(C)CC2)c1C[N@H+](Cc1ccc(C)cc1C)C(C)C ZINC000034836654 569666094 /nfs/dbraw/zinc/66/60/94/569666094.db2.gz YVDBIPPNEBZEIJ-UHFFFAOYSA-N 1 0 473.709 5.522 50 0 JKAARO CCCN(Cc1ccsc1)Cc1c(CC)nn(-c2ccccc2)c1N1CC[NH+](CC)CC1 ZINC000034836888 569666339 /nfs/dbraw/zinc/66/63/39/569666339.db2.gz YDLQHDNJMVWUMO-UHFFFAOYSA-N 1 0 451.684 5.050 50 0 JKAARO CCCc1nn(-c2cccc(Cl)c2)c(N2CCN(C)CC2)c1C[N@H+](Cc1ccccc1)C(C)C ZINC000034837018 569666477 /nfs/dbraw/zinc/66/64/77/569666477.db2.gz XZKDOVGCUXDEAI-UHFFFAOYSA-N 1 0 480.100 5.641 50 0 JKAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)C[C@@H](c1cn(C)c2ccccc12)c1cc(OC)cc(OC)c1 ZINC000034890886 569669263 /nfs/dbraw/zinc/66/92/63/569669263.db2.gz ZRJORRIIXMTOPR-QFQXNSOFSA-N 1 0 479.665 5.344 50 0 JKAARO CCCCN1C(=O)c2ccccc2[C@H](C(=O)NCC[NH+]2CCCCC2)[C@H]1c1cccc(Cl)c1 ZINC000034927646 569673163 /nfs/dbraw/zinc/67/31/63/569673163.db2.gz RPQDQYUWIBSGQJ-LOSJGSFVSA-N 1 0 468.041 5.023 50 0 JKAARO CCCCN1C(=O)c2ccccc2[C@@H](C(=O)NCC[NH+]2CCCCC2)[C@H]1c1cccc(Cl)c1 ZINC000034927644 569673188 /nfs/dbraw/zinc/67/31/88/569673188.db2.gz RPQDQYUWIBSGQJ-JWQCQUIFSA-N 1 0 468.041 5.023 50 0 JKAARO Cn1cc([C@H](CC(=O)NCC[NH+]2CCCC2)c2cccc(Oc3ccccc3)c2)c2ccccc21 ZINC000035372076 569682961 /nfs/dbraw/zinc/68/29/61/569682961.db2.gz NRQDRQXFSZQFKE-HHHXNRCGSA-N 1 0 467.613 5.705 50 0 JKAARO CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccc(C(C)C)cc1)C(c1ccc(F)cc1)=N2 ZINC000035372676 569683170 /nfs/dbraw/zinc/68/31/70/569683170.db2.gz WOZVMSAGVDHMLY-UHFFFAOYSA-N 1 0 466.626 5.334 50 0 JKAARO CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1cc(C)cc(C)c1)C(c1ccc(Cl)cc1)=N2 ZINC000035372618 569683174 /nfs/dbraw/zinc/68/31/74/569683174.db2.gz ZIWKCFQLYDNSIR-UHFFFAOYSA-N 1 0 469.054 5.342 50 0 JKAARO CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1cc(Cl)ccc1C)C(c1ccc(C)cc1)=N2 ZINC000035372870 569683236 /nfs/dbraw/zinc/68/32/36/569683236.db2.gz DNZXPTXLTJKUCH-UHFFFAOYSA-N 1 0 469.054 5.342 50 0 JKAARO CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1cccc(Cl)c1C)C(c1ccc(OC)cc1)=N2 ZINC000035372838 569683329 /nfs/dbraw/zinc/68/33/29/569683329.db2.gz YUJJYQODMJPMJG-UHFFFAOYSA-N 1 0 485.053 5.042 50 0 JKAARO CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccc(Cl)cc1)C(c1ccc(C(C)(C)C)cc1)=N2 ZINC000035397173 569687690 /nfs/dbraw/zinc/68/76/90/569687690.db2.gz GNFMODVLBCILFV-UHFFFAOYSA-N 1 0 497.108 6.023 50 0 JKAARO CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1cc(F)ccc1F)C(c1ccc(C(C)(C)C)cc1)=N2 ZINC000035397172 569687772 /nfs/dbraw/zinc/68/77/72/569687772.db2.gz BSSOMEPXYJBXRP-UHFFFAOYSA-N 1 0 498.643 5.647 50 0 JKAARO COc1ccc([C@H]2C=C(c3ccccc3)S[C@]3(SC[C@@H]4C[NH+]=C(N)S4)CCCC[C@H]23)cc1 ZINC000068686702 569691471 /nfs/dbraw/zinc/69/14/71/569691471.db2.gz OWNRYRHRVALGOO-NZCWTCFWSA-N 1 0 482.740 6.617 50 0 JKAARO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C(F)(F)F)C1 ZINC000068755447 569692110 /nfs/dbraw/zinc/69/21/10/569692110.db2.gz HJMLBEYOJUXEME-CQSZACIVSA-N 1 0 476.465 5.150 50 0 JKAARO CC[N@@H+]1CCc2c(sc3c2CN(C(=O)NCCC(C)C)[C@H](c2ccc(C)cc2)c2cccn2-3)C1 ZINC000035427410 569694209 /nfs/dbraw/zinc/69/42/09/569694209.db2.gz SZHKVZUBLYQMNC-AREMUKBSSA-N 1 0 476.690 5.886 50 0 JKAARO CC[N@@H+]1CCc2c(sc3c2CN(C(=O)NCc2ccccc2)[C@H](c2ccc(C)cc2)c2cccn2-3)C1 ZINC000035427402 569694212 /nfs/dbraw/zinc/69/42/12/569694212.db2.gz TUNZHUPBYOLNQX-MUUNZHRXSA-N 1 0 496.680 6.040 50 0 JKAARO CC[N@@H+]1CCc2c(sc3c2CN(C(=O)Nc2cccc(C)c2)[C@@H](c2ccc(C)cc2)c2cccn2-3)C1 ZINC000035427396 569694230 /nfs/dbraw/zinc/69/42/30/569694230.db2.gz QJCQCXGASSQRSW-NDEPHWFRSA-N 1 0 496.680 6.671 50 0 JKAARO CC[N@@H+]1CCc2c(sc3c2CN(C(=O)Nc2cccc(OC)c2)[C@@H](c2ccccc2)c2cccn2-3)C1 ZINC000035427416 569694347 /nfs/dbraw/zinc/69/43/47/569694347.db2.gz JIUOMOMESROARX-MHZLTWQESA-N 1 0 498.652 6.063 50 0 JKAARO CC[N@@H+]1CCc2c(sc3c2CN(C(=O)Nc2cc(C)ccc2C)[C@@H](c2ccccc2)c2cccn2-3)C1 ZINC000035427425 569694410 /nfs/dbraw/zinc/69/44/10/569694410.db2.gz VERIJJMLOKIZQF-NDEPHWFRSA-N 1 0 496.680 6.671 50 0 JKAARO CC[N@@H+]1CCc2c(sc3c2CN(C(=O)NCCC(C)C)[C@H](c2ccccc2)c2cccn2-3)C1 ZINC000035427448 569694435 /nfs/dbraw/zinc/69/44/35/569694435.db2.gz XJIYUENXQJYOBD-RUZDIDTESA-N 1 0 462.663 5.578 50 0 JKAARO O=c1c2sccc2nc(SCc2cccc(Br)c2)n1CCC[NH+]1CCCCC1 ZINC000071327637 569696669 /nfs/dbraw/zinc/69/66/69/569696669.db2.gz VSZAOPAECPRBRJ-UHFFFAOYSA-N 1 0 478.481 5.389 50 0 JKAARO CC[NH+](CC)CC[C@]1(c2ccccc2)c2ccccc2N(N(C)Cc2ccc(OC)cc2Cl)C1=O ZINC000071767405 569697476 /nfs/dbraw/zinc/69/74/76/569697476.db2.gz UBCAVOOYRJEMDP-LJAQVGFWSA-N 1 0 492.063 5.760 50 0 JKAARO C(N1[C@@H](c2ccccc2)CC[C@@H]1c1ccccc1)=[N+]1[C@@H](c2ccccc2)CC[C@@H]1c1ccccc1 ZINC000071773445 569698161 /nfs/dbraw/zinc/69/81/61/569698161.db2.gz RKWMIVFPGFFTSZ-XEXPGFJZSA-N 1 0 457.641 7.882 50 0 JKAARO COc1ccc(NC(=O)C2CC[NH+](Cc3cc4ccccc4n3Cc3cccc(F)c3)CC2)cc1 ZINC000035511070 569698304 /nfs/dbraw/zinc/69/83/04/569698304.db2.gz OJQKENSVFFDVKM-UHFFFAOYSA-N 1 0 471.576 5.688 50 0 JKAARO O=C(Nc1ccc(F)cc1)C1CC[NH+](Cc2cc3ccccc3n2Cc2cccc(F)c2)CC1 ZINC000035511073 569698373 /nfs/dbraw/zinc/69/83/73/569698373.db2.gz DYSNSXYLKGXKMG-UHFFFAOYSA-N 1 0 459.540 5.819 50 0 JKAARO COc1ccc(CC[NH2+][C@@H](C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c2ccccc2)cc1OC ZINC000035518798 569698706 /nfs/dbraw/zinc/69/87/06/569698706.db2.gz KVKVTXXHHKHGET-HSZRJFAPSA-N 1 0 492.925 5.888 50 0 JKAARO Cc1nc2ccc(Cl)cc2cc1C(=O)Nc1ccccc1N1CC[NH+](CCc2ccncc2)CC1 ZINC000071924338 569699306 /nfs/dbraw/zinc/69/93/06/569699306.db2.gz YWJCSVVHTPFUPY-UHFFFAOYSA-N 1 0 486.019 5.209 50 0 JKAARO Cc1nn(C(C)C)c(C)c1NC(=O)N(Cc1ccc(OCCC(C)C)cc1)CC(C)(C)[NH+](C)C ZINC000072273974 569701479 /nfs/dbraw/zinc/70/14/79/569701479.db2.gz FPJMADPYHULTRG-UHFFFAOYSA-N 1 0 471.690 5.880 50 0 JKAARO Cc1cccc(N2CCN(C(=O)C3CC[NH+](Cc4cn(C)c5ccc(Cl)cc45)CC3)CC2)c1C ZINC000035562275 569704811 /nfs/dbraw/zinc/70/48/11/569704811.db2.gz KEYYIHPCIYUQFU-UHFFFAOYSA-N 1 0 479.068 5.009 50 0 JKAARO CC[NH+](CC)CCC[C@H](C)NC(=O)C[C@H](c1cn(C)c2ccccc12)c1cccc(C(F)(F)F)c1 ZINC000035579589 569704910 /nfs/dbraw/zinc/70/49/10/569704910.db2.gz JAVLINVUXOLEED-RDPSFJRHSA-N 1 0 487.610 6.346 50 0 JKAARO Cc1cccc(CN(C(=O)Nc2cccc(Cl)c2Cl)C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000035686852 569706858 /nfs/dbraw/zinc/70/68/58/569706858.db2.gz YQTLANNMICRWED-UHFFFAOYSA-N 1 0 483.443 6.396 50 0 JKAARO Cc1cccc(CN(C(=O)Nc2ccc(F)cc2F)C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000035686853 569706866 /nfs/dbraw/zinc/70/68/66/569706866.db2.gz ZGIUHJSZTZVNBC-UHFFFAOYSA-N 1 0 450.533 5.367 50 0 JKAARO Cc1cc2oc(=O)c(CC(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)c(C)c2c2occ(-c3ccccc3)c21 ZINC000079188764 569707085 /nfs/dbraw/zinc/70/70/85/569707085.db2.gz TWXFFGDXECIEOL-WIOPSUGQSA-N 1 0 498.623 5.746 50 0 biogenic JKAARO CC[NH+](CC)CCNC(=O)c1cc(NC(=O)Nc2ccc(C(C)C)cc2)ccc1N1CCC(C)CC1 ZINC000035723193 569708190 /nfs/dbraw/zinc/70/81/90/569708190.db2.gz MEPFEHXPTZTSCN-UHFFFAOYSA-N 1 0 493.696 5.762 50 0 JKAARO CC[NH+](CC)CCC[C@H](C)NC(=O)c1ccc(CSc2ccc(-c3ccccc3)nn2)o1 ZINC000035730159 569709179 /nfs/dbraw/zinc/70/91/79/569709179.db2.gz OMONDUCBTLXVLM-IBGZPJMESA-N 1 0 452.624 5.269 50 0 JKAARO O=C(C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)N[C@H]1CC[N@@H+](C2CCCCCC2)C1 ZINC000084522280 569709246 /nfs/dbraw/zinc/70/92/46/569709246.db2.gz LPWICKFBHBOLNF-OFVILXPXSA-N 1 0 468.041 5.115 50 0 JKAARO O=C(C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)N[C@@H]1CC[N@@H+](C2CCCCCC2)C1 ZINC000084522270 569709263 /nfs/dbraw/zinc/70/92/63/569709263.db2.gz LPWICKFBHBOLNF-PXDATVDWSA-N 1 0 468.041 5.115 50 0 JKAARO Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)CN(CC[NH+]2CCCC2)C(=O)c2cccs2)s1 ZINC000035808160 569711866 /nfs/dbraw/zinc/71/18/66/569711866.db2.gz UOFDMRQJAUFRSY-UHFFFAOYSA-N 1 0 499.677 5.024 50 0 JKAARO C[N@H+](CCCNC(=O)c1ccc(Nc2ccnc(-c3ccccc3)n2)cc1)Cc1ccccc1 ZINC000085649853 569712365 /nfs/dbraw/zinc/71/23/65/569712365.db2.gz LWICRMAPEDVSPY-UHFFFAOYSA-N 1 0 451.574 5.139 50 0 JKAARO Cc1cc(Nc2nc(C(=O)NCC[N@H+]3CCCC[C@H]3C)cc3occc32)ccc1Br ZINC000085651289 569713049 /nfs/dbraw/zinc/71/30/49/569713049.db2.gz MVWOFBUVMFRLPP-MRXNPFEDSA-N 1 0 471.399 5.247 50 0 JKAARO CN(C)c1ccc(C2=[NH+]O[C@@H](CN(Cc3ccc(C(F)(F)F)cc3)C(=O)c3cccs3)C2)cc1 ZINC000035835125 569713299 /nfs/dbraw/zinc/71/32/99/569713299.db2.gz KRNLIRAPRPIFPC-OAQYLSRUSA-N 1 0 487.547 5.669 50 0 JKAARO O[C@H](COCc1ccco1)C[N@@H+](Cc1cccn1Cc1ccc(F)cc1)CC1CCCCC1 ZINC000035840578 569713755 /nfs/dbraw/zinc/71/37/55/569713755.db2.gz HHWMKTBUYBHDNS-SANMLTNESA-N 1 0 454.586 5.229 50 0 JKAARO Cc1ccccc1Cn1cccc1C[N@H+](C[C@@H](O)COCc1ccccc1)CC1CCCCC1 ZINC000035840789 569713761 /nfs/dbraw/zinc/71/37/61/569713761.db2.gz UZFZJFHVDKDASN-SSEXGKCCSA-N 1 0 460.662 5.805 50 0 JKAARO Cc1ccccc1C[N@H+](CCN1CCOCC1)Cc1cccn1Cc1cccc(C(F)(F)F)c1 ZINC000035841178 569713923 /nfs/dbraw/zinc/71/39/23/569713923.db2.gz CYRRACQCUNEWFJ-UHFFFAOYSA-N 1 0 471.567 5.198 50 0 JKAARO Cc1ccccc1OC[C@H](O)C[N@H+](Cc1cccn1Cc1cccc(F)c1)C1CCCCC1 ZINC000035840806 569713983 /nfs/dbraw/zinc/71/39/83/569713983.db2.gz OFCWEYKWPMABAI-HHHXNRCGSA-N 1 0 450.598 5.559 50 0 JKAARO CCC[C@@H](O)C[N@H+](CCC)CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1 ZINC000035842579 569714212 /nfs/dbraw/zinc/71/42/12/569714212.db2.gz ZTOWJZOICHNDLM-HHHXNRCGSA-N 1 0 491.720 5.910 50 0 JKAARO CC(C)[N@H+](CC(=O)N1CCS[C@@H]1c1ccc(F)cc1)Cc1ccc(Br)cc1 ZINC000035843613 569714529 /nfs/dbraw/zinc/71/45/29/569714529.db2.gz GZURJDRUYWLODB-OAQYLSRUSA-N 1 0 451.405 5.073 50 0 JKAARO CC(C)CC[N@H+](Cc1cccn1Cc1ccc(C(F)(F)F)cc1)Cc1ccc(F)c(F)c1 ZINC000035844722 569715142 /nfs/dbraw/zinc/71/51/42/569715142.db2.gz GBYQMSHUXSIWIE-UHFFFAOYSA-N 1 0 450.495 6.882 50 0 JKAARO CC(C)[C@@H](C)[N@H+](Cc1cccn1Cc1ccc(C(F)(F)F)cc1)Cc1cc(F)cc(F)c1 ZINC000035844697 569715197 /nfs/dbraw/zinc/71/51/97/569715197.db2.gz TYTWVPDEUOWSPB-GOSISDBHSA-N 1 0 450.495 6.880 50 0 JKAARO COC(=O)c1cccc(C[N@H+](Cc2cccn2Cc2ccc(C(F)(F)F)cc2)[C@@H](C)C(C)C)c1 ZINC000035844700 569715258 /nfs/dbraw/zinc/71/52/58/569715258.db2.gz CPONKIKWFCMBNB-FQEVSTJZSA-N 1 0 472.551 6.389 50 0 JKAARO CC[C@@H](C)[N@H+](CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1ccc(C(C)(C)C)cc1 ZINC000035844785 569715349 /nfs/dbraw/zinc/71/53/49/569715349.db2.gz QJGTYLASPWQGQI-XMMPIXPASA-N 1 0 474.689 6.758 50 0 JKAARO CC[C@H](C)[N@H+](CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1ccc(Br)cc1 ZINC000035844808 569715461 /nfs/dbraw/zinc/71/54/61/569715461.db2.gz ITUHGPNZKMGMCG-NRFANRHFSA-N 1 0 497.477 6.223 50 0 JKAARO CC(C)C[N@H+](CC(=O)N(Cc1ccco1)Cc1ccc(F)cc1)Cc1ccc(C(F)(F)F)cc1 ZINC000035844948 569715568 /nfs/dbraw/zinc/71/55/68/569715568.db2.gz PJTWNHKXOQANQY-UHFFFAOYSA-N 1 0 476.514 6.125 50 0 JKAARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000085878911 569716334 /nfs/dbraw/zinc/71/63/34/569716334.db2.gz OJKMMBZPIPQDDE-XTEPFMGCSA-N 1 0 467.613 5.600 50 0 biogenic JKAARO c1ccc(-c2ccccc2[PH+](C23CC4CC(CC(C4)C2)C3)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000086036913 569716798 /nfs/dbraw/zinc/71/67/98/569716798.db2.gz MSKLBRMTWIUCEQ-UHFFFAOYSA-N 1 0 454.638 8.398 50 0 JKAARO C[C@H](NC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](C3CCCC3)C[C@H]12)c1ccccc1 ZINC000035871498 569718709 /nfs/dbraw/zinc/71/87/09/569718709.db2.gz USZLTFXXAPXIGE-VVMVZBAXSA-N 1 0 471.567 5.188 50 0 JKAARO COc1ccc2c(c1)N1CC[N@@H+](Cc3ccc(Cl)cc3)C[C@@H]1[C@@H](C(=O)N[C@H](C)c1ccccc1)C2 ZINC000035871740 569718957 /nfs/dbraw/zinc/71/89/57/569718957.db2.gz QAIYRSQDAWAHMC-NBYOPXRUSA-N 1 0 490.047 5.089 50 0 JKAARO COc1ccc2c(c1)N1CC[N@@H+](Cc3ccc(Cl)cc3)C[C@@H]1[C@H](C(=O)N[C@H](C)c1ccccc1)C2 ZINC000035871738 569718988 /nfs/dbraw/zinc/71/89/88/569718988.db2.gz QAIYRSQDAWAHMC-WIJPHRNOSA-N 1 0 490.047 5.089 50 0 JKAARO CCn1cc([C@H](CC(=O)NCC[NH+](C)C)c2cccc(Oc3ccccc3)c2)c2ccccc21 ZINC000035872214 569719173 /nfs/dbraw/zinc/71/91/73/569719173.db2.gz INFYYDBXROIOSW-AREMUKBSSA-N 1 0 455.602 5.653 50 0 JKAARO CCn1cc([C@@H](CC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c2ccc(F)cc2)c2ccccc21 ZINC000035872161 569719196 /nfs/dbraw/zinc/71/91/96/569719196.db2.gz XKJRDVZUTRLPSD-NDEPHWFRSA-N 1 0 483.631 6.103 50 0 JKAARO CCn1cc([C@H](CC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c2ccc(C)cc2)c2ccccc21 ZINC000035872116 569719219 /nfs/dbraw/zinc/71/92/19/569719219.db2.gz YNFSTDQQYNUADH-GDLZYMKVSA-N 1 0 479.668 6.272 50 0 JKAARO CC[NH+](CC)[C@@H](CNC(=O)c1cc(-c2ccc3c(c2)OCCO3)on1)c1ccc(C(C)(C)C)cc1 ZINC000094992814 569721474 /nfs/dbraw/zinc/72/14/74/569721474.db2.gz YKNJBBHAFUOKTL-QHCPKHFHSA-N 1 0 477.605 5.223 50 0 JKAARO Cn1cc([C@@H](CC(=O)NCC[NH+]2CCCCC2)c2cccc(C(F)(F)F)c2)c2ccccc21 ZINC000035891759 569722155 /nfs/dbraw/zinc/72/21/55/569722155.db2.gz GHWTVDWUJLEODG-QFIPXVFZSA-N 1 0 457.540 5.321 50 0 JKAARO O=C(Nc1ccc(F)cc1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](C3CCCC3)C[C@H]12 ZINC000035908072 569723922 /nfs/dbraw/zinc/72/39/22/569723922.db2.gz PCTUIEORURJKFZ-JTHBVZDNSA-N 1 0 461.503 5.089 50 0 JKAARO CCc1cccc2c([C@H](CC(=O)N[C@@H](C)CCC[NH+](CC)CC)c3ccccc3OC)c[nH]c21 ZINC000035908360 569724145 /nfs/dbraw/zinc/72/41/45/569724145.db2.gz JWCJNCSVUDJIQL-SQJMNOBHSA-N 1 0 463.666 5.888 50 0 JKAARO COc1cccc([C@H](CC(=O)NCCC[N@@H+]2CCCC[C@H]2C)c2c[nH]c3ccccc32)c1OC ZINC000035910714 569725910 /nfs/dbraw/zinc/72/59/10/569725910.db2.gz JAMXHXVUHRCKPC-OFNKIYASSA-N 1 0 463.622 5.088 50 0 JKAARO CCOc1cccc2c1cc(C(=O)N(CC[NH+](C)C)Cc1ccccc1)n2Cc1cccc(F)c1 ZINC000035924515 569728051 /nfs/dbraw/zinc/72/80/51/569728051.db2.gz XBBJPPDBROTNEL-UHFFFAOYSA-N 1 0 473.592 5.431 50 0 JKAARO CCOc1cccc2c1cc(C(=O)N[C@@H](C)CCC[NH+](CC)CC)n2CCCc1ccccc1 ZINC000035925293 569728769 /nfs/dbraw/zinc/72/87/69/569728769.db2.gz QKLMTUYZANZTNI-QHCPKHFHSA-N 1 0 463.666 5.913 50 0 JKAARO CCc1ccc([C@@H](Cc2ccc(OCC[NH+]3CCCC3)cc2)C(=O)c2ccccc2Cl)nc1 ZINC000095918070 569729480 /nfs/dbraw/zinc/72/94/80/569729480.db2.gz HUHZTNVGOBGPNU-RUZDIDTESA-N 1 0 463.021 5.981 50 0 JKAARO Fc1ccc(C(CCC[N@H+]2CC=C(Oc3ccc(F)cc3F)CC2)c2ccc(F)cc2)cc1 ZINC000095918222 569729609 /nfs/dbraw/zinc/72/96/09/569729609.db2.gz MVNAWLTYSZZPBK-UHFFFAOYSA-N 1 0 455.495 6.824 50 0 JKAARO CCC[C@H](C)c1nc2c(cnn2-c2ccccc2)c(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)n1 ZINC000035926127 569729698 /nfs/dbraw/zinc/72/96/98/569729698.db2.gz OLRNNQDDLVXLDQ-NRFANRHFSA-N 1 0 472.612 5.571 50 0 JKAARO C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000095949700 569731355 /nfs/dbraw/zinc/73/13/55/569731355.db2.gz BSWMLCQZWDFKSJ-IBGZPJMESA-N 1 0 468.428 5.728 50 0 JKAARO COc1ccccc1CNc1[nH+]ccc2c1c1ncnc(-c3ccccc3)c1n2Cc1ccccc1 ZINC000035939837 569731512 /nfs/dbraw/zinc/73/15/12/569731512.db2.gz WDIWXXXMDCNWLX-UHFFFAOYSA-N 1 0 471.564 6.316 50 0 JKAARO Cc1ncc(C[NH2+][C@H](CO)Cc2ccccc2)c2cc(-c3cc(=O)oc4cc5c(cc43)CCC5)oc21 ZINC000096116465 569735477 /nfs/dbraw/zinc/73/54/77/569735477.db2.gz ZNQGUIKJDFHIMZ-QHCPKHFHSA-N 1 0 480.564 5.092 50 0 biogenic JKAARO C[NH2+]Cc1ccc(C)c(NC(=O)c2ccc(Nc3nc4ccccc4c(-c4ccccc4)n3)cc2)c1 ZINC000096170449 569737068 /nfs/dbraw/zinc/73/70/68/569737068.db2.gz KLRRGBHZCJLIEL-UHFFFAOYSA-N 1 0 473.580 6.321 50 0 in-man JKAARO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)c1cc(-c3cccnc3)nc3ccccc31)c1ccccc1O2 ZINC000096997116 569743960 /nfs/dbraw/zinc/74/39/60/569743960.db2.gz XZNWZIBVCFVLCU-AREMUKBSSA-N 1 0 464.569 5.015 50 0 JKAARO Cc1ccc2nc(-c3ccc(N4C(=O)C[C@H]([N@@H+]5CCC[C@H]6CCCC[C@@H]65)C4=O)cc3)sc2c1 ZINC000036047212 569755642 /nfs/dbraw/zinc/75/56/42/569755642.db2.gz AAUUMHAFSZYNOZ-LEOXJPRUSA-N 1 0 459.615 5.558 50 0 JKAARO Cc1ccc(C[N@H+](Cc2ccc(C(O)(c3ccc(F)cc3)c3ccc(F)cc3)o2)CC(C)C)o1 ZINC000036202570 569757053 /nfs/dbraw/zinc/75/70/53/569757053.db2.gz SPVSGHWWGFNJJY-UHFFFAOYSA-N 1 0 465.540 6.402 50 0 JKAARO COc1ccc(C(O)(c2ccc(C[N@@H+](Cc3ccc(C)o3)CC(C)C)o2)c2ccc(OC)cc2)cc1 ZINC000036202550 569757084 /nfs/dbraw/zinc/75/70/84/569757084.db2.gz WDLKYDBLHSHCBE-UHFFFAOYSA-N 1 0 489.612 6.141 50 0 JKAARO CCC[N@@H+](Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccc(OC)cc1)C[C@H](O)CC ZINC000036301657 569759026 /nfs/dbraw/zinc/75/90/26/569759026.db2.gz JYYDLGVJGKCFPH-OAQYLSRUSA-N 1 0 458.002 5.618 50 0 JKAARO COc1ccc(Oc2c(C[N@H+](C[C@H](C)O)CC3CC3)c(C)nn2-c2cccc(Cl)c2)cc1 ZINC000036301710 569759216 /nfs/dbraw/zinc/75/92/16/569759216.db2.gz YQOMAKRCKJNGEX-KRWDZBQOSA-N 1 0 455.986 5.228 50 0 JKAARO COc1ccc(Oc2c(C[N@H+](C[C@@H](O)C(C)C)CC3CC3)c(C)nn2-c2cccc(Cl)c2)cc1 ZINC000036301694 569759249 /nfs/dbraw/zinc/75/92/49/569759249.db2.gz LQFJXSIAKGHABC-AREMUKBSSA-N 1 0 484.040 5.864 50 0 JKAARO Cc1nn(-c2cccc(Cl)c2)c(Oc2ccccc2)c1C[N@H+](C[C@H](O)Cc1ccccc1)C1CC1 ZINC000036301783 569759266 /nfs/dbraw/zinc/75/92/66/569759266.db2.gz KQSRWVAGMKQZGZ-AREMUKBSSA-N 1 0 488.031 6.194 50 0 JKAARO CCC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccc(OC)cc1)CC1CC1 ZINC000036301700 569759292 /nfs/dbraw/zinc/75/92/92/569759292.db2.gz JUFFMTMSRPDFBK-HSZRJFAPSA-N 1 0 484.040 6.008 50 0 JKAARO CC[C@H](C)[N@@H+](Cc1c(-c2ccccc2)noc1N1CCCCC1)C[C@H](O)COCc1ccccc1 ZINC000036313005 569760565 /nfs/dbraw/zinc/76/05/65/569760565.db2.gz WYYCHIWVOIVBSD-OZXSUGGESA-N 1 0 477.649 5.510 50 0 JKAARO CCCC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)CC(C)C ZINC000036313738 569760929 /nfs/dbraw/zinc/76/09/29/569760929.db2.gz PKHSAPCRGLPJIF-XMMPIXPASA-N 1 0 465.638 5.991 50 0 JKAARO CCCC[C@@H](O)C[N@H+](CCC)Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1OC ZINC000036313671 569760956 /nfs/dbraw/zinc/76/09/56/569760956.db2.gz OCPVJDJQVOKCAA-HSZRJFAPSA-N 1 0 465.638 5.999 50 0 JKAARO CCCC[C@@H](O)C[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1cccc(OC)c1)CC1CC1 ZINC000036313665 569760971 /nfs/dbraw/zinc/76/09/71/569760971.db2.gz BNIMEAXHNKEFLC-XMMPIXPASA-N 1 0 477.649 5.999 50 0 JKAARO CCCC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1)C(C)C ZINC000036313770 569761024 /nfs/dbraw/zinc/76/10/24/569761024.db2.gz FZVNYDSIVQWRGH-JOCHJYFZSA-N 1 0 451.611 5.650 50 0 JKAARO CCCCOC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1)C1CC1 ZINC000036313775 569761030 /nfs/dbraw/zinc/76/10/30/569761030.db2.gz HRHVYEBHBUUGSJ-HSZRJFAPSA-N 1 0 479.621 5.030 50 0 JKAARO CCCC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)CC(C)C ZINC000036313736 569761057 /nfs/dbraw/zinc/76/10/57/569761057.db2.gz PKHSAPCRGLPJIF-DEOSSOPVSA-N 1 0 465.638 5.991 50 0 JKAARO CCCC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)CC(C)C ZINC000036313809 569761092 /nfs/dbraw/zinc/76/10/92/569761092.db2.gz JRSXCCKQNVQJFH-QFIPXVFZSA-N 1 0 453.602 6.028 50 0 JKAARO CCCCOC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)C1CC1 ZINC000036313790 569761149 /nfs/dbraw/zinc/76/11/49/569761149.db2.gz RQFDVKMXYCGXIU-QHCPKHFHSA-N 1 0 479.621 5.030 50 0 JKAARO CCCCOC[C@H](O)C[N@H+](CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1 ZINC000036313847 569761230 /nfs/dbraw/zinc/76/12/30/569761230.db2.gz FQDAXZLIZNWHOI-XMMPIXPASA-N 1 0 451.611 5.363 50 0 JKAARO CCCC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)CC1CC1 ZINC000036313987 569761630 /nfs/dbraw/zinc/76/16/30/569761630.db2.gz KCVDXCKDGCCBLP-QHCPKHFHSA-N 1 0 451.586 5.782 50 0 JKAARO CCCCOC[C@@H](O)C[N@H+](CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1 ZINC000036313938 569761639 /nfs/dbraw/zinc/76/16/39/569761639.db2.gz CYVIRIYPURXVFU-QHCPKHFHSA-N 1 0 481.637 5.278 50 0 JKAARO CCCC[C@@H](O)C[N@H+](CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1 ZINC000036313936 569761657 /nfs/dbraw/zinc/76/16/57/569761657.db2.gz MBZGZFSEGBGQSX-JOCHJYFZSA-N 1 0 451.611 5.651 50 0 JKAARO CCCCOC[C@@H](O)C[N@H+](CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1 ZINC000036313960 569761696 /nfs/dbraw/zinc/76/16/96/569761696.db2.gz AVRSNNZNMGPOPT-QHCPKHFHSA-N 1 0 481.637 5.278 50 0 JKAARO CCCC[C@H](O)C[N@H+](CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1 ZINC000036313935 569761699 /nfs/dbraw/zinc/76/16/99/569761699.db2.gz MBZGZFSEGBGQSX-QFIPXVFZSA-N 1 0 451.611 5.651 50 0 JKAARO CCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1F)C[C@H](O)COCC(C)C ZINC000036316146 569762081 /nfs/dbraw/zinc/76/20/81/569762081.db2.gz GXIZKGQKSGZNPC-QFIPXVFZSA-N 1 0 487.591 5.403 50 0 JKAARO CC[C@H](C)[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@H](O)COC(C)C ZINC000036316215 569762261 /nfs/dbraw/zinc/76/22/61/569762261.db2.gz KQYJAQZLNOMSBI-GMAHTHKFSA-N 1 0 451.611 5.266 50 0 JKAARO CC[C@@H](C)[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@H](O)COCC(C)C ZINC000036316216 569762287 /nfs/dbraw/zinc/76/22/87/569762287.db2.gz NSVUJGQHXJDCSG-VWNXMTODSA-N 1 0 465.638 5.513 50 0 JKAARO CC[C@H](C)[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@H](O)COCC(C)C ZINC000036316217 569762366 /nfs/dbraw/zinc/76/23/66/569762366.db2.gz NSVUJGQHXJDCSG-UPVQGACJSA-N 1 0 465.638 5.513 50 0 JKAARO CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@H+](C[C@@H](O)COCC(C)C)C(C)C ZINC000036316263 569762519 /nfs/dbraw/zinc/76/25/19/569762519.db2.gz XKUCFZSSXCJBGF-XMMPIXPASA-N 1 0 465.638 5.471 50 0 JKAARO CCC[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1)C[C@@H](O)COc1ccccc1 ZINC000036316293 569762534 /nfs/dbraw/zinc/76/25/34/569762534.db2.gz WHRMFIBEBUALOE-RUZDIDTESA-N 1 0 485.628 5.879 50 0 JKAARO CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@H+](C[C@H](O)COC(C)C)CC1CC1 ZINC000036316322 569762566 /nfs/dbraw/zinc/76/25/66/569762566.db2.gz JVXWXJYJQFTKSA-DEOSSOPVSA-N 1 0 463.622 5.225 50 0 JKAARO CCCCOC[C@@H](O)C[N@H+](CCC)Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1 ZINC000036316317 569762575 /nfs/dbraw/zinc/76/25/75/569762575.db2.gz MTUSHHCJLCDKKS-DEOSSOPVSA-N 1 0 465.638 5.617 50 0 JKAARO CCCC(=O)OC[C@H](O)C[N@@H+](CCC)Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1 ZINC000036316308 569762603 /nfs/dbraw/zinc/76/26/03/569762603.db2.gz BAQBSMMZMHDBHW-HSZRJFAPSA-N 1 0 479.621 5.143 50 0 JKAARO CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@H+](C[C@H](O)COCC(C)C)C(C)C ZINC000036316262 569762624 /nfs/dbraw/zinc/76/26/24/569762624.db2.gz XKUCFZSSXCJBGF-DEOSSOPVSA-N 1 0 465.638 5.471 50 0 JKAARO CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@H+](C[C@@H](O)COc1ccccc1)CC1CC1 ZINC000036316321 569762656 /nfs/dbraw/zinc/76/26/56/569762656.db2.gz YVJIHZPNUGUKFT-AREMUKBSSA-N 1 0 497.639 5.879 50 0 JKAARO CCCC(=O)OC[C@@H](O)C[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1)C(C)C ZINC000036316273 569762659 /nfs/dbraw/zinc/76/26/59/569762659.db2.gz COKFWXLODKKFKB-QHCPKHFHSA-N 1 0 479.621 5.142 50 0 JKAARO CCCC(=O)OC[C@@H](O)C[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1)CC1CC1 ZINC000036316337 569762680 /nfs/dbraw/zinc/76/26/80/569762680.db2.gz GNYNLVILHQMYDO-DEOSSOPVSA-N 1 0 491.632 5.143 50 0 JKAARO CCc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@H+](C[C@H](O)COC(C)C)CC1CC1 ZINC000036316482 569763000 /nfs/dbraw/zinc/76/30/00/569763000.db2.gz IUHJQNGJXCTIRZ-QHCPKHFHSA-N 1 0 481.612 5.364 50 0 JKAARO CCC[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@@H](O)COC(C)C ZINC000036316469 569763067 /nfs/dbraw/zinc/76/30/67/569763067.db2.gz XXOXCTDDWVAQQF-JOCHJYFZSA-N 1 0 469.601 5.364 50 0 JKAARO CCC[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C[C@@H](O)COCC(C)C ZINC000036316507 569763267 /nfs/dbraw/zinc/76/32/67/569763267.db2.gz DAAUHQPZRUWCER-XMMPIXPASA-N 1 0 483.628 5.612 50 0 JKAARO CCC[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C[C@H](O)COC(C)C ZINC000036316502 569763270 /nfs/dbraw/zinc/76/32/70/569763270.db2.gz LMINUXCYTSLJSZ-QHCPKHFHSA-N 1 0 469.601 5.364 50 0 JKAARO CCCC[C@@H](O)C[NH+]1CCN(c2nc(-c3ccccc3)nc(C)c2Cc2ccccc2C)CC1 ZINC000036340157 569763570 /nfs/dbraw/zinc/76/35/70/569763570.db2.gz LGCKSLLFIKQMIX-AREMUKBSSA-N 1 0 458.650 5.024 50 0 JKAARO O=C1C[C@@H](N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000100531909 569763868 /nfs/dbraw/zinc/76/38/68/569763868.db2.gz DHMYCBSYZHBORE-XMMPIXPASA-N 1 0 494.422 5.033 50 0 JKAARO CCCC[C@@H](O)C[NH+]1CCN(c2nc(-c3ccccc3)nc(CC)c2Cc2ccccc2F)CC1 ZINC000036340853 569764007 /nfs/dbraw/zinc/76/40/07/569764007.db2.gz FVGXYIGHHZNSGL-XMMPIXPASA-N 1 0 476.640 5.109 50 0 JKAARO CC[C@@H](C)[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@H](O)COC(C)(C)C ZINC000036342012 569765036 /nfs/dbraw/zinc/76/50/36/569765036.db2.gz CIPQFWXPVBYLNG-OFNKIYASSA-N 1 0 483.628 5.889 50 0 JKAARO CC[C@@H](C)[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@H](O)COC(C)C ZINC000036342008 569765042 /nfs/dbraw/zinc/76/50/42/569765042.db2.gz HZOWYFLPMBRRRR-OFNKIYASSA-N 1 0 469.601 5.499 50 0 JKAARO CC[C@H](C)[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@H](O)COC(C)(C)C ZINC000036342013 569765045 /nfs/dbraw/zinc/76/50/45/569765045.db2.gz CIPQFWXPVBYLNG-REWPJTCUSA-N 1 0 483.628 5.889 50 0 JKAARO COc1cccc(Oc2c(C[N@H+](CC(C)C)C[C@@H](O)COC(C)C)c(C)nn2-c2ccccc2)c1 ZINC000036341961 569765063 /nfs/dbraw/zinc/76/50/63/569765063.db2.gz LIZDFQPBXAJDLF-XMMPIXPASA-N 1 0 481.637 5.226 50 0 JKAARO CC[C@H](C)[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C[C@H](O)COC(C)C ZINC000036341983 569765090 /nfs/dbraw/zinc/76/50/90/569765090.db2.gz DHSMAQLGFKJTPZ-URXFXBBRSA-N 1 0 481.637 5.368 50 0 JKAARO CC[C@@H](C)[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C[C@H](O)COC(C)(C)C ZINC000036341986 569765096 /nfs/dbraw/zinc/76/50/96/569765096.db2.gz BSGUTWPMMGAERR-QPPBQGQZSA-N 1 0 495.664 5.758 50 0 JKAARO CCCCOC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)CC(C)C ZINC000036341959 569765148 /nfs/dbraw/zinc/76/51/48/569765148.db2.gz IHKRJLAVVOSWHV-VWLOTQADSA-N 1 0 495.664 5.617 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[N@@H+](CC(C)C)C[C@@H](O)COCC(C)C ZINC000036342025 569765244 /nfs/dbraw/zinc/76/52/44/569765244.db2.gz DZHVBYAHTPHHFH-RUZDIDTESA-N 1 0 483.628 5.604 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[N@@H+](C[C@@H](O)COCC(C)C)C(C)C ZINC000036342059 569765251 /nfs/dbraw/zinc/76/52/51/569765251.db2.gz JVOSCEDJWXHUAO-XMMPIXPASA-N 1 0 469.601 5.356 50 0 JKAARO CCOC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)[C@H](C)CC ZINC000036342080 569765347 /nfs/dbraw/zinc/76/53/47/569765347.db2.gz LEPSVFLGUWXHOD-XXBNENTESA-N 1 0 455.574 5.110 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[N@H+](CC(C)C)C[C@H](O)COC(C)(C)C ZINC000036342030 569765371 /nfs/dbraw/zinc/76/53/71/569765371.db2.gz DQXFHNOOOXGOSE-DEOSSOPVSA-N 1 0 483.628 5.746 50 0 JKAARO COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)C[NH+]2CCC(Cc3ccccc3)CC2)c(OC)c1 ZINC000036343359 569766311 /nfs/dbraw/zinc/76/63/11/569766311.db2.gz AALYXROTEKFYHL-LJAQVGFWSA-N 1 0 497.639 5.336 50 0 JKAARO CCOc1ccc([C@H]2CC(c3ccccc3Cl)=NN2C(=O)C[N@H+](C)C2CCCCC2)cc1 ZINC000036344021 569766735 /nfs/dbraw/zinc/76/67/35/569766735.db2.gz MUQQBMANKATZEH-RUZDIDTESA-N 1 0 454.014 5.681 50 0 JKAARO Cc1ccc(C)c([C@H]2CC(c3ccc(F)cc3)=NN2C(=O)C[NH+]2CCC(Cc3ccccc3)CC2)c1 ZINC000036344519 569767037 /nfs/dbraw/zinc/76/70/37/569767037.db2.gz VGENDUKSLVHEFE-SSEXGKCCSA-N 1 0 483.631 6.075 50 0 JKAARO COc1cccc(C2=NN(C(=O)C[NH+]3CCC(Cc4ccccc4)CC3)[C@@H](c3ccccc3C)C2)c1 ZINC000036344966 569767434 /nfs/dbraw/zinc/76/74/34/569767434.db2.gz HKGTUPOAUCFROK-SSEXGKCCSA-N 1 0 481.640 5.636 50 0 JKAARO Cc1ccccc1[C@H]1CC(c2ccccc2Cl)=NN1C(=O)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000036344898 569767502 /nfs/dbraw/zinc/76/75/02/569767502.db2.gz CSDIIVXRAPLZJB-GDLZYMKVSA-N 1 0 486.059 6.281 50 0 JKAARO Cc1cccc(C2=NN(C(=O)C[NH+]3CCC(Cc4ccccc4)CC3)[C@H](c3ccc(F)cc3)C2)c1 ZINC000036345245 569767853 /nfs/dbraw/zinc/76/78/53/569767853.db2.gz QLYZKAIXINMVOQ-LJAQVGFWSA-N 1 0 469.604 5.767 50 0 JKAARO O=C(C[NH+]1CCC(Cc2ccccc2)CC1)N1N=C(c2cccc(F)c2)C[C@H]1c1ccc2c(c1)OCO2 ZINC000036345617 569767963 /nfs/dbraw/zinc/76/79/63/569767963.db2.gz VOPPBMWBBFGBRS-MHZLTWQESA-N 1 0 499.586 5.187 50 0 JKAARO COc1cccc([C@H]2CC(c3cc(C)ccc3C)=NN2C(=O)C[NH+]2CCC(Cc3ccccc3)CC2)c1 ZINC000036345696 569768131 /nfs/dbraw/zinc/76/81/31/569768131.db2.gz KPGKMYBSZSOQLB-WJOKGBTCSA-N 1 0 495.667 5.944 50 0 JKAARO CCc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[N@H+](C[C@@H](O)COCC(C)C)C(C)C ZINC000036345806 569768135 /nfs/dbraw/zinc/76/81/35/569768135.db2.gz UYZIJLMETHNOMT-XMMPIXPASA-N 1 0 483.628 5.610 50 0 JKAARO Cc1ccc([C@@H]2CC(c3ccccc3F)=NN2C(=O)C[NH+]2CCC(Cc3ccccc3)CC2)c(C)c1 ZINC000036345741 569768147 /nfs/dbraw/zinc/76/81/47/569768147.db2.gz PPHJMULIYVHJNB-PMERELPUSA-N 1 0 483.631 6.075 50 0 JKAARO COc1ccc(C2=NN(C(=O)C[NH+]3CCC(Cc4ccccc4)CC3)[C@@H](c3ccc(C)cc3C)C2)cc1 ZINC000036345770 569768190 /nfs/dbraw/zinc/76/81/90/569768190.db2.gz BBDPNPWPHFQPJK-WJOKGBTCSA-N 1 0 495.667 5.944 50 0 JKAARO CCCCOC[C@@H](O)C[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C(C)C ZINC000036345798 569768218 /nfs/dbraw/zinc/76/82/18/569768218.db2.gz VPRIYPCMQQUGQC-DEOSSOPVSA-N 1 0 483.628 5.754 50 0 JKAARO Cc1ccc([C@H]2CC(c3ccccc3F)=NN2C(=O)C[NH+]2CCC(Cc3ccccc3)CC2)c(C)c1 ZINC000036345742 569768229 /nfs/dbraw/zinc/76/82/29/569768229.db2.gz PPHJMULIYVHJNB-SSEXGKCCSA-N 1 0 483.631 6.075 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@@H+](C[C@H](O)COCC(C)C)C(C)C ZINC000036345861 569768331 /nfs/dbraw/zinc/76/83/31/569768331.db2.gz SYWSBQZXBCJZRJ-VWLOTQADSA-N 1 0 465.638 5.525 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@H+](C[C@@H](O)Cc1ccccc1)C1CC1 ZINC000036345886 569768389 /nfs/dbraw/zinc/76/83/89/569768389.db2.gz NQFAWKMFSWOFMQ-MHZLTWQESA-N 1 0 467.613 5.849 50 0 JKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@H](O)c1ccccc1 ZINC000036345907 569768406 /nfs/dbraw/zinc/76/84/06/569768406.db2.gz LSMXQIANMUILMV-NDEPHWFRSA-N 1 0 455.602 6.227 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@@H+](C[C@H](O)COC(C)(C)C)C(C)C ZINC000036345865 569768432 /nfs/dbraw/zinc/76/84/32/569768432.db2.gz LSWSWNUHWDGRJB-DEOSSOPVSA-N 1 0 465.638 5.668 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@@H+](C[C@@H](O)COCc1ccccc1)C(C)C ZINC000036345856 569768463 /nfs/dbraw/zinc/76/84/63/569768463.db2.gz VNBVEVACDICEKP-MUUNZHRXSA-N 1 0 499.655 6.070 50 0 JKAARO CCCCOC[C@H](O)C[N@H+](CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1 ZINC000036345905 569768474 /nfs/dbraw/zinc/76/84/74/569768474.db2.gz CQXFFHHIKJJBEZ-RUZDIDTESA-N 1 0 465.638 5.671 50 0 JKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@H](O)COCC(C)C ZINC000036345919 569768562 /nfs/dbraw/zinc/76/85/62/569768562.db2.gz AVCLVGVUQHUPQH-VWLOTQADSA-N 1 0 465.638 5.527 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@H+](C[C@H](O)COC(C)(C)C)CC1CC1 ZINC000036346097 569768740 /nfs/dbraw/zinc/76/87/40/569768740.db2.gz LPQIWMYSSSFEOZ-QHCPKHFHSA-N 1 0 481.612 5.500 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@H+](C[C@@H](O)COC(C)(C)C)CC1CC1 ZINC000036346098 569768801 /nfs/dbraw/zinc/76/88/01/569768801.db2.gz LPQIWMYSSSFEOZ-HSZRJFAPSA-N 1 0 481.612 5.500 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@H+](C[C@H](O)Cc1ccccc1)CC1CC1 ZINC000036346087 569768817 /nfs/dbraw/zinc/76/88/17/569768817.db2.gz KBCFPAJDYUAWKF-AREMUKBSSA-N 1 0 485.603 5.928 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@H+](C[C@H](O)COCC(C)C)CC1CC1 ZINC000036346089 569768826 /nfs/dbraw/zinc/76/88/26/569768826.db2.gz SSRSCRGAAYVQAA-DEOSSOPVSA-N 1 0 481.612 5.358 50 0 JKAARO CC[C@H](C)[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@H](O)COC(C)(C)C ZINC000036346186 569769224 /nfs/dbraw/zinc/76/92/24/569769224.db2.gz PDZJRYUJRMHQMZ-DHLKQENFSA-N 1 0 479.665 6.058 50 0 JKAARO CC[C@@H](C)[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@H](O)COC(C)(C)C ZINC000036346185 569769352 /nfs/dbraw/zinc/76/93/52/569769352.db2.gz PDZJRYUJRMHQMZ-RDGATRHJSA-N 1 0 479.665 6.058 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@@H+](C[C@H](O)Cc1ccccc1)C(C)C ZINC000036346293 569769472 /nfs/dbraw/zinc/76/94/72/569769472.db2.gz UQDYIPPOAFIYLA-AREMUKBSSA-N 1 0 473.592 5.926 50 0 JKAARO CC[C@H](C)[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@H](O)COC(C)C ZINC000036346316 569769490 /nfs/dbraw/zinc/76/94/90/569769490.db2.gz WXIPNPZQGLYDIU-RDPSFJRHSA-N 1 0 469.601 5.499 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@@H+](C[C@@H](O)COCC(C)C)C(C)C ZINC000036346296 569769558 /nfs/dbraw/zinc/76/95/58/569769558.db2.gz JCIOEHGMKXHTHD-XMMPIXPASA-N 1 0 469.601 5.356 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@H+](C[C@@H](O)c1ccccc1)CC1CC1 ZINC000036346418 569769621 /nfs/dbraw/zinc/76/96/21/569769621.db2.gz LTUDNZDRTIHKRI-MUUNZHRXSA-N 1 0 471.576 6.058 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@H+](C[C@@H](O)Cc1ccccc1)CC1CC1 ZINC000036346424 569769657 /nfs/dbraw/zinc/76/96/57/569769657.db2.gz UJIXXXCGERBUAW-MHZLTWQESA-N 1 0 485.603 5.928 50 0 JKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@H](O)COC(C)C ZINC000036346372 569769751 /nfs/dbraw/zinc/76/97/51/569769751.db2.gz RPNMVDJBOOWKOF-QHCPKHFHSA-N 1 0 455.574 5.110 50 0 JKAARO CCc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@H+](C[C@H](O)COC(C)C)C(C)C ZINC000036346507 569769831 /nfs/dbraw/zinc/76/98/31/569769831.db2.gz OIYFXYRFYSFFPT-DEOSSOPVSA-N 1 0 465.638 5.532 50 0 JKAARO CCc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@H+](C[C@H](O)COCC(C)C)C(C)C ZINC000036346509 569769876 /nfs/dbraw/zinc/76/98/76/569769876.db2.gz VNUNBOSZXKYTFG-VWLOTQADSA-N 1 0 479.665 5.779 50 0 JKAARO CCC[N@@H+](Cc1c(C(C)C)nn(-c2ccc(OC)cc2)c1Oc1ccccc1)C[C@H](O)COC ZINC000036346497 569769912 /nfs/dbraw/zinc/76/99/12/569769912.db2.gz JWXZFACYNATHHL-QFIPXVFZSA-N 1 0 467.610 5.016 50 0 JKAARO CCOC[C@@H](O)C[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(C)cc1)CC1CC1 ZINC000036346550 569770102 /nfs/dbraw/zinc/77/01/02/569770102.db2.gz XUMMMRRDOXDYIK-DEOSSOPVSA-N 1 0 463.622 5.145 50 0 JKAARO CCCC[C@@H](O)C[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(C)cc1)CC1CC1 ZINC000036346554 569770120 /nfs/dbraw/zinc/77/01/20/569770120.db2.gz GCPXNRQUHWFIMD-RUZDIDTESA-N 1 0 461.650 6.299 50 0 JKAARO CCc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@H+](C[C@@H](O)COCC(C)C)CC1CC1 ZINC000036346537 569770123 /nfs/dbraw/zinc/77/01/23/569770123.db2.gz YIVFIKWMJGUMEG-AREMUKBSSA-N 1 0 491.676 5.781 50 0 JKAARO Cc1nn(-c2ccc(F)cc2)c(Oc2cccc(F)c2)c1C[N@@H+](C[C@@H](O)COC(C)(C)C)C(C)C ZINC000036346640 569770326 /nfs/dbraw/zinc/77/03/26/569770326.db2.gz HEIYELNWQWRMJJ-HSZRJFAPSA-N 1 0 487.591 5.638 50 0 JKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1cccc(F)c1)C[C@@H](O)COC(C)C ZINC000036346652 569770373 /nfs/dbraw/zinc/77/03/73/569770373.db2.gz KMTZRCANRMIKGI-HSZRJFAPSA-N 1 0 473.564 5.249 50 0 JKAARO CCCCOC[C@@H](O)C[N@H+](CCC)Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccccc1F ZINC000036346618 569770389 /nfs/dbraw/zinc/77/03/89/569770389.db2.gz ZHDMPAKBUCLVJY-QHCPKHFHSA-N 1 0 487.591 5.641 50 0 JKAARO Cc1ccc(Oc2c(C[N@H+](CC(C)C)C[C@@H](O)COC(C)(C)C)c(-c3ccccc3)nn2C)cc1 ZINC000036346784 569770786 /nfs/dbraw/zinc/77/07/86/569770786.db2.gz DUJGDRFKZCMTCJ-XMMPIXPASA-N 1 0 479.665 5.822 50 0 JKAARO CCCC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1)C1CC1 ZINC000036346742 569770802 /nfs/dbraw/zinc/77/08/02/569770802.db2.gz ATFMWBBJVOPSCS-HSZRJFAPSA-N 1 0 455.549 5.767 50 0 JKAARO CCOC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)CC(C)C ZINC000036346791 569770807 /nfs/dbraw/zinc/77/08/07/569770807.db2.gz DGBDPZRSGVKIJF-HSZRJFAPSA-N 1 0 451.611 5.043 50 0 JKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1)C[C@@H](O)Cc1ccccc1 ZINC000036346750 569770914 /nfs/dbraw/zinc/77/09/14/569770914.db2.gz BUZXDEYPNGORLL-SANMLTNESA-N 1 0 491.582 6.067 50 0 JKAARO COc1cccc([C@H]2C[N@H+](Cc3ccccc3F)C[C@H]2CN(CC(C)C)C(=O)c2ccc(F)cc2)c1 ZINC000037276290 569782157 /nfs/dbraw/zinc/78/21/57/569782157.db2.gz OYTMRPUISWKNIR-LBNVMWSVSA-N 1 0 492.610 5.987 50 0 JKAARO COc1cccc([C@@H]2C[N@H+](Cc3ccc(C)cc3)C[C@@H]2CN(CC(C)C)C(=O)c2ccc(F)cc2)c1 ZINC000037276295 569782208 /nfs/dbraw/zinc/78/22/08/569782208.db2.gz NWOCSYSKBPMBNH-OFSOJUDTSA-N 1 0 488.647 6.157 50 0 JKAARO CCc1cccc2c([C@@H](CC(=O)N[C@H](C)CCC[NH+](CC)CC)c3ccc(OC)c(OC)c3)c[nH]c21 ZINC000037380241 569784807 /nfs/dbraw/zinc/78/48/07/569784807.db2.gz NYOVPJMALYCNGK-BWKNWUBXSA-N 1 0 493.692 5.896 50 0 JKAARO CCc1cccc2c([C@H](CC(=O)N[C@@H](C)CCC[NH+](CC)CC)c3ccc(OC)c(OC)c3)c[nH]c21 ZINC000037380238 569784892 /nfs/dbraw/zinc/78/48/92/569784892.db2.gz NYOVPJMALYCNGK-SQJMNOBHSA-N 1 0 493.692 5.896 50 0 JKAARO CCc1cccc2c([C@@H](CC(=O)NCC[NH+]3CCCC3)c3ccc(Cl)c(Cl)c3)c[nH]c21 ZINC000037380632 569784967 /nfs/dbraw/zinc/78/49/67/569784967.db2.gz DDRKIFZHWSNKGJ-FQEVSTJZSA-N 1 0 458.433 5.771 50 0 JKAARO CCc1cccc2c([C@H](CC(=O)NCC[NH+]3CCCC3)c3ccc(Cl)c(Cl)c3)c[nH]c21 ZINC000037380637 569785005 /nfs/dbraw/zinc/78/50/05/569785005.db2.gz DDRKIFZHWSNKGJ-HXUWFJFHSA-N 1 0 458.433 5.771 50 0 JKAARO CC[C@H](C(=O)NCC[NH+](C)C)N(c1nc(-c2ccc(F)cc2)cs1)c1ccc(Cl)cc1 ZINC000037438852 569790454 /nfs/dbraw/zinc/79/04/54/569790454.db2.gz ADNGCNVJONFIKC-OAQYLSRUSA-N 1 0 461.006 5.197 50 0 JKAARO COc1cccc([C@H]2C[N@H+](Cc3ccc(F)c(F)c3)C[C@@H]2CN(CC(C)C)C(=O)C(C)C)c1 ZINC000037523990 569792899 /nfs/dbraw/zinc/79/28/99/569792899.db2.gz LWLHMMLMCJRQTI-ISKFKSNPSA-N 1 0 458.593 5.330 50 0 JKAARO COc1ccc(N(C(=O)c2ccccc2OC)C2CC[NH+](Cc3ccccc3F)CC2)cc1OC ZINC000037559644 569795515 /nfs/dbraw/zinc/79/55/15/569795515.db2.gz UACAGHKFPIVCSI-UHFFFAOYSA-N 1 0 478.564 5.163 50 0 JKAARO COc1cc(C[NH+]2CCC(N(C(=O)c3ccc(C)cc3)c3cccc(C)c3)CC2)cc(OC)c1 ZINC000037560460 569795557 /nfs/dbraw/zinc/79/55/57/569795557.db2.gz IGAVDZRUYQEZFN-UHFFFAOYSA-N 1 0 458.602 5.632 50 0 JKAARO COc1ccc(C[NH+]2CCC(N(c3ccc(C)cc3)S(=O)(=O)c3cccc(C)c3)CC2)cc1 ZINC000037560549 569795574 /nfs/dbraw/zinc/79/55/74/569795574.db2.gz CGLPQMMKLHHKIS-UHFFFAOYSA-N 1 0 464.631 5.172 50 0 JKAARO COc1ccc(N(C(=O)c2ccccc2)C2CC[NH+](Cc3cc(OC)cc(OC)c3)CC2)cc1 ZINC000037560776 569795672 /nfs/dbraw/zinc/79/56/72/569795672.db2.gz HEOHFYRXRFJAAF-UHFFFAOYSA-N 1 0 460.574 5.024 50 0 JKAARO COc1cc(C[NH+]2CCC(N(C(=O)c3ccc(F)cc3)c3ccc(C)cc3)CC2)cc(OC)c1 ZINC000037560793 569795676 /nfs/dbraw/zinc/79/56/76/569795676.db2.gz PKOAYLGEWXUIQE-UHFFFAOYSA-N 1 0 462.565 5.463 50 0 JKAARO COc1ccccc1C[NH+]1CCC(N(C(=O)c2ccccc2OC)c2ccc(OC)c(OC)c2)CC1 ZINC000037560788 569795696 /nfs/dbraw/zinc/79/56/96/569795696.db2.gz JWPYWDHMGHJVLA-UHFFFAOYSA-N 1 0 490.600 5.032 50 0 JKAARO COc1cc(C[NH+]2CCC(N(C(=O)c3ccc(C)cc3)c3ccc(C)cc3)CC2)cc(OC)c1 ZINC000037570630 569795809 /nfs/dbraw/zinc/79/58/09/569795809.db2.gz KLOOEXFZVJQRMD-UHFFFAOYSA-N 1 0 458.602 5.632 50 0 JKAARO Cc1ccc(C[NH+]2CCC(N(c3ccc(F)cc3)S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000037572251 569795852 /nfs/dbraw/zinc/79/58/52/569795852.db2.gz UDNATPPSFFNIEW-UHFFFAOYSA-N 1 0 452.595 5.302 50 0 JKAARO CCc1ccc(N(C2CC[NH+](Cc3cccc(OC)c3)CC2)S(=O)(=O)c2ccccc2)cc1 ZINC000037588007 569796759 /nfs/dbraw/zinc/79/67/59/569796759.db2.gz FZLBSZHRTJBTSK-UHFFFAOYSA-N 1 0 464.631 5.118 50 0 JKAARO CC(C)(C)c1ccc(Cn2c(C(=O)NCC[NH+]3CCCC3)cc3sc(Br)cc32)cc1 ZINC000037587596 569796771 /nfs/dbraw/zinc/79/67/71/569796771.db2.gz HFEGMORAWJMRTQ-UHFFFAOYSA-N 1 0 488.495 5.637 50 0 JKAARO FC(F)Oc1ccc(/C=C2/CCCC3=C2[NH+]=C2N=CNN2[C@H]3c2ccc(OC(F)F)cc2)cc1 ZINC000038181328 569800253 /nfs/dbraw/zinc/80/02/53/569800253.db2.gz BLHWFBFPZNZLER-JQFUVSSDSA-N 1 0 472.442 5.670 50 0 JKAARO Clc1nc2c(cnn2-c2ccccc2)c(N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)n1 ZINC000038201247 569800782 /nfs/dbraw/zinc/80/07/82/569800782.db2.gz UZVCKFSOFKCOHE-UHFFFAOYSA-N 1 0 478.987 5.361 50 0 JKAARO CCc1cc([C@H](c2ccc(OC)c(OC)c2)[NH+]2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038545940 569802450 /nfs/dbraw/zinc/80/24/50/569802450.db2.gz LYGCBBHFRZSMQJ-QHCPKHFHSA-N 1 0 454.592 5.748 50 0 JKAARO O=C(Nc1sc2c(c1[C@@H](c1ccc3c(c1)OCO3)[NH+]1CCCCC1)CCCC2)c1ccco1 ZINC000038546138 569802687 /nfs/dbraw/zinc/80/26/87/569802687.db2.gz CQDGGJVJDVZXTQ-XMMPIXPASA-N 1 0 464.587 5.776 50 0 JKAARO COc1ccc([C@@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)[NH+]2CCC(C)CC2)cc1 ZINC000038546309 569802896 /nfs/dbraw/zinc/80/28/96/569802896.db2.gz QWYPWLQBFDKGIF-VWLOTQADSA-N 1 0 464.631 6.302 50 0 JKAARO CC1CC[NH+]([C@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)c2ccc(F)cc2)CC1 ZINC000038546315 569802968 /nfs/dbraw/zinc/80/29/68/569802968.db2.gz DHLZOYJIZGAZFU-DEOSSOPVSA-N 1 0 452.595 6.433 50 0 JKAARO COc1cccc([C@@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)[NH+]2CCC(C)CC2)c1OC ZINC000038546338 569802998 /nfs/dbraw/zinc/80/29/98/569802998.db2.gz RVNZCPZBPGSUFM-VWLOTQADSA-N 1 0 494.657 6.311 50 0 JKAARO CCc1cc([C@H](c2ccc(Cl)cc2)N2CC[NH+](CC)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546532 569803255 /nfs/dbraw/zinc/80/32/55/569803255.db2.gz VXRMTTLULZSSMB-QFIPXVFZSA-N 1 0 458.027 5.536 50 0 JKAARO CCc1cc([C@H](c2ccccc2Cl)N2CC[NH+](CC)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546536 569803259 /nfs/dbraw/zinc/80/32/59/569803259.db2.gz GRMHEYLTDIGXNW-QFIPXVFZSA-N 1 0 458.027 5.536 50 0 JKAARO CCc1cc([C@H](c2ccc(Cl)cc2Cl)N2CC[NH+](CC)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546560 569803334 /nfs/dbraw/zinc/80/33/34/569803334.db2.gz LBUVTAAJUCJMSA-QFIPXVFZSA-N 1 0 492.472 6.190 50 0 JKAARO CC[NH+]1CCN([C@@H](c2c3c(sc2NC(=O)c2ccco2)CCCC3)c2ccccc2OC)CC1 ZINC000038546572 569803365 /nfs/dbraw/zinc/80/33/65/569803365.db2.gz MGQGFUBPCRZNIT-RUZDIDTESA-N 1 0 479.646 5.208 50 0 JKAARO CC[NH+]1CCN([C@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)c2ccccc2F)CC1 ZINC000038546583 569803381 /nfs/dbraw/zinc/80/33/81/569803381.db2.gz DUPHZINDDKLWSV-DEOSSOPVSA-N 1 0 467.610 5.338 50 0 JKAARO CC[NH+]1CCN([C@H](c2c3c(sc2NC(=O)c2ccco2)CCCC3)c2ccc(SC)cc2)CC1 ZINC000038546594 569803421 /nfs/dbraw/zinc/80/34/21/569803421.db2.gz QLOMVVOAGWACPX-VWLOTQADSA-N 1 0 495.714 5.921 50 0 JKAARO COc1ccccc1[C@H](c1c(C)c(C)sc1NC(=O)c1cccs1)[NH+]1CCC(C)CC1 ZINC000038546707 569803564 /nfs/dbraw/zinc/80/35/64/569803564.db2.gz JLUSXTPWOUNHGW-HSZRJFAPSA-N 1 0 454.661 6.509 50 0 JKAARO O=C(Nc1sc2c(c1[C@@H](c1ccccc1)[NH+]1CCN(c3ccccc3)CC1)CCCC2)c1ccco1 ZINC000038546630 569803569 /nfs/dbraw/zinc/80/35/69/569803569.db2.gz VMCSGPDKXPNYNQ-MUUNZHRXSA-N 1 0 497.664 6.384 50 0 JKAARO CC[NH+]1CCN([C@@H](c2c(C)c(C)sc2NC(=O)c2cccs2)c2ccc(OC)cc2OC)CC1 ZINC000038546799 569803658 /nfs/dbraw/zinc/80/36/58/569803658.db2.gz AHEAMRYZEWESIX-XMMPIXPASA-N 1 0 499.702 5.423 50 0 JKAARO CC[NH+]1CCN([C@@H](c2c(C)c(C)sc2NC(=O)c2cccs2)c2ccc(C)cc2)CC1 ZINC000038546789 569803693 /nfs/dbraw/zinc/80/36/93/569803693.db2.gz ARCRHUFTKWTOTH-HSZRJFAPSA-N 1 0 453.677 5.714 50 0 JKAARO CC[NH+]1CCN([C@H](c2c(C)c(C)sc2NC(=O)c2cccs2)c2ccccc2Cl)CC1 ZINC000038546777 569803724 /nfs/dbraw/zinc/80/37/24/569803724.db2.gz BSCIVNXIPPTHIF-QFIPXVFZSA-N 1 0 474.095 6.059 50 0 JKAARO CC[NH+]1CCN([C@H](c2c(C)c(C)sc2NC(=O)c2cccs2)c2ccc(OC)c(OC)c2)CC1 ZINC000038546796 569803740 /nfs/dbraw/zinc/80/37/40/569803740.db2.gz YPINCPKIPYFPKL-DEOSSOPVSA-N 1 0 499.702 5.423 50 0 JKAARO CC[NH+]1CCN([C@H](c2c(C)c(C)sc2NC(=O)c2cccs2)c2ccccc2OC)CC1 ZINC000038546771 569803748 /nfs/dbraw/zinc/80/37/48/569803748.db2.gz UUCKSLIUHRGXNI-QHCPKHFHSA-N 1 0 469.676 5.414 50 0 JKAARO CCOc1ccc([C@@H](c2c(C)c(C)sc2NC(=O)c2cccs2)N2CC[NH+](CC)CC2)cc1 ZINC000038546790 569803755 /nfs/dbraw/zinc/80/37/55/569803755.db2.gz HPITVILQENLNPZ-DEOSSOPVSA-N 1 0 483.703 5.804 50 0 JKAARO CC[NH+]1CCN([C@@H](c2c(C)c(C)sc2NC(=O)c2cccs2)c2cccc(OC)c2OC)CC1 ZINC000038550552 569804985 /nfs/dbraw/zinc/80/49/85/569804985.db2.gz OEROBQJWJIQZJK-HSZRJFAPSA-N 1 0 499.702 5.423 50 0 JKAARO CC1(C)O[C@]2(CC[C@@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@@]32C)CN1C(=O)CSC1=[NH+]CCN1 ZINC000039210334 569809221 /nfs/dbraw/zinc/80/92/21/569809221.db2.gz FJIROWAKFHDSJC-RDVPWKDFSA-N 1 0 487.754 5.445 50 0 biogenic JKAARO Cc1[nH]nc(-c2ccc(OCC[NH+]3CCN(c4ccccc4)CC3)cc2O)c1-c1ccc(Cl)cc1 ZINC000039354381 569809356 /nfs/dbraw/zinc/80/93/56/569809356.db2.gz FTJHJYUYRXGQAF-UHFFFAOYSA-N 1 0 489.019 5.612 50 0 JKAARO CCN1c2ccccc2S/C1=C\C=C1/CCC(/C=C/c2sc3ccccc3[n+]2CC)=C1C ZINC000039440207 569809856 /nfs/dbraw/zinc/80/98/56/569809856.db2.gz VQDCGGQLUNAHCH-UHFFFAOYSA-N 1 0 457.688 7.732 50 0 JKAARO CC1(C)CC2=C(SC(=O)c3ccccc3[C@@H]2c2ccccc2F)N(C(=[NH2+])Nc2ccccc2)C1 ZINC000039929492 569812307 /nfs/dbraw/zinc/81/23/07/569812307.db2.gz CTRCFIJBCHDDGZ-XMMPIXPASA-N 1 0 471.601 6.835 50 0 JKAARO Cc1cc(Br)c(NC(=O)C[NH2+][C@@H](C)C23CC4CC(CC(C4)C2)C3)c(Br)c1 ZINC000040161488 569822769 /nfs/dbraw/zinc/82/27/69/569822769.db2.gz FYZDLOIYYLKIRR-JHMRYYBSSA-N 1 0 484.276 5.653 50 0 JKAARO COc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3N2CCN(c3cccc(C)c3)[C@H](C)C2)cc1 ZINC000103174624 569833619 /nfs/dbraw/zinc/83/36/19/569833619.db2.gz IRQMQBQGXMHIOB-HSZRJFAPSA-N 1 0 489.623 6.120 50 0 JKAARO Cc1ccc([C@@H]2C[N@@H+](Cc3cc(C)ccc3F)C[C@@H]2CN(C(=O)C(C)C)C2CCCCC2)cc1 ZINC000103208245 569833779 /nfs/dbraw/zinc/83/37/79/569833779.db2.gz SVELAAHXTNADKY-IAPPQJPRSA-N 1 0 464.669 6.475 50 0 JKAARO C[C@@H](C(=O)NCCC[N@H+]1[C@H](C)CCC[C@@H]1C)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000103653357 569836873 /nfs/dbraw/zinc/83/68/73/569836873.db2.gz LSIWKYXVFVLBMW-ZCNNSNEGSA-N 1 0 453.030 5.687 50 0 JKAARO C[NH+](C)[C@H](CNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1)c1ccco1 ZINC000041098019 569837715 /nfs/dbraw/zinc/83/77/15/569837715.db2.gz OQOAWOZDYJYZPC-JOCHJYFZSA-N 1 0 457.965 6.049 50 0 JKAARO C[C@H](CCc1ccc(-c2ccc(F)cc2F)cc1)C[NH+]1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000045068711 569839955 /nfs/dbraw/zinc/83/99/55/569839955.db2.gz MVDWRWMXTNICJG-OAQYLSRUSA-N 1 0 469.019 6.672 50 0 JKAARO Fc1ccc(-c2ccc(OCCCC[NH+]3CCN(Cc4ccc(Cl)cc4)CC3)cc2)c(F)c1 ZINC000045068836 569839964 /nfs/dbraw/zinc/83/99/64/569839964.db2.gz MHKGGIKTIKOLIE-UHFFFAOYSA-N 1 0 470.991 6.262 50 0 JKAARO C[C@@H](CCc1ccc(-c2ccc(F)cc2F)cc1)C[NH+]1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000045068707 569839967 /nfs/dbraw/zinc/83/99/67/569839967.db2.gz MVDWRWMXTNICJG-NRFANRHFSA-N 1 0 469.019 6.672 50 0 JKAARO O=C(Nc1ccccc1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](CCc3ccccc3)C[C@H]12 ZINC000104916639 569847115 /nfs/dbraw/zinc/84/71/15/569847115.db2.gz WVMBOVLKZUQLQJ-AOYPEHQESA-N 1 0 479.546 5.250 50 0 JKAARO O=C(NC1CCCCC1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@H]12 ZINC000104919475 569847191 /nfs/dbraw/zinc/84/71/91/569847191.db2.gz BBGGUECQDVGRJY-UKILVPOCSA-N 1 0 489.557 5.157 50 0 JKAARO O=C(Nc1ccc(F)cc1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](CCc3ccccc3)C[C@H]12 ZINC000104920865 569847526 /nfs/dbraw/zinc/84/75/26/569847526.db2.gz DPFNBUONIKTKMH-AZGAKELHSA-N 1 0 497.536 5.389 50 0 JKAARO CC(C)(C)OC[C@H](O)C[N@@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000104982928 569847925 /nfs/dbraw/zinc/84/79/25/569847925.db2.gz SWNZNXGTFRGEGF-WOJBJXKFSA-N 1 0 483.411 5.304 50 0 JKAARO O[C@@H](Cc1ccccc1)C[N@@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104982669 569847931 /nfs/dbraw/zinc/84/79/31/569847931.db2.gz PBULCHJEXISDOL-LOSJGSFVSA-N 1 0 452.957 5.078 50 0 JKAARO CC(C)(C)OC[C@H](O)C[N@@H+](Cc1ccccc1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000104983103 569847995 /nfs/dbraw/zinc/84/79/95/569847995.db2.gz KBTBSKVYDLDWMJ-WOJBJXKFSA-N 1 0 465.421 5.165 50 0 JKAARO CC(C)(C)OC[C@@H](O)C[N@@H+](Cc1cccc(F)c1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000104982637 569848090 /nfs/dbraw/zinc/84/80/90/569848090.db2.gz FXPCGERLWDQDSG-VQTJNVASSA-N 1 0 483.411 5.304 50 0 JKAARO CC(C)(C)OC[C@@H](O)C[N@@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2Cl)=NO1 ZINC000104983592 569848185 /nfs/dbraw/zinc/84/81/85/569848185.db2.gz PAGVNWUHZGQOLH-VQTJNVASSA-N 1 0 465.421 5.165 50 0 JKAARO O[C@@H](COCc1ccccc1)C[N@@H+](Cc1ccccc1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000104984401 569848397 /nfs/dbraw/zinc/84/83/97/569848397.db2.gz LQMVFZQJIHTYFU-DNQXCXABSA-N 1 0 499.438 5.566 50 0 JKAARO CC(C)(C)OC[C@@H](O)C[N@@H+](Cc1cccc(C(F)(F)F)c1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104984509 569848555 /nfs/dbraw/zinc/84/85/55/569848555.db2.gz CNSZBAYEQWELNK-FCHUYYIVSA-N 1 0 482.518 5.016 50 0 JKAARO COc1cccc([C@@H]2C[N@H+](Cc3ccc(F)c(F)c3)C[C@@H]2CN(CC(C)C)C(=O)C(C)C)c1 ZINC000105018853 569851167 /nfs/dbraw/zinc/85/11/67/569851167.db2.gz LWLHMMLMCJRQTI-VWNXMTODSA-N 1 0 458.593 5.330 50 0 JKAARO Cc1cccc(C[N@H+]2CCc3ccc(O[C@H](C)C(=O)NCc4ccccc4)cc3[C@@H]2c2ccccc2)c1 ZINC000105023122 569851420 /nfs/dbraw/zinc/85/14/20/569851420.db2.gz DREKGJYPYNMQQH-GOXGLGGOSA-N 1 0 490.647 6.226 50 0 JKAARO Cc1cccc(C[N@H+]2CCc3ccc(O[C@H](C)C(=O)NCCC(C)C)cc3[C@H]2c2ccccc2)c1 ZINC000105023100 569851439 /nfs/dbraw/zinc/85/14/39/569851439.db2.gz AYYONEXDWRYLLW-AYWVHJORSA-N 1 0 470.657 6.072 50 0 JKAARO Cc1cccc(C[N@H+]2CCc3ccc(O[C@H](C)C(=O)NCC4CC4)cc3[C@@H]2c2ccccc2)c1 ZINC000105034029 569851451 /nfs/dbraw/zinc/85/14/51/569851451.db2.gz WFKVJXIUNROEBO-MNNSJKJDSA-N 1 0 454.614 5.436 50 0 JKAARO Cc1ccc(C[N@H+]2C[C@H](CN(CC(C)C)C(=O)c3ccccc3)[C@@H](c3ccc(F)cc3)C2)s1 ZINC000105042504 569851837 /nfs/dbraw/zinc/85/18/37/569851837.db2.gz OKLDTVOHZCDFAM-SHQCIBLASA-N 1 0 464.650 6.210 50 0 JKAARO O=C(c1ccccc1)N(C[C@H]1C[N@@H+](Cc2ccco2)C[C@H]1c1cccc(F)c1)C1CCCCC1 ZINC000105042460 569851853 /nfs/dbraw/zinc/85/18/53/569851853.db2.gz NLHHWGCMZAFCKX-YWEHKCAJSA-N 1 0 460.593 6.109 50 0 JKAARO Fc1ccc(C2=NN3[C@@H](C2)c2ccccc2OC32CC[NH+]([C@@H]3CCCc4ccccc43)CC2)cc1 ZINC000051329975 569851866 /nfs/dbraw/zinc/85/18/66/569851866.db2.gz ZNNLMDBDJVWTJJ-IZLXSDGUSA-N 1 0 467.588 6.239 50 0 JKAARO COc1ccc([C@H]2C[N@H+](Cc3ccc(C)o3)C[C@@H]2CN(Cc2ccc(F)cc2)C(C)=O)cc1 ZINC000105042286 569851915 /nfs/dbraw/zinc/85/19/15/569851915.db2.gz MNDZOCBWUMLPHZ-YIXXDRMTSA-N 1 0 450.554 5.000 50 0 JKAARO Fc1ccc(C2=NN3[C@H](C2)c2ccccc2OC32CC[NH+]([C@@H]3CCCc4ccccc43)CC2)cc1 ZINC000105972747 569853569 /nfs/dbraw/zinc/85/35/69/569853569.db2.gz ZNNLMDBDJVWTJJ-VSGBNLITSA-N 1 0 467.588 6.239 50 0 JKAARO O=C(Nc1cccc(C[NH+]2CCSCC2)c1)c1cnn(-c2cccc(Cl)c2)c1C(F)(F)F ZINC000109484445 569860616 /nfs/dbraw/zinc/86/06/16/569860616.db2.gz DSBAEPYDULQLOA-UHFFFAOYSA-N 1 0 480.943 5.346 50 0 JKAARO O=[N+]1c2ccccc2N(O)[C@H](CSc2nc3ccccc3[nH]2)[C@@H]1CSc1nc2ccccc2[nH]1 ZINC000137318706 569864928 /nfs/dbraw/zinc/86/49/28/569864928.db2.gz RLKVZDXJNCDWMU-YADHBBJMSA-N 1 0 489.606 5.381 50 0 JKAARO CN1c2ccccc2C(C)(C)/C1=C\C=C\C=C1/CCC(/C=C/C2=[N+](C)c3ccccc3C2(C)C)=C1Cl ZINC000142497895 569867524 /nfs/dbraw/zinc/86/75/24/569867524.db2.gz LZRCXJKQDHXDAC-UHFFFAOYSA-N 1 0 496.118 8.330 50 0 JKAARO O[C@@H](COCc1ccccc1)C[N@@H+](Cc1ccccc1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000169677617 569868797 /nfs/dbraw/zinc/86/87/97/569868797.db2.gz LQMVFZQJIHTYFU-RPWUZVMVSA-N 1 0 499.438 5.566 50 0 JKAARO CC[C@H](C)[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C[C@@H](O)COC(C)C ZINC000169677846 569868983 /nfs/dbraw/zinc/86/89/83/569868983.db2.gz DHSMAQLGFKJTPZ-XUZZJYLKSA-N 1 0 481.637 5.368 50 0 JKAARO O=C(NCCc1cccs1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](C3CCCCC3)C[C@@H]12 ZINC000169678043 569869112 /nfs/dbraw/zinc/86/91/12/569869112.db2.gz NKILUCCJUQDYIG-UPVQGACJSA-N 1 0 491.623 5.121 50 0 JKAARO CC[C@H](C)[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@@H](O)c1ccccc1 ZINC000169678918 569869355 /nfs/dbraw/zinc/86/93/55/569869355.db2.gz YPELQNCDXLCPAD-WXVAWEFUSA-N 1 0 455.602 6.214 50 0 JKAARO CCCCCCC(=O)N1CCN(C(=O)CC[N@@H+]2CCc3sccc3[C@H]2c2ccccc2)C[C@@H]1C ZINC000169679471 569869755 /nfs/dbraw/zinc/86/97/55/569869755.db2.gz AEDVPEYTTPAATJ-RBISFHTESA-N 1 0 481.706 5.115 50 0 JKAARO CC[C@H](C)[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)C[C@@H](O)COC(C)(C)C ZINC000169680010 569870077 /nfs/dbraw/zinc/87/00/77/569870077.db2.gz DIUQGRGQPGNNAG-LADGPHEKSA-N 1 0 479.665 5.964 50 0 JKAARO CC[C@@H](C)[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)C[C@@H](O)COC(C)(C)C ZINC000169680072 569870155 /nfs/dbraw/zinc/87/01/55/569870155.db2.gz AAEIISIJRWFLFD-FYYLOGMGSA-N 1 0 495.664 5.665 50 0 JKAARO CC[C@H](C)[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C[C@@H](O)COC(C)C ZINC000169680116 569870222 /nfs/dbraw/zinc/87/02/22/569870222.db2.gz UXQBMNRUWIGLFA-XUZZJYLKSA-N 1 0 481.637 5.368 50 0 JKAARO CC[C@@H](C)[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C[C@@H](O)COC(C)C ZINC000169680114 569870262 /nfs/dbraw/zinc/87/02/62/569870262.db2.gz UXQBMNRUWIGLFA-ZJSXRUAMSA-N 1 0 481.637 5.368 50 0 JKAARO CC[C@H](C)[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)C[C@@H](O)COCC(C)C ZINC000169680283 569870279 /nfs/dbraw/zinc/87/02/79/569870279.db2.gz JGTMGNIYZMOICN-LADGPHEKSA-N 1 0 495.664 5.522 50 0 JKAARO CC[C@H](C)[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)C[C@@H](O)COC(C)(C)C ZINC000169680285 569870380 /nfs/dbraw/zinc/87/03/80/569870380.db2.gz DOHUMSFYLWEUNS-JTHBVZDNSA-N 1 0 495.664 5.665 50 0 JKAARO CCOC(=O)[C@@H]1CCCN(C(=O)[C@H]2CC[C@@H](c3ccccc3)[N@H+](Cc3cccc(Cl)c3)C2)C1 ZINC000169681542 569870769 /nfs/dbraw/zinc/87/07/69/569870769.db2.gz YJDWVSYNFLLGEO-ARNLJNQMSA-N 1 0 469.025 5.095 50 0 JKAARO Cc1c2cc3c(cc2oc(=O)c1CC(=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)occ3C(C)(C)C ZINC000170613390 569872885 /nfs/dbraw/zinc/87/28/85/569872885.db2.gz XZPWPQUJWAGMDW-MBSDFSHPSA-N 1 0 464.606 5.068 50 0 JKAARO Cc1c2occ(C(C)(C)C)c2cc2c(C)c(CC(=O)NC[C@H]3CCC[N@@H+]4CCCC[C@@H]34)c(=O)oc12 ZINC000170613434 569872890 /nfs/dbraw/zinc/87/28/90/569872890.db2.gz JIAANJPLIOZPLQ-DVECYGJZSA-N 1 0 478.633 5.377 50 0 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50 0 JKAARO CCC[C@H](O)C[N@H+](CCC(C)C)CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1 ZINC000245281437 570062348 /nfs/dbraw/zinc/06/23/48/570062348.db2.gz ZFNUUQNUIXILHA-WIOPSUGQSA-N 1 0 472.695 5.070 50 0 JKAARO CC(C)CN(C[C@@H]1C[N@H+](Cc2cccs2)C[C@H]1c1ccc(F)cc1)C(=O)c1ccccc1 ZINC000245326474 570064761 /nfs/dbraw/zinc/06/47/61/570064761.db2.gz FHTATPWBYQUTBD-OZXSUGGESA-N 1 0 450.623 5.901 50 0 JKAARO C[C@H]1CN(C(=O)CC[N@@H+]2CCc3sccc3[C@H]2c2ccccc2)CCN1C(=O)CCC1CCCC1 ZINC000245328443 570065992 /nfs/dbraw/zinc/06/59/92/570065992.db2.gz ONCAQLJPQJDOJT-PZGXJGMVSA-N 1 0 493.717 5.115 50 0 JKAARO C[C@H](c1ccccc1)N(Cc1nc(C(=O)NC[C@H]2CCCO2)co1)Cc1ccc(C(C)(C)C)cc1 ZINC000245329978 570066504 /nfs/dbraw/zinc/06/65/04/570066504.db2.gz VZANPVKPPBWVTL-PXDATVDWSA-N 1 0 475.633 5.644 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1CN(C[C@@H](O)COC(C)C)C[C@H]1CCCO1 ZINC000245330635 570066967 /nfs/dbraw/zinc/06/69/67/570066967.db2.gz ZSMGAMMDFUCIIM-XNMGPUDCSA-N 1 0 493.648 5.048 50 0 JKAARO COc1cccc([C@H]2C[N@H+](Cc3ccc(C)o3)C[C@H]2CN(C(=O)c2ccccc2)C2CCCCC2)c1 ZINC000248086517 570073697 /nfs/dbraw/zinc/07/36/97/570073697.db2.gz KMDUORYILZHPCS-FREGXXQWSA-N 1 0 486.656 6.287 50 0 JKAARO Cc1ccccc1[C@@H]1C[N@H+](Cc2ccc[nH]2)C[C@H]1CN(C(=O)c1ccccc1)C1CCCCC1 ZINC000248086120 570073804 /nfs/dbraw/zinc/07/38/04/570073804.db2.gz KUWZPYDMNUZOKM-ABYGYWHVSA-N 1 0 455.646 6.014 50 0 JKAARO Cc1ccccc1[C@H]1C[N@H+](Cc2ccccc2F)C[C@H]1CN(C(=O)c1ccccc1)C1CCCCC1 ZINC000248118619 570074461 /nfs/dbraw/zinc/07/44/61/570074461.db2.gz WKPVCXXRLAMWQM-FIBWVYCGSA-N 1 0 484.659 6.825 50 0 JKAARO Cc1ccccc1[C@@H]1C[N@H+](Cc2ccsc2)C[C@H]1CN(C(=O)c1ccccc1)C1CCCCC1 ZINC000248120885 570074476 /nfs/dbraw/zinc/07/44/76/570074476.db2.gz XRASHGBJFYUEFB-LITSAYRRSA-N 1 0 472.698 6.747 50 0 JKAARO COCCN(C[C@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2)C[C@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000248144585 570075344 /nfs/dbraw/zinc/07/53/44/570075344.db2.gz DHAGJVWJCBQOKF-QPPBQGQZSA-N 1 0 480.546 5.191 50 0 JKAARO CC(C)CN(C[C@H]1C[N@H+](Cc2ccc(F)c(F)c2)C[C@H]1c1ccc(F)cc1)C(=O)c1ccccc1 ZINC000248213643 570076334 /nfs/dbraw/zinc/07/63/34/570076334.db2.gz FJAFEBNWSSCYAB-RSXGOPAZSA-N 1 0 480.574 6.118 50 0 JKAARO Cc1ccsc1C[N@@H+]1C[C@@H](c2ccccc2)[C@@H](CN(CC(C)C)C(=O)c2ccc(C)cc2)C1 ZINC000248266584 570077309 /nfs/dbraw/zinc/07/73/09/570077309.db2.gz YAWPBOODTDOMLO-SXOMAYOGSA-N 1 0 460.687 6.379 50 0 JKAARO Cc1ccc(N2C(=O)[C@H]3[C@H](c4ccc(Br)cc4)[N@H+]4Cc5ccccc5C[C@H]4[C@H]3C2=O)cc1 ZINC000252383325 570079988 /nfs/dbraw/zinc/07/99/88/570079988.db2.gz IHCCNYSQNVISOB-LIONHTAISA-N 1 0 487.397 5.045 50 0 JKAARO CC1=C(C)[C@H]([NH2+]C[C@]2(C)CCC[C@]3(C)c4ccc(C(C)C)cc4CC[C@H]23)N(C[C@H]2CCCO2)C1=O ZINC000252444403 570080722 /nfs/dbraw/zinc/08/07/22/570080722.db2.gz SOKAJMCFNYVCHY-SOPSBNBFSA-N 1 0 478.721 6.094 50 0 JKAARO CC(=O)N(CC(C)C)C[C@@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2)C[C@H]1c1ccc(F)cc1 ZINC000253388921 570095486 /nfs/dbraw/zinc/09/54/86/570095486.db2.gz JXIPSSVBZUTZCA-URXFXBBRSA-N 1 0 450.520 5.565 50 0 JKAARO Cc1c2cc3c(cc2oc(=O)c1CC(=O)N(C)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)occ3-c1ccccc1 ZINC000253413079 570098103 /nfs/dbraw/zinc/09/81/03/570098103.db2.gz SYZONDRZOBVRRU-WXVAWEFUSA-N 1 0 498.623 5.780 50 0 biogenic JKAARO C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@@H](OC(=O)CC[N@@H+]5CCCC(C)(C)C5)CC[C@@]43C)[C@H]1CCC2=O ZINC000253501822 570102469 /nfs/dbraw/zinc/10/24/69/570102469.db2.gz ZRQKIWOCYULNCN-FPTUFGIQSA-N 1 0 455.683 5.942 50 0 JKAARO C[C@@H]1C[C@@H](C)C[NH+](CCC(=O)O[C@@H]2CC[C@@H]3[C@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@@H]4CC[C@]23C)C1 ZINC000253502250 570102627 /nfs/dbraw/zinc/10/26/27/570102627.db2.gz UZYZRISMGTUDCJ-HAWVYHSASA-N 1 0 457.699 5.878 50 0 JKAARO CC(=O)[C@@]1(O)[C@H](C)C[C@@H]2[C@@H]3CC=C4C[C@H](OC(=O)CC[NH+]5CCCCC5)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000253532698 570103210 /nfs/dbraw/zinc/10/32/10/570103210.db2.gz YFNPVWRSYRXVRN-RSWSFMATSA-N 1 0 485.709 5.303 50 0 JKAARO CC(C)c1ccc2c(c1)CC[C@H]1[C@@]2(C)CCC[C@]1(C)C[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000254716240 570106221 /nfs/dbraw/zinc/10/62/21/570106221.db2.gz YOOHGKDQFVKYOV-SXLOSVNLSA-N 1 0 481.724 8.189 50 0 JKAARO COc1cc2oc(=O)cc(-c3ccccc3)c2cc1CCC(=O)N(C)C[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000299754424 570174055 /nfs/dbraw/zinc/17/40/55/570174055.db2.gz MXNKWVJDTAMPEL-ZEQKJWHPSA-N 1 0 488.628 5.124 50 0 biogenic JKAARO COc1cc2oc(=O)cc(-c3ccccc3)c2cc1CCC(=O)N(C)C[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000299754422 570174066 /nfs/dbraw/zinc/17/40/66/570174066.db2.gz MXNKWVJDTAMPEL-BVAGGSTKSA-N 1 0 488.628 5.124 50 0 biogenic JKAARO Cc1nc(C(=O)N2CCC[C@H](COc3ccc(C[N@H+](C)CCc4ccccc4)cc3)C2)cs1 ZINC000299788379 570176863 /nfs/dbraw/zinc/17/68/63/570176863.db2.gz RECDDFZLNCGDOK-DEOSSOPVSA-N 1 0 463.647 5.057 50 0 JKAARO O=C1C2=C(C(c3ccccc3)=[NH+]CCN2)[C@@H](c2ccc(F)cc2)N1c1cccc(C(F)(F)F)c1 ZINC000001065259 194013734 /nfs/dbraw/zinc/01/37/34/194013734.db2.gz KQXGLJJFXPVKCC-XMMPIXPASA-N 1 0 465.450 5.279 50 0 JKAARO CCOc1ccc(N2C(=O)C3=C(C(c4ccc(Cl)cc4)=[NH+]CCN3)[C@H]2c2ccccc2F)cc1 ZINC000001404938 194115575 /nfs/dbraw/zinc/11/55/75/194115575.db2.gz CAIXLRXOUPEMTL-AREMUKBSSA-N 1 0 475.951 5.312 50 0 JKAARO CCOc1ccc(N2C(=O)C3=C(C(c4ccc(Cl)cc4)=[NH+]CCN3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000001404950 194115664 /nfs/dbraw/zinc/11/56/64/194115664.db2.gz ZGUFNQXQGYFNGV-MHZLTWQESA-N 1 0 487.987 5.182 50 0 JKAARO CC1(C)CC(NCC(=O)N2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC(C)(C)[NH2+]1 ZINC000001511715 194126748 /nfs/dbraw/zinc/12/67/48/194126748.db2.gz PBGHIUVYABAPHP-UHFFFAOYSA-N 1 0 463.569 5.734 50 0 JKAARO CC12CN(Cc3ccccc3Br)CC(C)(C[NH+](Cc3ccccc3Br)C1)C2 ZINC000001858889 194150479 /nfs/dbraw/zinc/15/04/79/194150479.db2.gz NQPHLCNIKLTMKW-UHFFFAOYSA-N 1 0 492.299 5.946 50 0 JKAARO Cc1cc2c(-c3ccccc3)c(-c3ccccc3)n(C[C@H](O)C[NH+]3CCCCCC3)c2c(C)c1 ZINC000001894950 194153466 /nfs/dbraw/zinc/15/34/66/194153466.db2.gz RPMJORSGDGHGSF-HHHXNRCGSA-N 1 0 452.642 6.829 50 0 JKAARO Cc1cc2c(-c3ccccc3)c(-c3ccccc3)n(C[C@@H](O)C[NH+]3CCCCCC3)c2c(C)c1 ZINC000001894952 194153506 /nfs/dbraw/zinc/15/35/06/194153506.db2.gz RPMJORSGDGHGSF-MHZLTWQESA-N 1 0 452.642 6.829 50 0 JKAARO CC(C)(C)c1cc(C[NH+](CCO)Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O ZINC000002023674 194156415 /nfs/dbraw/zinc/15/64/15/194156415.db2.gz RWYSAFLZRSOWFV-UHFFFAOYSA-N 1 0 497.764 7.282 50 0 JKAARO Cc1ccc(NC(=O)C2CC[NH+](Cc3cnn(-c4ccccc4)c3-n3cccc3)CC2)c(Cl)c1 ZINC000002960448 194181417 /nfs/dbraw/zinc/18/14/17/194181417.db2.gz CMQGNIUHXRYDSX-UHFFFAOYSA-N 1 0 474.008 5.476 50 0 JKAARO COc1ccc([C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)cc1CN1CCc2cc(OC)c(OC)cc2[C@@H]1C ZINC000002944617 194175879 /nfs/dbraw/zinc/17/58/79/194175879.db2.gz FAHCSUHPPAUHAJ-ADSBAMQRSA-N 1 0 497.639 5.548 50 0 biogenic JKAARO CCOc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3N[C@H](C)CCC[NH+](CC)CC)cc1 ZINC000002974790 194190460 /nfs/dbraw/zinc/19/04/60/194190460.db2.gz ULACZIVLMCFDNS-JOCHJYFZSA-N 1 0 471.649 6.409 50 0 JKAARO CCn1cc(CN(CCC[NH+](CC)CC)C(=S)Nc2cc(F)cc(F)c2)c2ccccc21 ZINC000003029372 194212458 /nfs/dbraw/zinc/21/24/58/194212458.db2.gz GTGDGYZXQVRYDJ-UHFFFAOYSA-N 1 0 458.622 5.870 50 0 JKAARO CCn1cc(CN(CCC[NH+](CC)CC)C(=S)Nc2c(C)cccc2C)c2ccccc21 ZINC000003029506 194212519 /nfs/dbraw/zinc/21/25/19/194212519.db2.gz HHXKPBFUCAYNGJ-UHFFFAOYSA-N 1 0 450.696 6.209 50 0 JKAARO CCC1=Nc2cc(C(=O)NCC[N@H+](Cc3ccccc3)C(C)C)ccc2Sc2ccc(C)cc21 ZINC000003036669 194214263 /nfs/dbraw/zinc/21/42/63/194214263.db2.gz LYSWMLHWVSNHPQ-UHFFFAOYSA-N 1 0 471.670 6.631 50 0 JKAARO CCOc1ccc(-c2nc3ccc(C(=O)NCCC[NH+](C)C)cc3nc2-c2ccc(OCC)cc2)cc1 ZINC000003040434 194215287 /nfs/dbraw/zinc/21/52/87/194215287.db2.gz KMUZUYGDCUZNPY-UHFFFAOYSA-N 1 0 498.627 5.443 50 0 JKAARO COc1ccc(Nc2cc(C(=O)NCCC[N@H+](C)Cc3ccccc3)c3ccccc3n2)c(OC)c1 ZINC000003057407 194221392 /nfs/dbraw/zinc/22/13/92/194221392.db2.gz RYRIIKVRGBLIKP-UHFFFAOYSA-N 1 0 484.600 5.248 50 0 JKAARO CC(C)C[NH+](CCNC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1)S2)CC(C)C ZINC000003063954 194222959 /nfs/dbraw/zinc/22/29/59/194222959.db2.gz CGYWZORPMGGWAP-OYKKKHCWSA-N 1 0 451.636 5.116 50 0 JKAARO COc1ccc(C[C@@H]2c3c(cc(OC)c(OCc4ccccc4)c3OC)CC[N@H+]2C)cc1OC ZINC000003124392 194228807 /nfs/dbraw/zinc/22/88/07/194228807.db2.gz KOPLJIMOJIHJFE-JOCHJYFZSA-N 1 0 463.574 5.072 50 0 JKAARO CCC(=O)c1c(-c2ccc(Br)cc2)nc2n(CC[NH+](CC)CC)c3ccccc3n12 ZINC000003154317 194232497 /nfs/dbraw/zinc/23/24/97/194232497.db2.gz ZZIAZBIMVFNSKW-UHFFFAOYSA-N 1 0 467.411 5.653 50 0 JKAARO CCOC(=O)c1c2cc(OC[C@@H](O)C[N@H+](C)Cc3ccccc3)ccc2oc1-c1ccccc1 ZINC000003253320 194252418 /nfs/dbraw/zinc/25/24/18/194252418.db2.gz XBSCYUWQHSORRO-QFIPXVFZSA-N 1 0 459.542 5.148 50 0 JKAARO Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)N[C@H](C)[C@@H](c3cccs3)[NH+]3CCCC3)cc12 ZINC000003265089 194256286 /nfs/dbraw/zinc/25/62/86/194256286.db2.gz MOBKIYYHKOUDGL-ZHRRBRCNSA-N 1 0 485.078 6.066 50 0 JKAARO Cc1nn(-c2ccccc2Cl)c2sc(C(=O)N[C@H](C)[C@@H](c3cccs3)[NH+]3CCCC3)cc12 ZINC000003265072 194256226 /nfs/dbraw/zinc/25/62/26/194256226.db2.gz QRDDWUOPKONADD-ZHRRBRCNSA-N 1 0 485.078 6.066 50 0 JKAARO COc1ccc([C@H](CNC(=O)c2oc3ccc(Br)cc3c2C)[NH+]2CCCCC2)cc1 ZINC000003347550 194294060 /nfs/dbraw/zinc/29/40/60/194294060.db2.gz JUJOIIRNEAIGDF-NRFANRHFSA-N 1 0 471.395 5.469 50 0 JKAARO CCOC(=O)c1c(NC(=O)[C@H]([NH2+]C2CCCCC2)c2ccccc2)sc2c1CC[C@H](C)C2 ZINC000003342448 194291270 /nfs/dbraw/zinc/29/12/70/194291270.db2.gz ITQYRERCWZDIJZ-GAJHUEQPSA-N 1 0 454.636 5.652 50 0 JKAARO O=C(NCC[NH+]1CCCCCC1)c1ccc2c(c1)NC(=O)/C(=C\c1ccccc1Cl)S2 ZINC000003589692 194339906 /nfs/dbraw/zinc/33/99/06/194339906.db2.gz RDSVSQIQTVEKQT-CJLVFECKSA-N 1 0 456.011 5.031 50 0 JKAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(COc4cccc(C(F)(F)F)c4)o2)N3)C1 ZINC000003634153 194345214 /nfs/dbraw/zinc/34/52/14/194345214.db2.gz IJRYCIXFVOIROC-HXUWFJFHSA-N 1 0 477.508 5.171 50 0 JKAARO Cc1ccc(C)c(CN2C(=O)CSc3ccc(C(=O)NC[C@@H](C)C[NH+]4CCC(C)CC4)cc32)c1 ZINC000003638755 194346545 /nfs/dbraw/zinc/34/65/45/194346545.db2.gz HESUDRNUKZOMJT-OAQYLSRUSA-N 1 0 479.690 5.040 50 0 JKAARO Cc1cccc2c1-c1sc(C(=O)NCCC[NH+]3CCN(c4cccc(Cl)c4)CC3)cc1CO2 ZINC000003645810 194348525 /nfs/dbraw/zinc/34/85/25/194348525.db2.gz DYGDEULCDTUUNH-UHFFFAOYSA-N 1 0 482.049 5.211 50 0 JKAARO COc1ccccc1Nc1c2cc(NC(=O)/C=C/c3ccc4c(c3)OCO4)ccc2[nH+]c2c1CCCC2 ZINC000003646165 194348574 /nfs/dbraw/zinc/34/85/74/194348574.db2.gz JRRPADZAWLQGSM-RVDMUPIBSA-N 1 0 493.563 6.246 50 0 JKAARO COc1ccccc1Nc1c2cc(NC(=O)c3ccc(N(C)C)cc3)ccc2[nH+]c2c1CCCC2 ZINC000003645775 194348597 /nfs/dbraw/zinc/34/85/97/194348597.db2.gz RUTVOKQMSDOCFG-UHFFFAOYSA-N 1 0 466.585 6.184 50 0 aggregator JKAARO COc1ccc(Nc2c3cc(NC(=O)/C=C/c4cccs4)ccc3[nH+]c3c2CCCC3)cc1OC ZINC000003646095 194348628 /nfs/dbraw/zinc/34/86/28/194348628.db2.gz MKIUPNGWDMIMHA-SDNWHVSQSA-N 1 0 485.609 6.588 50 0 JKAARO CCOc1cccc(/C=C/C(=O)Nc2ccc3[nH+]c4c(c(Nc5ccccc5OC)c3c2)CCCC4)c1 ZINC000003646171 194348700 /nfs/dbraw/zinc/34/87/00/194348700.db2.gz CDCYRNIVDMGNQL-OBGWFSINSA-N 1 0 493.607 6.916 50 0 JKAARO CCCCOc1cccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCC[NH+](C)C)c1 ZINC000003655672 194352319 /nfs/dbraw/zinc/35/23/19/194352319.db2.gz CNDRDIHAYFLHLD-RUZDIDTESA-N 1 0 462.590 5.086 50 0 JKAARO CCCCOc1cccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCC[NH+](C)C)c1 ZINC000003655671 194352353 /nfs/dbraw/zinc/35/23/53/194352353.db2.gz CNDRDIHAYFLHLD-VWLOTQADSA-N 1 0 462.590 5.086 50 0 JKAARO CCN1c2ccc(C)cc2SC1=CC1=CC(=Cc2c3ccccc3cc[n+]2CC)CC(C)(C)C1 ZINC000003656832 194353517 /nfs/dbraw/zinc/35/35/17/194353517.db2.gz OWCXIHZSUNKFFC-UHFFFAOYSA-N 1 0 467.702 7.994 50 0 JKAARO CC[NH+](CC)Cc1cccc(/C=C/c2nc3ccc(F)cc3c(=O)n2-c2ccccc2Cl)n1 ZINC000003828080 194361825 /nfs/dbraw/zinc/36/18/25/194361825.db2.gz HYHNPUGUPISSQO-FYWRMAATSA-N 1 0 462.956 5.585 50 0 in-vitro JKAARO CC(C)[C@H]1c2ccc(F)cc2CC[C@@]1(CC[N@H+](C)CCCc1nc2ccccc2[nH]1)OC(=O)C1CC1 ZINC000003942155 194367014 /nfs/dbraw/zinc/36/70/14/194367014.db2.gz VHHVPDKNKPNKHY-JDXGNMNLSA-N 1 0 491.651 6.035 50 0 in-vitro JKAARO O[C@@H](C[NH2+]C1CCCCC1)Cn1c2ccc(Br)cc2c2cc(Br)ccc21 ZINC000006445361 194426910 /nfs/dbraw/zinc/42/69/10/194426910.db2.gz KYRAOOTYQUJTIT-KRWDZBQOSA-N 1 0 480.244 5.603 50 0 JKAARO Cc1c(Cl)cccc1-n1ncc(C(=O)Nc2ccc(Br)cc2F)c1C1CC[NH2+]CC1 ZINC000008595237 194462581 /nfs/dbraw/zinc/46/25/81/194462581.db2.gz KGSQTZAKNPRDQF-UHFFFAOYSA-N 1 0 491.792 5.455 50 0 JKAARO COc1ccc(Nc2c3cc(NC(=O)c4ccc(F)cc4)ccc3[nH+]c3c2CCCC3)cc1OC ZINC000008599966 194466348 /nfs/dbraw/zinc/46/63/48/194466348.db2.gz YIQROFAAUFAIKR-UHFFFAOYSA-N 1 0 471.532 6.266 50 0 JKAARO COc1ccc(C2(C[N@H+](C)CC[C@H](c3ccccc3)c3ccccc3O)CCCC2)cc1OC ZINC000009041716 194508724 /nfs/dbraw/zinc/50/87/24/194508724.db2.gz AWGOZTQYTOGBDK-RUZDIDTESA-N 1 0 459.630 6.375 50 0 JKAARO CCCC[NH+](CCCC)CCCNC(=O)c1ccc(C[S@](=O)c2cccc(Cl)c2)o1 ZINC000009115443 194534918 /nfs/dbraw/zinc/53/49/18/194534918.db2.gz SFXUGVQUECFFSB-SSEXGKCCSA-N 1 0 453.048 5.263 50 0 JKAARO O=C(NCCC[NH+]1CCC(Cc2ccccc2)CC1)C1=Cc2sc3c(c2CS1)CCCC3 ZINC000009211391 194599724 /nfs/dbraw/zinc/59/97/24/194599724.db2.gz LZIRXDAEJBKXIV-UHFFFAOYSA-N 1 0 466.716 5.676 50 0 JKAARO Cc1nn(-c2cccc(Cl)c2C)c2nc(C)cc(C(=O)NCCC[N@@H+](C)C3CCCCC3)c12 ZINC000009266296 194648905 /nfs/dbraw/zinc/64/89/05/194648905.db2.gz VGOLBLFWGHFEFH-UHFFFAOYSA-N 1 0 468.045 5.384 50 0 JKAARO COc1ccc(C2=NN3[C@H](C2)c2ccccc2OC32CC[NH+](Cc3ccccc3)CC2)c(OC)c1 ZINC000009272097 194650763 /nfs/dbraw/zinc/65/07/63/194650763.db2.gz BDONBCDVWUSJHH-AREMUKBSSA-N 1 0 469.585 5.240 50 0 JKAARO CCc1ccc(-c2cn3c4ccc(C(=O)NCCC[N@H+]5C[C@H](C)C[C@H](C)C5)cc4sc3n2)cc1 ZINC000009406481 194746959 /nfs/dbraw/zinc/74/69/59/194746959.db2.gz HICUUMXEEBIMAJ-BGYRXZFFSA-N 1 0 474.674 5.876 50 0 JKAARO Cc1cc(NC(=O)c2ccc(C[NH+]3CCC(C(=O)N4CCCCCC4)CC3)cc2)ccc1Cl ZINC000009416794 194762991 /nfs/dbraw/zinc/76/29/91/194762991.db2.gz QALLBXVAJPNYIU-UHFFFAOYSA-N 1 0 468.041 5.515 50 0 JKAARO Cc1cc2c(-c3ccccc3)c(-c3ccccc3)n(C[C@H](O)C[NH2+]C[C@@H]3CCCO3)c2c(C)c1 ZINC000009601963 194804803 /nfs/dbraw/zinc/80/48/03/194804803.db2.gz GIZJJZDVTCIDDL-FTJBHMTQSA-N 1 0 454.614 5.722 50 0 JKAARO Cc1cccc(C[NH+]2CCC(CNC(=O)c3cc4c(s3)c3cc(C)ccc3oc4=O)CC2)c1 ZINC000009611186 194815690 /nfs/dbraw/zinc/81/56/90/194815690.db2.gz MIIGRNRJNNINII-UHFFFAOYSA-N 1 0 460.599 5.267 50 0 JKAARO CCCC1=Nc2cc(C(=O)NCC[NH+](CC(C)C)CC(C)C)ccc2Sc2ccccc21 ZINC000009608013 194809758 /nfs/dbraw/zinc/80/97/58/194809758.db2.gz BIHBQQNGNNSWBX-UHFFFAOYSA-N 1 0 451.680 6.416 50 0 JKAARO Cc1ccc(-c2nnc(-c3ccc(C(=O)NCc4ccccc4C[NH+]4CCCC4)cc3)o2)cc1 ZINC000009714101 194909857 /nfs/dbraw/zinc/90/98/57/194909857.db2.gz HTXQRNVSYLUGAN-UHFFFAOYSA-N 1 0 452.558 5.238 50 0 JKAARO Cc1ccc(Nc2ncc(C(=O)NCCC[NH+]3C[C@H](C)C[C@@H](C)C3)c3ccccc32)cc1Cl ZINC000009776783 194955043 /nfs/dbraw/zinc/95/50/43/194955043.db2.gz TVVFOWLFMNOKAO-RTBURBONSA-N 1 0 465.041 6.038 50 0 JKAARO O=C(C1CC[NH+](Cc2cccc(OCc3ccccc3)c2)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000009805778 194971646 /nfs/dbraw/zinc/97/16/46/194971646.db2.gz BVVLMHJGGFXKPT-UHFFFAOYSA-N 1 0 482.668 5.959 50 0 JKAARO CC[C@H](C)[N@H+](CCNC(=O)[C@@H]1CCCN(c2nc3c(cc(C)cc3C)s2)C1)C1CCCCC1 ZINC000009848399 194992437 /nfs/dbraw/zinc/99/24/37/194992437.db2.gz QQYBNTUZNUHRSS-FCHUYYIVSA-N 1 0 470.727 5.679 50 0 JKAARO COc1cc(C[N@@H+]2CCC[C@@H](C(=O)N(C)Cc3ccccc3)C2)ccc1OCc1ccccc1 ZINC000009933452 195025313 /nfs/dbraw/zinc/02/53/13/195025313.db2.gz UHRNIJLAKBMBGU-AREMUKBSSA-N 1 0 458.602 5.145 50 0 JKAARO COc1cc(C[N@@H+]2CCC[C@H](C(=O)N3CCc4ccccc4C3)C2)ccc1OCc1ccccc1 ZINC000009933457 195025378 /nfs/dbraw/zinc/02/53/78/195025378.db2.gz HFDOZWGTNPWQKV-MHZLTWQESA-N 1 0 470.613 5.071 50 0 JKAARO Cc1nn(-c2cccc(C(F)(F)F)c2)c2sc(C(=O)NC3CC[NH+](C(C)C)CC3)cc12 ZINC000009884886 195014232 /nfs/dbraw/zinc/01/42/32/195014232.db2.gz KMAVYKHHKRMVPI-UHFFFAOYSA-N 1 0 450.530 5.017 50 0 JKAARO CC(C)n1c(C[NH+]2CCCCCC2)nc2cc(NC(=O)COc3ccc(Cl)cc3)ccc21 ZINC000009942810 195030228 /nfs/dbraw/zinc/03/02/28/195030228.db2.gz UCAFJRVMJUTURS-UHFFFAOYSA-N 1 0 455.002 5.664 50 0 JKAARO CCCCCCOc1ccc(N2C(=O)C[C@@H](N3CCC(CC[NH+]4CCC(C)CC4)CC3)C2=O)cc1 ZINC000009933880 195025996 /nfs/dbraw/zinc/02/59/96/195025996.db2.gz UZOSVQBRMOEBOE-HHHXNRCGSA-N 1 0 483.697 5.112 50 0 JKAARO CC(C)C[NH+](CC(C)C)C[C@H](O)CN(c1ccccc1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000009968838 195041766 /nfs/dbraw/zinc/04/17/66/195041766.db2.gz FOJPZCWYJLWHLP-SANMLTNESA-N 1 0 468.663 5.010 50 0 JKAARO COc1cccc(-c2ccccc2NC(=O)C2CC[NH+](Cc3ccc4ccccc4c3)CC2)c1 ZINC000012595803 195043447 /nfs/dbraw/zinc/04/34/47/195043447.db2.gz BRUSAYAWTRPTEN-UHFFFAOYSA-N 1 0 450.582 6.366 50 0 JKAARO Cc1c(NC(=O)[C@@H](C)[NH2+][C@@H](CCCc2ccccc2)c2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000012667786 195081898 /nfs/dbraw/zinc/08/18/98/195081898.db2.gz HFKSPCKNAULQJS-AMGIVPHBSA-N 1 0 482.628 5.165 50 0 JKAARO COc1cccc([C@@H](CNc2nc(CN3CCC(C)CC3)nc3sc4c(c32)CCC4)[NH+](C)C)c1 ZINC000012689995 195087933 /nfs/dbraw/zinc/08/79/33/195087933.db2.gz VMGJYUVBOXYHOS-JOCHJYFZSA-N 1 0 479.694 5.135 50 0 JKAARO C[C@H](NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1nc2scc(-c3cccs3)c2c(=O)[nH]1 ZINC000012748869 195103970 /nfs/dbraw/zinc/10/39/70/195103970.db2.gz BJTDWZWGNMCPGP-HNNXBMFYSA-N 1 0 485.078 5.682 50 0 JKAARO O=C(CCCCCNc1[nH]c(=S)nc2ccccc21)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000020646128 195194847 /nfs/dbraw/zinc/19/48/47/195194847.db2.gz QDBHKIGUHCZJPO-UHFFFAOYSA-N 1 0 463.651 5.045 50 0 JKAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)C1CCC(CNc2[nH]c(=S)nc3ccccc32)CC1 ZINC000020646093 195194862 /nfs/dbraw/zinc/19/48/62/195194862.db2.gz RCKBSIRIZXIXKO-UHFFFAOYSA-N 1 0 489.689 5.291 50 0 JKAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1ccccc1Cl)S2 ZINC000020735115 195212496 /nfs/dbraw/zinc/21/24/96/195212496.db2.gz SCGQAEBQQWHFEY-PZBNQXIHSA-N 1 0 456.011 5.030 50 0 JKAARO CCCn1c(CN2CC[NH+](CC)CC2)nc2cc(NC(=O)c3ccc(C(C)(C)C)cc3)ccc21 ZINC000020678210 195203022 /nfs/dbraw/zinc/20/30/22/195203022.db2.gz RCRUTEFNFWCBNH-UHFFFAOYSA-N 1 0 461.654 5.134 50 0 JKAARO CCC[NH+](CCC)CCCNC(=O)c1cc(-c2ccc(OC)cc2)nc2ccc(C(C)C)cc21 ZINC000020683106 195204460 /nfs/dbraw/zinc/20/44/60/195204460.db2.gz GFGQDJLNAHSQFC-UHFFFAOYSA-N 1 0 461.650 6.276 50 0 JKAARO CC1=Nc2cc(C(=O)NCCC[N@H+](Cc3ccccc3)C(C)C)ccc2Sc2ccc(Cl)cc21 ZINC000020726964 195208172 /nfs/dbraw/zinc/20/81/72/195208172.db2.gz YAUYYGKWDDZFSQ-UHFFFAOYSA-N 1 0 492.088 6.976 50 0 JKAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(/C=C2/Oc3ccccc3N(Cc3ccc(C)cc3)C2=O)cc1 ZINC000020732127 195210834 /nfs/dbraw/zinc/21/08/34/195210834.db2.gz QUOGUIFMBKIKFE-DYIFSOBNSA-N 1 0 495.623 5.176 50 0 JKAARO Cc1ccccc1NC(=S)N(CCC[NH+]1CCCC1)Cc1cccn1Cc1ccc(Cl)cc1 ZINC000020733473 195211485 /nfs/dbraw/zinc/21/14/85/195211485.db2.gz XWGJFSBDGXAMGJ-UHFFFAOYSA-N 1 0 481.109 6.183 50 0 JKAARO CCCC[N@H+](CCC)CCCNC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1cccc(Cl)c1)S2 ZINC000020735015 195212100 /nfs/dbraw/zinc/21/21/00/195212100.db2.gz AOQHVGPCFWTGFH-JJIBRWJFSA-N 1 0 486.081 6.057 50 0 JKAARO CCCC[N@H+](CC)CCCNC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1ccccc1F)S2 ZINC000020734611 195212191 /nfs/dbraw/zinc/21/21/91/195212191.db2.gz SFKGIPDYIVKCBB-HAVVHWLPSA-N 1 0 455.599 5.153 50 0 JKAARO CCC(C)(C)c1ccc(OC[C@H](O)C[NH+]2CCN(c3ccccc3)CC2)c(C(C)(C)CC)c1 ZINC000020807369 195228575 /nfs/dbraw/zinc/22/85/75/195228575.db2.gz RELFMXVEHMESRO-RUZDIDTESA-N 1 0 452.683 5.624 50 0 JKAARO c1ccc(C(c2ccccc2)N2CC[NH+](CCCCCCOc3cccc4ccccc43)CC2)cc1 ZINC000020841537 195230101 /nfs/dbraw/zinc/23/01/01/195230101.db2.gz GTXLEQXLCSRJIY-UHFFFAOYSA-N 1 0 478.680 7.186 50 0 JKAARO CCOc1ccc(-c2nc(CSCC(=O)NC3CC[NH+](Cc4ccccc4)CC3)c(C)o2)cc1 ZINC000020737135 195213698 /nfs/dbraw/zinc/21/36/98/195213698.db2.gz QACZEAAKLGDQLI-UHFFFAOYSA-N 1 0 479.646 5.063 50 0 JKAARO O=C(CN1CC[NH+](C2c3ccccc3-c3ccccc32)CC1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000020766650 195222157 /nfs/dbraw/zinc/22/21/57/195222157.db2.gz HCYVGLMMDIKAPS-UHFFFAOYSA-N 1 0 485.937 5.685 50 0 JKAARO O=C(CN1CC[NH+](C2c3ccccc3-c3ccccc32)CC1)Nc1cccc(C(F)(F)F)c1 ZINC000020766730 195222185 /nfs/dbraw/zinc/22/21/85/195222185.db2.gz KHBBZCLQZUONGO-UHFFFAOYSA-N 1 0 451.492 5.032 50 0 JKAARO O=C(CN1CC[NH+](C2c3ccccc3-c3ccccc32)CC1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000020766677 195222201 /nfs/dbraw/zinc/22/22/01/195222201.db2.gz ZGTDILMYOSOWIH-UHFFFAOYSA-N 1 0 485.937 5.685 50 0 JKAARO CCOc1cc(C[N@@H+]2CCC[C@@H](c3nc(-c4ccncc4)ncc3-c3ccccc3)C2)ccc1OC ZINC000020778860 195224095 /nfs/dbraw/zinc/22/40/95/195224095.db2.gz UKJAHWDQKHJYSV-RUZDIDTESA-N 1 0 480.612 5.993 50 0 JKAARO Cc1ccccc1-c1cnc(-c2ccncc2)nc1[C@@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000020784030 195225045 /nfs/dbraw/zinc/22/50/45/195225045.db2.gz JMGNWAWVAOAAEZ-JOCHJYFZSA-N 1 0 456.540 6.172 50 0 JKAARO C[C@@H]1CCCC[N@@H+]1CCCN1C(=O)c2cc3ccccc3n2C[C@@]1(C)C(=O)NC1CCCCCCC1 ZINC000020903407 195243335 /nfs/dbraw/zinc/24/33/35/195243335.db2.gz DFEIGPYKUBWJKA-DJUQAAIZSA-N 1 0 492.708 5.349 50 0 JKAARO CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NCC[N@H+](C)C2CCCCC2)[C@H]1c1cccs1 ZINC000020904418 195244546 /nfs/dbraw/zinc/24/45/46/195244546.db2.gz SYNPLCDQLKANTH-JWQCQUIFSA-N 1 0 467.679 5.066 50 0 JKAARO CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)[C@@H]1c1cccs1 ZINC000020904447 195244660 /nfs/dbraw/zinc/24/46/60/195244660.db2.gz DHCHYCBEEYGKTM-OPXMRZJTSA-N 1 0 467.679 5.066 50 0 JKAARO Cc1c(Cl)cccc1-n1ncc(C(=O)Nc2cccc(C(F)(F)F)c2)c1C1CC[NH2+]CC1 ZINC000020941314 195255536 /nfs/dbraw/zinc/25/55/36/195255536.db2.gz GADCQTWULTYGDW-UHFFFAOYSA-N 1 0 462.903 5.572 50 0 JKAARO Fc1ccccc1[C@H](NCC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1nnc(-c2ccccc2)o1 ZINC000020988809 195261434 /nfs/dbraw/zinc/26/14/34/195261434.db2.gz BQHBVFIXQYUKKP-SANMLTNESA-N 1 0 491.010 6.120 50 0 JKAARO Fc1ccccc1[C@@H](NCC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1nnc(-c2ccccc2)o1 ZINC000020988806 195261559 /nfs/dbraw/zinc/26/15/59/195261559.db2.gz BQHBVFIXQYUKKP-AREMUKBSSA-N 1 0 491.010 6.120 50 0 JKAARO CC(C)NC(=O)[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C(F)(F)F)CN1Cc1ccc2ccccc2c1 ZINC000020995584 195264168 /nfs/dbraw/zinc/26/41/68/195264168.db2.gz WHNLRKZRSBCYOZ-NOZRDPDXSA-N 1 0 469.551 5.116 50 0 JKAARO O=c1c2c(ncn1CCCc1ccccc1)sc1c2CC[C@@H]([NH2+]Cc2cc(F)c(F)c(F)c2)C1 ZINC000020999146 195265371 /nfs/dbraw/zinc/26/53/71/195265371.db2.gz RXJBMMZMWAIDCN-GOSISDBHSA-N 1 0 483.559 5.155 50 0 JKAARO Cc1ccc(C[N@H+]2CCc3nnc([C@H](CC(C)C)NC(=O)c4cc(C)cc(C)c4)n3CC2)c(C)c1 ZINC000020999849 195265715 /nfs/dbraw/zinc/26/57/15/195265715.db2.gz JIKNNSLLYDACMS-SANMLTNESA-N 1 0 473.665 5.087 50 0 JKAARO CCc1c(C)sc2c1CC[N@H+](Cc1nc(-c3ccccc3Cl)oc1C)[C@H]2c1ccccc1 ZINC000021045865 195271699 /nfs/dbraw/zinc/27/16/99/195271699.db2.gz UGJPOEOPNQSOTG-VWLOTQADSA-N 1 0 463.046 7.383 50 0 JKAARO Cc1nn(-c2ccccc2)c2sc(C(=O)NCC3CC[NH+](Cc4cccc(C)c4)CC3)cc12 ZINC000021103617 195276896 /nfs/dbraw/zinc/27/68/96/195276896.db2.gz IMEFEBMKJJREEM-UHFFFAOYSA-N 1 0 458.631 5.346 50 0 JKAARO Cc1nn(-c2ccccc2)c2sc(C(=O)NCC3CC[NH+](Cc4ccc(C)cc4)CC3)cc12 ZINC000021103625 195276905 /nfs/dbraw/zinc/27/69/05/195276905.db2.gz HNUJRFPOXXBZGN-UHFFFAOYSA-N 1 0 458.631 5.346 50 0 JKAARO COc1ccc(CNC(=O)C2CC[NH+](Cc3cc4ccccc4n3Cc3ccc(C)cc3)CC2)cc1 ZINC000021116218 195278338 /nfs/dbraw/zinc/27/83/38/195278338.db2.gz PABXOSJRXGLARK-UHFFFAOYSA-N 1 0 481.640 5.535 50 0 JKAARO Cc1ccc(Cn2c(C[NH+]3CCC(C(=O)NCc4ccccc4Cl)CC3)cc3ccccc32)cc1 ZINC000021116189 195278443 /nfs/dbraw/zinc/27/84/43/195278443.db2.gz QMCLWSXQRVHFKG-UHFFFAOYSA-N 1 0 486.059 6.180 50 0 JKAARO Cc1ccc(Cn2c(C[NH+]3CCC(C(=O)NCc4cccc(F)c4)CC3)cc3ccccc32)cc1 ZINC000021116354 195278768 /nfs/dbraw/zinc/27/87/68/195278768.db2.gz VIENIODDEZLRGF-UHFFFAOYSA-N 1 0 469.604 5.666 50 0 JKAARO Cc1ccc(Cn2c(C[NH+]3CCC(C(=O)NCc4ccccc4F)CC3)cc3ccccc32)cc1 ZINC000021116331 195278845 /nfs/dbraw/zinc/27/88/45/195278845.db2.gz CMIPSCXFQNGWFY-UHFFFAOYSA-N 1 0 469.604 5.666 50 0 JKAARO Cc1ccc(Cn2c(C[NH+]3CCC(C(=O)NCc4ccc5c(c4)OCO5)CC3)cc3ccccc32)cc1 ZINC000021116232 195278862 /nfs/dbraw/zinc/27/88/62/195278862.db2.gz NDNOKNGMQHVQRP-UHFFFAOYSA-N 1 0 495.623 5.255 50 0 JKAARO CSc1ccc(CNC(=O)C2CC[NH+](Cc3cc4ccccc4n3Cc3ccc(C)cc3)CC2)cc1 ZINC000021116340 195278869 /nfs/dbraw/zinc/27/88/69/195278869.db2.gz JOLJUNABQLNXRU-UHFFFAOYSA-N 1 0 497.708 6.248 50 0 JKAARO Cc1ccc(Cn2c(C[NH+]3CCC(C(=O)NCc4cccc(C)c4)CC3)cc3ccccc32)cc1 ZINC000021116252 195278899 /nfs/dbraw/zinc/27/88/99/195278899.db2.gz VITACKMCSRPZIV-UHFFFAOYSA-N 1 0 465.641 5.835 50 0 JKAARO Cc1ccccc1CSCc1ccc(C(=O)Nc2ccc(CCc3nc4ccccc4[nH]3)cc2)o1 ZINC000021152212 195283258 /nfs/dbraw/zinc/28/32/58/195283258.db2.gz ZHCRCGMBEYXYMH-UHFFFAOYSA-N 1 0 481.621 6.935 50 0 JKAARO Cc1oc(-c2cccc(Br)c2)nc1C[NH+]1CCC(C(=O)N[C@H](C)c2ccccc2)CC1 ZINC000021367888 195300203 /nfs/dbraw/zinc/30/02/03/195300203.db2.gz JQMGGLGODGGJOE-QGZVFWFLSA-N 1 0 482.422 5.502 50 0 JKAARO Cc1oc(-c2cccc(Cl)c2)nc1C[NH+]1CCC(C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)CC1 ZINC000021367910 195300225 /nfs/dbraw/zinc/30/02/25/195300225.db2.gz ITSUGJFDVXVSGW-QGZVFWFLSA-N 1 0 496.007 5.164 50 0 JKAARO CCCC[N@H+](CC)CCN1C(=O)c2cc3sc(CC)cc3n2C[C@]1(C)C(=O)NC1CCCCC1 ZINC000021526068 195304879 /nfs/dbraw/zinc/30/48/79/195304879.db2.gz GAFAEVSIPHYJRN-HHHXNRCGSA-N 1 0 486.726 5.051 50 0 JKAARO CCC[NH+](CCC)CCCN1C(=O)c2cc3oc(C)cc3n2C[C@]1(C)C(=O)NC1CCCCCC1 ZINC000021526889 195305526 /nfs/dbraw/zinc/30/55/26/195305526.db2.gz COLNUTAVPCPEIV-MUUNZHRXSA-N 1 0 484.685 5.108 50 0 JKAARO CCC[NH+](CCC)CCCN1C(=O)c2cc3oc(C)cc3n2C[C@@]1(C)C(=O)NC1CCCCCC1 ZINC000021526886 195305534 /nfs/dbraw/zinc/30/55/34/195305534.db2.gz COLNUTAVPCPEIV-NDEPHWFRSA-N 1 0 484.685 5.108 50 0 JKAARO COc1ccc([C@@H](CNC(=O)c2ccccc2SCc2ccsc2)[NH+]2CCCC2)cc1 ZINC000021912111 195330311 /nfs/dbraw/zinc/33/03/11/195330311.db2.gz WULCFCUAGHKQPO-HSZRJFAPSA-N 1 0 452.645 5.616 50 0 JKAARO COc1ccc([C@H](CNC(=O)c2ccccc2SCc2ccsc2)[NH+]2CCCC2)cc1 ZINC000021912115 195330397 /nfs/dbraw/zinc/33/03/97/195330397.db2.gz WULCFCUAGHKQPO-QHCPKHFHSA-N 1 0 452.645 5.616 50 0 JKAARO Cc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)c3c4c(nc5ccccc53)C(=O)N(C3CCCCC3)C4)C2)cc1 ZINC000021915488 195332017 /nfs/dbraw/zinc/33/20/17/195332017.db2.gz RSVDXUBXXIFWEV-QHCPKHFHSA-N 1 0 496.655 5.084 50 0 JKAARO Cc1ccc2nc(-c3cccnc3)cc(C(=O)NCCC[NH+]3CCC(Cc4ccccc4)CC3)c2c1 ZINC000021934804 195335780 /nfs/dbraw/zinc/33/57/80/195335780.db2.gz KOZLUSUMTIZQLG-UHFFFAOYSA-N 1 0 478.640 5.680 50 0 JKAARO C[N@H+](CCCNC(=O)c1cc(-c2cccnc2)nc2ccc(Br)cc21)Cc1ccccc1 ZINC000021935007 195336255 /nfs/dbraw/zinc/33/62/55/195336255.db2.gz BANQAJYPPZFKGY-UHFFFAOYSA-N 1 0 489.417 5.311 50 0 JKAARO CCOC(=O)c1c(C)c2cc(OC)ccc2n1CC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000058171872 195371014 /nfs/dbraw/zinc/37/10/14/195371014.db2.gz ABNNGBNNSDMVIU-UHFFFAOYSA-N 1 0 456.586 5.837 50 0 JKAARO CCCCOc1ccc([C@@](C)(O)[C@H](C[NH+]2CCN(c3ccc(F)cc3)CC2)c2ccccc2)cc1 ZINC000058480189 195380300 /nfs/dbraw/zinc/38/03/00/195380300.db2.gz LYPBMNMXFVRGJH-LOYHVIPDSA-N 1 0 476.636 5.818 50 0 JKAARO CC1=C2C[C@@H]3[C@H](C[NH+]4CCN(c5ccc(Cl)c(Cl)c5)CC4)C(=O)O[C@@H]3C[C@@]2(C)CCC1 ZINC000059415277 195399441 /nfs/dbraw/zinc/39/94/41/195399441.db2.gz UNILYICFDBVZCR-AAYSFUBESA-N 1 0 463.449 5.574 50 0 biogenic JKAARO COc1ccc(OC2CC[NH+](CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000096027874 129954449 /nfs/dbraw/zinc/95/44/49/129954449.db2.gz SMRDALKHEPBDPL-UHFFFAOYSA-N 1 0 451.557 6.429 50 0 JKAARO COc1ccc(CCNC(=O)[C@H]2C[C@@H](c3ccc(F)c(C)c3)C[N@H+](Cc3ccccc3Cl)C2)cc1 ZINC000096247511 130002121 /nfs/dbraw/zinc/00/21/21/130002121.db2.gz AVHQZHQVZOMFAL-RPBOFIJWSA-N 1 0 495.038 5.761 50 0 JKAARO COc1ccc(CCNC(=O)[C@@H]2C[C@@H](c3ccc(F)c(C)c3)C[N@H+](Cc3ccccc3Cl)C2)cc1 ZINC000096247513 130002526 /nfs/dbraw/zinc/00/25/26/130002526.db2.gz AVHQZHQVZOMFAL-JWQCQUIFSA-N 1 0 495.038 5.761 50 0 JKAARO O=C(C[C@@H](c1cn(Cc2ccccc2)c2ccccc12)c1ccccc1F)NCC[NH+]1CCCC1 ZINC000096275379 130011306 /nfs/dbraw/zinc/01/13/06/130011306.db2.gz MOCXFLONHLPSAK-AREMUKBSSA-N 1 0 469.604 5.563 50 0 JKAARO O=C(C[C@H](c1cn(Cc2ccccc2)c2ccccc12)C1CCCCC1)NCC[NH+]1CCCC1 ZINC000096275426 130011419 /nfs/dbraw/zinc/01/14/19/130011419.db2.gz PHIMLTNVXJWSHD-MHZLTWQESA-N 1 0 457.662 5.956 50 0 JKAARO Cc1ccccc1[C@@H](CC[NH+]1CCN(c2ccccc2Cl)CC1)Oc1ccc(F)c(Cl)c1 ZINC000096281665 130028245 /nfs/dbraw/zinc/02/82/45/130028245.db2.gz HTCVYMXEYNUGGY-AREMUKBSSA-N 1 0 473.419 6.773 50 0 JKAARO Cc1cc(O[C@@H](CC[NH+]2CCN(c3ccccc3Cl)CC2)c2ccccc2C)cc(C(C)C)c1 ZINC000096281668 130028570 /nfs/dbraw/zinc/02/85/70/130028570.db2.gz POOMJEPTVITUTN-PMERELPUSA-N 1 0 477.092 7.413 50 0 JKAARO Cc1ccc(Cl)c(O[C@@H](CC[NH+]2CCN(c3ccccc3Cl)CC2)c2ccccc2C)c1 ZINC000096281669 130028596 /nfs/dbraw/zinc/02/85/96/130028596.db2.gz NWTAZMSARSFXHR-SANMLTNESA-N 1 0 469.456 6.943 50 0 JKAARO Cc1ccccc1[C@H](CC[NH+]1CCN(c2ccccc2Cl)CC1)Oc1ccc(C(C)C)c(C)c1 ZINC000096281794 130028773 /nfs/dbraw/zinc/02/87/73/130028773.db2.gz ATSTWVZSEKQDTF-PMERELPUSA-N 1 0 477.092 7.413 50 0 JKAARO O=C(C[C@H](c1cn(Cc2ccc(F)cc2)c2ccccc12)c1ccccc1F)NCC[NH+]1CCCC1 ZINC000096287520 130030797 /nfs/dbraw/zinc/03/07/97/130030797.db2.gz FJHLEQMHUBFNLH-SANMLTNESA-N 1 0 487.594 5.702 50 0 JKAARO O=C1C[C@@H](N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C(=O)N1c1cccc(Cl)c1Cl ZINC000096299676 130053209 /nfs/dbraw/zinc/05/32/09/130053209.db2.gz IXLSIFKAPLUFCJ-HSZRJFAPSA-N 1 0 494.422 5.033 50 0 JKAARO C[C@@H](Oc1cc(-c2cnn(C3CC[NH2+]CC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl ZINC000035902489 341977327 /nfs/dbraw/zinc/97/73/27/341977327.db2.gz KTEIFNKAUNYNJU-GFCCVEGCSA-N 1 0 450.345 5.038 50 0 aggregator,fda JKAARO C(=C/c1ccccc1)\C[C@H](/C=C/c1ccccc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000044831324 518371124 /nfs/dbraw/zinc/37/11/24/518371124.db2.gz FFKBIJDNNHKVGD-GNBJAHSTSA-N 1 0 484.687 7.579 50 0 in-vitro JKAARO CC(C)(C)OC(=O)N1CCC(C(=O)NCc2ccccc2-c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000029096936 518800256 /nfs/dbraw/zinc/80/02/56/518800256.db2.gz MBRMIHYTFFDVJA-UHFFFAOYSA-N 1 0 477.649 5.213 50 0 JKAARO CC(C)(C)OC[C@H](O)C[N@@H+](Cc1cccc(F)c1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000036146392 518880432 /nfs/dbraw/zinc/88/04/32/518880432.db2.gz FXPCGERLWDQDSG-UXHICEINSA-N 1 0 483.411 5.304 50 0 JKAARO CC(C)[N@H+](CCCNC(=O)[C@@H](C)n1nc(-c2ccccc2)c2cc(Cl)ccc21)Cc1ccccc1 ZINC000013369311 519643465 /nfs/dbraw/zinc/64/34/65/519643465.db2.gz QROUNHWYDMPUBO-JOCHJYFZSA-N 1 0 489.063 6.335 50 0 JKAARO CC(C)[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@H](O)COC(C)(C)C ZINC000036307585 519653461 /nfs/dbraw/zinc/65/34/61/519653461.db2.gz NSVDZQKWQIXPHL-QFIPXVFZSA-N 1 0 469.601 5.405 50 0 JKAARO CC(C)[N@H+](Cc1ccc(C(O)(c2cccc(F)c2)c2cccc(F)c2)o1)Cc1cccs1 ZINC000036154641 519654774 /nfs/dbraw/zinc/65/47/74/519654774.db2.gz XLCICSDNBLXBLM-UHFFFAOYSA-N 1 0 453.554 6.314 50 0 JKAARO CC(C)[N@@H+]1CCc2c(sc(NC(=O)Cc3cccs3)c2-c2nc3ccccc3s2)C1 ZINC000022714521 519690282 /nfs/dbraw/zinc/69/02/82/519690282.db2.gz JFTPOLMRBHGUOL-UHFFFAOYSA-N 1 0 453.658 6.034 50 0 JKAARO CC(=O)Nc1ccc(-c2cc(C(=O)NCCC[N@@H+](C)C3CCCCC3)c3ccccc3n2)cc1 ZINC000033106318 519707879 /nfs/dbraw/zinc/70/78/79/519707879.db2.gz NHSAOTDGTTYBSL-UHFFFAOYSA-N 1 0 458.606 5.245 50 0 JKAARO CC(=O)Nc1ccc(-c2cc(C(=O)N3CC[NH+](C4CCCCC4)CC3)c3cc(C)ccc3n2)cc1 ZINC000033106348 519708038 /nfs/dbraw/zinc/70/80/38/519708038.db2.gz NPGCOKYXYDNVTM-UHFFFAOYSA-N 1 0 470.617 5.259 50 0 JKAARO CC(=O)Nc1ccc(C[NH+]2CCC([C@H](Cc3ccccc3F)N(C)C(=O)c3ccsc3)CC2)cc1 ZINC000014996313 519715871 /nfs/dbraw/zinc/71/58/71/519715871.db2.gz KKEUXRNIHRDLFT-MHZLTWQESA-N 1 0 493.648 5.441 50 0 JKAARO CC(C)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)C[C@@H](O)COC(C)(C)C ZINC000036306669 519717630 /nfs/dbraw/zinc/71/76/30/519717630.db2.gz FWPGTGGVCTXSJF-JOCHJYFZSA-N 1 0 483.628 5.653 50 0 JKAARO CC(C)C[N@@H+](Cc1c(-c2ccccc2)noc1N1CCCCC1)C[C@H](O)COCc1ccccc1 ZINC000036151091 519717663 /nfs/dbraw/zinc/71/76/63/519717663.db2.gz PAPKPJYXZMJHEM-SANMLTNESA-N 1 0 477.649 5.368 50 0 JKAARO CC(C)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@@H](O)COC(C)C ZINC000036308052 519717839 /nfs/dbraw/zinc/71/78/39/519717839.db2.gz FKSPQEIFPLSDDL-HSZRJFAPSA-N 1 0 451.611 5.123 50 0 JKAARO CC(C)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@@H](O)COC(C)(C)C ZINC000036307397 519717913 /nfs/dbraw/zinc/71/79/13/519717913.db2.gz DGBCGSCCSNJUHW-HSZRJFAPSA-N 1 0 483.628 5.653 50 0 JKAARO CC(C)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@@H](O)Cc1ccccc1 ZINC000036307376 519717951 /nfs/dbraw/zinc/71/79/51/519717951.db2.gz KZKWVNBHGDDOKI-SANMLTNESA-N 1 0 487.619 6.080 50 0 JKAARO CC(C)C[N@@H+](Cc1c(-c2ccccc2)noc1N1CCCCC1)C[C@H](O)COc1ccccc1 ZINC000036151083 519718001 /nfs/dbraw/zinc/71/80/01/519718001.db2.gz YOWXVSDFMLEPGX-DEOSSOPVSA-N 1 0 463.622 5.230 50 0 JKAARO CC(C)C[N@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)n2c(-c3ccc(F)cc3)csc2n1 ZINC000033268810 519718082 /nfs/dbraw/zinc/71/80/82/519718082.db2.gz SGQSUCAUZDJLKK-UHFFFAOYSA-N 1 0 455.986 5.874 50 0 JKAARO CC(C)C[N@H+](Cc1ccc(C(C)C)cc1)Cc1cc(=O)n2c(-c3ccc(F)cc3)csc2n1 ZINC000033069036 519718108 /nfs/dbraw/zinc/71/81/08/519718108.db2.gz IQDGDSBCIFDTCS-UHFFFAOYSA-N 1 0 463.622 6.344 50 0 JKAARO CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)N2CC[NH+](C3CCCCC3)CC2)[C@H]1c1cccs1 ZINC000020508424 519719757 /nfs/dbraw/zinc/71/97/57/519719757.db2.gz MQEHXQLGHLSHHE-IZZNHLLZSA-N 1 0 479.690 5.162 50 0 JKAARO CC(C)COC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)CC(C)C ZINC000036306645 519755606 /nfs/dbraw/zinc/75/56/06/519755606.db2.gz WUTYYAWMMNZVOP-QHCPKHFHSA-N 1 0 483.628 5.510 50 0 JKAARO CC(C)COC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(Cl)cc1)C1CC1 ZINC000036305134 519755729 /nfs/dbraw/zinc/75/57/29/519755729.db2.gz LRRGIHOIBAUUGH-QHCPKHFHSA-N 1 0 484.040 5.531 50 0 JKAARO CC(C)COC[C@H](O)C[N@@H+](Cc1ccccc1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000036146079 519757356 /nfs/dbraw/zinc/75/73/56/519757356.db2.gz UKEDXPVJNPBQBJ-RTWAWAEBSA-N 1 0 465.421 5.022 50 0 JKAARO CC(C)COC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C(C)C ZINC000036307044 519757397 /nfs/dbraw/zinc/75/73/97/519757397.db2.gz JEZLNIBJCJDWCO-HSZRJFAPSA-N 1 0 469.601 5.262 50 0 JKAARO CC(C)COC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)CC(C)C ZINC000036306647 519757694 /nfs/dbraw/zinc/75/76/94/519757694.db2.gz WUTYYAWMMNZVOP-HSZRJFAPSA-N 1 0 483.628 5.510 50 0 JKAARO CC(C)OC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)CC1CC1 ZINC000036307277 519773878 /nfs/dbraw/zinc/77/38/78/519773878.db2.gz OAGCIGIWWIHMEA-HSZRJFAPSA-N 1 0 467.585 5.016 50 0 JKAARO CC(C)[C@@H](NC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000036067305 519798223 /nfs/dbraw/zinc/79/82/23/519798223.db2.gz ZWUOJRFJVADCIJ-JCQUQYSESA-N 1 0 493.736 5.290 50 0 JKAARO CCC[NH+]1CCC2(CC1)Oc1c(Cl)cc(Cl)cc1[C@@H]1CC(c3ccc4ccccc4c3)=NN12 ZINC000025578365 519848058 /nfs/dbraw/zinc/84/80/58/519848058.db2.gz CKVYSNFCVIVVSY-VWLOTQADSA-N 1 0 480.439 6.892 50 0 JKAARO CCCC(=O)OC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)CC1CC1 ZINC000036304932 519880585 /nfs/dbraw/zinc/88/05/85/519880585.db2.gz FUACBYCEQYVUGZ-VWLOTQADSA-N 1 0 491.632 5.198 50 0 JKAARO CCN(C(=O)C1CCOCC1)[C@H](Cc1ccccc1)C1CC[NH+](CC[C@H](C)c2ccc(C)o2)CC1 ZINC000014882407 519901357 /nfs/dbraw/zinc/90/13/57/519901357.db2.gz GVCQVUFNIMYTSM-NEKDWFFYSA-N 1 0 480.693 5.680 50 0 JKAARO CCOC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(Cl)cc1)C(C)C ZINC000036303728 520095729 /nfs/dbraw/zinc/09/57/29/520095729.db2.gz PYMSRZDFDYFXKN-QFIPXVFZSA-N 1 0 458.002 5.234 50 0 JKAARO CCOC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)CC(C)C ZINC000036303998 520096200 /nfs/dbraw/zinc/09/62/00/520096200.db2.gz ZWDLSGGYLUFVHU-QFIPXVFZSA-N 1 0 473.564 5.107 50 0 JKAARO CCOC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccccc1)CC1CC1 ZINC000036301852 520154742 /nfs/dbraw/zinc/15/47/42/520154742.db2.gz WFUGHZQTFPLNPP-HSZRJFAPSA-N 1 0 470.013 5.236 50 0 JKAARO CCCOc1ccc([C@@](O)(CCc2ccccc2)[C@@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000020440479 520424072 /nfs/dbraw/zinc/42/40/72/520424072.db2.gz STUVJWIKNALXHR-CONSDPRKSA-N 1 0 457.658 6.566 50 0 JKAARO CCN(CC)C(=O)[C@@H]1CCC[N@@H+](C2CCN(c3ccc(NC(=O)c4ccc(C)cc4C)cc3)CC2)C1 ZINC000014987449 520526997 /nfs/dbraw/zinc/52/69/97/520526997.db2.gz MEZULPLBELSAAT-XMMPIXPASA-N 1 0 490.692 5.105 50 0 JKAARO CC1(C)Cc2c3c(ncn4nc(CSc5nc6ccccc6s5)nc34)sc2C(C)(C)[NH2+]1 ZINC000019790735 520579588 /nfs/dbraw/zinc/57/95/88/520579588.db2.gz IAHAYAPUEWMUEP-UHFFFAOYSA-N 1 0 466.661 5.400 50 0 JKAARO CC[NH+](CC)CCC[C@H](C)NC(=O)C[C@@H](c1cn(C)c2ccccc12)c1cc(OC)cc(OC)c1 ZINC000034890887 520633328 /nfs/dbraw/zinc/63/33/28/520633328.db2.gz ZRJORRIIXMTOPR-HFZDXXHNSA-N 1 0 479.665 5.344 50 0 JKAARO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cc(-c2ccccc2Cl)nc2cc(-c3ccccc3)nn21 ZINC000034833774 520635874 /nfs/dbraw/zinc/63/58/74/520635874.db2.gz FIYFBQIAKCSRSN-FQEVSTJZSA-N 1 0 490.051 5.957 50 0 JKAARO CC[NH+](CC)CCCN1C(=S)N=NC1c1ccc(COc2c(F)c(F)cc(F)c2F)cc1 ZINC000002792485 520638304 /nfs/dbraw/zinc/63/83/04/520638304.db2.gz GFHYHYBYOJJLIY-UHFFFAOYSA-N 1 0 468.520 5.101 50 0 JKAARO CC[NH+](CC)CCCn1c(SCC(=O)Nc2ccc(Cl)cc2Cl)nc2ccccc2c1=O ZINC000012781260 520639658 /nfs/dbraw/zinc/63/96/58/520639658.db2.gz ORVHYSOFTKQHKD-UHFFFAOYSA-N 1 0 493.460 5.166 50 0 JKAARO CC[NH+](CC)CCNC(=O)c1ccc(Oc2nccnc2Sc2ccc(Cl)cc2)cc1 ZINC000033139883 520685440 /nfs/dbraw/zinc/68/54/40/520685440.db2.gz NBYRBFIDDJXNDI-UHFFFAOYSA-N 1 0 456.999 5.145 50 0 JKAARO CC[NH+](CC)CCOc1ccccc1NC(=O)c1sc(COc2ccc(Cl)cc2)nc1C ZINC000036398386 520700449 /nfs/dbraw/zinc/70/04/49/520700449.db2.gz CYKOCEZUJJMFLL-UHFFFAOYSA-N 1 0 474.026 5.657 50 0 JKAARO CCC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)CC(C)C ZINC000036305687 520797190 /nfs/dbraw/zinc/79/71/90/520797190.db2.gz UIMSMSAPPFZVCZ-JOCHJYFZSA-N 1 0 451.611 5.507 50 0 JKAARO CCCCOc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCC[NH+](C)C)cc1OCC ZINC000008590461 520896282 /nfs/dbraw/zinc/89/62/82/520896282.db2.gz ZSWQAFFTTQLJQT-AREMUKBSSA-N 1 0 492.616 5.176 50 0 JKAARO CCN(CC)c1onc(-c2ccccc2)c1C[N@H+](CC(C)C)C[C@@H](O)COc1ccccc1 ZINC000036208286 520935273 /nfs/dbraw/zinc/93/52/73/520935273.db2.gz FJEGIAMUGDLRHG-HSZRJFAPSA-N 1 0 451.611 5.086 50 0 JKAARO CCOc1ccc(CNC(=O)C2CC[NH+](Cc3cc4ccccc4n3Cc3ccccc3C)CC2)cc1 ZINC000008602150 520981423 /nfs/dbraw/zinc/98/14/23/520981423.db2.gz UULLJMQUUKNCST-UHFFFAOYSA-N 1 0 495.667 5.925 50 0 aggregator JKAARO CC1CC[NH+](Cc2nnc(-c3cn(CC(=O)Nc4ccccc4Cl)c4ccccc34)o2)CC1 ZINC000033129357 521027569 /nfs/dbraw/zinc/02/75/69/521027569.db2.gz IPACCRXIHMWGCI-UHFFFAOYSA-N 1 0 463.969 5.215 50 0 JKAARO CCOc1ccc(NC(=O)N2CCC[C@H](c3cccc(C(=O)NCCC[NH+]4CCCCC4)c3)C2)cc1 ZINC000033035218 521085396 /nfs/dbraw/zinc/08/53/96/521085396.db2.gz XPZYXOHQGGAINP-VWLOTQADSA-N 1 0 492.664 5.103 50 0 JKAARO CCC(=O)N[C@@H]1c2ccccc2C2(CC[NH+](Cc3ccccc3-c3ccco3)CC2)[C@H]1OCCOC ZINC000012203925 521182421 /nfs/dbraw/zinc/18/24/21/521182421.db2.gz PWAGLVRFKFVQAM-WDYNHAJCSA-N 1 0 488.628 5.093 50 0 JKAARO CCC[C@H](O)C[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1cccc(OC)c1)CC1CC1 ZINC000036302631 521182905 /nfs/dbraw/zinc/18/29/05/521182905.db2.gz RVAHLXMRIPIOQL-QHCPKHFHSA-N 1 0 463.622 5.609 50 0 JKAARO CCC(=O)Nc1ccc(-c2cc(C(=O)NCCC[N@@H+]3CCC[C@H](C)C3)c3ccccc3n2)cc1 ZINC000033106302 521197068 /nfs/dbraw/zinc/19/70/68/521197068.db2.gz UQFKXEPLMRSJDM-FQEVSTJZSA-N 1 0 458.606 5.102 50 0 JKAARO CCC(=O)Nc1ccc(-c2cc(C(=O)NCCC[N@@H+]3CCCC[C@@H]3C)c3ccccc3n2)cc1 ZINC000033106294 521198248 /nfs/dbraw/zinc/19/82/48/521198248.db2.gz KLJJWRBQZMLUAF-FQEVSTJZSA-N 1 0 458.606 5.245 50 0 JKAARO CCOc1ccc(Sc2cc(C(=O)NCCC[N@@H+]3CCCC[C@H]3CC)c3ccccc3n2)cc1 ZINC000008812902 521216225 /nfs/dbraw/zinc/21/62/25/521216225.db2.gz FHXLBCDYWFKJDX-OAQYLSRUSA-N 1 0 477.674 6.169 50 0 JKAARO CCOC(=O)c1c2cc(OC)c(Br)cc2n(-c2ccccc2)c1C[NH+](CC)CC ZINC000005225583 521420414 /nfs/dbraw/zinc/42/04/14/521420414.db2.gz PBKUSMINMDYJBO-UHFFFAOYSA-N 1 0 459.384 5.420 50 0 biogenic JKAARO CCOc1ccccc1CNC(=O)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccccc2C)CC1 ZINC000046055838 521487160 /nfs/dbraw/zinc/48/71/60/521487160.db2.gz PPWSMHCSIZQHJU-UHFFFAOYSA-N 1 0 495.667 5.925 50 0 JKAARO CCC(CC)C(=O)N1CCC(Oc2ccc(C[N@H+](C)Cc3cc4ccccc4s3)cc2)CC1 ZINC000014995403 521487993 /nfs/dbraw/zinc/48/79/93/521487993.db2.gz SXTDUKFRJBRSTN-UHFFFAOYSA-N 1 0 464.675 6.339 50 0 JKAARO CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1cccc(Cl)c1)C(c1ccc(C)cc1)=N2 ZINC000035372820 521584436 /nfs/dbraw/zinc/58/44/36/521584436.db2.gz QVXPSHRACKEASC-UHFFFAOYSA-N 1 0 455.027 5.034 50 0 JKAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1sc2c(cnc3ccc(OC)cc23)c1-c1ccc(C)cc1 ZINC000045943794 521639457 /nfs/dbraw/zinc/63/94/57/521639457.db2.gz SKCQBJOMWICXMI-LJQANCHMSA-N 1 0 459.615 5.648 50 0 JKAARO CCC[NH+](CCC)C[C@H](O)Cn1c2ccc(Br)cc2c2cc(Br)ccc21 ZINC000012339494 521648173 /nfs/dbraw/zinc/64/81/73/521648173.db2.gz KLDOKMGBWGVRBP-KRWDZBQOSA-N 1 0 482.260 5.802 50 0 JKAARO CCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1)C[C@@H](O)COC(C)(C)C ZINC000036305561 521678256 /nfs/dbraw/zinc/67/82/56/521678256.db2.gz XZBGIITTWJEHLV-JOCHJYFZSA-N 1 0 481.637 5.276 50 0 JKAARO CCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)C[C@H](O)COC(C)(C)C ZINC000036305910 521678287 /nfs/dbraw/zinc/67/82/87/521678287.db2.gz MOWAINGVINHEMP-QFIPXVFZSA-N 1 0 481.637 5.276 50 0 JKAARO CCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@H](O)COCC(C)C ZINC000036307681 521678318 /nfs/dbraw/zinc/67/83/18/521678318.db2.gz YTDUHWAONNNPBE-QHCPKHFHSA-N 1 0 469.601 5.264 50 0 JKAARO CCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C[C@H](O)COC(C)C ZINC000036306472 521678380 /nfs/dbraw/zinc/67/83/80/521678380.db2.gz MAZYRNMWSMEGMJ-QHCPKHFHSA-N 1 0 451.611 5.186 50 0 JKAARO CCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@H](O)COc1ccccc1 ZINC000036307634 521678650 /nfs/dbraw/zinc/67/86/50/521678650.db2.gz XZEAMXVMUJPJPP-DEOSSOPVSA-N 1 0 489.591 5.670 50 0 JKAARO CCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)C[C@@H](O)COC(C)(C)C ZINC000036305913 521678726 /nfs/dbraw/zinc/67/87/26/521678726.db2.gz MOWAINGVINHEMP-JOCHJYFZSA-N 1 0 481.637 5.276 50 0 JKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C[C@H](O)COC(C)(C)C ZINC000036304189 521678968 /nfs/dbraw/zinc/67/89/68/521678968.db2.gz SQRKWESGYPHKFR-QFIPXVFZSA-N 1 0 487.591 5.639 50 0 JKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccc(Cl)cc2)c1Oc1ccccc1OC)C[C@H](O)COCC ZINC000036301893 521679035 /nfs/dbraw/zinc/67/90/35/521679035.db2.gz PEHGTNTXVUEOOM-QFIPXVFZSA-N 1 0 488.028 5.244 50 0 JKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C[C@@H](O)Cc1ccccc1 ZINC000036303908 521679161 /nfs/dbraw/zinc/67/91/61/521679161.db2.gz FTVZPBWBEBBFDB-SANMLTNESA-N 1 0 485.628 5.797 50 0 JKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)C[C@H](O)COC(C)(C)C ZINC000036308549 521679304 /nfs/dbraw/zinc/67/93/04/521679304.db2.gz VEGMDYDQFIDDNV-QHCPKHFHSA-N 1 0 451.611 5.361 50 0 JKAARO CCC[N@H+](Cc1ccc(C(O)(c2ccc(F)cc2)c2ccc(F)cc2)o1)Cc1cccc(OC)c1 ZINC000036203427 521682562 /nfs/dbraw/zinc/68/25/62/521682562.db2.gz RXNVGAUHUFULHR-UHFFFAOYSA-N 1 0 477.551 6.263 50 0 JKAARO CCC[N@H+](Cc1ccc(C(O)(c2ccc(OC)cc2)c2ccc(OC)cc2)o1)Cc1ccc(C)s1 ZINC000036154602 521682901 /nfs/dbraw/zinc/68/29/01/521682901.db2.gz YEZYOXJKODYOLR-UHFFFAOYSA-N 1 0 491.653 6.363 50 0 JKAARO CCC[N@H+](Cc1ccc(C(O)(c2ccc(OC)cc2)c2ccc(OC)cc2)o1)Cc1cccn1C ZINC000036154683 521682935 /nfs/dbraw/zinc/68/29/35/521682935.db2.gz OVFMUDAARGLDLR-UHFFFAOYSA-N 1 0 474.601 5.332 50 0 JKAARO CC[NH+]1CCN(c2c(CN(CCC(C)C)C(=O)c3cccs3)c(C)nn2-c2ccccc2)CC1 ZINC000034832155 521696778 /nfs/dbraw/zinc/69/67/78/521696778.db2.gz WWKJNPJICMYFSN-UHFFFAOYSA-N 1 0 479.694 5.073 50 0 JKAARO C[NH+](C)CCN(Cc1c(-c2ccccc2)noc1N1CCc2ccccc2C1)C(=O)c1cccs1 ZINC000036249011 521749781 /nfs/dbraw/zinc/74/97/81/521749781.db2.gz BSZLMZWBOSTJAH-UHFFFAOYSA-N 1 0 486.641 5.170 50 0 JKAARO C[NH+](C)CCN(Cc1csc(COc2cc(Cl)ccc2Cl)n1)C(=O)c1ccccc1 ZINC000036124491 521752459 /nfs/dbraw/zinc/75/24/59/521752459.db2.gz ONOFMZUWQXNCEY-UHFFFAOYSA-N 1 0 464.418 5.233 50 0 JKAARO CCc1ccccc1NC(=O)Cn1cc(-c2nnc(C[NH+]3CCC(C)CC3)o2)c2ccccc21 ZINC000033129361 521880731 /nfs/dbraw/zinc/88/07/31/521880731.db2.gz YEKKMVFGCSGOIC-UHFFFAOYSA-N 1 0 457.578 5.124 50 0 JKAARO C[NH+](C)Cc1cc(-c2nc3ccccc3s2)ccc1OCC(=O)NCc1cccc(Cl)c1 ZINC000014976650 521890352 /nfs/dbraw/zinc/89/03/52/521890352.db2.gz QQMDCQVBGDMHSL-UHFFFAOYSA-N 1 0 466.006 5.374 50 0 JKAARO CC[C@@H](C)C[NH+]1CCC(O)(c2ccc3oc(C(=O)N(C)Cc4cccc5ncccc45)cc3c2)CC1 ZINC000014984404 521988035 /nfs/dbraw/zinc/98/80/35/521988035.db2.gz MNCZGMPRTHSORY-OAQYLSRUSA-N 1 0 485.628 5.583 50 0 JKAARO COC(=O)c1ccc(C[NH+]2CCC([C@@H](Cc3ccccc3F)N(C)C(=O)c3cccs3)CC2)cc1 ZINC000014980909 522007209 /nfs/dbraw/zinc/00/72/09/522007209.db2.gz PNRBAWGMSCBBIV-RUZDIDTESA-N 1 0 494.632 5.269 50 0 JKAARO CC[C@@H](C)[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)C[C@H](O)COCC(C)C ZINC000036306154 522094049 /nfs/dbraw/zinc/09/40/49/522094049.db2.gz BXADOLCVXISLDC-VWNXMTODSA-N 1 0 495.664 5.522 50 0 JKAARO CC[C@@H](C)[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)C[C@H](O)COC(C)C ZINC000036306142 522094414 /nfs/dbraw/zinc/09/44/14/522094414.db2.gz DBPOBSYOHWFBKQ-GGAORHGYSA-N 1 0 481.637 5.274 50 0 JKAARO CC[C@@H](C)[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C[C@H](O)COC(C)(C)C ZINC000036302075 522097914 /nfs/dbraw/zinc/09/79/14/522097914.db2.gz NSKUQSCGBBGNDV-QPPBQGQZSA-N 1 0 495.664 5.758 50 0 JKAARO COc1cc(C(=O)NC(C)C)ccc1OC1CC[NH+](CC(c2ccccc2)c2ccccc2)CC1 ZINC000045298373 522099316 /nfs/dbraw/zinc/09/93/16/522099316.db2.gz RLEDTYGXESLWAT-UHFFFAOYSA-N 1 0 472.629 5.509 50 0 JKAARO COc1cc(C(=O)Nc2ccc3c(c2)nc(C[NH+]2CCC(C)CC2)n3C(C)C)cc(OC)c1OC ZINC000046007474 522157582 /nfs/dbraw/zinc/15/75/82/522157582.db2.gz GYNWAXGCOPGJMX-UHFFFAOYSA-N 1 0 480.609 5.127 50 0 JKAARO COc1cc(C[NH+]2CCC([C@@H](Cc3ccccc3F)N(C)C(=O)c3ccsc3)CC2)cc(OC)c1 ZINC000012512682 522369078 /nfs/dbraw/zinc/36/90/78/522369078.db2.gz SOPYRRBHGDQKDU-HHHXNRCGSA-N 1 0 496.648 5.500 50 0 JKAARO COc1cc(C[N@@H+]2CCC[C@@H](C)C2)ccc1OCCCNC(=O)c1ccccc1C(F)(F)F ZINC000014985029 522374358 /nfs/dbraw/zinc/37/43/58/522374358.db2.gz IWFWZWDXBMSZJL-GOSISDBHSA-N 1 0 464.528 5.145 50 0 JKAARO COC(=O)c1sc2nc(C[N@H+](C)[C@@H](C)c3cccs3)ccc2c1NC(=O)c1cccc(F)c1 ZINC000014974098 522430758 /nfs/dbraw/zinc/43/07/58/522430758.db2.gz UHMFBCAGFDSWKR-AWEZNQCLSA-N 1 0 483.590 5.729 50 0 JKAARO COC[C@@H]1CCC[N@@H+](C2CCN(c3ccc(NC(=O)CCCCc4ccccc4)cc3)CC2)C1 ZINC000014982133 522453349 /nfs/dbraw/zinc/45/33/49/522453349.db2.gz CZYQNJHKAYSGHV-RUZDIDTESA-N 1 0 463.666 5.365 50 0 JKAARO CC[C@@H](CO)[NH2+]C[C@H](O)Cn1c(-c2ccccc2)c(-c2ccccc2)c2ccc3ccccc3c21 ZINC000002299199 522573876 /nfs/dbraw/zinc/57/38/76/522573876.db2.gz SZVATVYGKIYYSJ-UIOOFZCWSA-N 1 0 464.609 5.850 50 0 JKAARO COCC(=O)N(C)[C@@H](Cc1ccc(F)cc1)C1CC[NH+]([C@@H](C)CCc2c[nH]c3ccccc23)CC1 ZINC000014989733 522728419 /nfs/dbraw/zinc/72/84/19/522728419.db2.gz XABFNTDFEFFLKN-KMRXNPHXSA-N 1 0 479.640 5.056 50 0 JKAARO C[N@H+](CCN1C(=O)c2cc3sccc3n2C[C@@]1(C)C(=O)NC1CCCCCC1)C1CCCCC1 ZINC000021809873 522822890 /nfs/dbraw/zinc/82/28/90/522822890.db2.gz QMXIUPGCUDQGHJ-MHZLTWQESA-N 1 0 484.710 5.021 50 0 JKAARO COc1cc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCC[NH+](C)C)ccc1OCCC(C)C ZINC000016752080 522935328 /nfs/dbraw/zinc/93/53/28/522935328.db2.gz FLFUZVUSIJXSDV-AREMUKBSSA-N 1 0 492.616 5.032 50 0 JKAARO COc1cc([C@H](c2c(C)[nH]c3ccccc32)N2CC[NH+](Cc3ccccc3)CC2)cc(OC)c1OC ZINC000021670493 522951331 /nfs/dbraw/zinc/95/13/31/522951331.db2.gz RWQJIRWUKNZWHK-GDLZYMKVSA-N 1 0 485.628 5.409 50 0 JKAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1c2ccccc2C(=O)N(CC(C)C)[C@@H]1c1cccs1 ZINC000037006528 523170947 /nfs/dbraw/zinc/17/09/47/523170947.db2.gz GWEMFKTUERXUNW-LPPUWEFUSA-N 1 0 481.706 5.456 50 0 JKAARO COCCC[N@H+](Cc1ccc(C(O)(c2ccc(F)cc2)c2ccc(F)cc2)o1)Cc1cccs1 ZINC000036154676 523262794 /nfs/dbraw/zinc/26/27/94/523262794.db2.gz AYGIFJKLGGJRIC-UHFFFAOYSA-N 1 0 483.580 5.942 50 0 JKAARO COCCC[N@H+](Cc1ccc(C(O)(c2cccs2)c2cccs2)o1)Cc1ccc(OC)cc1 ZINC000036167680 523262897 /nfs/dbraw/zinc/26/28/97/523262897.db2.gz SPCXMSOUCPEOKO-UHFFFAOYSA-N 1 0 483.655 5.734 50 0 JKAARO CCn1c2ccccc2c2cc(C[NH+]3CCC4(CC3)C(=O)N(C)C(=O)N4Cc3ccccc3)ccc21 ZINC000014745504 523275196 /nfs/dbraw/zinc/27/51/96/523275196.db2.gz VGBIFJLMXHYIPN-UHFFFAOYSA-N 1 0 480.612 5.243 50 0 JKAARO CCn1c2ccccc2c2cc(C[NH+]3CCN(Cc4ccc(OC)c(OC)c4OC)CC3)ccc21 ZINC000019891583 523275978 /nfs/dbraw/zinc/27/59/78/523275978.db2.gz GATKDRRUBJMMDR-UHFFFAOYSA-N 1 0 473.617 5.158 50 0 JKAARO CN(Cc1ccccc1)C(=O)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccccc2)CC1 ZINC000008602059 523324293 /nfs/dbraw/zinc/32/42/93/523324293.db2.gz RWFREDRXPHFRFD-UHFFFAOYSA-N 1 0 451.614 5.560 50 0 JKAARO CCn1cc(C[NH+]2CCC([C@@H](Cc3ccccc3F)N(C)C(=O)c3ccsc3)CC2)c(C)n1 ZINC000012244026 523368162 /nfs/dbraw/zinc/36/81/62/523368162.db2.gz XLMNYBDCUWQGBV-RUZDIDTESA-N 1 0 468.642 5.008 50 0 JKAARO CC[N+]1=C(/C=C/c2ccc(N(C)c3ccc(OC)cc3)cc2)C(C)(C)c2ccc(C(=O)OC)cc21 ZINC000020070419 523632386 /nfs/dbraw/zinc/63/23/86/523632386.db2.gz YJKPUBYZXMFPGK-UHFFFAOYSA-N 1 0 469.605 6.359 50 0 JKAARO COCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1)C[C@H](O)c1ccccc1 ZINC000036305316 523734872 /nfs/dbraw/zinc/73/48/72/523734872.db2.gz UMMOOFFCAHPFEM-MHZLTWQESA-N 1 0 487.600 5.070 50 0 JKAARO COCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1)C[C@@H](O)c1ccccc1 ZINC000036305318 523735669 /nfs/dbraw/zinc/73/56/69/523735669.db2.gz UMMOOFFCAHPFEM-HHHXNRCGSA-N 1 0 487.600 5.070 50 0 JKAARO COCC[N@H+](Cc1ccc(C(O)(c2ccc(F)cc2)c2ccc(F)cc2)o1)Cc1ccc(C)cc1 ZINC000036157188 523743978 /nfs/dbraw/zinc/74/39/78/523743978.db2.gz HHNZFIAARMPYKD-UHFFFAOYSA-N 1 0 477.551 5.799 50 0 JKAARO CCc1cc2c(cc3n2C[C@@](C)(C(=O)NC2CCC(C)CC2)N(CCC[NH+]2CCCCC2)C3=O)s1 ZINC000021810098 523845428 /nfs/dbraw/zinc/84/54/28/523845428.db2.gz MJYDZHPSICRUML-ZAFMFWTISA-N 1 0 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TWTILTKUAIHAJJ-PMACEKPBSA-N 1 0 487.088 5.080 50 0 JKAARO Cc1ccc(CNC(=O)C2CC[NH+](Cc3cc4ccccc4n3Cc3ccc(Cl)cc3)CC2)o1 ZINC000046055540 524495867 /nfs/dbraw/zinc/49/58/67/524495867.db2.gz WMCWDCOTHRICSO-UHFFFAOYSA-N 1 0 476.020 5.773 50 0 JKAARO Cc1ccc(CNC(=O)C2CC[NH+](Cc3cc4ccccc4n3Cc3ccccc3C)CC2)cc1 ZINC000046055783 524496011 /nfs/dbraw/zinc/49/60/11/524496011.db2.gz KVVNWQYORBGHKQ-UHFFFAOYSA-N 1 0 465.641 5.835 50 0 JKAARO Cc1ccc(CNC(=O)C2CC[NH+](Cc3cc4ccccc4n3Cc3cccc(C)c3)CC2)cc1 ZINC000046055873 524496347 /nfs/dbraw/zinc/49/63/47/524496347.db2.gz HTXZCMBAIYQETP-UHFFFAOYSA-N 1 0 465.641 5.835 50 0 JKAARO Cc1ccc(CNC(=O)C2CC[NH+](Cc3cc4ccccc4n3Cc3ccccc3Cl)CC2)o1 ZINC000046055736 524496446 /nfs/dbraw/zinc/49/64/46/524496446.db2.gz HVAJMPAJCFORRA-UHFFFAOYSA-N 1 0 476.020 5.773 50 0 JKAARO Cc1cccc(NC(=O)CSC2=NC3(CC[NH+](C)CC3)N=C2c2ccc(C(C)(C)C)cc2)c1 ZINC000045912714 524600590 /nfs/dbraw/zinc/60/05/90/524600590.db2.gz ABJPJPXOSCMPTL-UHFFFAOYSA-N 1 0 462.663 5.288 50 0 JKAARO COc1ccccc1NC(=O)c1cc2cc(C3(O)CC[NH+](Cc4ccccc4)CC3)ccc2o1 ZINC000014966721 524626255 /nfs/dbraw/zinc/62/62/55/524626255.db2.gz BGZXRHRNLFWJRB-UHFFFAOYSA-N 1 0 456.542 5.177 50 0 JKAARO COc1ccc(NC(=O)c2cc3cc(C4(O)CC[NH+](Cc5ccccc5)CC4)ccc3o2)cc1OC ZINC000012453928 524628375 /nfs/dbraw/zinc/62/83/75/524628375.db2.gz DHIHMSYLDGRKMJ-UHFFFAOYSA-N 1 0 486.568 5.186 50 0 JKAARO Cc1cccc(NS(=O)(=O)c2ccc(C(=O)NCC3([NH+]4CCCCC4)CCCCC3)cc2)c1C ZINC000012521288 524690743 /nfs/dbraw/zinc/69/07/43/524690743.db2.gz WCVSGMHNIBLAHG-UHFFFAOYSA-N 1 0 483.678 5.023 50 0 JKAARO COc1ccccc1Oc1c(C[N@H+](C[C@@H](O)COC(C)(C)C)C2CC2)c(-c2ccccc2)nn1C ZINC000036305852 524693992 /nfs/dbraw/zinc/69/39/92/524693992.db2.gz VAUXKHJDXMXBNM-JOCHJYFZSA-N 1 0 479.621 5.028 50 0 JKAARO COc1ccccc1Oc1c(C[N@H+](C[C@@H](O)COC(C)(C)C)CC2CC2)c(C)nn1-c1ccccc1 ZINC000036302301 524694871 /nfs/dbraw/zinc/69/48/71/524694871.db2.gz NYXDIEGQSCLNIJ-XMMPIXPASA-N 1 0 493.648 5.370 50 0 JKAARO COc1ccccc1Oc1c(C[N@H+](CC(C)C)C[C@@H](O)COCC(C)C)c(-c2ccccc2)nn1C ZINC000036305697 524694979 /nfs/dbraw/zinc/69/49/79/524694979.db2.gz CNWHEUSYTKVOGB-XMMPIXPASA-N 1 0 495.664 5.380 50 0 JKAARO COc1ccccc1Oc1c(C[N@H+](CC(C)C)C[C@H](O)COC(C)C)c(-c2ccccc2)nn1C ZINC000036305678 524695017 /nfs/dbraw/zinc/69/50/17/524695017.db2.gz CIPMHZHZLWZOJC-QHCPKHFHSA-N 1 0 481.637 5.132 50 0 JKAARO Cc1ccc(Cl)cc1NC(=O)C1CC[NH+](Cc2cc3ccccc3n2Cc2cccc(F)c2)CC1 ZINC000046055985 524739404 /nfs/dbraw/zinc/73/94/04/524739404.db2.gz TUBSQYPVRAXRDL-UHFFFAOYSA-N 1 0 490.022 6.641 50 0 JKAARO Cc1ccc(Cn2c(C[NH+]3CCC(C(=O)NCCc4ccccc4)CC3)cc3ccccc32)cc1 ZINC000008606982 524766237 /nfs/dbraw/zinc/76/62/37/524766237.db2.gz SDWMXKXHTZLEKY-UHFFFAOYSA-N 1 0 465.641 5.569 50 0 JKAARO Cc1cccc(OCc2nc(CN(CC[NH+]3CCCCC3)C(=O)c3ccc(Cl)cc3)cs2)c1C ZINC000036116604 524766718 /nfs/dbraw/zinc/76/67/18/524766718.db2.gz LMIKOBZQOYZVGX-UHFFFAOYSA-N 1 0 498.092 6.121 50 0 JKAARO Cc1cccc(OCc2nc(CN(CC[NH+](C)C)C(=O)c3ccc(Cl)cc3)cs2)c1C ZINC000036114308 524767801 /nfs/dbraw/zinc/76/78/01/524767801.db2.gz BEUUNKCEKGMYDK-UHFFFAOYSA-N 1 0 458.027 5.196 50 0 JKAARO Cc1cccc(Oc2c(C[N@H+](C[C@H](O)COCC(C)C)CC3CC3)c(-c3ccccc3)nn2C)c1 ZINC000036306566 524785616 /nfs/dbraw/zinc/78/56/16/524785616.db2.gz NTNNOPKVMRZNIR-VWLOTQADSA-N 1 0 477.649 5.433 50 0 JKAARO Cc1cccc(Oc2c(C[N@H+](C[C@H](O)COC(C)(C)C)C3CC3)c(-c3ccccc3)nn2C)c1 ZINC000036306447 524786352 /nfs/dbraw/zinc/78/63/52/524786352.db2.gz SSOPDQPIXOHZDX-QHCPKHFHSA-N 1 0 463.622 5.328 50 0 JKAARO COc1ccc(OC)c(NC(=O)c2cc3cc(C4(O)CC[NH+](CC5CCCCC5)CC4)ccc3o2)c1 ZINC000014960765 524866084 /nfs/dbraw/zinc/86/60/84/524866084.db2.gz VUTLJKUNUSVCFJ-UHFFFAOYSA-N 1 0 492.616 5.566 50 0 JKAARO Cc1cccc([C@H](CC(=O)NCC[NH+]2CCCCC2)c2cn(Cc3ccc(F)cc3)c3ccccc23)c1 ZINC000033632768 524879467 /nfs/dbraw/zinc/87/94/67/524879467.db2.gz DVNNGYKXZOHBRF-LJAQVGFWSA-N 1 0 497.658 6.261 50 0 JKAARO Cc1cccc([C@H]2CCC[N@@H+](C3CCN(c4ccc(C(=O)NCc5cccnc5)cc4)CC3)C2)c1 ZINC000014881758 524887833 /nfs/dbraw/zinc/88/78/33/524887833.db2.gz JQIXPBKIRGSKMY-MHZLTWQESA-N 1 0 468.645 5.168 50 0 JKAARO COc1ccc(Oc2c(C[N@H+](C[C@@H](O)Cc3ccccc3)C3CC3)c(C)nn2-c2ccccc2)cc1 ZINC000036304485 524988803 /nfs/dbraw/zinc/98/88/03/524988803.db2.gz FPLLPNNEDIOGTQ-SANMLTNESA-N 1 0 483.612 5.550 50 0 JKAARO COc1ccc(Oc2c(C[N@H+](C[C@H](O)COC(C)(C)C)CC3CC3)c(C)nn2-c2ccccc2)cc1 ZINC000036304641 524989086 /nfs/dbraw/zinc/98/90/86/524989086.db2.gz OAPPLRFJVWIXOO-DEOSSOPVSA-N 1 0 493.648 5.370 50 0 JKAARO COc1ccc(Oc2c(C[N@H+](CC(C)C)C[C@H](O)COCC(C)C)c(-c3ccccc3)nn2C)cc1 ZINC000036305949 524989361 /nfs/dbraw/zinc/98/93/61/524989361.db2.gz OGPYMBGMTWYCTG-DEOSSOPVSA-N 1 0 495.664 5.380 50 0 JKAARO COc1ccc(Oc2c(C[N@H+](C[C@@H](O)c3ccccc3)CC3CC3)c(C)nn2-c2ccccc2)cc1 ZINC000036304604 524989701 /nfs/dbraw/zinc/98/97/01/524989701.db2.gz OIYKFPZPIRWDRY-GDLZYMKVSA-N 1 0 483.612 5.927 50 0 JKAARO COc1ccc(Oc2c(C[N@H+](CC(C)C)C[C@@H](O)COCC(C)C)c(C)nn2-c2ccccc2)cc1 ZINC000036302369 524989880 /nfs/dbraw/zinc/98/98/80/524989880.db2.gz FBSSMTCRPZUDIX-RUZDIDTESA-N 1 0 495.664 5.473 50 0 JKAARO Cc1ccc(NC(=O)C2CC[NH+](Cc3cc4ccccc4n3Cc3cccc(Cl)c3)CC2)cc1C ZINC000046055616 525026029 /nfs/dbraw/zinc/02/60/29/525026029.db2.gz TUEDVKYSVZHLBE-UHFFFAOYSA-N 1 0 486.059 6.811 50 0 JKAARO Cc1ccc(NC(=O)C2CC[NH+](Cc3cc4ccccc4n3Cc3cccc(F)c3)CC2)cc1C ZINC000046056032 525026132 /nfs/dbraw/zinc/02/61/32/525026132.db2.gz MWDJKHRFKRSERH-UHFFFAOYSA-N 1 0 469.604 6.296 50 0 JKAARO Cc1ccc(NC(=O)C2CC[NH+](Cc3cc4ccccc4n3Cc3ccccc3Cl)CC2)c(C)c1 ZINC000046055705 525027167 /nfs/dbraw/zinc/02/71/67/525027167.db2.gz SSXDATRFKRACAI-UHFFFAOYSA-N 1 0 486.059 6.811 50 0 JKAARO Cc1ccc(NC(=O)C2CC[NH+](Cc3cc4ccccc4n3Cc3ccccc3Cl)CC2)cc1F ZINC000046055727 525027323 /nfs/dbraw/zinc/02/73/23/525027323.db2.gz YVBKXIQPYSTCJW-UHFFFAOYSA-N 1 0 490.022 6.641 50 0 JKAARO C[C@@H](NC(=O)C1CC[NH+](Cc2cc3ccccc3n2Cc2cccc(Cl)c2)CC1)c1ccccc1 ZINC000046055612 525069731 /nfs/dbraw/zinc/06/97/31/525069731.db2.gz UXRASJBWOMDAMY-JOCHJYFZSA-N 1 0 486.059 6.432 50 0 JKAARO Cc1ccc(NC(=O)CSC2=NC3(CC[NH+](C)CC3)N=C2c2ccc(C(C)(C)C)cc2)cc1 ZINC000045912719 525073428 /nfs/dbraw/zinc/07/34/28/525073428.db2.gz QBCMNHIEYNQRQI-UHFFFAOYSA-N 1 0 462.663 5.288 50 0 JKAARO COc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(NC4CCCCC4)nc(C)[nH+]3)cc2)cc1C ZINC000033326915 525084673 /nfs/dbraw/zinc/08/46/73/525084673.db2.gz DPQYNWFQVYRUHE-UHFFFAOYSA-N 1 0 481.622 5.391 50 0 JKAARO Cc1ccc(NC(=O)Cn2cc(-c3nnc(C[NH+]4CCC(C)CC4)o3)c3ccccc32)cc1Cl ZINC000033278797 525102131 /nfs/dbraw/zinc/10/21/31/525102131.db2.gz LKODFMXFIPXYSP-UHFFFAOYSA-N 1 0 477.996 5.524 50 0 JKAARO Cc1ccc(NC(=O)N(Cc2ccc3c(c2)OCO3)C2CC[NH+](Cc3ccccc3)CC2)cc1F ZINC000008619112 525115623 /nfs/dbraw/zinc/11/56/23/525115623.db2.gz CSTWBCGNKWTOSS-UHFFFAOYSA-N 1 0 475.564 5.562 50 0 JKAARO Cc1ccccc1C[N@@H+](Cc1ccc(C(O)(c2cccc(F)c2)c2cccc(F)c2)o1)C(C)C ZINC000036203265 525130464 /nfs/dbraw/zinc/13/04/64/525130464.db2.gz QHUZMZOGHDXPBJ-UHFFFAOYSA-N 1 0 461.552 6.561 50 0 JKAARO Cc1ccccc1C[NH+]1CCC([C@H](Cc2ccccc2)N(C(=O)c2ccccn2)C2CC2)CC1 ZINC000014958552 525138245 /nfs/dbraw/zinc/13/82/45/525138245.db2.gz QFAUCXHKKWVORH-LJAQVGFWSA-N 1 0 453.630 5.518 50 0 JKAARO Cc1ccccc1CNC(=O)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccccc2C)CC1 ZINC000046055847 525149878 /nfs/dbraw/zinc/14/98/78/525149878.db2.gz FJVAUKBUGYPUEA-UHFFFAOYSA-N 1 0 465.641 5.835 50 0 JKAARO Cc1ccccc1Cn1c(C[NH+]2CCC(C(=O)NC[C@H](C)c3ccccc3)CC2)cc2ccccc21 ZINC000046055812 525208986 /nfs/dbraw/zinc/20/89/86/525208986.db2.gz SYYGZKOGYUJVPU-VWLOTQADSA-N 1 0 479.668 6.130 50 0 JKAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)CN2C(=O)/C(=C\c3cccc(Cl)c3)Sc3ccccc32)C1 ZINC000020181089 525209235 /nfs/dbraw/zinc/20/92/35/525209235.db2.gz AQYNJQLGLPYHEP-FWOCFWLASA-N 1 0 498.092 5.304 50 0 JKAARO Cc1ccccc1Cn1c(C[NH+]2CCC(C(=O)NCCC3=CCCCC3)CC2)cc2ccccc21 ZINC000046055821 525209185 /nfs/dbraw/zinc/20/91/85/525209185.db2.gz SSHOWUFYGIAAIE-UHFFFAOYSA-N 1 0 469.673 6.217 50 0 JKAARO Cc1ccccc1Cn1c(C[NH+]2CCC(C(=O)NCc3ccccc3Cl)CC2)cc2ccccc21 ZINC000046055773 525209586 /nfs/dbraw/zinc/20/95/86/525209586.db2.gz ZTAGXZVKSGZNBZ-UHFFFAOYSA-N 1 0 486.059 6.180 50 0 JKAARO Cc1ccccc1Cn1c(C[NH+]2CCC(C(=O)NCc3ccccc3F)CC2)cc2ccccc21 ZINC000046055835 525209848 /nfs/dbraw/zinc/20/98/48/525209848.db2.gz GPYGKSBEUASUHH-UHFFFAOYSA-N 1 0 469.604 5.666 50 0 JKAARO Cc1ccccc1Cn1c(C[NH+]2CCC(C(=O)N[C@H](C)c3ccccc3)CC2)cc2ccccc21 ZINC000046055792 525209887 /nfs/dbraw/zinc/20/98/87/525209887.db2.gz ITWBTZLAXGFXJW-XMMPIXPASA-N 1 0 465.641 6.087 50 0 JKAARO Cc1ccccc1N1CC[NH+](CC[C@@H](Oc2ccccc2Cl)c2ccc3c(c2)OCO3)CC1 ZINC000034728439 525224254 /nfs/dbraw/zinc/22/42/54/525224254.db2.gz RLKVEZVNXSKDBI-XMMPIXPASA-N 1 0 464.993 5.710 50 0 JKAARO Cc1ccccc1OC[C@@H](O)C[N@@H+](Cc1ccccc1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000036146595 525308147 /nfs/dbraw/zinc/30/81/47/525308147.db2.gz OUPYRAFXYKMKCL-GOTSBHOMSA-N 1 0 499.438 5.737 50 0 JKAARO COc1ccc([C@H](CC[NH+]2CCN(c3ccccc3C)CC2)Oc2cc(C)ccc2Cl)cc1 ZINC000034727409 525349693 /nfs/dbraw/zinc/34/96/93/525349693.db2.gz NQBPDVRGTWYSNA-MHZLTWQESA-N 1 0 465.037 6.298 50 0 JKAARO C[C@@H]1C[C@H](C)C[N@@H+](CCC(=O)O[C@@H]2CC[C@H]3[C@@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)C1 ZINC000035485016 525380992 /nfs/dbraw/zinc/38/09/92/525380992.db2.gz UZYZRISMGTUDCJ-AWLIVGBKSA-N 1 0 457.699 5.878 50 0 biogenic JKAARO COc1ccc2[nH]cc(CCNC(=O)c3ccccc3SC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)c2c1 ZINC000036056943 525493053 /nfs/dbraw/zinc/49/30/53/525493053.db2.gz GJAYETZNERUDBM-HFZDXXHNSA-N 1 0 477.674 5.506 50 0 JKAARO COc1ccc2[nH+]c(C)cc(Nc3ccc(Sc4nc5ccccc5s4)c(Cl)c3)c2c1 ZINC000012445684 525665057 /nfs/dbraw/zinc/66/50/57/525665057.db2.gz YCMWNEHRUFFPKP-UHFFFAOYSA-N 1 0 464.015 7.710 50 0 JKAARO Cc1cc2oc(=O)cc(CN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c2cc1Cl ZINC000020502783 525690964 /nfs/dbraw/zinc/69/09/64/525690964.db2.gz KTNRWLONLXRMCU-UHFFFAOYSA-N 1 0 458.989 5.662 50 0 JKAARO COc1cccc(-c2ccccc2NC(=O)C2CC[NH+](Cc3cccc4ccccc43)CC2)c1 ZINC000012458449 525715303 /nfs/dbraw/zinc/71/53/03/525715303.db2.gz ZOILWBWOJQGUJC-UHFFFAOYSA-N 1 0 450.582 6.366 50 0 JKAARO Cc1ccc(-c2cccc3c(C(=O)NCCCN4CCC([NH+]5CCCCC5)CC4)cc(C)nc23)cc1 ZINC000033036972 525756071 /nfs/dbraw/zinc/75/60/71/525756071.db2.gz XHEHRQCMJDKVAJ-UHFFFAOYSA-N 1 0 484.688 5.589 50 0 JKAARO Cc1ccsc1C[NH+]1CCC([C@H](Cc2ccccc2)N(C(=O)c2ccccn2)C2CC2)CC1 ZINC000014954450 525845305 /nfs/dbraw/zinc/84/53/05/525845305.db2.gz WIDOBXWKEOWWHT-SANMLTNESA-N 1 0 459.659 5.580 50 0 JKAARO COc1cccc(C[NH+]2CCC([C@@H](Cc3ccccc3F)N(C)C(=O)c3ccoc3C)CC2)c1 ZINC000012331002 525935739 /nfs/dbraw/zinc/93/57/39/525935739.db2.gz QCEXVOKIVZPMRI-HHHXNRCGSA-N 1 0 464.581 5.331 50 0 JKAARO COc1cccc(C[NH+]2CCC([C@@H](Cc3ccccc3F)N(C)C(=O)c3ccoc3C)CC2)c1OC ZINC000014986851 525935829 /nfs/dbraw/zinc/93/58/29/525935829.db2.gz RNZFVXWKUQLOJM-AREMUKBSSA-N 1 0 494.607 5.340 50 0 JKAARO COc1cccc(CNC(=O)C2CC[NH+](Cc3cc4ccccc4n3Cc3ccc(C)cc3)CC2)c1 ZINC000008606993 525962789 /nfs/dbraw/zinc/96/27/89/525962789.db2.gz HSQYSYPNKJTTKU-UHFFFAOYSA-N 1 0 481.640 5.535 50 0 JKAARO CSc1ccc(CNC(=O)C2CC[NH+](Cc3cc4ccccc4n3Cc3ccccc3C)CC2)cc1 ZINC000046055840 525992630 /nfs/dbraw/zinc/99/26/30/525992630.db2.gz OEOJOSLNAMZDCD-UHFFFAOYSA-N 1 0 497.708 6.248 50 0 JKAARO Cc1cc(-c2cc(C(=O)N3CCC[N@H+](Cc4ccccc4)CC3)c3cnn(C(C)C)c3n2)c(C)s1 ZINC000014857337 526037496 /nfs/dbraw/zinc/03/74/96/526037496.db2.gz GTKYIAXQBXSQQS-UHFFFAOYSA-N 1 0 487.673 5.706 50 0 JKAARO Cc1ccc(C(=O)N2CCCC[C@H]2CCOc2ccc(C[N@H+](C)Cc3cccs3)cc2)cc1 ZINC000014989751 526093082 /nfs/dbraw/zinc/09/30/82/526093082.db2.gz LNQVYSINXXADOT-VWLOTQADSA-N 1 0 462.659 6.152 50 0 JKAARO Cc1ccc(C(=O)N2CCc3ccccc3C2)c(C2CC[NH+](Cc3cccc(Cl)c3)CC2)n1 ZINC000037554738 526134267 /nfs/dbraw/zinc/13/42/67/526134267.db2.gz YUILCKJKSNNQGF-UHFFFAOYSA-N 1 0 460.021 5.622 50 0 JKAARO COc1cccc(NC(=O)C2CC[NH+](Cc3cc4ccccc4n3Cc3ccccc3Cl)CC2)c1 ZINC000046055678 526169625 /nfs/dbraw/zinc/16/96/25/526169625.db2.gz YDHYCKWSZVIRTB-UHFFFAOYSA-N 1 0 488.031 6.202 50 0 JKAARO Cc1ccc(C(=O)NC[C@H](C)Oc2cccc(C[N@H+]3CC=C(c4ccc(F)cc4)CC3)c2)s1 ZINC000012452574 526179108 /nfs/dbraw/zinc/17/91/08/526179108.db2.gz YQEOUMUPSZTUCI-IBGZPJMESA-N 1 0 464.606 5.682 50 0 JKAARO Cc1ccc2c(c1)[nH]c(C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c2Sc1ccc(Cl)cc1 ZINC000020466735 526215243 /nfs/dbraw/zinc/21/52/43/526215243.db2.gz KXAKMMOGFVFSKS-RTBURBONSA-N 1 0 470.082 6.379 50 0 JKAARO Cc1ccc(C(=O)Nc2ccc(N3CCC([NH2+]CCc4cnn(-c5ccccc5)c4)CC3)cc2)c(C)c1 ZINC000012247351 526221536 /nfs/dbraw/zinc/22/15/36/526221536.db2.gz VUVDJSSQXRTESJ-UHFFFAOYSA-N 1 0 493.655 5.543 50 0 JKAARO Cc1cc(C(=O)N2CCC(Oc3ccc(C[N@H+](C)Cc4cc5ccccc5s4)cc3)CC2)n(C)n1 ZINC000012244230 526239676 /nfs/dbraw/zinc/23/96/76/526239676.db2.gz MGIFWGXHYVWJKN-UHFFFAOYSA-N 1 0 488.657 5.259 50 0 JKAARO C[C@H]1CCCC[N@@H+]1CCCN1C(=O)c2ccc(-c3ccco3)n2C[C@@]1(C)C(=O)NC1CCCCCC1 ZINC000021864585 526246044 /nfs/dbraw/zinc/24/60/44/526246044.db2.gz BHYDECZKMVPXTJ-ZTOMLWHTSA-N 1 0 494.680 5.066 50 0 JKAARO Cc1ccc(C)c(-c2csc3[nH]c(C[N@@H+](C[C@@H](O)COCC(C)C)C4CCCCC4)nc(=O)c23)c1 ZINC000036206526 526256273 /nfs/dbraw/zinc/25/62/73/526256273.db2.gz MEVVNMZLQIEJJU-JOCHJYFZSA-N 1 0 497.705 5.437 50 0 JKAARO Cc1cc(C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)c2cccc(-c3ccc(F)cc3)c2n1 ZINC000033036842 526266226 /nfs/dbraw/zinc/26/62/26/526266226.db2.gz CXNQAGWZSWSUJJ-UHFFFAOYSA-N 1 0 482.603 5.291 50 0 JKAARO Cc1cc(C(=O)NCCCN2CCC([NH+]3CCCCC3)CC2)c2cccc(-c3ccc(F)cc3)c2n1 ZINC000033036839 526266397 /nfs/dbraw/zinc/26/63/97/526266397.db2.gz TUZAFNXESUSYIE-UHFFFAOYSA-N 1 0 488.651 5.420 50 0 JKAARO O[C@H](C[NH2+]CCc1ccccc1)Cn1c2ccc(Cl)cc2c2cc(Br)ccc21 ZINC000028297139 526277022 /nfs/dbraw/zinc/27/70/22/526277022.db2.gz YZMDDLKMSZPSNJ-LJQANCHMSA-N 1 0 457.799 5.404 50 0 JKAARO O[C@H](COCc1ccccc1)C[N@@H+](Cc1ccccc1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000036146067 526285843 /nfs/dbraw/zinc/28/58/43/526285843.db2.gz LQMVFZQJIHTYFU-ZEQRLZLVSA-N 1 0 499.438 5.566 50 0 JKAARO O=C(NCC[N@H+](CCc1ccccc1)Cc1ccco1)c1sc2ncccc2c1-n1cccc1 ZINC000033059885 526295535 /nfs/dbraw/zinc/29/55/35/526295535.db2.gz OERZMYRCYVCQKT-UHFFFAOYSA-N 1 0 470.598 5.155 50 0 JKAARO O=C(NCC[NH+]1CCCCCC1)c1cccc([C@H]2CCCN(C(=O)Nc3ccc(Cl)cc3)C2)c1 ZINC000033035478 526310441 /nfs/dbraw/zinc/31/04/41/526310441.db2.gz KKVJMOFBVGGGFG-QHCPKHFHSA-N 1 0 483.056 5.357 50 0 JKAARO Cc1nn2c(nc(C)cc2N2CC[NH+](Cc3c(C)ccc4ccccc43)CC2)c1-c1ccccc1 ZINC000020478326 526311245 /nfs/dbraw/zinc/31/12/45/526311245.db2.gz NPSUCPFBHYSRGQ-UHFFFAOYSA-N 1 0 461.613 5.797 50 0 JKAARO Cc1nn2c(nc(C)cc2N2CC[NH+](Cc3c(C)ccc4ccccc43)CC2)c1-c1ccc(Cl)cc1 ZINC000020478577 526311471 /nfs/dbraw/zinc/31/14/71/526311471.db2.gz QKCBPMVZIYBATL-UHFFFAOYSA-N 1 0 496.058 6.450 50 0 JKAARO Fc1ccc(-c2cc3c(N4CC[NH+](C(c5ccccc5)c5ccccc5)CC4)nccn3n2)cc1 ZINC000067284998 526314327 /nfs/dbraw/zinc/31/43/27/526314327.db2.gz PKAZIULGIWTPMN-UHFFFAOYSA-N 1 0 463.560 5.447 50 0 JKAARO Fc1ccc(-c2noc3ncnc(NCC4CC[NH+](Cc5ccc(Cl)cc5)CC4)c32)cc1 ZINC000008595334 526320107 /nfs/dbraw/zinc/32/01/07/526320107.db2.gz FRGXTAWUPDUAJJ-UHFFFAOYSA-N 1 0 451.933 5.401 50 0 JKAARO O[C@]1(c2ccc(Br)cc2)CN2CCCCCC2=[N+]1c1cccc(C(F)(F)F)c1 ZINC000019909097 526320591 /nfs/dbraw/zinc/32/05/91/526320591.db2.gz JOSYBHUUYCTSMP-FQEVSTJZSA-N 1 0 454.310 5.118 50 0 JKAARO Fc1ccc(C[NH+]2CCC(c3nnc(SC[C@H]4CCCO4)n3Cc3ccccc3)CC2)cc1 ZINC000014979130 526332210 /nfs/dbraw/zinc/33/22/10/526332210.db2.gz MZBWZZHHGDXUDN-XMMPIXPASA-N 1 0 466.626 5.116 50 0 JKAARO Fc1cccc(C[NH+]2CCC(c3nnc(SC[C@H]4CCCO4)n3Cc3ccccc3)CC2)c1 ZINC000014886237 526385312 /nfs/dbraw/zinc/38/53/12/526385312.db2.gz FCEVJVITBPIFLO-XMMPIXPASA-N 1 0 466.626 5.116 50 0 JKAARO c1c(-c2ccccc2)sc2ncnc(N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c12 ZINC000025286492 526396163 /nfs/dbraw/zinc/39/61/63/526396163.db2.gz HGLJVZXLCWWLNP-UHFFFAOYSA-N 1 0 462.622 6.270 50 0 JKAARO 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JKAARO Clc1ccc(COc2ccc3ccccc3c2C[NH2+]Cc2ccc3c(c2)OCO3)c(Cl)c1 ZINC000016525987 526950970 /nfs/dbraw/zinc/95/09/70/526950970.db2.gz PICHJIZEBYEBOE-UHFFFAOYSA-N 1 0 466.364 6.744 50 0 JKAARO Clc1ccc2c(c1)[C@H]1CC(c3cccs3)=NN1C1(CC[NH+](Cc3ccccc3)CC1)O2 ZINC000008717722 526967475 /nfs/dbraw/zinc/96/74/75/526967475.db2.gz HWWKXTHNOXPQQY-JOCHJYFZSA-N 1 0 450.007 5.937 50 0 JKAARO Clc1cccc(C[NH+]2CCC(c3nnc(SC[C@@H]4CCCO4)n3Cc3ccccc3)CC2)c1 ZINC000014972217 526974195 /nfs/dbraw/zinc/97/41/95/526974195.db2.gz QAORQMBAKLEVDN-DEOSSOPVSA-N 1 0 483.081 5.631 50 0 JKAARO O=C(COc1ccccc1)Nc1ccc(N2CCC([NH2+]Cc3csc(-c4ccccc4)n3)CC2)cc1 ZINC000012218524 526985382 /nfs/dbraw/zinc/98/53/82/526985382.db2.gz NSJQVKMIOYSDKH-UHFFFAOYSA-N 1 0 498.652 5.586 50 0 JKAARO O=C1CC[C@@H]2C[N@@H+](Cc3cccc(OCc4ccccc4)c3)CC[C@@H]2N1CCc1ccccc1F ZINC000014995534 526993882 /nfs/dbraw/zinc/99/38/82/526993882.db2.gz ZNOIHWDDEUEMDL-UHSQPCAPSA-N 1 0 472.604 5.460 50 0 JKAARO 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OC(c1ccc(C[N@@H+](Cc2ccccc2)C[C@@H]2CCCO2)o1)(c1cccs1)c1cccs1 ZINC000036157317 527503865 /nfs/dbraw/zinc/50/38/65/527503865.db2.gz BFNTZSRICBOPDD-NRFANRHFSA-N 1 0 465.640 5.868 50 0 JKAARO O=C(NC1CCCCC1)C1CC[NH+](Cc2cc3ccccc3n2Cc2cccc(Cl)c2)CC1 ZINC000046055651 527512382 /nfs/dbraw/zinc/51/23/82/527512382.db2.gz VQDAKKZACDYOQO-UHFFFAOYSA-N 1 0 464.053 6.004 50 0 JKAARO O=C(NC1CCCCCC1)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000046055932 527518319 /nfs/dbraw/zinc/51/83/19/527518319.db2.gz PVOVWRYCIXRYTO-UHFFFAOYSA-N 1 0 461.625 5.880 50 0 JKAARO O=C(NC1CCCCCCC1)C1CC[NH+](Cc2cc3ccccc3n2Cc2cccc(Cl)c2)CC1 ZINC000046055591 527519924 /nfs/dbraw/zinc/51/99/24/527519924.db2.gz PRZXDNXNOAJJID-UHFFFAOYSA-N 1 0 492.107 6.784 50 0 JKAARO Cc1nn(-c2ccc(C)cc2)c2nc(C)cc(C(=O)NCC3CC[NH+](Cc4cc(C)ccc4C)CC3)c12 ZINC000020516818 527522778 /nfs/dbraw/zinc/52/27/78/527522778.db2.gz SGGDVMQVBSHFHJ-UHFFFAOYSA-N 1 0 495.671 5.605 50 0 JKAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(Nc2ncc(-c3cccc(F)c3)cn2)cc1 ZINC000033126447 527531160 /nfs/dbraw/zinc/53/11/60/527531160.db2.gz FSZAZYFFKSPHCT-UHFFFAOYSA-N 1 0 481.575 5.421 50 0 JKAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(Nc2cc(-c3ccc(F)cc3)ncn2)cc1 ZINC000033261209 527531498 /nfs/dbraw/zinc/53/14/98/527531498.db2.gz JNDJZPBHGFXWII-UHFFFAOYSA-N 1 0 481.575 5.421 50 0 JKAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cc(-c2ccncc2)nc2ccc(Cl)cc21 ZINC000020522479 527531733 /nfs/dbraw/zinc/53/17/33/527531733.db2.gz HGNKPMCVRMVSIK-UHFFFAOYSA-N 1 0 456.977 5.345 50 0 JKAARO Cn1nc(-c2ccccc2)c(C[N@H+](C[C@H](O)COC(C)(C)C)CC2CC2)c1Oc1cccc(F)c1 ZINC000036307338 527538075 /nfs/dbraw/zinc/53/80/75/527538075.db2.gz QNMXQORYVFIWJA-QHCPKHFHSA-N 1 0 481.612 5.407 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1C[N@H+](CC(C)C)C[C@@H](O)COC(C)C ZINC000036303965 527548369 /nfs/dbraw/zinc/54/83/69/527548369.db2.gz ACOAMFZBUDDCJG-HSZRJFAPSA-N 1 0 487.591 5.495 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2ccc(Cl)cc2)c1C[N@@H+](C[C@@H](O)COC(C)C)C(C)C ZINC000036303691 527549148 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LSWJZFWNQLWHGG-UHFFFAOYSA-N 1 0 477.052 5.521 50 0 JKAARO O=C(NCCC(c1ccccc1)c1ccccc1)[C@@H]1CC12CC[NH+](Cc1cccc3ncccc13)CC2 ZINC000020272614 527618360 /nfs/dbraw/zinc/61/83/60/527618360.db2.gz BBLFJNVCGLAZMM-PMERELPUSA-N 1 0 489.663 6.175 50 0 JKAARO O=C(NCCC(c1ccccc1)c1ccccc1)[C@H]1CC12CC[NH+](Cc1cc3ccccc3[nH]1)CC2 ZINC000012338101 527618748 /nfs/dbraw/zinc/61/87/48/527618748.db2.gz DQMYOSAGBNJBHO-GDLZYMKVSA-N 1 0 477.652 6.108 50 0 JKAARO O=C(NCCC1=CCCCC1)C1CC[NH+](Cc2cc3ccccc3n2Cc2cccc(Cl)c2)CC1 ZINC000046055641 527623331 /nfs/dbraw/zinc/62/33/31/527623331.db2.gz FQEJKHSEPOMELV-UHFFFAOYSA-N 1 0 490.091 6.562 50 0 JKAARO O=C(NCCC[NH+]1CCCC1)c1ccc(Oc2nccnc2Sc2ccc(Cl)cc2)cc1 ZINC000033139911 527661696 /nfs/dbraw/zinc/66/16/96/527661696.db2.gz YMRRZIVTWLRAOF-UHFFFAOYSA-N 1 0 469.010 5.289 50 0 JKAARO O=C(NCCC[NH+]1CCCCCC1)c1cccc([C@H]2CCCN(C(=O)Nc3ccccc3)C2)c1 ZINC000033035776 527665710 /nfs/dbraw/zinc/66/57/10/527665710.db2.gz WITZWFHLBMYXNH-VWLOTQADSA-N 1 0 462.638 5.094 50 0 JKAARO COc1ccc(Cn2cc([C@@H](CC(=O)NCC[NH+]3CCCC3)c3ccc(F)cc3)c3ccccc32)cc1 ZINC000096275629 536587130 /nfs/dbraw/zinc/58/71/30/536587130.db2.gz VYSCVGXSZSCVRB-NDEPHWFRSA-N 1 0 499.630 5.571 50 0 JKAARO COc1ccc(Cn2cc([C@@H](CC(=O)NCC[NH+]3CCCC3)c3ccccc3F)c3ccccc32)cc1 ZINC000096277076 536587988 /nfs/dbraw/zinc/58/79/88/536587988.db2.gz XELJYUZJEAVONJ-MHZLTWQESA-N 1 0 499.630 5.571 50 0 JKAARO COc1ccc([C@H](CC(=O)NCC[NH+]2CCCC2)c2cn(Cc3ccc(C)cc3)c3ccccc23)cc1 ZINC000096275473 536909797 /nfs/dbraw/zinc/90/97/97/536909797.db2.gz AGUUAIKHLSCGPF-LJAQVGFWSA-N 1 0 495.667 5.741 50 0 JKAARO O=C1C2=C(C(c3ccccc3)=[NH+]CCN2)[C@@H](c2cccc(F)c2)N1c1cccc(C(F)(F)F)c1 ZINC000000843899 553794464 /nfs/dbraw/zinc/79/44/64/553794464.db2.gz OIPLTXYCDZCFOH-XMMPIXPASA-N 1 0 465.450 5.279 50 0 JKAARO CCC(=C(c1ccc(OC)cc1)c1ccc(OC)cc1)c1cn(CC[NH+](C)C)c2ccccc12 ZINC000001269412 553938867 /nfs/dbraw/zinc/93/88/67/553938867.db2.gz QOISPUOYQWFIQC-UHFFFAOYSA-N 1 0 454.614 6.589 50 0 JKAARO CC(C)(C)c1ccc(CSc2nnc(-c3cc[n+](Cc4ccc(C(C)(C)C)cc4)cc3)n2N)cc1 ZINC000001791860 553990896 /nfs/dbraw/zinc/99/08/96/553990896.db2.gz FDKQSHUSNWQQCA-UHFFFAOYSA-N 1 0 486.709 5.882 50 0 JKAARO Cc1cc(Oc2coc3cc(OC[C@@H](O)C[NH+]4CCC(C)CC4)ccc3c2=O)cc(C)c1Cl ZINC000001811010 553992248 /nfs/dbraw/zinc/99/22/48/553992248.db2.gz JIDYKFZROIDTLF-IBGZPJMESA-N 1 0 471.981 5.327 50 0 JKAARO Cc1cccc(Oc2c(=O)c3ccc(OC[C@H](O)C[NH+]4CCC(C)CC4)cc3oc2C(F)(F)F)c1 ZINC000001811014 553992273 /nfs/dbraw/zinc/99/22/73/553992273.db2.gz WJEAZGWAJLCRMJ-GOSISDBHSA-N 1 0 491.506 5.384 50 0 JKAARO Cc1cc(Oc2coc3cc(OC[C@@H](O)C[N@@H+](C)Cc4ccccc4)ccc3c2=O)cc(C)c1Cl ZINC000001811017 553992291 /nfs/dbraw/zinc/99/22/91/553992291.db2.gz AZGZIBHELOPTBC-NRFANRHFSA-N 1 0 493.987 5.727 50 0 JKAARO Cc1cc(Oc2coc3cc(OC[C@H](O)C[NH+]4CCC(C)CC4)ccc3c2=O)cc(C)c1Cl ZINC000001811009 553992374 /nfs/dbraw/zinc/99/23/74/553992374.db2.gz JIDYKFZROIDTLF-LJQANCHMSA-N 1 0 471.981 5.327 50 0 JKAARO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@H]3c1ccc(OC)c(Cn2nc(C)c(Br)c2C)c1 ZINC000002119028 554054724 /nfs/dbraw/zinc/05/47/24/554054724.db2.gz OZGLKHKJHYJQCW-DEOSSOPVSA-N 1 0 495.421 5.044 50 0 biogenic JKAARO COc1cccc(-c2nc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc3c4ccccc4[nH]c32)c1 ZINC000002122310 554056461 /nfs/dbraw/zinc/05/64/61/554056461.db2.gz LMJRLYCEXRZQQW-UHFFFAOYSA-N 1 0 490.607 5.786 50 0 biogenic JKAARO O=C(N[C@H](OC[C@H]1CCC[N@@H+]2CCCC[C@H]12)C(Cl)(Cl)Cl)c1cccc(Cl)c1 ZINC000002137024 554062374 /nfs/dbraw/zinc/06/23/74/554062374.db2.gz DWGJOEKNMCQDLE-QGPMSJSTSA-N 1 0 454.225 5.047 50 0 JKAARO COc1cc(C[NH2+][C@@H](C)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000002177976 554078099 /nfs/dbraw/zinc/07/80/99/554078099.db2.gz XXGUPXQSXBWVLA-INIZCTEOSA-N 1 0 460.799 6.541 50 0 JKAARO COc1cc(C[NH2+][C@H](C)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000002177977 554078131 /nfs/dbraw/zinc/07/81/31/554078131.db2.gz XXGUPXQSXBWVLA-MRXNPFEDSA-N 1 0 460.799 6.541 50 0 JKAARO CC[NH+](CC)CCCNC(=O)c1cc2nc(-c3ccc(Cl)c(Cl)c3)cc(C(F)(F)F)n2n1 ZINC000002216562 554098249 /nfs/dbraw/zinc/09/82/49/554098249.db2.gz GFVYHLFNAGPHKL-UHFFFAOYSA-N 1 0 488.341 5.184 50 0 JKAARO CSc1nc2c3c4c(c(C(C)C)nc3sc2c(SCC[NH+]2CCCCC2)n1)CCC4 ZINC000002405343 554188349 /nfs/dbraw/zinc/18/83/49/554188349.db2.gz DEGGZLAYPNAWPS-UHFFFAOYSA-N 1 0 458.722 6.152 50 0 JKAARO CCOCC1=C(c2ccccc2)[N@@H+](C2CCCCC2)C[C@@H](C(=O)c2ccccc2)[C@H]1c1ccccc1 ZINC000002591402 554238813 /nfs/dbraw/zinc/23/88/13/554238813.db2.gz WJXGFINEXFJDLP-BVRKHOPBSA-N 1 0 479.664 7.365 50 0 JKAARO CC(C)(c1ccccc1)c1ccc(OC[C@H](O)C[N@H+](Cc2ccco2)Cc2ccccc2)cc1 ZINC000002631308 554253190 /nfs/dbraw/zinc/25/31/90/554253190.db2.gz YTNFNZQJCWOMJI-HHHXNRCGSA-N 1 0 455.598 6.048 50 0 JKAARO Cc1ccc(-n2c(SCC(=O)NC[C@@H](c3ccccc3)[NH+](C)C)nnc2-c2ccccc2)cc1C ZINC000002638965 554258916 /nfs/dbraw/zinc/25/89/16/554258916.db2.gz HMGCZKSNLGJLAI-VWLOTQADSA-N 1 0 485.657 5.062 50 0 JKAARO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)cc1 ZINC000002643045 554261560 /nfs/dbraw/zinc/26/15/60/554261560.db2.gz VJUCHMDKYBGFJT-UHFFFAOYSA-N 1 0 483.534 5.696 50 0 JKAARO Cc1sc(NC(=O)c2ccco2)c([C@H](c2ccc3c(c2)OCCO3)[N@@H+]2C[C@H](C)C[C@H](C)C2)c1C ZINC000002659607 554273739 /nfs/dbraw/zinc/27/37/39/554273739.db2.gz XRXVBSQYFGNTKU-QLODZENZSA-N 1 0 480.630 6.049 50 0 JKAARO O=C([C@H]1CCC[N@@H+](Cc2cccc(Br)c2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000002734916 554318889 /nfs/dbraw/zinc/31/88/89/554318889.db2.gz PPWMVZLWOMZRIF-QHCPKHFHSA-N 1 0 455.440 5.142 50 0 JKAARO CCn1cc(-c2cc(C(=O)Nc3nc4ccccc4n3CC[NH+](CC)CC)c3ccccc3n2)cn1 ZINC000002804481 554355201 /nfs/dbraw/zinc/35/52/01/554355201.db2.gz BXVPAFDBAJPWKO-UHFFFAOYSA-N 1 0 481.604 5.062 50 0 JKAARO Cc1ccc(-c2nc(N(c3ccccc3)c3ccccc3)s[n+]2CS(=O)(=O)c2ccccc2)cc1 ZINC000002905522 554410661 /nfs/dbraw/zinc/41/06/61/554410661.db2.gz IHQOMNGPQQHEDJ-UHFFFAOYSA-N 1 0 498.653 6.307 50 0 JKAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)COc1ccc(-c2nc3ccccc3s2)cc1 ZINC000003242103 554435943 /nfs/dbraw/zinc/43/59/43/554435943.db2.gz IKEPIUNMNPFVMF-DHLKQENFSA-N 1 0 469.610 5.485 50 0 JKAARO Cc1ccc(Cl)cc1N1CC[NH+](CCCNC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000004791787 554479772 /nfs/dbraw/zinc/47/97/72/554479772.db2.gz XIBZRRBVEUWMPD-UHFFFAOYSA-N 1 0 454.924 5.001 50 0 JKAARO O[C@@H](C[NH2+]Cc1ccco1)Cn1c(-c2ccccc2)c(-c2ccccc2)c2ccc3ccccc3c21 ZINC000008432035 554585052 /nfs/dbraw/zinc/58/50/52/554585052.db2.gz RYVUHZJKNGXKGM-SANMLTNESA-N 1 0 472.588 6.872 50 0 JKAARO COc1cc2c(cc1OC)C(/C=C1\SC(C(=O)c3ccccc3)=NN1c1ccc(C)cc1)=[NH+]CC2 ZINC000008438082 554589009 /nfs/dbraw/zinc/58/90/09/554589009.db2.gz MDIIUYYLFREESR-ONUIUJJFSA-N 1 0 483.593 5.649 50 0 JKAARO O=C(Nc1ccc(C(=O)OC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1)c1cccc(Br)c1 ZINC000008456313 554600449 /nfs/dbraw/zinc/60/04/49/554600449.db2.gz VCPJOSLAPPPDGI-SIKLNZKXSA-N 1 0 471.395 5.123 50 0 JKAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(Sc2ccc(Cl)cc2)nc2ccccc21 ZINC000008583226 554601024 /nfs/dbraw/zinc/60/10/24/554601024.db2.gz LRBROXMJIZREQI-GOSISDBHSA-N 1 0 454.039 6.034 50 0 JKAARO Cc1oc(-c2cccc(Br)c2)nc1C[NH+]1CCC(C(=O)NCc2ccc(C)cc2)CC1 ZINC000008583162 554601058 /nfs/dbraw/zinc/60/10/58/554601058.db2.gz PBIONNQVDLXJGN-UHFFFAOYSA-N 1 0 482.422 5.249 50 0 JKAARO Cc1ccc(-c2nnc(-c3ccc(C(=O)NC4CC[NH+](Cc5ccccc5)CC4)cc3)o2)cc1 ZINC000008756457 554658536 /nfs/dbraw/zinc/65/85/36/554658536.db2.gz VDAQXKHROPBJLP-UHFFFAOYSA-N 1 0 452.558 5.106 50 0 JKAARO COc1ccccc1NC(=O)c1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc3c(c2)CCCC3)cc1 ZINC000008762975 554662850 /nfs/dbraw/zinc/66/28/50/554662850.db2.gz DGGQTYFITYCABS-WOJBJXKFSA-N 1 0 471.601 5.504 50 0 JKAARO C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](OC(=O)CC[N@@H+]5CCCC(C)(C)C5)CC[C@@]43C)[C@@H]1CCC2=O ZINC000008789233 554681581 /nfs/dbraw/zinc/68/15/81/554681581.db2.gz GIIVITVBAYMKJG-IWIWXMQLSA-N 1 0 457.699 6.022 50 0 biogenic JKAARO CCC[NH+](CCC)CCCNC(=O)c1ccc(Sc2ccc(Cl)cc2)c(NC(C)=O)c1 ZINC000008811433 554692610 /nfs/dbraw/zinc/69/26/10/554692610.db2.gz KEDUAJSZZDNGMD-UHFFFAOYSA-N 1 0 462.059 5.692 50 0 JKAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(Sc2cccc(Cl)c2)nc2ccccc21 ZINC000008812690 554694157 /nfs/dbraw/zinc/69/41/57/554694157.db2.gz XJTSLYFEBRLNCE-FQEVSTJZSA-N 1 0 468.066 6.424 50 0 JKAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2cc(Sc3cccc(Cl)c3)nc3ccccc32)C1 ZINC000008812681 554694165 /nfs/dbraw/zinc/69/41/65/554694165.db2.gz CKHBGZSTFDPBFD-KDURUIRLSA-N 1 0 468.066 6.137 50 0 JKAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(Sc2cccc(Cl)c2)nc2ccccc21 ZINC000008812687 554694171 /nfs/dbraw/zinc/69/41/71/554694171.db2.gz XJTSLYFEBRLNCE-HXUWFJFHSA-N 1 0 468.066 6.424 50 0 JKAARO CC[NH+](CC)CC(=O)N1N=C(c2ccco2)C[C@H]1c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000008867307 554761112 /nfs/dbraw/zinc/76/11/12/554761112.db2.gz HGENVHOJUWMFOK-VWLOTQADSA-N 1 0 467.573 5.152 50 0 JKAARO Cc1oc(-c2ccc(C(=O)NCC[NH+]3CCCC3)cc2)nc1CSc1ccc(Cl)cc1 ZINC000008911594 554800564 /nfs/dbraw/zinc/80/05/64/554800564.db2.gz NPEJFKYPFRYYSZ-UHFFFAOYSA-N 1 0 456.011 5.421 50 0 JKAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(CSc2nc3ccncc3n2Cc2ccccc2C)cc1 ZINC000008911872 554801199 /nfs/dbraw/zinc/80/11/99/554801199.db2.gz CILFLTMCNNWMSU-VWLOTQADSA-N 1 0 499.684 5.294 50 0 JKAARO Cc1ccc(CSc2nc3ccncc3n2Cc2ccc(C(=O)NCC[NH+]3CCCCC3)cc2)cc1 ZINC000008911931 554801445 /nfs/dbraw/zinc/80/14/45/554801445.db2.gz OZKJLCKEKQCZIT-UHFFFAOYSA-N 1 0 499.684 5.296 50 0 JKAARO CCCC[NH+](CCCC)CCCNC(=O)c1ccc2c(c1)sc1nc(-c3ccc(OC)cc3)cn21 ZINC000008911908 554801470 /nfs/dbraw/zinc/80/14/70/554801470.db2.gz LBGBHQMZKJDION-UHFFFAOYSA-N 1 0 492.689 6.247 50 0 JKAARO Cc1c(C(=O)NCCC[N@H+]2[C@H](C)CCC[C@@H]2C)oc2ccc3c(c12)[C@H](O)CC1(CCCCC1)O3 ZINC000008912094 554801926 /nfs/dbraw/zinc/80/19/26/554801926.db2.gz QTJSTJWVVPXYCA-SVFBPWRDSA-N 1 0 468.638 5.643 50 0 biogenic JKAARO CC[NH+](CC)CCNC(=O)c1ccc(CSc2nc3ccncc3n2Cc2cccc(C)c2)cc1 ZINC000008913291 554804918 /nfs/dbraw/zinc/80/49/18/554804918.db2.gz QKYHFWQZLZQQNX-UHFFFAOYSA-N 1 0 487.673 5.152 50 0 JKAARO COc1ccc([C@@H](CNC(=O)c2oc3cc(Br)ccc3c2C)[NH+]2CCCC2)cc1 ZINC000008916982 554811668 /nfs/dbraw/zinc/81/16/68/554811668.db2.gz AGAKGKHNNUTFCI-HXUWFJFHSA-N 1 0 457.368 5.079 50 0 JKAARO CCOc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C(C)C)C4)ccc1OC(=O)c1cccs1 ZINC000008923411 554820658 /nfs/dbraw/zinc/82/06/58/554820658.db2.gz ACPAXFXCAQQBHA-QFIPXVFZSA-N 1 0 497.642 5.623 50 0 JKAARO CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4cccc(C(F)(F)F)c4)o2)N3)C1 ZINC000008927611 554824926 /nfs/dbraw/zinc/82/49/26/554824926.db2.gz ZLVGSVVHGQEJHR-HXUWFJFHSA-N 1 0 461.509 6.222 50 0 JKAARO CCOc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](CC)C4)ccc1OC(=O)c1ccccc1 ZINC000008927659 554825142 /nfs/dbraw/zinc/82/51/42/554825142.db2.gz GEIROIAFWSNOND-QHCPKHFHSA-N 1 0 477.586 5.173 50 0 JKAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4ccc(Br)cc4)o2)N3)C1 ZINC000008927647 554825153 /nfs/dbraw/zinc/82/51/53/554825153.db2.gz JCQVZUKKULENAM-IBGZPJMESA-N 1 0 458.381 5.578 50 0 JKAARO Cc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1[C@H](C)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000008965238 554839480 /nfs/dbraw/zinc/83/94/80/554839480.db2.gz YXKAHZIMPAYJRC-HSZRJFAPSA-N 1 0 497.643 5.236 50 0 JKAARO Cc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1[C@@H](C)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000008965237 554839491 /nfs/dbraw/zinc/83/94/91/554839491.db2.gz YXKAHZIMPAYJRC-QHCPKHFHSA-N 1 0 497.643 5.236 50 0 JKAARO CCOC(=O)Nc1ccc2c(c1)N(C(=O)CC[NH2+]C13CC4CC(CC(C4)C1)C3)c1ccccc1S2 ZINC000009007739 554861136 /nfs/dbraw/zinc/86/11/36/554861136.db2.gz LYKXBCLPTBVDCQ-UHFFFAOYSA-N 1 0 491.657 6.333 50 0 JKAARO Clc1ccc(C2=NN3[C@H](C2)c2ccccc2OC32CC[NH+](Cc3ccccc3)CC2)cc1Cl ZINC000009007743 554861235 /nfs/dbraw/zinc/86/12/35/554861235.db2.gz DQKFWDHOOJUBFA-RUZDIDTESA-N 1 0 478.423 6.529 50 0 JKAARO O=S(=O)(c1ccccc1)N(C[C@H](O)C[NH+](C1CCCCC1)C1CCCCC1)c1ccccc1 ZINC000009008559 554862769 /nfs/dbraw/zinc/86/27/69/554862769.db2.gz QCJDJAYMGZOLOV-AREMUKBSSA-N 1 0 470.679 5.210 50 0 JKAARO O=C(Cc1cccc2ccccc21)N[C@@H](OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(Cl)(Cl)Cl ZINC000009033803 554867940 /nfs/dbraw/zinc/86/79/40/554867940.db2.gz QEHNLADBQYXELH-WPYKKVEZSA-N 1 0 483.867 5.476 50 0 biogenic JKAARO C[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccc4ccccc4c3)=NN12 ZINC000009067112 554885716 /nfs/dbraw/zinc/88/57/16/554885716.db2.gz TVUYDYPAMRGARW-HSZRJFAPSA-N 1 0 462.391 5.568 50 0 JKAARO CC(=O)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)CC[N@@H+]5CCCC(C)(C)C5)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000009071310 554886276 /nfs/dbraw/zinc/88/62/76/554886276.db2.gz IQWDZXKZGAIZNS-SCJYWPNLSA-N 1 0 483.737 6.578 50 0 JKAARO CC[N@@H+]1CCc2c(sc(-n3cccc3)c2CNC(=O)Nc2cccc(Br)c2)C1 ZINC000009151117 554937081 /nfs/dbraw/zinc/93/70/81/554937081.db2.gz OMMUQGJIEOBOSE-UHFFFAOYSA-N 1 0 459.413 5.001 50 0 JKAARO CC[N@@H+]1CCc2c(sc(-n3cccc3)c2CNC(=O)Nc2ccccc2Br)C1 ZINC000009151115 554937178 /nfs/dbraw/zinc/93/71/78/554937178.db2.gz HVMUEDUCSSIVGM-UHFFFAOYSA-N 1 0 459.413 5.001 50 0 JKAARO CC[NH+]1CCC(N(Cc2cccc(OC)c2)C(=O)Nc2ccc(Br)c(C)c2)CC1 ZINC000009151174 554937393 /nfs/dbraw/zinc/93/73/93/554937393.db2.gz NAUJSSXMCXOKNK-UHFFFAOYSA-N 1 0 460.416 5.285 50 0 JKAARO Cc1ccc(CN(C(=O)Nc2cc(Cl)ccc2Cl)C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000009151167 554937398 /nfs/dbraw/zinc/93/73/98/554937398.db2.gz ACKCNJKOWBFJFB-UHFFFAOYSA-N 1 0 472.416 6.594 50 0 JKAARO C[NH+](C)CCCN(C(=O)c1ccc(Br)s1)c1nc2c(cccc2Cl)s1 ZINC000009151921 554939199 /nfs/dbraw/zinc/93/91/99/554939199.db2.gz ZHUROXQBYSNJIV-UHFFFAOYSA-N 1 0 458.834 5.372 50 0 JKAARO COc1ccc(-c2cc(=O)oc3c2ccc2c3CN(C3CC[NH+](Cc4ccccc4)CC3)CO2)cc1 ZINC000009184073 554956501 /nfs/dbraw/zinc/95/65/01/554956501.db2.gz OUQVYCZORXRUOB-UHFFFAOYSA-N 1 0 482.580 5.285 50 0 biogenic JKAARO COc1c2c(cc3c1[C@H](C[C@@H](O)c1cc4c(cc1C)C(C)(C)[C@@H](C)C4(C)C)[N@H+](C)CC3)OCO2 ZINC000009186784 554959103 /nfs/dbraw/zinc/95/91/03/554959103.db2.gz RXLGJHRPYZIAAS-MQNAVGNWSA-N 1 0 465.634 5.590 50 0 biogenic JKAARO Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2Cc4ccccc4C[N@@H+]2[C@@H]3c2ccc(Br)cc2)cc1 ZINC000009191523 554963949 /nfs/dbraw/zinc/96/39/49/554963949.db2.gz IHCCNYSQNVISOB-ZYQDXHPFSA-N 1 0 487.397 5.045 50 0 JKAARO O=C(c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1)N1CCN(c2ccccc2F)CC1 ZINC000009194898 554968551 /nfs/dbraw/zinc/96/85/51/554968551.db2.gz GWELIPVCCIQRKY-UHFFFAOYSA-N 1 0 471.620 5.243 50 0 JKAARO Cc1ccc2c(c1)[C@@H]1CC(c3ccc4ccccc4c3)=NN1C1(CC[NH+](Cc3ccccc3)CC1)O2 ZINC000009210718 554980263 /nfs/dbraw/zinc/98/02/63/554980263.db2.gz QNXKAGMAAMFJAI-PMERELPUSA-N 1 0 473.620 6.684 50 0 JKAARO Cc1oc(-c2ccc(C(=O)NCCC[N@@H+]3CCc4ccccc4C3)cc2)nc1COc1ccccc1 ZINC000009211860 554981684 /nfs/dbraw/zinc/98/16/84/554981684.db2.gz BZPXBSCBZIUUCB-UHFFFAOYSA-N 1 0 481.596 5.407 50 0 JKAARO CCCC[NH+](CCCC)CCCNC(=O)c1c(C)nn(-c2ccc(F)cc2)c1-n1cccc1 ZINC000009211695 554981776 /nfs/dbraw/zinc/98/17/76/554981776.db2.gz LTDCVGKYHRADBX-UHFFFAOYSA-N 1 0 453.606 5.133 50 0 JKAARO CC[NH+](CC)CCCNC(=O)c1ccc(N2Cc3cccc(OC)c3Oc3ncccc32)s1 ZINC000009229147 555003226 /nfs/dbraw/zinc/00/32/26/555003226.db2.gz FKJUWFFFWNZGQS-UHFFFAOYSA-N 1 0 466.607 5.057 50 0 JKAARO O=C(NCCC[NH+]1CCC(Cc2ccccc2)CC1)c1ccc(N2CCc3ccccc32)s1 ZINC000009229179 555003482 /nfs/dbraw/zinc/00/34/82/555003482.db2.gz KNNQVBTZXWGTKL-UHFFFAOYSA-N 1 0 459.659 5.517 50 0 JKAARO COc1ccc(C2=NN3[C@@H](C2)c2ccccc2OC32CC[NH+](Cc3ccccc3)CC2)c(OC)c1 ZINC000009272096 555044725 /nfs/dbraw/zinc/04/47/25/555044725.db2.gz BDONBCDVWUSJHH-SANMLTNESA-N 1 0 469.585 5.240 50 0 JKAARO C[C@@H]1CCC[C@H](C)[N@H+]1CCCNC(=O)c1[nH]c2ccccc2c1Sc1ccc(Cl)cc1 ZINC000009288164 555061736 /nfs/dbraw/zinc/06/17/36/555061736.db2.gz ASGZCQXXTGFITJ-HDICACEKSA-N 1 0 456.055 6.355 50 0 JKAARO Cc1ccc2c(c1)[nH]c(C(=O)NCCC[N@@H+](C)C1CCCCC1)c2Sc1ccc(Cl)cc1 ZINC000009288297 555061941 /nfs/dbraw/zinc/06/19/41/555061941.db2.gz VTNKZGHISHJYNH-UHFFFAOYSA-N 1 0 470.082 6.665 50 0 JKAARO COc1ccc2c(c1)[nH]c(C(=O)NC1CC[NH+](Cc3ccccc3)CC1)c2Sc1ccccc1 ZINC000009288351 555062177 /nfs/dbraw/zinc/06/21/77/555062177.db2.gz CQOMZGOGLRHRSN-UHFFFAOYSA-N 1 0 471.626 5.722 50 0 JKAARO COc1ccc2c(c1)[nH]c(C(=O)NCCC[NH+]1[C@@H](C)CCC[C@@H]1C)c2Sc1ccccc1 ZINC000009288384 555062242 /nfs/dbraw/zinc/06/22/42/555062242.db2.gz GZTRPQZLMIPLCF-OALUTQOASA-N 1 0 451.636 5.711 50 0 JKAARO COc1ccc2c(c1)[nH]c(C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c2Sc1ccc(Cl)cc1 ZINC000009288633 555062454 /nfs/dbraw/zinc/06/24/54/555062454.db2.gz WKWDVMVZCOUIBD-HDICACEKSA-N 1 0 486.081 6.079 50 0 JKAARO COc1ccc2c(c1)[nH]c(C(=O)NCCC[NH+]1[C@H](C)CCC[C@H]1C)c2Sc1ccc(Cl)cc1 ZINC000009288668 555062719 /nfs/dbraw/zinc/06/27/19/555062719.db2.gz NYVIYABETYSBAF-QZTJIDSGSA-N 1 0 486.081 6.364 50 0 JKAARO CC[NH+](CC)CCCNC(=O)CN1C(=O)c2ccccc2[C@H]1c1c2ccccc2[nH]c1-c1ccccc1 ZINC000009289539 555063846 /nfs/dbraw/zinc/06/38/46/555063846.db2.gz XCNZIBVEQMHSQF-PMERELPUSA-N 1 0 494.639 5.228 50 0 JKAARO Clc1cccc(-c2nc(N3CCC([NH+]4CCCCC4)CC3)nc3c2COc2ccccc2-3)c1 ZINC000009289928 555064414 /nfs/dbraw/zinc/06/44/14/555064414.db2.gz YQSSYFQDWSYNMR-UHFFFAOYSA-N 1 0 461.009 5.811 50 0 JKAARO c1ccc2c(c1)CCC[C@H]2[NH+]1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccncc3)=NN12 ZINC000009292249 555067323 /nfs/dbraw/zinc/06/73/23/555067323.db2.gz XVPXUUXMIRFENY-SXOMAYOGSA-N 1 0 450.586 5.495 50 0 JKAARO COc1cc(C)c2c(n1)c(N[C@@H](C)CCC[NH3+])cc(OC)c2Oc1cccc(C(F)(F)F)c1 ZINC000009294040 555069648 /nfs/dbraw/zinc/06/96/48/555069648.db2.gz LBHLFPGPEGDCJG-HNNXBMFYSA-N 1 0 463.500 5.911 50 0 investigational JKAARO COc1cccc2c1OC1(CC[NH+](C(C)C)CC1)N1N=C(c3ccc(Cl)c(Cl)c3)C[C@H]21 ZINC000009334083 555101875 /nfs/dbraw/zinc/10/18/75/555101875.db2.gz YVHANBOJQHXEHR-OAQYLSRUSA-N 1 0 460.405 5.746 50 0 JKAARO COc1ccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2ccc(C(C)C)cc2)N2NC=NC2=N3)c(OC)c1 ZINC000009345200 555110901 /nfs/dbraw/zinc/11/09/01/555110901.db2.gz JJGBWEFTVBXQRK-NSOVKSMOSA-N 1 0 480.568 5.631 50 0 JKAARO C[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccc(Br)s3)=NN12 ZINC000009347650 555113574 /nfs/dbraw/zinc/11/35/74/555113574.db2.gz NAYFVVLWFNGACI-HNNXBMFYSA-N 1 0 497.256 5.239 50 0 JKAARO COc1ccc(-c2cn3c4ccc(C(=O)NCCC[NH+]5[C@@H](C)CCC[C@@H]5C)cc4sc3n2)cc1 ZINC000009406441 555166696 /nfs/dbraw/zinc/16/66/96/555166696.db2.gz FQCQURDJSUIYBE-OALUTQOASA-N 1 0 476.646 5.607 50 0 JKAARO CCOc1ccc(-c2cn3c4ccc(C(=O)NCCC[NH+]5C[C@H](C)C[C@@H](C)C5)cc4sc3n2)cc1 ZINC000009406637 555167126 /nfs/dbraw/zinc/16/71/26/555167126.db2.gz AJDVGMWBTYSPEP-WOJBJXKFSA-N 1 0 490.673 5.713 50 0 JKAARO CC[C@H](C)[N@H+](CCNC(=O)c1ccc2c(c1)sc1nc(-c3ccc(F)cc3)cn21)C1CCCCC1 ZINC000009406593 555167129 /nfs/dbraw/zinc/16/71/29/555167129.db2.gz VFLZFPMIWBONPT-IBGZPJMESA-N 1 0 492.664 6.518 50 0 JKAARO CCOc1ccc(-c2cn3c4ccc(C(=O)NCCC[N@H+]5[C@H](C)CCC[C@@H]5C)cc4sc3n2)cc1 ZINC000009406639 555167132 /nfs/dbraw/zinc/16/71/32/555167132.db2.gz JUBVRIFMNPOUAC-BGYRXZFFSA-N 1 0 490.673 5.998 50 0 JKAARO CCOc1ccc(-c2cn3c4ccc(C(=O)NCCC[NH+]5[C@H](C)CCC[C@H]5C)cc4sc3n2)cc1 ZINC000009406641 555167190 /nfs/dbraw/zinc/16/71/90/555167190.db2.gz JUBVRIFMNPOUAC-WOJBJXKFSA-N 1 0 490.673 5.998 50 0 JKAARO CC[C@@H](C)[N@H+](CCNC(=O)c1ccc2c(c1)sc1nc(-c3ccc(F)cc3)cn21)C1CCCCC1 ZINC000009406592 555167216 /nfs/dbraw/zinc/16/72/16/555167216.db2.gz VFLZFPMIWBONPT-LJQANCHMSA-N 1 0 492.664 6.518 50 0 JKAARO CC[C@@H](C)[N@H+](CCNC(=O)c1cc2c(s1)-c1ccc(Cl)cc1SC2)Cc1ccco1 ZINC000009407783 555169458 /nfs/dbraw/zinc/16/94/58/555169458.db2.gz GKKYDGJWZPAXLZ-OAHLLOKOSA-N 1 0 461.052 6.298 50 0 JKAARO CC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC[C@H](O)C[NH2+]CCc3ccccc3)cc21 ZINC000009408664 555171564 /nfs/dbraw/zinc/17/15/64/555171564.db2.gz WZILFJQNQUQCPP-RUZDIDTESA-N 1 0 456.586 5.022 50 0 JKAARO CC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC[C@H](O)C[NH2+]CCc3ccccc3C)cc21 ZINC000009408668 555171624 /nfs/dbraw/zinc/17/16/24/555171624.db2.gz XKXPPEPKWUNJOT-AREMUKBSSA-N 1 0 470.613 5.330 50 0 JKAARO CCOc1ccccc1C[NH2+]C[C@@H](O)COc1ccc2c(c1)c(C(C)=O)c(C)n2-c1ccc(C)cc1 ZINC000009409349 555174136 /nfs/dbraw/zinc/17/41/36/555174136.db2.gz XFOCIDRBBPJOQI-RUZDIDTESA-N 1 0 486.612 5.378 50 0 JKAARO CCOc1cc(C(=O)N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)cc(OCC)c1OCC ZINC000009457179 555226469 /nfs/dbraw/zinc/22/64/69/555226469.db2.gz DCYHZSRSIUSGGI-UHFFFAOYSA-N 1 0 494.554 5.250 50 0 JKAARO CC[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccc(OC(F)F)cc3)=NN12 ZINC000009461779 555229925 /nfs/dbraw/zinc/22/99/25/555229925.db2.gz MXUAEZSFZFSINL-FQEVSTJZSA-N 1 0 492.364 5.406 50 0 JKAARO Brc1ccc2c(c1)[C@H]1CC(c3cccnc3)=NN1C1(CC[NH+](Cc3ccccc3)CC1)O2 ZINC000009462170 555230893 /nfs/dbraw/zinc/23/08/93/555230893.db2.gz KJBPIWDCISRJNO-XMMPIXPASA-N 1 0 489.417 5.380 50 0 JKAARO CC[NH+](CC)CCN(C(=O)CCCSc1ccccc1)c1nc2c(cc(F)cc2F)s1 ZINC000009472848 555255694 /nfs/dbraw/zinc/25/56/94/555255694.db2.gz IXSQIQPZMKHJBW-UHFFFAOYSA-N 1 0 463.619 5.822 50 0 JKAARO Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(C[NH+]4CCCC4)cc3)n2Cc2ccco2)c1 ZINC000009484352 555262074 /nfs/dbraw/zinc/26/20/74/555262074.db2.gz FMQWWSPPPIWAOY-UHFFFAOYSA-N 1 0 487.629 5.221 50 0 JKAARO CC[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3cc(C)ccc3C)=NN12 ZINC000009499469 555284035 /nfs/dbraw/zinc/28/40/35/555284035.db2.gz ONNVCNWTEDLDFO-QFIPXVFZSA-N 1 0 454.412 5.421 50 0 JKAARO Cc1ccc2nc3sc(C(=O)NCC4CC[NH+](Cc5ccc(Cl)cc5)CC4)cc3cc2c1 ZINC000009528743 555322573 /nfs/dbraw/zinc/32/25/73/555322573.db2.gz FJKQIVHXKWIJEP-UHFFFAOYSA-N 1 0 464.034 6.053 50 0 JKAARO C[C@@H]1CCC[C@@H](C)[NH+]1CCCNC(=O)c1cc(Sc2ccc(Cl)cc2)nc2ccccc21 ZINC000009546374 555341558 /nfs/dbraw/zinc/34/15/58/555341558.db2.gz OGSZEJYMNPPRSD-RTBURBONSA-N 1 0 468.066 6.422 50 0 JKAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2cc(Sc3ccc(F)cc3)nc3ccccc32)C1 ZINC000009546377 555341600 /nfs/dbraw/zinc/34/16/00/555341600.db2.gz AVGCMNHQXXPVAG-KDURUIRLSA-N 1 0 451.611 5.623 50 0 JKAARO C[C@H]1CCC[C@H](C)[NH+]1CCCNC(=O)c1cc(Sc2ccc(F)cc2)nc2ccccc21 ZINC000009546382 555341623 /nfs/dbraw/zinc/34/16/23/555341623.db2.gz QRJLVXBTVLNUTF-OALUTQOASA-N 1 0 451.611 5.908 50 0 JKAARO CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC[C@@H](O)C[N@@H+]3CCCC[C@@H]3C)cc21 ZINC000009546581 555342307 /nfs/dbraw/zinc/34/23/07/555342307.db2.gz MTJUAQXHZQBOCH-REWPJTCUSA-N 1 0 464.606 5.038 50 0 JKAARO CCCOc1ccc([C@@H]2[NH2+]C[C@H](c3cccc(OC)c3OC)c3c4ccccc4[nH]c32)cc1OC ZINC000013145652 555343150 /nfs/dbraw/zinc/34/31/50/555343150.db2.gz QVDFNNCSZWTCHY-ZBLYBZFDSA-N 1 0 472.585 5.807 50 0 JKAARO CCOC(=O)c1c(-c2ccc(-c3ccccc3)cc2)csc1NC(=O)CC[NH+]1CCCCCC1 ZINC000009637449 555345048 /nfs/dbraw/zinc/34/50/48/555345048.db2.gz QELPKZJKYDCFJY-UHFFFAOYSA-N 1 0 476.642 6.463 50 0 JKAARO COC(=O)c1c2c(sc1NC(=O)c1cccc(Oc3ccccc3)c1)C(C)(C)[NH2+]C(C)(C)C2 ZINC000009639723 555349064 /nfs/dbraw/zinc/34/90/64/555349064.db2.gz MNIJCBUUPSLECM-UHFFFAOYSA-N 1 0 464.587 5.739 50 0 JKAARO c1ccc(C[NH+]2CCN(c3nc(CSc4ccccc4)nc4sc5c(c43)CCCC5)CC2)cc1 ZINC000013149695 555353585 /nfs/dbraw/zinc/35/35/85/555353585.db2.gz JZDORMINJLRDPW-UHFFFAOYSA-N 1 0 486.710 6.185 50 0 JKAARO COc1ccc2nc3sc(C(=O)NCC4CC[NH+](Cc5cccc(C)c5)CC4)cc3cc2c1 ZINC000009561549 555359687 /nfs/dbraw/zinc/35/96/87/555359687.db2.gz RFLVTOLSMYCVPB-UHFFFAOYSA-N 1 0 459.615 5.409 50 0 JKAARO CCCC[NH+]1CCN(C(=O)c2cc(-c3ccc(C)c(C)c3)nc3ccc(Br)cc32)CC1 ZINC000013321681 555376037 /nfs/dbraw/zinc/37/60/37/555376037.db2.gz KIOHAJYUOOROMU-UHFFFAOYSA-N 1 0 480.450 5.839 50 0 JKAARO Cn1cc(C[NH+]2CCC(C(=O)N3CCC(Cc4ccccc4)CC3)CC2)c2cc(Cl)ccc21 ZINC000013357476 555384311 /nfs/dbraw/zinc/38/43/11/555384311.db2.gz WDOPLFNPUUAXMA-UHFFFAOYSA-N 1 0 464.053 5.525 50 0 JKAARO Cn1c2ccccc2c2c1c(=O)n(C1CCCCC1)cc2C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000009674061 555398611 /nfs/dbraw/zinc/39/86/11/555398611.db2.gz LBIPCWJBYFOMQB-UHFFFAOYSA-N 1 0 484.644 5.250 50 0 JKAARO CC[NH+](CC)CCNC(=O)c1ccc2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc2c1 ZINC000009589332 555402427 /nfs/dbraw/zinc/40/24/27/555402427.db2.gz ZBHNFZYHBDWRKO-UHFFFAOYSA-N 1 0 460.528 5.314 50 0 JKAARO CC[NH+](CC)CCCNC(=O)c1ccc2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc2c1 ZINC000009589328 555402474 /nfs/dbraw/zinc/40/24/74/555402474.db2.gz DZVKJHBKHUREND-UHFFFAOYSA-N 1 0 474.555 5.704 50 0 JKAARO COc1ccc(Nc2cc(C(=O)NCCC[NH+](CC(C)C)CC(C)C)c3ccccc3n2)c(OC)c1 ZINC000009680690 555408602 /nfs/dbraw/zinc/40/86/02/555408602.db2.gz QZWVREZTODKKKH-UHFFFAOYSA-N 1 0 492.664 5.730 50 0 JKAARO CCCCCC[C@](O)(c1ccc(Br)cc1)[C@@H](C[NH2+]CCCCO)c1ccccc1 ZINC000013497204 555412819 /nfs/dbraw/zinc/41/28/19/555412819.db2.gz YMKLQAMJYGSGIO-DQEYMECFSA-N 1 0 462.472 5.753 50 0 JKAARO Cc1cc2c(cc1S(=O)(=O)NCc1ccc(C[NH+]3CCCCCC3)o1)[nH]c1c2C(=O)CC(C)(C)C1 ZINC000009685628 555414203 /nfs/dbraw/zinc/41/42/03/555414203.db2.gz CMOKPUMYQPCFHD-UHFFFAOYSA-N 1 0 497.661 5.079 50 0 JKAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)CCC(=O)Nc1ccc2nc(N3CCCCC3)cc(C)c2c1 ZINC000009598001 555415483 /nfs/dbraw/zinc/41/54/83/555415483.db2.gz RQQMKYGKHAFSFO-XMMPIXPASA-N 1 0 493.696 5.023 50 0 JKAARO C[N@H+](CCCNC(=O)CSc1c2cc(Cl)ccc2nc2c1CCCC2)Cc1ccccc1 ZINC000009693739 555422935 /nfs/dbraw/zinc/42/29/35/555422935.db2.gz RDQVANXHFDRMLY-UHFFFAOYSA-N 1 0 468.066 5.497 50 0 JKAARO O=C(CSc1c2cc(Cl)ccc2nc2c1CCCC2)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000009693757 555422959 /nfs/dbraw/zinc/42/29/59/555422959.db2.gz DXPWYBRXRNQPQQ-UHFFFAOYSA-N 1 0 480.077 5.424 50 0 JKAARO CCCC1=Nc2cc(C(=O)NCCC[NH+](CC(C)C)CC(C)C)ccc2Sc2ccc(C)cc21 ZINC000009608140 555434970 /nfs/dbraw/zinc/43/49/70/555434970.db2.gz XNOBGVBLJALIPS-UHFFFAOYSA-N 1 0 479.734 7.114 50 0 JKAARO Cc1nc2cc(-c3ccccc3)nn2c(C)c1CCC(=O)NCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000009609300 555437677 /nfs/dbraw/zinc/43/76/77/555437677.db2.gz UVQNSDFGJIQWDI-UHFFFAOYSA-N 1 0 495.671 5.017 50 0 JKAARO Cc1nn(-c2ccc(C)cc2)c2nc(C)cc(C(=O)NCC3CC[NH+](CCc4cccs4)CC3)c12 ZINC000009610452 555440977 /nfs/dbraw/zinc/44/09/77/555440977.db2.gz KXCQKKOGRXYKOK-UHFFFAOYSA-N 1 0 487.673 5.092 50 0 JKAARO COc1ccccc1Nc1c2cc(NC(=O)c3ccccc3OC)ccc2[nH+]c2c1CCCC2 ZINC000009612239 555444751 /nfs/dbraw/zinc/44/47/51/555444751.db2.gz NHQXXXFLLUAPOY-UHFFFAOYSA-N 1 0 453.542 6.127 50 0 JKAARO COc1ccc(Nc2c3cc(NC(=O)c4ccccc4Cl)ccc3[nH+]c3c2CCCC3)cc1OC ZINC000009612248 555444891 /nfs/dbraw/zinc/44/48/91/555444891.db2.gz YQTFGBNNSDVSOL-UHFFFAOYSA-N 1 0 487.987 6.780 50 0 JKAARO CCc1ccc(-c2nc(C[NH+]3CCC(C(=O)N[C@H]4CCCc5ccccc54)CC3)c(C)o2)cc1 ZINC000009731757 555468617 /nfs/dbraw/zinc/46/86/17/555468617.db2.gz SLZFZJMBNCMIAH-SANMLTNESA-N 1 0 457.618 5.618 50 0 JKAARO Cc1oc(-c2cccc(Br)c2)nc1C[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2C)CC1 ZINC000009731778 555468872 /nfs/dbraw/zinc/46/88/72/555468872.db2.gz LGMBVDGBBAEPBH-IIBYNOLFSA-N 1 0 474.443 5.319 50 0 JKAARO Cc1oc(-c2cccc(Br)c2)nc1C[NH+]1CCC(C(=O)NC2CCCCC2)CC1 ZINC000009731782 555468888 /nfs/dbraw/zinc/46/88/88/555468888.db2.gz USIQEFOBBBIBRH-UHFFFAOYSA-N 1 0 460.416 5.073 50 0 JKAARO Cc1oc(-c2cccc(Cl)c2)nc1C[NH+]1CCC(C(=O)N[C@H](C)CCc2ccccc2)CC1 ZINC000009731817 555468980 /nfs/dbraw/zinc/46/89/80/555468980.db2.gz RMSBMMXYZAXEDX-LJQANCHMSA-N 1 0 466.025 5.653 50 0 JKAARO Cc1c(C[NH2+]CC2CC[NH+](Cc3ccc(C)cc3)CC2)c(C(=O)[O-])c(C)n1Cc1cccc(C)c1 ZINC000009746573 555478421 /nfs/dbraw/zinc/47/84/21/555478421.db2.gz AIDKBAIPMGTFHW-UHFFFAOYSA-N 1 0 473.661 5.470 50 0 JKAARO Cc1c(C[NH2+]CC2CC[NH+](Cc3ccccc3C)CC2)c(C(=O)[O-])c(C)n1Cc1ccc(F)cc1 ZINC000009746699 555478467 /nfs/dbraw/zinc/47/84/67/555478467.db2.gz LCCDESKTTRVLPO-UHFFFAOYSA-N 1 0 477.624 5.301 50 0 JKAARO Cc1c(C[NH2+]CC2CC[NH+](Cc3ccc(C)cc3)CC2)c(C(=O)[O-])c(C)n1Cc1ccc(Cl)cc1 ZINC000009746790 555478758 /nfs/dbraw/zinc/47/87/58/555478758.db2.gz SEINOFZSUKDBSV-UHFFFAOYSA-N 1 0 494.079 5.815 50 0 JKAARO O=C(NCCc1c[nH]c2ccccc12)C1CC[NH+](Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC000009763593 555489142 /nfs/dbraw/zinc/48/91/42/555489142.db2.gz LUKKIMKSWQFBDZ-UHFFFAOYSA-N 1 0 467.613 5.318 50 0 JKAARO Cc1ccc(NC(=S)N(CCC[NH+]2CCCC2)Cc2cccn2Cc2ccc(Cl)cc2)cc1C ZINC000013543595 555489488 /nfs/dbraw/zinc/48/94/88/555489488.db2.gz KUNYYZPPEZEDAG-UHFFFAOYSA-N 1 0 495.136 6.492 50 0 JKAARO Cc1c2cc3c(cc2oc(=O)c1CC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)OC1(CCCCC1)CC3 ZINC000013551191 555491808 /nfs/dbraw/zinc/49/18/08/555491808.db2.gz NRALJCADMNEPRS-UHFFFAOYSA-N 1 0 480.649 5.097 50 0 JKAARO COc1ccccc1Nc1c2cc(NC(=O)C3CCC(C(C)(C)C)CC3)ccc2[nH+]c2c1CCCC2 ZINC000009777107 555495612 /nfs/dbraw/zinc/49/56/12/555495612.db2.gz VQXVFMZZIJFQND-UHFFFAOYSA-N 1 0 485.672 7.657 50 0 JKAARO COc1ccccc1Nc1c2cc(NC(=O)c3cc(Cl)ccc3OC)ccc2[nH+]c2c1CCCC2 ZINC000009777092 555495681 /nfs/dbraw/zinc/49/56/81/555495681.db2.gz ZUGXZLXYHYSXKP-UHFFFAOYSA-N 1 0 487.987 6.780 50 0 JKAARO CCCC[N@H+](CCCNC(=O)Nc1cn(CC(C)C)c(=O)c2ccccc12)Cc1ccccc1 ZINC000009777159 555495979 /nfs/dbraw/zinc/49/59/79/555495979.db2.gz WGENQBIOWKAEOK-UHFFFAOYSA-N 1 0 462.638 5.471 50 0 JKAARO O[C@H](C[NH2+]Cc1ccccc1)Cn1c2ccc(Br)cc2c2cc(Br)ccc21 ZINC000013563666 555498709 /nfs/dbraw/zinc/49/87/09/555498709.db2.gz KFFZTNPHTGLILJ-GOSISDBHSA-N 1 0 488.223 5.470 50 0 JKAARO Cc1cccc2nc(-c3ccccc3)nc(N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c12 ZINC000019890547 555529893 /nfs/dbraw/zinc/52/98/93/555529893.db2.gz CEPSOMAHMBIBMJ-UHFFFAOYSA-N 1 0 470.620 6.517 50 0 JKAARO CCCC(CCC)C(=O)Nc1ccc2c(c1)N(C(=O)CCN1CC[NH+](C)CC1)c1ccccc1CC2 ZINC000019893170 555531301 /nfs/dbraw/zinc/53/13/01/555531301.db2.gz QKVCVVOYWQFGNS-UHFFFAOYSA-N 1 0 490.692 5.242 50 0 biogenic JKAARO Cc1cc(I)ccc1NC(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000019897184 555532941 /nfs/dbraw/zinc/53/29/41/555532941.db2.gz WIOFTFFTYUOOMF-UHFFFAOYSA-N 1 0 482.365 5.410 50 0 JKAARO CCn1c2ccccc2c2cc(C[NH+]3CCN(Cc4cccc(Br)c4)CC3)ccc21 ZINC000019900184 555535430 /nfs/dbraw/zinc/53/54/30/555535430.db2.gz AFFIVBIKVYDRIN-UHFFFAOYSA-N 1 0 462.435 5.895 50 0 JKAARO O[C@@H](Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21)C[NH+]1CCN(CCc2ccccc2)CC1 ZINC000019908807 555536737 /nfs/dbraw/zinc/53/67/37/555536737.db2.gz FXOUHSZKPXSEEX-HSZRJFAPSA-N 1 0 482.455 5.323 50 0 JKAARO Cc1coc2c1cc1c(C)c(CC(=O)NCCC3CC[NH+](Cc4ccccc4)CC3)c(=O)oc1c2C ZINC000013625469 555539078 /nfs/dbraw/zinc/53/90/78/555539078.db2.gz PQQHJNHTZCAMOY-UHFFFAOYSA-N 1 0 486.612 5.425 50 0 JKAARO Cc1ccccc1N1C(=O)[C@H](Oc2ccc(Cl)cc2)[C@@H]1C[NH2+]CCc1ccc(Cl)cc1 ZINC000009835481 555540427 /nfs/dbraw/zinc/54/04/27/555540427.db2.gz KRCHTQAOGMDTEX-BJKOFHAPSA-N 1 0 455.385 5.297 50 0 JKAARO CCOc1ccc2nc(N3CCC[C@@H](C(=O)Nc4ccc(C[NH+]5CCC(C)CC5)cc4)C3)sc2c1 ZINC000009848168 555550305 /nfs/dbraw/zinc/55/03/05/555550305.db2.gz SQMKUMGGEPQYSL-JOCHJYFZSA-N 1 0 492.689 5.782 50 0 JKAARO Cc1ccc(CNC(=O)C2CC[NH+](Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)CC2)cc1 ZINC000009849612 555551672 /nfs/dbraw/zinc/55/16/72/555551672.db2.gz NCJQCKHALSDGRB-UHFFFAOYSA-N 1 0 450.667 5.824 50 0 JKAARO CCCCN(Cc1ccccc1)C(=O)C1CC[NH+](Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000009849561 555551759 /nfs/dbraw/zinc/55/17/59/555551759.db2.gz RFSYPAFDOMROQE-UHFFFAOYSA-N 1 0 456.630 6.520 50 0 JKAARO O=c1c2c3c(sc2ncn1C1CCCC1)C[C@@H]([NH2+]Cc1csc(Cc2ccccc2)n1)CC3 ZINC000019939830 555557871 /nfs/dbraw/zinc/55/78/71/555557871.db2.gz METFCJHINMHGJC-SFHVURJKSA-N 1 0 476.671 5.268 50 0 JKAARO CCC(=O)Nc1ccc(C(=O)CSc2nnc([C@@H](C)N3CCCCC3)n2-c2ccc(F)cc2)cc1 ZINC000009949980 555564685 /nfs/dbraw/zinc/56/46/85/555564685.db2.gz DOAMPWALNFXQBI-GOSISDBHSA-N 1 0 495.624 5.277 50 0 JKAARO C[C@@H]1CCC[C@@H](C)[NH+]1CCCNC(=O)CCCn1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000009969979 555567198 /nfs/dbraw/zinc/56/71/98/555567198.db2.gz MPDDYXWAEMPUPC-NHCUHLMSSA-N 1 0 467.057 5.906 50 0 JKAARO O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000010022321 555598424 /nfs/dbraw/zinc/59/84/24/555598424.db2.gz KZWMCAKYGANVSS-UHFFFAOYSA-N 1 0 469.614 5.261 50 0 JKAARO O=C1c2cccc3cccc(c32)C(=O)N1CCCN1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000020028395 555603790 /nfs/dbraw/zinc/60/37/90/555603790.db2.gz GIHPONYJEVZUJM-UHFFFAOYSA-N 1 0 487.603 5.214 50 0 JKAARO c1ccc(C[N@@H+]2[C@H](c3ccccc3)SC(c3ccccc3)(c3ccccc3)[C@@H]2c2ccccc2)cc1 ZINC000020028386 555603875 /nfs/dbraw/zinc/60/38/75/555603875.db2.gz LZBMMFQTIDLMFA-LQJZCPKCSA-N 1 0 483.680 8.619 50 0 JKAARO COc1ccc(-c2coc3c(ccc4c3CN(C3CC[NH+](Cc5ccccc5)CC3)CO4)c2=O)cc1 ZINC000013733764 555605026 /nfs/dbraw/zinc/60/50/26/555605026.db2.gz DSJMMPYEXROBTQ-UHFFFAOYSA-N 1 0 482.580 5.285 50 0 biogenic JKAARO Clc1ccc(C(c2ccc(Cl)cc2)N2CC[NH+](CCCc3c[nH]c4ccccc34)CC2)cc1 ZINC000020032646 555607796 /nfs/dbraw/zinc/60/77/96/555607796.db2.gz DNDVSDJIYJJIIE-UHFFFAOYSA-N 1 0 478.467 6.815 50 0 JKAARO Brc1ccc2c(c1)[C@@H]1CC(c3ccncc3)=NN1C1(CC[NH+](Cc3ccccc3)CC1)O2 ZINC000013750106 555608810 /nfs/dbraw/zinc/60/88/10/555608810.db2.gz GJTWBJGEHPVDAM-DEOSSOPVSA-N 1 0 489.417 5.380 50 0 JKAARO [NH2+]=C1Nc2nc3ccccc3n2[C@H](c2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)N1 ZINC000010059076 555609156 /nfs/dbraw/zinc/60/91/56/555609156.db2.gz KKRHQNSGMQFWRG-VSGBNLITSA-N 1 0 483.579 5.679 50 0 JKAARO CCOC(=O)c1c(NC(=S)Nc2ccccc2)sc2c1CC[N@H+](CCc1ccccc1)C2 ZINC000013756143 555610717 /nfs/dbraw/zinc/61/07/17/555610717.db2.gz NZDPZXCOAQRBSV-UHFFFAOYSA-N 1 0 465.644 5.335 50 0 JKAARO C[NH+](C)CC1=C(c2ccccc2)N(Nc2ccccc2)C[C@@H](C(=O)c2ccccc2)[C@@H]1c1ccccc1 ZINC000013757289 555611158 /nfs/dbraw/zinc/61/11/58/555611158.db2.gz COEQIRLCQCRSGI-FIRIVFDPSA-N 1 0 487.647 6.585 50 0 JKAARO CC[NH+](CC)CCN(C(=O)Cc1cccc2ccccc21)c1nc2cc3c(cc2s1)OCO3 ZINC000010066883 555614129 /nfs/dbraw/zinc/61/41/29/555614129.db2.gz QZDOBMLKQDNPCL-UHFFFAOYSA-N 1 0 461.587 5.096 50 0 JKAARO CC[NH+](CC)CCN(C(=O)c1cc(Cl)sc1Cl)c1nc2cc3c(cc2s1)OCCO3 ZINC000010066938 555614324 /nfs/dbraw/zinc/61/43/24/555614324.db2.gz WAAFHDGDTWFRPD-UHFFFAOYSA-N 1 0 486.446 5.424 50 0 JKAARO COc1ccc(C)c2sc(N(CCC[NH+](C)C)C(=O)c3ccc(Br)s3)nc21 ZINC000010068621 555614379 /nfs/dbraw/zinc/61/43/79/555614379.db2.gz QTEMRDICIGPOTH-UHFFFAOYSA-N 1 0 468.442 5.036 50 0 JKAARO Cc1cccc(N2CC[N@@H+](CCCNc3ncnc4onc(-c5ccc(Cl)cc5)c43)C[C@H]2C)c1 ZINC000013809684 555623995 /nfs/dbraw/zinc/62/39/95/555623995.db2.gz XSEHDBZUHIAJIP-LJQANCHMSA-N 1 0 477.012 5.259 50 0 JKAARO COc1ccc(OC)c([C@@H]2Oc3ccc(Cl)cc3C3=C2[C@@H](c2ccc(F)cc2)N2NC=NC2=N3)c1 ZINC000013811184 555627265 /nfs/dbraw/zinc/62/72/65/555627265.db2.gz VEXVRBYXMBSEMZ-RPBOFIJWSA-N 1 0 490.922 5.301 50 0 JKAARO Cc1ccc2ccccc2c1C[NH+]1CCN(c2ncnc3scc(-c4ccc(Cl)cc4)c32)CC1 ZINC000020080956 555629798 /nfs/dbraw/zinc/62/97/98/555629798.db2.gz XGTSUEHZWRNADV-UHFFFAOYSA-N 1 0 485.056 6.796 50 0 JKAARO O=C(CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)Nc1nc(-c2ccccc2)cs1 ZINC000020100893 555633799 /nfs/dbraw/zinc/63/37/99/555633799.db2.gz RSYLDRYLBKXXLG-UHFFFAOYSA-N 1 0 468.626 5.156 50 0 JKAARO COc1ccc2nc3oc(C(=O)NCCC[NH+]4CCC(Cc5ccccc5)CC4)cc3cc2c1 ZINC000020105107 555638406 /nfs/dbraw/zinc/63/84/06/555638406.db2.gz NOVMWUKXYXVVHM-UHFFFAOYSA-N 1 0 457.574 5.064 50 0 JKAARO CCCC[N@H+](C)CCCN(Cc1ccco1)C(=S)Nc1ccc(Oc2ccccc2)cc1 ZINC000020107713 555641791 /nfs/dbraw/zinc/64/17/91/555641791.db2.gz JDSZHNRGPOGYTK-UHFFFAOYSA-N 1 0 451.636 6.393 50 0 JKAARO COc1ccc(NC(=S)N(CCC[N@@H+]2CCC[C@H](C)C2)Cc2cccs2)cc1Cl ZINC000020107873 555642177 /nfs/dbraw/zinc/64/21/77/555642177.db2.gz HNGDRJJGLMEKTP-KRWDZBQOSA-N 1 0 452.089 5.731 50 0 JKAARO COc1ccc(NC(=S)N(CCC[N@@H+]2CCC[C@@H](C)C2)Cc2cccs2)cc1Cl ZINC000020107871 555642251 /nfs/dbraw/zinc/64/22/51/555642251.db2.gz HNGDRJJGLMEKTP-QGZVFWFLSA-N 1 0 452.089 5.731 50 0 JKAARO C[C@H](CCc1ccccc1)N1C(=O)C2=C(CCCC2)[C@H]1OC1CC[NH+](Cc2ccccc2)CC1 ZINC000013896780 555644284 /nfs/dbraw/zinc/64/42/84/555644284.db2.gz AXGWTWRIKVAAQZ-WVXBCFDCSA-N 1 0 458.646 5.728 50 0 JKAARO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@H]3c1ccc(OC)c(COc2ccc(Br)cc2)c1 ZINC000020112902 555650660 /nfs/dbraw/zinc/65/06/60/555650660.db2.gz XWXIBZTZTSLCSL-VWLOTQADSA-N 1 0 493.401 5.762 50 0 biogenic JKAARO Cc1cc(N2CC[NH+](C)CC2)nc2ccc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)cc12 ZINC000020114431 555652483 /nfs/dbraw/zinc/65/24/83/555652483.db2.gz YVDKIOCGSQYBND-MRXNPFEDSA-N 1 0 473.404 5.008 50 0 JKAARO O=C(NCCSCc1ccc(Cl)c(Cl)c1)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000020123816 555655464 /nfs/dbraw/zinc/65/54/64/555655464.db2.gz BGIJYLGQMUUEHI-UHFFFAOYSA-N 1 0 485.480 6.215 50 0 JKAARO CCC[NH+](CCC)CCCNC(=O)CCC(=O)Nc1ccc2nc(N3CCC(C)CC3)cc(C)c2c1 ZINC000020137970 555661461 /nfs/dbraw/zinc/66/14/61/555661461.db2.gz PBQYKCGENQUEDP-UHFFFAOYSA-N 1 0 495.712 5.127 50 0 JKAARO CCCN(C(=S)Nc1ccc2nc(N3CC[NH+](CC)CC3)cc(C)c2c1)c1ccc(CC)cc1 ZINC000020153607 555673092 /nfs/dbraw/zinc/67/30/92/555673092.db2.gz KMZQFCJULVWPOQ-UHFFFAOYSA-N 1 0 475.706 5.861 50 0 JKAARO Cc1cc(CSc2ccccc2)ccc1NC(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000020158687 555676536 /nfs/dbraw/zinc/67/65/36/555676536.db2.gz BSCGVOKSECGGMD-UHFFFAOYSA-N 1 0 478.661 7.098 50 0 JKAARO CCC[C@@H]([NH2+]Cc1c(C)n(Cc2ccc(Cl)cc2Cl)c2ccccc12)c1ccccc1 ZINC000010315460 555682273 /nfs/dbraw/zinc/68/22/73/555682273.db2.gz VSJOGYJEPHUZBW-AREMUKBSSA-N 1 0 451.441 7.936 50 0 JKAARO Brc1cc(C[NH2+]Cc2cccnc2)cc(Br)c1OCc1ccccc1 ZINC000010315528 555682283 /nfs/dbraw/zinc/68/22/83/555682283.db2.gz HQRWICIJXBOMFF-UHFFFAOYSA-N 1 0 462.185 5.475 50 0 JKAARO CC1=Nc2cc(C(=O)NCCC[N@H+]3[C@H](C)CCC[C@@H]3C)ccc2Sc2ccc(Cl)cc21 ZINC000020178892 555684346 /nfs/dbraw/zinc/68/43/46/555684346.db2.gz FSKNGZBLNIYLIQ-CALCHBBNSA-N 1 0 456.055 6.328 50 0 JKAARO CCCC[NH+](CCCC)CCCNC(=O)c1ccc2c(c1)N=C(CC)c1cc(C)ccc1S2 ZINC000020178995 555684408 /nfs/dbraw/zinc/68/44/08/555684408.db2.gz ANMJGNYOXIYKQD-UHFFFAOYSA-N 1 0 465.707 7.013 50 0 JKAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(/C=C2\Oc3ccccc3N(Cc3ccccc3F)C2=O)cc1 ZINC000020179254 555684696 /nfs/dbraw/zinc/68/46/96/555684696.db2.gz KSUJCBMNXBAIDV-IVRBHCBNSA-N 1 0 499.586 5.007 50 0 JKAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)CN1C(=O)/C(=C\c2cccc(Cl)c2)Sc2ccccc21 ZINC000020181077 555687551 /nfs/dbraw/zinc/68/75/51/555687551.db2.gz OEXJKQJAUBVFOD-QUESDIRFSA-N 1 0 484.065 5.201 50 0 JKAARO CC1CC[NH+](CCCNC(=O)CN2C(=O)/C(=C\c3cccc(Cl)c3)Sc3ccccc32)CC1 ZINC000020181063 555687567 /nfs/dbraw/zinc/68/75/67/555687567.db2.gz YPDXZKCVYJYHFF-JJIBRWJFSA-N 1 0 484.065 5.058 50 0 JKAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)CN1C(=O)/C(=C\c2cccc(Cl)c2)Sc2ccccc21 ZINC000020181074 555687577 /nfs/dbraw/zinc/68/75/77/555687577.db2.gz OEXJKQJAUBVFOD-FEQHDXENSA-N 1 0 484.065 5.201 50 0 JKAARO C[N@H+](CCCNC(=O)CN1C(=O)/C(=C/c2ccccc2F)Sc2ccccc21)C1CCCCC1 ZINC000020181222 555687949 /nfs/dbraw/zinc/68/79/49/555687949.db2.gz SFEAMBUPYGFJFE-BWAHOGKJSA-N 1 0 481.637 5.076 50 0 JKAARO CC[NH+](CC)CCCNC(=O)CN1C(=O)/C(=C\c2ccc(C(F)(F)F)cc2)Sc2ccccc21 ZINC000020181480 555688592 /nfs/dbraw/zinc/68/85/92/555688592.db2.gz CFNYYIBBIUHSBW-CJLVFECKSA-N 1 0 491.579 5.033 50 0 JKAARO CC1CC[NH+](CC(=O)N2N=C(c3ccco3)C[C@H]2c2cn(-c3ccccc3)nc2-c2ccccc2)CC1 ZINC000010435188 555709905 /nfs/dbraw/zinc/70/99/05/555709905.db2.gz ZEYBCPJIDABDPK-MHZLTWQESA-N 1 0 493.611 5.542 50 0 JKAARO COc1cc(C[NH2+]C2C3CC4CC(C3)CC2C4)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000020228385 555719028 /nfs/dbraw/zinc/71/90/28/555719028.db2.gz GGAUYRCQQKWLKT-UHFFFAOYSA-N 1 0 480.863 7.149 50 0 JKAARO O=C(NC1CC[NH+](C2CC2)CC1)c1cc(-c2ccc(Br)cc2)nc2ccccc21 ZINC000014201073 555732987 /nfs/dbraw/zinc/73/29/87/555732987.db2.gz RITNTFIKEIDDJG-UHFFFAOYSA-N 1 0 450.380 5.021 50 0 JKAARO Cc1oc(-c2ccc(Cl)cc2)nc1C[N@@H+]1CCC[C@@H](C(=O)NCCc2ccc(C)cc2)C1 ZINC000020240831 555736141 /nfs/dbraw/zinc/73/61/41/555736141.db2.gz HWCZENBNMBTAKS-JOCHJYFZSA-N 1 0 451.998 5.183 50 0 JKAARO Cc1oc(-c2ccc(Cl)cc2)nc1C[NH+]1CCC(C(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000020240723 555736200 /nfs/dbraw/zinc/73/62/00/555736200.db2.gz MBYYEPXDLJUCOC-DEOSSOPVSA-N 1 0 464.009 5.709 50 0 JKAARO C[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(CCCNC(=O)/C=C/c2ccc(Cl)cc2Cl)CC1 ZINC000020241381 555736789 /nfs/dbraw/zinc/73/67/89/555736789.db2.gz BAABIFGTXNHFLE-RJARCIMUSA-N 1 0 466.497 5.488 50 0 JKAARO C[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(CCCNC(=O)/C=C/c2cccc(C(F)(F)F)c2)CC1 ZINC000020241391 555736871 /nfs/dbraw/zinc/73/68/71/555736871.db2.gz BRZHXABSYVVAHO-RPXOIIGOSA-N 1 0 465.604 5.200 50 0 JKAARO CC[NH+](CC)[C@H](CNC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)c1cccc(OC)c1 ZINC000010917465 555747369 /nfs/dbraw/zinc/74/73/69/555747369.db2.gz HOZKWQQNIHEQBG-JOCHJYFZSA-N 1 0 486.037 5.475 50 0 JKAARO Cc1nn(-c2ccc(C)cc2)c2nc(C)c(CCC(=O)N3CC[NH+](C4CCCCC4)CC3)c(C)c12 ZINC000020282870 555752694 /nfs/dbraw/zinc/75/26/94/555752694.db2.gz BQSNVMYBHGNSHJ-UHFFFAOYSA-N 1 0 473.665 5.064 50 0 JKAARO Cc1c(Cl)ccc2c(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc(-c3ccccn3)nc12 ZINC000020295530 555763749 /nfs/dbraw/zinc/76/37/49/555763749.db2.gz LJAAGFHNENKLCW-UHFFFAOYSA-N 1 0 471.004 5.653 50 0 JKAARO Cc1ccc2nc(Cl)c3cc(C(=O)Nc4ccc(C[NH+]5CCC(C)CC5)cc4)sc3c2c1 ZINC000020321643 555770741 /nfs/dbraw/zinc/77/07/41/555770741.db2.gz NDOOKNQWIASUCP-UHFFFAOYSA-N 1 0 464.034 6.896 50 0 JKAARO Cc1cccc(/C=C2/Sc3ccc(C(=O)NCC[NH+](CC(C)C)CC(C)C)cc3NC2=O)c1 ZINC000020355281 555782990 /nfs/dbraw/zinc/78/29/90/555782990.db2.gz PVBNWILEOYZUBC-AFUMVMLFSA-N 1 0 465.663 5.424 50 0 JKAARO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)COc1ccc(C2SCCCS2)cc1 ZINC000011556953 555787236 /nfs/dbraw/zinc/78/72/36/555787236.db2.gz YATKPLPHQHPDHC-UHFFFAOYSA-N 1 0 484.691 5.264 50 0 JKAARO COc1cccc(NC(=O)N[C@@H](CCC(C)C)c2c3c(sc2-n2cccc2)C[N@@H+](C)CC3)c1 ZINC000020532141 555799978 /nfs/dbraw/zinc/79/99/78/555799978.db2.gz LTRSVZGNWJWWSU-QFIPXVFZSA-N 1 0 466.651 5.834 50 0 JKAARO CCOC(=O)c1c(NC(=O)N2CCC(C[N@@H+]3CCc4ccccc4C3)CC2)sc2c1CCCC2 ZINC000020532098 555800033 /nfs/dbraw/zinc/80/00/33/555800033.db2.gz CAGLVZAAMBLBAS-UHFFFAOYSA-N 1 0 481.662 5.106 50 0 JKAARO COc1cccc(NC(=O)N[C@H](CCC(C)C)c2c3c(sc2-n2cccc2)C[N@@H+](C)CC3)c1 ZINC000020532142 555800142 /nfs/dbraw/zinc/80/01/42/555800142.db2.gz LTRSVZGNWJWWSU-JOCHJYFZSA-N 1 0 466.651 5.834 50 0 JKAARO COc1ccc(NC(=O)N[C@@H](CCC(C)C)c2c3c(sc2-n2cccc2)C[N@@H+](C)CC3)cc1OC ZINC000020532153 555800429 /nfs/dbraw/zinc/80/04/29/555800429.db2.gz PPOPYDUXXZFXLX-NRFANRHFSA-N 1 0 496.677 5.843 50 0 JKAARO Cc1ccccc1NC(=O)N[C@@H](CCC(C)C)c1c2c(sc1-n1cccc1)C[N@@H+](C)CC2 ZINC000020532160 555800483 /nfs/dbraw/zinc/80/04/83/555800483.db2.gz ALTJTHKHIUKWOT-QFIPXVFZSA-N 1 0 450.652 6.134 50 0 JKAARO CCOc1ccc(NC(=O)N[C@H](CCC(C)C)c2c3c(sc2-n2cccc2)C[N@@H+](C)CC3)cc1 ZINC000020532168 555800494 /nfs/dbraw/zinc/80/04/94/555800494.db2.gz WVKQDDLCRPSULR-HSZRJFAPSA-N 1 0 480.678 6.224 50 0 JKAARO CC[N@@H+]1CCc2c(sc(-n3cccc3)c2[C@H](CCC(C)C)NC(=O)Nc2ccccc2OC)C1 ZINC000020532184 555800789 /nfs/dbraw/zinc/80/07/89/555800789.db2.gz APVITPSWJNWBGP-QFIPXVFZSA-N 1 0 480.678 6.224 50 0 JKAARO CC[N@@H+]1CCc2c(sc(-n3cccc3)c2[C@H](CCC(C)C)NC(=O)Nc2cccc(C)c2)C1 ZINC000020532198 555800804 /nfs/dbraw/zinc/80/08/04/555800804.db2.gz BSALCXISIGFOLA-QHCPKHFHSA-N 1 0 464.679 6.524 50 0 JKAARO CC[N@@H+]1CCc2c(sc(-n3cccc3)c2[C@H](CCC(C)C)NC(=O)Nc2ccc(C)cc2C)C1 ZINC000020532200 555800846 /nfs/dbraw/zinc/80/08/46/555800846.db2.gz JUMQZWKSRUPXDG-DEOSSOPVSA-N 1 0 478.706 6.833 50 0 JKAARO CC[N@@H+]1CCc2c(sc(-n3cccc3)c2[C@H](CCC(C)C)NC(=O)Nc2ccc(C)c(C)c2)C1 ZINC000020532192 555800853 /nfs/dbraw/zinc/80/08/53/555800853.db2.gz XSHYPKYSYHEEBF-DEOSSOPVSA-N 1 0 478.706 6.833 50 0 JKAARO CCOc1ccccc1NC(=O)N[C@H](CCC(C)C)c1c2c(sc1-n1cccc1)C[N@@H+](CC)CC2 ZINC000020532196 555800896 /nfs/dbraw/zinc/80/08/96/555800896.db2.gz UKAGFFZDDURIDO-HSZRJFAPSA-N 1 0 494.705 6.615 50 0 JKAARO CCOc1ccccc1NC(=O)N[C@@H](CCC(C)C)c1c2c(sc1-n1cccc1)C[N@@H+](CC)CC2 ZINC000020532195 555800907 /nfs/dbraw/zinc/80/09/07/555800907.db2.gz UKAGFFZDDURIDO-QHCPKHFHSA-N 1 0 494.705 6.615 50 0 JKAARO COc1ccc(C)cc1NC(=O)N[C@H](CCC(C)C)c1c2c(sc1-n1cccc1)C[N@@H+](C)CC2 ZINC000020532176 555801053 /nfs/dbraw/zinc/80/10/53/555801053.db2.gz FZMSNDRRYKMKQY-OAQYLSRUSA-N 1 0 480.678 6.143 50 0 JKAARO CC[N@@H+]1CCc2c(sc(-n3cccc3)c2[C@@H](C)NC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000020532241 555801220 /nfs/dbraw/zinc/80/12/20/555801220.db2.gz QNNJYOGLWGRLSL-OAHLLOKOSA-N 1 0 462.541 5.818 50 0 JKAARO CC[N@@H+]1CCc2c(sc(-n3cccc3)c2[C@@H](C)NC(=O)Nc2ccccc2Br)C1 ZINC000020532235 555801405 /nfs/dbraw/zinc/80/14/05/555801405.db2.gz YMGCQDIFFZUTCU-OAHLLOKOSA-N 1 0 473.440 5.562 50 0 JKAARO O=C(Nc1ccccc1Br)N(Cc1ccco1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000020532277 555801671 /nfs/dbraw/zinc/80/16/71/555801671.db2.gz ZGXDVBMAEFLPKL-UHFFFAOYSA-N 1 0 468.395 5.741 50 0 JKAARO COC(=O)c1ccc(Cl)cc1NC(=O)N(Cc1ccc(C)o1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000020532299 555801681 /nfs/dbraw/zinc/80/16/81/555801681.db2.gz JJERSLVZKZQOIP-UHFFFAOYSA-N 1 0 496.007 5.727 50 0 JKAARO O=C(Nc1ccccc1C(F)(F)F)N(Cc1ccco1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000020532279 555801727 /nfs/dbraw/zinc/80/17/27/555801727.db2.gz KUGZPYSEFOXFQE-UHFFFAOYSA-N 1 0 457.496 5.997 50 0 JKAARO CSc1ccc2cc(C[NH2+]CCn3nc(C)cc3C)c(=O)n(Cc3ccccc3Cl)c2c1 ZINC000011783049 555814014 /nfs/dbraw/zinc/81/40/14/555814014.db2.gz NEEPCTGFNYEDGS-UHFFFAOYSA-N 1 0 467.038 5.028 50 0 JKAARO O=C(NCC1(c2ccccc2)CCCC1)[C@H]1CC12CC[NH+](Cc1c[nH]nc1-c1ccc(F)cc1)CC2 ZINC000011784789 555816552 /nfs/dbraw/zinc/81/65/52/555816552.db2.gz HBMQYOUOBUQHNH-AREMUKBSSA-N 1 0 486.635 5.446 50 0 JKAARO Cc1cccc(C[N@@H+]2C[C@@H](Sc3nc4ccccc4[nH]3)C[C@H]2C(=O)NCCc2cccc(F)c2)c1 ZINC000011785166 555817303 /nfs/dbraw/zinc/81/73/03/555817303.db2.gz JFISIOWSIZDEOL-OZXSUGGESA-N 1 0 488.632 5.105 50 0 JKAARO CSc1ccc2cc(CN(CC[NH+](C)C)C(=O)c3ccccc3F)c(-c3cccs3)nc2c1 ZINC000011785965 555818584 /nfs/dbraw/zinc/81/85/84/555818584.db2.gz GRNDDPKCFFREGL-UHFFFAOYSA-N 1 0 479.646 6.028 50 0 JKAARO CC1(C)C[C@@H]([NH2+]C2CCN(c3ccc(NC(=O)Cc4cccc(Cl)c4)cc3)CC2)CCO1 ZINC000011787050 555820651 /nfs/dbraw/zinc/82/06/51/555820651.db2.gz YUEUYBQNNYOQMK-QHCPKHFHSA-N 1 0 456.030 5.037 50 0 JKAARO O=C(c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000020567867 555821004 /nfs/dbraw/zinc/82/10/04/555821004.db2.gz MITOFCPPIKPOCV-UHFFFAOYSA-N 1 0 479.546 5.226 50 0 JKAARO CO[C@H]1[C@H](NC(=O)c2ccsc2)c2ccccc2C12CC[NH+](Cc1cccc3cccnc31)CC2 ZINC000011787570 555821667 /nfs/dbraw/zinc/82/16/67/555821667.db2.gz YDNLRVDMSVKKND-SXOMAYOGSA-N 1 0 483.637 5.330 50 0 JKAARO O=C(NCc1cccc(C(F)(F)F)c1)[C@@H]1CC12CC[NH+](Cc1c[nH]nc1-c1ccccc1)CC2 ZINC000011789690 555824978 /nfs/dbraw/zinc/82/49/78/555824978.db2.gz DVOJCDQCOPDZJD-QFIPXVFZSA-N 1 0 468.523 5.014 50 0 JKAARO Cc1nc2cc(NC(=O)[C@@H]3C[C@H](Sc4ccccn4)CN3Cc3ccc(F)c(F)c3)ccc2s1 ZINC000011790354 555826058 /nfs/dbraw/zinc/82/60/58/555826058.db2.gz GEUOHOHPVCDUQB-AVRDEDQJSA-N 1 0 496.608 5.652 50 0 JKAARO C[C@H](Cc1cncs1)[NH2+]C1CCN(c2cccc(NC(=O)CCCc3ccccc3)c2)CC1 ZINC000011790723 555826895 /nfs/dbraw/zinc/82/68/95/555826895.db2.gz IWZBOTLFLSWLRM-OAQYLSRUSA-N 1 0 462.663 5.294 50 0 JKAARO COc1ccc(F)c(C[NH+]2CCC([C@H](Cc3ccccc3)N(C)C(=O)c3ccoc3C)CC2)c1 ZINC000011813055 555828714 /nfs/dbraw/zinc/82/87/14/555828714.db2.gz VBEHNNQJVGSNMH-MHZLTWQESA-N 1 0 464.581 5.331 50 0 JKAARO COc1ccc(-c2ccc(C(=O)NC[C@H]3CCC4(CC[NH+](Cc5ccc(F)cc5)CC4)O3)o2)cc1 ZINC000011841352 555833885 /nfs/dbraw/zinc/83/38/85/555833885.db2.gz PREQPLRFSHWLDW-XMMPIXPASA-N 1 0 478.564 5.038 50 0 JKAARO O=C(NCc1ccccc1C(F)(F)F)[C@H]1CC12CC[NH+](Cc1c[nH]nc1-c1ccc(F)cc1)CC2 ZINC000011841860 555834535 /nfs/dbraw/zinc/83/45/35/555834535.db2.gz NMLKHYRATKCYRU-JOCHJYFZSA-N 1 0 486.513 5.153 50 0 JKAARO CC[C@@H](C)[N@H+](CCNC(=O)c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2)Cc1ccco1 ZINC000020597933 555840203 /nfs/dbraw/zinc/84/02/03/555840203.db2.gz BLGLDDVWUIDYEW-HXUWFJFHSA-N 1 0 488.632 5.147 50 0 JKAARO CCn1cc(C[NH+]2CCC([C@@H](Cc3ccccc3Cl)N(C)C(=O)c3ccco3)CC2)c(C)n1 ZINC000015000104 555844659 /nfs/dbraw/zinc/84/46/59/555844659.db2.gz JPQSPZXYRRZIHD-XMMPIXPASA-N 1 0 469.029 5.053 50 0 JKAARO C[N@H+](Cc1cccs1)Cc1ccc(OCC[C@H]2CCCCN2C(=O)C2CCCCC2)cc1 ZINC000011868209 555845208 /nfs/dbraw/zinc/84/52/08/555845208.db2.gz NHFIKGJTKVFBJF-XMMPIXPASA-N 1 0 454.680 6.110 50 0 JKAARO COc1ccc2ccccc2c1Cn1cnc2sc3c(c2c1=O)CC[C@H]([NH2+]Cc1ccccc1)C3 ZINC000015002990 555848207 /nfs/dbraw/zinc/84/82/07/555848207.db2.gz ZJLFVZBUCDTAFA-NRFANRHFSA-N 1 0 481.621 5.315 50 0 JKAARO CSc1ccc2cc(C[NH2+]C[C@H]3COCCO3)c(OCc3cccc(C(F)(F)F)c3)nc2c1 ZINC000015009218 555853345 /nfs/dbraw/zinc/85/33/45/555853345.db2.gz JAPAXWDRWIOKFQ-FQEVSTJZSA-N 1 0 478.536 5.060 50 0 JKAARO O=C(NC[C@H](c1cccs1)[NH+]1CCCCCC1)c1cc(-c2ccc(Br)cc2)on1 ZINC000011905284 555853431 /nfs/dbraw/zinc/85/34/31/555853431.db2.gz NXBOPWZYVXVNJR-LJQANCHMSA-N 1 0 474.424 5.513 50 0 JKAARO O=C(CCCCc1ccccc1)Nc1ccc(N2CCC([NH2+]CCCc3cccnc3)CC2)cc1 ZINC000011908856 555855671 /nfs/dbraw/zinc/85/56/71/555855671.db2.gz KTVWMZLFVLJUBM-UHFFFAOYSA-N 1 0 470.661 5.624 50 0 JKAARO CSc1ccc(C[NH+]2CCC([C@@H](Cc3ccccc3)N(C)C(=O)c3cc(C)nn3C)CC2)cc1 ZINC000011909409 555856353 /nfs/dbraw/zinc/85/63/53/555856353.db2.gz OFSSATNUSVMOSQ-AREMUKBSSA-N 1 0 476.690 5.046 50 0 JKAARO C[C@H](c1cccs1)[N@H+](C)Cc1cc(-c2ccccc2)ccc1OCC(=O)Nc1ccccc1F ZINC000011910319 555857667 /nfs/dbraw/zinc/85/76/67/555857667.db2.gz NAPWFYGEICKPOR-HXUWFJFHSA-N 1 0 474.601 6.765 50 0 JKAARO Cc1ccn(CCC(=O)N(CC[NH+](C)C)Cc2cc3cccc(C)c3nc2-c2cccc(C)c2)n1 ZINC000011912571 555861320 /nfs/dbraw/zinc/86/13/20/555861320.db2.gz VTVSEFXMGAMZBD-UHFFFAOYSA-N 1 0 469.633 5.004 50 0 JKAARO C[N@H+](CCc1ccccn1)Cc1ccc2c(c1)CN(C(=O)C[C@@H](c1ccco1)c1ccccc1)CCO2 ZINC000011912775 555861947 /nfs/dbraw/zinc/86/19/47/555861947.db2.gz RLYYDKBHIIGWAF-MUUNZHRXSA-N 1 0 495.623 5.292 50 0 JKAARO Cc1ccccc1-c1ccc(C[NH+]2CCC3(C[C@H]3C(=O)NCCCc3ccncc3)CC2)cc1 ZINC000011913403 555863093 /nfs/dbraw/zinc/86/30/93/555863093.db2.gz VJHBRZKQUUZZDF-NDEPHWFRSA-N 1 0 453.630 5.408 50 0 JKAARO CCn1c2ccccc2c2cc(CN3CC[NH+](C4CCC(c5ccccc5)CC4)CC3)ccc21 ZINC000022031816 555864929 /nfs/dbraw/zinc/86/49/29/555864929.db2.gz FIZUIKHDYZKDMY-UHFFFAOYSA-N 1 0 451.658 6.658 50 0 JKAARO O=C(CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000022038746 555865621 /nfs/dbraw/zinc/86/56/21/555865621.db2.gz NUDXTVJUWNKXFQ-UHFFFAOYSA-N 1 0 488.846 5.993 50 0 JKAARO COc1ccc([C@H](CNC(=O)c2oc3cc(C)c(Cl)cc3c2C)[NH+]2CCCCCC2)cc1 ZINC000011916632 555867644 /nfs/dbraw/zinc/86/76/44/555867644.db2.gz MDVINCJRPZXKAQ-QHCPKHFHSA-N 1 0 454.998 6.059 50 0 JKAARO CN(Cc1cscn1)C(=O)[C@H]1CC12CC[NH+](Cc1ccc(N(C)c3ccccc3)cc1)CC2 ZINC000015069714 555869548 /nfs/dbraw/zinc/86/95/48/555869548.db2.gz PNWNXLNWCOZCIK-RUZDIDTESA-N 1 0 460.647 5.172 50 0 JKAARO C(=C/c1ccco1)\C[NH+]1CCC(c2nnc(SCC3CCCCC3)n2C[C@@H]2CCCO2)CC1 ZINC000015071654 555871064 /nfs/dbraw/zinc/87/10/64/555871064.db2.gz SUCDYLXMVFWLJR-VNXRSIPHSA-N 1 0 470.683 5.615 50 0 JKAARO O=C(c1cc2cc(C3(O)CC[NH+](Cc4cccs4)CC3)ccc2o1)N1CCc2ccccc2C1 ZINC000011978413 555875758 /nfs/dbraw/zinc/87/57/58/555875758.db2.gz NKRLJTOIKSXSJO-UHFFFAOYSA-N 1 0 472.610 5.176 50 0 JKAARO CCn1nc(C)c(C[NH+]2CCC(C(=O)Nc3cccc(-c4cccc(Cl)c4)c3)CC2)c1C ZINC000012024496 555885694 /nfs/dbraw/zinc/88/56/94/555885694.db2.gz SJZBCPCCKCUITD-UHFFFAOYSA-N 1 0 451.014 5.691 50 0 JKAARO COc1ccc(NC(=O)c2cc3cc(C4(O)CC[NH+](C/C=C/c5ccco5)CC4)ccc3o2)cc1 ZINC000012035143 555888486 /nfs/dbraw/zinc/88/84/86/555888486.db2.gz OALWQLNDTHTDRJ-DUXPYHPUSA-N 1 0 472.541 5.284 50 0 JKAARO C[N@@H+]1CCC[C@@H](COc2cc(-c3cccc(Cl)c3)cc3c2OCCN(C(=O)c2ccoc2)C3)C1 ZINC000012040024 555892545 /nfs/dbraw/zinc/89/25/45/555892545.db2.gz NOIGTJWBOACGCU-LJQANCHMSA-N 1 0 480.992 5.355 50 0 JKAARO COc1ccc(C[NH+]2CCC([C@@H](Cc3ccccc3)N(C)C(=O)c3cccs3)CC2)c(F)c1 ZINC000012039985 555892636 /nfs/dbraw/zinc/89/26/36/555892636.db2.gz CPKLCKLJLMTIRN-RUZDIDTESA-N 1 0 466.622 5.491 50 0 JKAARO Cc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)OC[C@@H]4CCC[N@@H+]5CCCC[C@@H]45)c3n2)cc1 ZINC000015319744 555897496 /nfs/dbraw/zinc/89/74/96/555897496.db2.gz CEBFMSUINKFTEF-RXVVDRJESA-N 1 0 472.511 5.145 50 0 JKAARO COc1cccc(-n2c(SC[C@@H]3CCCO3)nnc2C2CC[NH+](CC3CCCCC3)CC2)c1 ZINC000012079491 555902707 /nfs/dbraw/zinc/90/27/07/555902707.db2.gz DEVDPQFCFCDYQY-DEOSSOPVSA-N 1 0 470.683 5.307 50 0 JKAARO Cn1c(SC[C@@H]2CCCO2)nnc1C1CC[NH+](Cc2ccc(-c3cccc(Cl)c3)o2)CC1 ZINC000012130573 555911641 /nfs/dbraw/zinc/91/16/41/555911641.db2.gz LREHISQULGNVLJ-NRFANRHFSA-N 1 0 473.042 5.379 50 0 JKAARO CCOc1cccc2sc(N(CC[NH+](CC)CC)C(=O)c3ccc(Cc4ccccc4)cc3)nc21 ZINC000012140863 555919873 /nfs/dbraw/zinc/91/98/73/555919873.db2.gz RJBZKPUXRNNCMV-UHFFFAOYSA-N 1 0 487.669 6.274 50 0 JKAARO CCCCCOc1cccc(C(=O)N(CC[NH+](CC)CC)c2nc3cc(C)cc(C)c3s2)c1 ZINC000012140901 555920070 /nfs/dbraw/zinc/92/00/70/555920070.db2.gz IMIMKEWIPVUQMN-UHFFFAOYSA-N 1 0 467.679 6.471 50 0 JKAARO CCOc1ccc2nc(N(CCC[NH+](C)C)C(=O)c3ccc(Br)s3)sc2c1 ZINC000012140918 555920155 /nfs/dbraw/zinc/92/01/55/555920155.db2.gz PQCOOQGVDRMOHB-UHFFFAOYSA-N 1 0 468.442 5.118 50 0 JKAARO C[NH+](C)CCCN(C(=O)c1ccc2ncsc2c1)c1nc2ccc(Br)cc2s1 ZINC000012140958 555920475 /nfs/dbraw/zinc/92/04/75/555920475.db2.gz GTTOPLMOTJHONF-UHFFFAOYSA-N 1 0 475.437 5.267 50 0 JKAARO C[N@H+](Cc1ccc(OC[C@H]2CCCN(C(=O)Cc3ccsc3)C2)cc1)Cc1cccc2ccccc21 ZINC000012148889 555920610 /nfs/dbraw/zinc/92/06/10/555920610.db2.gz XDDBBAJMNJNTHO-SANMLTNESA-N 1 0 498.692 6.393 50 0 JKAARO Cc1occc1C(=O)N(C)[C@H](Cc1ccccc1F)C1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000012149347 555921296 /nfs/dbraw/zinc/92/12/96/555921296.db2.gz VFWSJBWPUREKQN-MUUNZHRXSA-N 1 0 485.603 5.871 50 0 JKAARO C[C@@H]1CCC[N@H+](Cc2cc(-c3ccc4c(c3)OCO4)ccc2OCC(=O)NCc2ccccc2F)C1 ZINC000012150146 555922136 /nfs/dbraw/zinc/92/21/36/555922136.db2.gz WRNZSXLXMIAINJ-HXUWFJFHSA-N 1 0 490.575 5.149 50 0 JKAARO O=c1c2c(ncn1CCc1ccccn1)sc1c2CC[C@@H]([NH2+]CC2(c3ccccc3)CCCC2)C1 ZINC000012151717 555924835 /nfs/dbraw/zinc/92/48/35/555924835.db2.gz RBVWIVIQWSBBTQ-HSZRJFAPSA-N 1 0 484.669 5.055 50 0 JKAARO C[N@H+](C[C@H](O)c1ccccc1)C1CCN(c2cccc(NC(=O)CCCc3ccccc3)c2)CC1 ZINC000012151834 555925071 /nfs/dbraw/zinc/92/50/71/555925071.db2.gz BGTPAVPOIQCZLT-LJAQVGFWSA-N 1 0 471.645 5.282 50 0 JKAARO COc1ccc(C[NH+]2CCC(n3c(Cc4ccc(F)cc4)nc4cccnc43)CC2)c(OC)c1OC ZINC000012152224 555925970 /nfs/dbraw/zinc/92/59/70/555925970.db2.gz ZHHMBBAPEPPGNG-UHFFFAOYSA-N 1 0 490.579 5.024 50 0 JKAARO C[N@H+](CCN1C(=O)c2cc3sccc3n2C[C@]1(C)C(=O)NC1CCCCCCC1)C1CCCCC1 ZINC000015672931 555930929 /nfs/dbraw/zinc/93/09/29/555930929.db2.gz PKQPGNWCAONUPF-MUUNZHRXSA-N 1 0 498.737 5.411 50 0 JKAARO O=C(CCc1ccccc1)Nc1ccc(N2CCC([NH2+]Cc3cccc(-n4cccn4)c3)CC2)cc1 ZINC000012168074 555933702 /nfs/dbraw/zinc/93/37/02/555933702.db2.gz NLTXHLJEBJOXHK-UHFFFAOYSA-N 1 0 479.628 5.202 50 0 JKAARO Cc1cc2c(cc3n2C[C@@](C)(C(=O)NC2CCCCCCC2)N(CC[N@@H+](C)C2CCCCC2)C3=O)o1 ZINC000015675851 555935029 /nfs/dbraw/zinc/93/50/29/555935029.db2.gz KVYNTMRKXVFWSZ-LJAQVGFWSA-N 1 0 496.696 5.251 50 0 JKAARO COc1cccc(-n2c(SC[C@@H]3CCCO3)nnc2C2CC[NH+](Cc3ccc(C)s3)CC2)c1 ZINC000012185034 555936398 /nfs/dbraw/zinc/93/63/98/555936398.db2.gz AGZGACPMXXKKKL-QFIPXVFZSA-N 1 0 484.691 5.297 50 0 JKAARO CO[C@H]1[C@H](NC(=O)c2ccco2)c2ccccc2C12CC[NH+](Cc1cc3ccccc3s1)CC2 ZINC000012191617 555939168 /nfs/dbraw/zinc/93/91/68/555939168.db2.gz LFNZMBMSQMBNLO-FTJBHMTQSA-N 1 0 472.610 5.528 50 0 JKAARO CCc1ccc2nc(N(CCC[NH+](C)C)C(=O)c3ccc(C(=O)c4ccccc4)cc3)sc2c1 ZINC000022664374 555941535 /nfs/dbraw/zinc/94/15/35/555941535.db2.gz HBDAYDNADGUJSK-UHFFFAOYSA-N 1 0 471.626 5.688 50 0 JKAARO C[C@@H]1CCCC[N@@H+]1CCN1C(=O)c2ccc(-c3ccco3)n2C[C@@]1(C)C(=O)NC1CCCCCCC1 ZINC000015678262 555943326 /nfs/dbraw/zinc/94/33/26/555943326.db2.gz ZPRQUIUBDZFRCD-MNNSJKJDSA-N 1 0 494.680 5.066 50 0 JKAARO Cc1ccc(C)c(NC(=O)N(Cc2ccc3c(c2)OCO3)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000015679713 555946599 /nfs/dbraw/zinc/94/65/99/555946599.db2.gz AOIBELWFVUWSGT-UHFFFAOYSA-N 1 0 471.601 5.731 50 0 JKAARO Cc1ccccc1NC(=O)N(Cc1ccc2c(c1)OCO2)C1CC[NH+](Cc2ccccc2)CC1 ZINC000015679716 555946618 /nfs/dbraw/zinc/94/66/18/555946618.db2.gz YUVAERVSXXPPCX-UHFFFAOYSA-N 1 0 457.574 5.422 50 0 JKAARO O=C(Nc1cc(F)ccc1F)N(Cc1ccc2c(c1)OCO2)C1CC[NH+](Cc2ccccc2)CC1 ZINC000015679720 555946873 /nfs/dbraw/zinc/94/68/73/555946873.db2.gz JWBDUKICPIIANA-UHFFFAOYSA-N 1 0 479.527 5.392 50 0 JKAARO CC[C@H](C)C[NH+]1CCC(O)(c2ccc3oc(C(=O)N(C)Cc4cccc5cccnc54)cc3c2)CC1 ZINC000012283676 555949061 /nfs/dbraw/zinc/94/90/61/555949061.db2.gz SFQDHOOUXSDFKT-NRFANRHFSA-N 1 0 485.628 5.583 50 0 JKAARO Cc1oc(-c2ccc(C(=O)NCCC[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)nc1COc1ccc(C)cc1 ZINC000015682145 555951548 /nfs/dbraw/zinc/95/15/48/555951548.db2.gz NOULYPZJGSRMQL-VXKWHMMOSA-N 1 0 475.633 5.635 50 0 JKAARO O=C(CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000022917745 555971604 /nfs/dbraw/zinc/97/16/04/555971604.db2.gz WDUYHELUTITWLA-UHFFFAOYSA-N 1 0 488.846 5.993 50 0 JKAARO CC(C)c1ccccc1-n1c(=S)n(CN2CC[NH+](Cc3ccccc3)CC2)nc1-c1cccnc1 ZINC000022924091 555976630 /nfs/dbraw/zinc/97/66/30/555976630.db2.gz QCDAMPRNOCNSGI-UHFFFAOYSA-N 1 0 484.673 5.364 50 0 JKAARO CCC(C)(C)c1ccc(OC[C@@H](O)CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000022925028 555977378 /nfs/dbraw/zinc/97/73/78/555977378.db2.gz YFFVLLSZGQTQSY-NDEPHWFRSA-N 1 0 472.673 5.521 50 0 JKAARO COc1ccc([C@H](C[NH2+]Cc2ccc(OCc3csc(C)n3)c(OC)c2)N2CCCCC2)cc1 ZINC000022928674 555979792 /nfs/dbraw/zinc/97/97/92/555979792.db2.gz DXDBVCJNGBXYQX-VWLOTQADSA-N 1 0 481.662 5.365 50 0 JKAARO Cc1ccc(C(=O)N2CCC[C@H](COc3ccc(C[N@H+](C)CCc4ccccn4)cc3)C2)s1 ZINC000012455957 555981649 /nfs/dbraw/zinc/98/16/49/555981649.db2.gz XFGMOUCVJJRZOG-QHCPKHFHSA-N 1 0 463.647 5.057 50 0 JKAARO CC(C)c1cccc(C(C)C)c1NC(=O)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022930243 555983407 /nfs/dbraw/zinc/98/34/07/555983407.db2.gz HEAKYRQUQBBXEL-UHFFFAOYSA-N 1 0 469.673 6.279 50 0 JKAARO Cc1sc(NC(=O)c2ccco2)c([C@H](c2cccc(C(F)(F)F)c2)[NH+]2C[C@H](C)C[C@@H](C)C2)c1C ZINC000012485535 555987241 /nfs/dbraw/zinc/98/72/41/555987241.db2.gz YIYHGBBJAPVMAK-LNPFQXMTSA-N 1 0 490.591 7.296 50 0 JKAARO Cc1sc(NC(=O)c2ccco2)c([C@H](c2ccc3c(c2)OCCO3)[NH+]2C[C@@H](C)C[C@H](C)C2)c1C ZINC000012485518 555987348 /nfs/dbraw/zinc/98/73/48/555987348.db2.gz XRXVBSQYFGNTKU-TZPNTHKFSA-N 1 0 480.630 6.049 50 0 JKAARO CC[NH+]1CCN(Cc2ccc(Nc3nc(-c4ccc(OC)cc4)nc4ccccc43)cc2)CC1 ZINC000022937868 555991115 /nfs/dbraw/zinc/99/11/15/555991115.db2.gz MJEAECTZJPJHDE-UHFFFAOYSA-N 1 0 453.590 5.187 50 0 JKAARO CC[NH+](CC)CCn1c2ccccc2n(CC(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1=N ZINC000015773670 555992034 /nfs/dbraw/zinc/99/20/34/555992034.db2.gz OWVWGIWAOMVYHR-UHFFFAOYSA-N 1 0 478.681 5.448 50 0 JKAARO COc1cccc(OC)c1OCCCCCC[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022938700 555992356 /nfs/dbraw/zinc/99/23/56/555992356.db2.gz XBUDDFBYDZQHQB-UHFFFAOYSA-N 1 0 488.672 6.050 50 0 JKAARO CN1c2ccccc2C(C)(C)/C1=C/[P@](=Nc1ccc(F)cc1)(c1ccccc1)N1CC[NH+](C)CC1 ZINC000012524303 555993384 /nfs/dbraw/zinc/99/33/84/555993384.db2.gz QCYRLUWFZOMGLO-OLCWKRMESA-N 1 0 488.591 6.415 50 0 JKAARO CCn1c2ccccc2c2cc([P@@](=[NH+]c3ccc(C)c(C)c3)(N3CCCC3)C(C)(C)C)ccc21 ZINC000012524732 555993680 /nfs/dbraw/zinc/99/36/80/555993680.db2.gz VIBRVORBDPUEHD-UUWRZZSWSA-N 1 0 471.629 8.399 50 0 JKAARO CCn1c2ccccc2c2cc([P@](=[NH+]c3ccc(C)c(C)c3)(N3CCCC3)C(C)(C)C)ccc21 ZINC000012524733 555993742 /nfs/dbraw/zinc/99/37/42/555993742.db2.gz VIBRVORBDPUEHD-UMSFTDKQSA-N 1 0 471.629 8.399 50 0 JKAARO Clc1ccc(-c2nc3sc4c(c3c(NC3CC[NH+](Cc5ccccc5)CC3)n2)CCC4)cc1 ZINC000012530878 556000930 /nfs/dbraw/zinc/00/09/30/556000930.db2.gz FXVHPSJIIFQUHW-UHFFFAOYSA-N 1 0 475.061 6.577 50 0 JKAARO Cc1ccc2nc(-c3ccccn3)cc(C(=O)NCC[NH+]3CCC(Cc4ccccc4)CC3)c2c1 ZINC000015782944 556001088 /nfs/dbraw/zinc/00/10/88/556001088.db2.gz LWBFJRHDSRBFLQ-UHFFFAOYSA-N 1 0 464.613 5.290 50 0 JKAARO O=C(C1CC[NH+](Cc2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1)N1CCCCC1 ZINC000015825907 556013545 /nfs/dbraw/zinc/01/35/45/556013545.db2.gz MUPSOPUNZBPROE-UHFFFAOYSA-N 1 0 450.026 5.568 50 0 JKAARO CCOc1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@H+](C(C)C)C3)cc1 ZINC000023153851 556024945 /nfs/dbraw/zinc/02/49/45/556024945.db2.gz KHLSWJRQOBLHOA-UHFFFAOYSA-N 1 0 477.655 6.442 50 0 JKAARO Cc1ccccc1NC(=S)N[C@@H](C)[C@H](c1cccs1)[NH+]1CCN(c2ccccc2)CC1 ZINC000023182364 556028245 /nfs/dbraw/zinc/02/82/45/556028245.db2.gz KLRYYPFPEJKYTF-GBXCKJPGSA-N 1 0 450.677 5.295 50 0 JKAARO CC(C)c1ccc([C@H](c2oc3ccccc3c2NC(=O)c2ccco2)[NH+]2CCC(C)CC2)cc1 ZINC000015859352 556029427 /nfs/dbraw/zinc/02/94/27/556029427.db2.gz YNBGXGDDOJEPSQ-HHHXNRCGSA-N 1 0 456.586 7.223 50 0 JKAARO CC1CC[NH+]([C@@H](c2oc3ccccc3c2NC(=O)c2cccs2)c2ccc(Cl)cc2)CC1 ZINC000015859388 556029731 /nfs/dbraw/zinc/02/97/31/556029731.db2.gz XUSFKOJGACCYSS-XMMPIXPASA-N 1 0 465.018 7.221 50 0 JKAARO O=C(Nc1c2ccccc2oc1[C@H](c1ccccc1Cl)[NH+]1CCCCC1)c1cccs1 ZINC000015859398 556029738 /nfs/dbraw/zinc/02/97/38/556029738.db2.gz BBMDGABCQSYUHR-QHCPKHFHSA-N 1 0 450.991 6.975 50 0 JKAARO COc1ccc(OC)c([C@H](c2oc3ccccc3c2NC(=O)c2cccs2)[NH+]2CCC(C)CC2)c1 ZINC000015859443 556030066 /nfs/dbraw/zinc/03/00/66/556030066.db2.gz WMUSKDYWOSAPHF-AREMUKBSSA-N 1 0 490.625 6.585 50 0 JKAARO COc1ccccc1[C@H](c1oc2ccccc2c1NC(=O)c1ccccc1)[NH+]1CCC(C)CC1 ZINC000015859473 556030068 /nfs/dbraw/zinc/03/00/68/556030068.db2.gz WXYYPYYDSUCRSQ-HHHXNRCGSA-N 1 0 454.570 6.515 50 0 JKAARO CC1CC[NH+]([C@@H](c2oc3ccccc3c2NC(=O)c2ccccc2)c2cccc(Cl)c2)CC1 ZINC000015859500 556030088 /nfs/dbraw/zinc/03/00/88/556030088.db2.gz UAVCASAPIVAOJW-AREMUKBSSA-N 1 0 458.989 7.160 50 0 JKAARO COc1cccc([C@@H](c2oc3ccccc3c2NC(=O)c2cccs2)[NH+]2CCC(C)CC2)c1OC ZINC000015859442 556030092 /nfs/dbraw/zinc/03/00/92/556030092.db2.gz KSLNUCBIIHEHOF-VWLOTQADSA-N 1 0 490.625 6.585 50 0 JKAARO COc1cccc([C@H](c2oc3ccccc3c2NC(=O)c2ccccc2)[NH+]2CCCCC2)c1OC ZINC000015859549 556030426 /nfs/dbraw/zinc/03/04/26/556030426.db2.gz XJCOCEXVNXANMP-AREMUKBSSA-N 1 0 470.569 6.278 50 0 JKAARO Cc1ccc(C(=O)Nc2c3ccccc3oc2[C@H](c2ccc(Cl)cc2)[NH+]2CCCCC2)cc1 ZINC000015859583 556030745 /nfs/dbraw/zinc/03/07/45/556030745.db2.gz IHELGTVOLMBPCG-SANMLTNESA-N 1 0 458.989 7.222 50 0 JKAARO Cc1ccc(C(=O)Nc2c3ccccc3oc2[C@H](c2ccc(Cl)cc2)[NH+]2CCC(C)CC2)cc1 ZINC000015859587 556030827 /nfs/dbraw/zinc/03/08/27/556030827.db2.gz AKPCICSZXATVFL-MHZLTWQESA-N 1 0 473.016 7.468 50 0 JKAARO CCc1c(C)sc2c1CC[N@H+](Cc1nc(-c3cccc(Cl)c3)oc1C)[C@@H]2c1ccccc1 ZINC000015864889 556040701 /nfs/dbraw/zinc/04/07/01/556040701.db2.gz UJCJDNFRTHJOLM-RUZDIDTESA-N 1 0 463.046 7.383 50 0 JKAARO CCc1c(C)sc2c1CC[N@H+](Cc1nc(-c3ccc(Cl)cc3)oc1C)[C@H]2c1ccccc1 ZINC000015864888 556040820 /nfs/dbraw/zinc/04/08/20/556040820.db2.gz QRQUPFUVNJGUDI-VWLOTQADSA-N 1 0 463.046 7.383 50 0 JKAARO Cc1c(C(=O)C[N@@H+]2CCc3c4c(sc3[C@@H]2c2ccccc2)CCCC4)c2ccccc2n1C ZINC000015864839 556040909 /nfs/dbraw/zinc/04/09/09/556040909.db2.gz HFMHONRJQYQYBX-NDEPHWFRSA-N 1 0 454.639 6.257 50 0 JKAARO O=C(NCc1ccccc1F)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1 ZINC000015865830 556042405 /nfs/dbraw/zinc/04/24/05/556042405.db2.gz SRNWIBLOQPLZLC-UHFFFAOYSA-N 1 0 490.022 6.011 50 0 JKAARO O=C(NCc1cccc(Cl)c1)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000015865852 556042569 /nfs/dbraw/zinc/04/25/69/556042569.db2.gz KZZZAQXDUMUEIA-UHFFFAOYSA-N 1 0 490.022 6.011 50 0 JKAARO O=C(NCCC1=CCCCC1)c1cc(N2CC[NH+](Cc3ccccc3)CC2)nc2ccccc21 ZINC000023333744 556043636 /nfs/dbraw/zinc/04/36/36/556043636.db2.gz KKYGHMISVLLVCI-UHFFFAOYSA-N 1 0 454.618 5.177 50 0 JKAARO CC(C)C[NH+]1CCN(C(=O)c2ccc(-c3cc(-c4cccc(C(F)(F)F)c4)n[nH]3)cc2)CC1 ZINC000023335609 556045264 /nfs/dbraw/zinc/04/52/64/556045264.db2.gz VHOCDXRJHKLAPG-UHFFFAOYSA-N 1 0 456.512 5.176 50 0 JKAARO CC(C)C[NH+]1CCN(C(=O)c2ccc(-c3cc(-c4ccc(N5CCCCC5)cc4)n[nH]3)cc2)CC1 ZINC000023336774 556046707 /nfs/dbraw/zinc/04/67/07/556046707.db2.gz DOUWUIVTUUHZHO-UHFFFAOYSA-N 1 0 471.649 5.148 50 0 JKAARO O=C(c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)[nH]n2)cc1)N1CCC([NH+]2CCCC2)CC1 ZINC000023425652 556053515 /nfs/dbraw/zinc/05/35/15/556053515.db2.gz DFTBODCWKQQJBC-UHFFFAOYSA-N 1 0 469.416 5.751 50 0 JKAARO CC[NH+](CC)CCNC(=O)CCc1cc2c(n1-c1ccc(C(C)C)cc1)-c1ccccc1OC2 ZINC000023437251 556058648 /nfs/dbraw/zinc/05/86/48/556058648.db2.gz KBXYIBMFADGCMT-UHFFFAOYSA-N 1 0 459.634 5.551 50 0 JKAARO CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@H]([NH2+]CC1CCCCC1)c1ccccc1 ZINC000012563675 556058888 /nfs/dbraw/zinc/05/88/88/556058888.db2.gz JBJAFEBEBOZGTO-RUZDIDTESA-N 1 0 476.642 6.442 50 0 JKAARO CCN(CC[N@H+](C)CC)C(=O)CCc1cc2c(n1-c1ccc(Cl)cc1)-c1ccccc1OC2 ZINC000023441220 556060403 /nfs/dbraw/zinc/06/04/03/556060403.db2.gz LBVFFGRANDUWAW-UHFFFAOYSA-N 1 0 466.025 5.423 50 0 JKAARO CC[NH+](CC)CCC[C@H](C)NC(=O)c1ccc(-c2cc(-c3cccc4ccccc43)[nH]n2)cc1 ZINC000023450794 556065438 /nfs/dbraw/zinc/06/54/38/556065438.db2.gz GGMGKTQQDLRALZ-NRFANRHFSA-N 1 0 454.618 6.137 50 0 JKAARO Cc1cc(OC[C@@H](O)CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)ccc1C(C)C ZINC000023471709 556074030 /nfs/dbraw/zinc/07/40/30/556074030.db2.gz WBZUORWVFTUSPE-MHZLTWQESA-N 1 0 458.646 5.265 50 0 JKAARO O[C@H](COc1ccc(-c2ccccc2)cc1)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000023473248 556074240 /nfs/dbraw/zinc/07/42/40/556074240.db2.gz HQMHJHGQTPJNLZ-PMERELPUSA-N 1 0 478.636 5.501 50 0 JKAARO COc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C(C)C)C4)ccc1OC(=O)c1ccccc1 ZINC000015946373 556082847 /nfs/dbraw/zinc/08/28/47/556082847.db2.gz ZHBZGWVRNMBUAB-QHCPKHFHSA-N 1 0 477.586 5.171 50 0 JKAARO CCOc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C(C)C)C4)ccc1OC(=O)c1ccccc1 ZINC000015946369 556082883 /nfs/dbraw/zinc/08/28/83/556082883.db2.gz RNGSBOPJNCDTOM-DEOSSOPVSA-N 1 0 491.613 5.561 50 0 JKAARO Cc1cccc(NC(=O)c2c(NC(=O)C[NH2+]Cc3ccccc3)sc3c2CC[C@@H](C(C)(C)C)C3)c1 ZINC000015946746 556083541 /nfs/dbraw/zinc/08/35/41/556083541.db2.gz PTLGLQOMWUHUOW-OAQYLSRUSA-N 1 0 489.685 6.188 50 0 JKAARO CCOc1ccc(NC(=O)c2c(NC(=O)C[NH2+]CCc3ccccc3)sc3c2CC[C@H](C)C3)cc1 ZINC000015946844 556083986 /nfs/dbraw/zinc/08/39/86/556083986.db2.gz CYPBRBXQQAKYGG-IBGZPJMESA-N 1 0 491.657 5.295 50 0 JKAARO CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4cccc(Br)c4)o2)N3)C1 ZINC000015947059 556084286 /nfs/dbraw/zinc/08/42/86/556084286.db2.gz SCFNSRUARHMBAT-HXUWFJFHSA-N 1 0 472.408 5.966 50 0 JKAARO CCOc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](CC)C4)ccc1OC(=O)c1ccc(C)cc1 ZINC000015947265 556084705 /nfs/dbraw/zinc/08/47/05/556084705.db2.gz SGYVOQDRWXHVFQ-DEOSSOPVSA-N 1 0 491.613 5.481 50 0 JKAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC(=O)c4ccc(Cl)cc4)c(OC)c2)N3)C1 ZINC000015947271 556085188 /nfs/dbraw/zinc/08/51/88/556085188.db2.gz RGOMBJLZJCHYCX-JOCHJYFZSA-N 1 0 498.004 5.436 50 0 JKAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC(=O)c4ccc(C)cc4)c(OC)c2)N3)C1 ZINC000015947414 556085279 /nfs/dbraw/zinc/08/52/79/556085279.db2.gz QCSICCCUJQHYMJ-QHCPKHFHSA-N 1 0 477.586 5.091 50 0 JKAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC(=O)c4ccc(C)cc4)c(OC)c2)N3)C1 ZINC000015947416 556085526 /nfs/dbraw/zinc/08/55/26/556085526.db2.gz QCSICCCUJQHYMJ-HSZRJFAPSA-N 1 0 477.586 5.091 50 0 JKAARO Cc1cc(Br)c(NC(=O)[C@H](C)[NH2+][C@@H]2CCCc3ccccc32)c(Br)c1 ZINC000012630879 556093387 /nfs/dbraw/zinc/09/33/87/556093387.db2.gz BEOGAYAWHNPLBW-SCLBCKFNSA-N 1 0 466.217 5.514 50 0 JKAARO Cc1cccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)NC[C@H](c3ccccc3)[NH+]3CCCC3)c2)c1 ZINC000012631233 556093664 /nfs/dbraw/zinc/09/36/64/556093664.db2.gz WTQLKSCMTAVJPW-RUZDIDTESA-N 1 0 498.048 5.016 50 0 JKAARO C[NH+](C)Cc1ccc(NC(=O)c2cc(S(=O)(=O)Nc3ccccc3F)c(Cl)cc2Cl)cc1 ZINC000023899203 556099302 /nfs/dbraw/zinc/09/93/02/556099302.db2.gz OXBJHAWJDQLZOC-UHFFFAOYSA-N 1 0 496.391 5.247 50 0 JKAARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH+]4CCC(C(O)(c5ccccc5)c5ccccc5)CC4)[C@H]3C=C12 ZINC000012661711 556101317 /nfs/dbraw/zinc/10/13/17/556101317.db2.gz VIDORUDOYZRQID-IHZKMLDFSA-N 1 0 499.695 5.949 50 0 biogenic JKAARO O=C(N[C@H](OC[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C(Cl)(Cl)Cl)c1ccc(Cl)cc1 ZINC000016041266 556121498 /nfs/dbraw/zinc/12/14/98/556121498.db2.gz OXYYGWFHYWELQU-UWWQBHOKSA-N 1 0 454.225 5.047 50 0 JKAARO O=C(N[C@H](OC[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C(Cl)(Cl)Cl)c1cccc(Cl)c1 ZINC000016041302 556121531 /nfs/dbraw/zinc/12/15/31/556121531.db2.gz DWGJOEKNMCQDLE-UWWQBHOKSA-N 1 0 454.225 5.047 50 0 JKAARO C[C@@H](OC[C@@H](O)C[NH+]1CCC(C(O)(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000016043656 556123129 /nfs/dbraw/zinc/12/31/29/556123129.db2.gz ICEYOUKMGLFQNF-DFHRPNOPSA-N 1 0 480.048 5.427 50 0 JKAARO COc1ccccc1NC(=O)c1ccc(NC(=O)C[NH2+][C@@H](C)c2cccc3ccccc32)cc1 ZINC000012915595 556134642 /nfs/dbraw/zinc/13/46/42/556134642.db2.gz CEEUZCRAUSKIQT-IBGZPJMESA-N 1 0 453.542 5.390 50 0 JKAARO Cc1ccc(C)c(N2CC[NH+](CCCNC(=S)Nc3ccc(Cl)cc3Cl)CC2)c1 ZINC000016393867 556137226 /nfs/dbraw/zinc/13/72/26/556137226.db2.gz MGPGDVLFVNVHBR-UHFFFAOYSA-N 1 0 451.467 5.109 50 0 JKAARO COc1cccc([C@@H](CNC(=O)c2sc3nc(-c4ccco4)nc(C)c3c2C)[NH+]2CCCC2)c1 ZINC000012922600 556141347 /nfs/dbraw/zinc/14/13/47/556141347.db2.gz OCYIZMBFPFYXNG-HXUWFJFHSA-N 1 0 476.602 5.144 50 0 JKAARO Cn1cncc1[C@@]([NH3+])(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C ZINC000024809155 556156149 /nfs/dbraw/zinc/15/61/49/556156149.db2.gz PLHJCIYEEKOWNM-HHHXNRCGSA-N 1 0 489.406 5.496 50 0 investigational JKAARO CC[NH+](CC)CCCn1c(S[C@@H](C)C(=O)Nc2cccc(Cl)c2C)nc2ccccc2c1=O ZINC000016980567 556194838 /nfs/dbraw/zinc/19/48/38/556194838.db2.gz WNYPMSYIQXMPPT-SFHVURJKSA-N 1 0 487.069 5.210 50 0 JKAARO COc1ccc([C@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)C[NH+]2CCCCCCC2)cc1 ZINC000025392285 556212461 /nfs/dbraw/zinc/21/24/61/556212461.db2.gz YJGBVQZHDKGUNM-MUUNZHRXSA-N 1 0 455.602 5.792 50 0 JKAARO COc1cccc([C@H]2C[NH2+][C@@H](c3ccc(C(F)(F)F)cc3)c3[nH]c4ccccc4c32)c1OC ZINC000025461664 556217047 /nfs/dbraw/zinc/21/70/47/556217047.db2.gz LYEMGMUNUMROOV-XXBNENTESA-N 1 0 452.476 6.028 50 0 JKAARO COc1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@H+](C(C)C)C3)cc1OC ZINC000017113394 556218332 /nfs/dbraw/zinc/21/83/32/556218332.db2.gz XDMMNBCYVJHABI-UHFFFAOYSA-N 1 0 493.654 6.061 50 0 JKAARO CC(C)[N@@H+]1CCc2c(sc(NC(=O)c3ccc(F)cc3)c2-c2nc3ccccc3s2)C1 ZINC000017113398 556218363 /nfs/dbraw/zinc/21/83/63/556218363.db2.gz DZTKCOPEXSLBTG-UHFFFAOYSA-N 1 0 451.592 6.183 50 0 JKAARO Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)c1 ZINC000025521457 556219089 /nfs/dbraw/zinc/21/90/89/556219089.db2.gz URBJOCFYQLNEKX-UHFFFAOYSA-N 1 0 485.657 5.351 50 0 JKAARO CN(C)c1ccc([C@H]2Oc3ccc(Cl)cc3C3=C2[C@@H](c2ccccc2)N2NC=NC2=N3)cc1 ZINC000025560690 556221195 /nfs/dbraw/zinc/22/11/95/556221195.db2.gz PNTNMFDRXVFTKX-JWQCQUIFSA-N 1 0 455.949 5.210 50 0 JKAARO CCC[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccc(F)cc3)=NN12 ZINC000025578490 556224315 /nfs/dbraw/zinc/22/43/15/556224315.db2.gz HCPSFARKPCRFOB-OAQYLSRUSA-N 1 0 458.375 5.334 50 0 JKAARO C[C@H]([NH2+]CCc1ccccc1)c1cccc(COc2nn3c(nnc3C(F)(F)F)c3ccccc32)n1 ZINC000026489026 556255166 /nfs/dbraw/zinc/25/51/66/556255166.db2.gz IVJMPNWKSHRNIF-KRWDZBQOSA-N 1 0 492.505 5.164 50 0 JKAARO CCOc1ccc([C@H]([NH2+]CC(=O)Nc2c(C)nn(-c3ccccc3)c2C)C(C)C)cc1OCC ZINC000027380388 556277753 /nfs/dbraw/zinc/27/77/53/556277753.db2.gz JPYFCWLMWPFDIH-AREMUKBSSA-N 1 0 464.610 5.212 50 0 JKAARO Cc1c2ccc(Br)cc2oc1C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCCC1 ZINC000027584683 556300476 /nfs/dbraw/zinc/30/04/76/556300476.db2.gz OYKOCHRARRXZLL-NRFANRHFSA-N 1 0 455.396 5.769 50 0 JKAARO Cc1cc(N2CC[NH+](CCOc3cccc4ccccc43)CC2)n2ncc(-c3ccccc3Cl)c2n1 ZINC000027585602 556300518 /nfs/dbraw/zinc/30/05/18/556300518.db2.gz GKMPQHZWPCPBRH-UHFFFAOYSA-N 1 0 498.030 5.712 50 0 JKAARO Cc1c2ccc(Br)cc2oc1C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCCC1 ZINC000027584679 556300543 /nfs/dbraw/zinc/30/05/43/556300543.db2.gz OYKOCHRARRXZLL-OAQYLSRUSA-N 1 0 455.396 5.769 50 0 JKAARO Cc1ccc(-c2cnn3c2nc(C)cc3N2CC[NH+](CCOc3cccc4ccccc43)CC2)cc1 ZINC000027585858 556300641 /nfs/dbraw/zinc/30/06/41/556300641.db2.gz LFSLMHKOZRXHLA-UHFFFAOYSA-N 1 0 477.612 5.367 50 0 JKAARO COc1ccc([C@H](CNC(=O)c2oc3ccc(Br)cc3c2C)[NH+]2CCCCCC2)cc1 ZINC000027662244 556301700 /nfs/dbraw/zinc/30/17/00/556301700.db2.gz NFIHBOXLQAQPCY-QFIPXVFZSA-N 1 0 485.422 5.859 50 0 JKAARO COc1ccc([C@H](CNC(=O)c2oc3cc(Br)ccc3c2C)[NH+]2CCCCCC2)cc1 ZINC000027662248 556302146 /nfs/dbraw/zinc/30/21/46/556302146.db2.gz BSKRCBFVZUWTOJ-QFIPXVFZSA-N 1 0 485.422 5.859 50 0 JKAARO CC(C)(C)c1ccc([C@@H](CNC(=O)c2cc(=O)c3cc(Br)ccc3o2)[NH+]2CCCC2)cc1 ZINC000028290103 556327913 /nfs/dbraw/zinc/32/79/13/556327913.db2.gz NMIZCIATVUFDBW-OAQYLSRUSA-N 1 0 497.433 5.420 50 0 JKAARO C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)Cn1c(-c2ccccc2)c(-c2ccccc2)c2ccc3ccccc3c21 ZINC000028296598 556330976 /nfs/dbraw/zinc/33/09/76/556330976.db2.gz ABGJQFSDZULDCZ-HVOSOHGQSA-N 1 0 488.675 7.658 50 0 JKAARO CCn1c(C)c(C(C)=O)c2cc(OC[C@H](O)C[NH+](C3CCCCC3)C3CCCCC3)ccc21 ZINC000028296552 556331026 /nfs/dbraw/zinc/33/10/26/556331026.db2.gz ASDJHOZCHWCGMV-XMMPIXPASA-N 1 0 454.655 5.879 50 0 JKAARO CC[C@@H](C)[NH2+]C[C@H](O)Cn1c2ccc(Br)cc2c2cc(Br)ccc21 ZINC000028297142 556331488 /nfs/dbraw/zinc/33/14/88/556331488.db2.gz LRXGAQSCTJRCOM-DOMZBBRYSA-N 1 0 454.206 5.069 50 0 JKAARO Cc1cc2oc(C(=O)NC[C@H](c3ccc(C(C)(C)C)cc3)[NH+]3CCCCC3)cc(=O)c2cc1Cl ZINC000028402824 556332348 /nfs/dbraw/zinc/33/23/48/556332348.db2.gz PSRNDSJFNMWOBL-HSZRJFAPSA-N 1 0 481.036 6.009 50 0 JKAARO Cc1ccc(N2CC[NH+](C[C@@H](O)Cn3c4ccc(Cl)cc4c4cc(Cl)ccc43)CC2)cc1 ZINC000028464369 556333819 /nfs/dbraw/zinc/33/38/19/556333819.db2.gz DWGJRWQMICUWSN-JOCHJYFZSA-N 1 0 468.428 5.593 50 0 JKAARO CC(=O)N1CCc2cc(C(=O)[C@H](C)[NH2+]C[C@H](c3c[nH]c4ccccc43)c3ccccc3)ccc21 ZINC000028654311 556339060 /nfs/dbraw/zinc/33/90/60/556339060.db2.gz WRLFNFFZUCMLKI-DFBJGRDBSA-N 1 0 451.570 5.070 50 0 JKAARO O[C@@H](Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21)C[NH+]1CCN(C/C=C/c2ccccc2)CC1 ZINC000019313137 556339784 /nfs/dbraw/zinc/33/97/84/556339784.db2.gz UAAIAELDYVRREY-PTGVWUEVSA-N 1 0 494.466 5.793 50 0 JKAARO CCn1c2ccccc2c2cc(C[NH+]3CCN(Cc4cc(OC)c(OC)cc4OC)CC3)ccc21 ZINC000019369753 556346550 /nfs/dbraw/zinc/34/65/50/556346550.db2.gz LUSVBYOQZWTIPR-UHFFFAOYSA-N 1 0 473.617 5.158 50 0 JKAARO c1ccc(C(c2ccccc2)N2CC[NH+]([C@H]3Cc4ccccc4Sc4ccccc43)CC2)cc1 ZINC000019370785 556346633 /nfs/dbraw/zinc/34/66/33/556346633.db2.gz ZBIBZVREOIJCAI-NDEPHWFRSA-N 1 0 462.662 6.842 50 0 JKAARO CCCCc1ccc([C@@H]([NH2+]CC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)C(C)C)cc1 ZINC000029194163 556348971 /nfs/dbraw/zinc/34/89/71/556348971.db2.gz JNLQBTOEGWGGRY-QHCPKHFHSA-N 1 0 451.032 5.012 50 0 JKAARO CCCCc1ccc([C@H]([NH2+]CC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)C(C)C)cc1 ZINC000029194166 556348980 /nfs/dbraw/zinc/34/89/80/556348980.db2.gz JNLQBTOEGWGGRY-HSZRJFAPSA-N 1 0 451.032 5.012 50 0 JKAARO O=C(Nc1ccc(F)cc1)[C@@H]([NH2+]C[C@@H](c1c[nH]c2ccccc21)c1ccccc1)c1ccccc1 ZINC000013131752 556358114 /nfs/dbraw/zinc/35/81/14/556358114.db2.gz UZTSBDMMRJSSJV-UHSQPCAPSA-N 1 0 463.556 6.409 50 0 JKAARO CC[NH+](CC)CCn1c(=O)c2ccccc2nc1SCc1csc(-c2ccc(C)cc2)n1 ZINC000013137837 556368980 /nfs/dbraw/zinc/36/89/80/556368980.db2.gz HNSJAQVUINCRCD-UHFFFAOYSA-N 1 0 464.660 5.463 50 0 JKAARO Cc1oc2cc3oc(=O)c(CCC(=O)NC4CC[NH+](Cc5ccccc5)CC4)c(C)c3cc2c1C ZINC000030819231 556374891 /nfs/dbraw/zinc/37/48/91/556374891.db2.gz RKQNVTJSJBSQRP-UHFFFAOYSA-N 1 0 472.585 5.178 50 0 JKAARO O[C@H](Cn1c(-c2ccccc2)c(-c2ccccc2)c2ccc3ccccc3c21)C[NH+]1CCOCC1 ZINC000019800320 556377466 /nfs/dbraw/zinc/37/74/66/556377466.db2.gz CBXVNVGAGQBJIV-SANMLTNESA-N 1 0 462.593 5.822 50 0 JKAARO O=c1c2c(ncn1Cc1ccccc1)sc1c2CC[C@H]([NH2+]Cc2cccc(C(F)(F)F)c2)C1 ZINC000019810378 556381256 /nfs/dbraw/zinc/38/12/56/556381256.db2.gz OKLLPXYUQZFFHP-IBGZPJMESA-N 1 0 469.532 5.172 50 0 JKAARO CC[NH+](CC)CC[C@]1(c2ccccc2)CN(N(C)Cc2cccc(OC)c2Cl)c2ccccc21 ZINC000031518888 556398608 /nfs/dbraw/zinc/39/86/08/556398608.db2.gz PHGQOXNHZGZZQS-GDLZYMKVSA-N 1 0 478.080 6.234 50 0 JKAARO CC[NH+](CC)CC[C@@]1(c2ccccc2)c2ccccc2N(N(C)Cc2cc(Cl)ccc2OC)C1=O ZINC000031982186 556412345 /nfs/dbraw/zinc/41/23/45/556412345.db2.gz FBPWURHNRZYCOS-GDLZYMKVSA-N 1 0 492.063 5.760 50 0 JKAARO CCNC(=O)[C@@H]1C[C@H]([NH2+]Cc2cccc(Oc3ccccc3)c2)CN1Cc1ccccc1Cl ZINC000032534913 556444385 /nfs/dbraw/zinc/44/43/85/556444385.db2.gz VWDIORIIJULSNE-NVQXNPDNSA-N 1 0 464.009 5.001 50 0 JKAARO O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCCCC1)c1cc(-c2ccc3c(c2)OCCO3)on1 ZINC000032622674 556452442 /nfs/dbraw/zinc/45/24/42/556452442.db2.gz LTHLUVOMOFDWAP-QFIPXVFZSA-N 1 0 481.980 5.113 50 0 JKAARO CCCCOc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000032622867 556452740 /nfs/dbraw/zinc/45/27/40/556452740.db2.gz RNVDITLMDXCOQV-HSZRJFAPSA-N 1 0 468.981 5.122 50 0 JKAARO C[NH+](C)CCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000032622858 556452752 /nfs/dbraw/zinc/45/27/52/556452752.db2.gz JTDZAWCUESOPFF-LJQANCHMSA-N 1 0 465.764 5.250 50 0 JKAARO CCCCOc1cccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCC[NH+](C)C)c1 ZINC000032622846 556452792 /nfs/dbraw/zinc/45/27/92/556452792.db2.gz HRYDGBRYSOLZNE-QHCPKHFHSA-N 1 0 468.981 5.122 50 0 JKAARO CC[NH+](CC)CCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@@H]1c1cccc(Cl)c1 ZINC000032623548 556453348 /nfs/dbraw/zinc/45/33/48/556453348.db2.gz HLRYAXDRVVTALM-NRFANRHFSA-N 1 0 459.373 5.377 50 0 JKAARO CC[NH+](CC)CCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@H]1c1cccc(Cl)c1 ZINC000032623549 556453365 /nfs/dbraw/zinc/45/33/65/556453365.db2.gz HLRYAXDRVVTALM-OAQYLSRUSA-N 1 0 459.373 5.377 50 0 JKAARO COc1ccc([C@@H](CNC(=O)c2cc(-c3ccc4c(c3)CCCC4)on2)[NH+]2CCCCC2)cc1 ZINC000032624330 556454307 /nfs/dbraw/zinc/45/43/07/556454307.db2.gz LSZYRXQFRFRJRK-AREMUKBSSA-N 1 0 459.590 5.186 50 0 JKAARO COc1ccc([C@H](CNC(=O)c2cc(-c3ccc4c(c3)CCCC4)on2)[NH+]2CCCCC2)cc1 ZINC000032624332 556454406 /nfs/dbraw/zinc/45/44/06/556454406.db2.gz LSZYRXQFRFRJRK-SANMLTNESA-N 1 0 459.590 5.186 50 0 JKAARO COc1ccc(NC(C)=O)cc1NC(=O)C[N@H+](Cc1ccc(Cl)cc1)[C@H](C)Cc1cccs1 ZINC000032836187 556507168 /nfs/dbraw/zinc/50/71/68/556507168.db2.gz QYVZLODPMBUKRN-QGZVFWFLSA-N 1 0 486.037 5.440 50 0 JKAARO CCCc1cc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)n2nc3nc(C)cc(C)c3c2n1 ZINC000032929393 556545577 /nfs/dbraw/zinc/54/55/77/556545577.db2.gz MPAOTOLCZLCDCJ-UHFFFAOYSA-N 1 0 490.655 5.758 50 0 JKAARO Cc1nn2c(nc(C(C)(C)C)cc2N2CC[NH+](Cc3ccc(C)cc3C)CC2)c1-c1ccc(F)cc1 ZINC000032929406 556545631 /nfs/dbraw/zinc/54/56/31/556545631.db2.gz JAVVOBCKQXKSJR-UHFFFAOYSA-N 1 0 485.651 6.080 50 0 JKAARO Cc1ccc(C)c(C[NH+]2CCC(CNC(=O)c3c4ccccc4nnc3-c3ccccc3)CC2)c1 ZINC000032953235 556568432 /nfs/dbraw/zinc/56/84/32/556568432.db2.gz ATOJSLUROVGWIO-UHFFFAOYSA-N 1 0 464.613 5.556 50 0 JKAARO Cc1cccc(C[NH+]2CCC(CNC(=O)c3c4ccccc4nnc3-c3ccccc3)CC2)c1 ZINC000032953146 556568508 /nfs/dbraw/zinc/56/85/08/556568508.db2.gz YDJFLYAPZNODNW-UHFFFAOYSA-N 1 0 450.586 5.247 50 0 JKAARO Cc1ccccc1C[NH+]1CCC(CNC(=O)c2c3ccccc3nnc2-c2ccccc2)CC1 ZINC000032953229 556568513 /nfs/dbraw/zinc/56/85/13/556568513.db2.gz DMYMDUDGJTZTGQ-UHFFFAOYSA-N 1 0 450.586 5.247 50 0 JKAARO COc1cc(C(=O)NCC2([NH+](C)C)CCCCC2)cc(Br)c1OCc1ccccc1 ZINC000032960787 556577274 /nfs/dbraw/zinc/57/72/74/556577274.db2.gz NDVJKNUJHPCRFX-UHFFFAOYSA-N 1 0 475.427 5.031 50 0 JKAARO O=C(Nc1c2ccccc2oc1C(=O)N1CCC([NH+]2CCCCC2)CC1)c1c(F)cccc1F ZINC000008597111 562944668 /nfs/dbraw/zinc/94/46/68/562944668.db2.gz SAZJOQSSYFKWTG-UHFFFAOYSA-N 1 0 467.516 5.054 50 0 JKAARO CC1CC[NH+](CCNC(=O)c2ccc(Cn3c(SCc4ccccc4)nc4cccnc43)cc2)CC1 ZINC000008610082 562947439 /nfs/dbraw/zinc/94/74/39/562947439.db2.gz NNUAOGDCNFXTNU-UHFFFAOYSA-N 1 0 499.684 5.234 50 0 JKAARO CCOc1cc(C[NH2+]C(C)(C)CO)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000008666879 562948984 /nfs/dbraw/zinc/94/89/84/562948984.db2.gz FVSMZXPZIKTWEG-UHFFFAOYSA-N 1 0 477.226 5.594 50 0 JKAARO O[C@@H](C[NH2+]Cc1ccco1)Cn1c2ccc(Br)cc2c2cc(Br)ccc21 ZINC000008670963 562949355 /nfs/dbraw/zinc/94/93/55/562949355.db2.gz BSYTXNNGKZNYPB-HNNXBMFYSA-N 1 0 478.184 5.063 50 0 aggregator JKAARO CC[NH+]1CCC(N(Cc2ccc3c(c2)OCO3)C(=O)Nc2ccc(Br)c(C)c2)CC1 ZINC000008674061 562950410 /nfs/dbraw/zinc/95/04/10/562950410.db2.gz BECCQDPSWCQUJT-UHFFFAOYSA-N 1 0 474.399 5.005 50 0 JKAARO CC(C)(C)c1cc(C(=O)Cn2c3ccccc3n(CC[NH+]3CCCCC3)c2=N)cc(C(C)(C)C)c1O ZINC000008691861 562954215 /nfs/dbraw/zinc/95/42/15/562954215.db2.gz AVEDPTZUFCVDIR-UHFFFAOYSA-N 1 0 490.692 5.592 50 0 JKAARO COc1cc2nc(N3CCC([NH+]4CCCCC4)CC3)nc(NC3CCCCCC3)c2cc1OC ZINC000040379917 563137374 /nfs/dbraw/zinc/13/73/74/563137374.db2.gz WYVBISCFCHREDA-UHFFFAOYSA-N 1 0 467.658 5.236 50 0 in-vitro JKAARO Cc1sc(NC(=O)c2ccco2)c([C@@H](c2ccc(C)cc2)[NH+]2CCN(c3ccccc3)CC2)c1C ZINC000054073007 569589142 /nfs/dbraw/zinc/58/91/42/569589142.db2.gz LBCPBYGOHLJIDS-HHHXNRCGSA-N 1 0 485.653 6.430 50 0 JKAARO Clc1ccc(OCC[NH+]2CCN(c3ncnc4scc(-c5cccs5)c43)CC2)cc1 ZINC000054074898 569589270 /nfs/dbraw/zinc/58/92/70/569589270.db2.gz BDZWDLLQSAIQCA-UHFFFAOYSA-N 1 0 457.024 5.274 50 0 JKAARO Cc1cc(N2CC[NH+](CCOc3cccc4ccccc43)CC2)n2ncc(-c3ccc(Cl)cc3)c2n1 ZINC000054284494 569589804 /nfs/dbraw/zinc/58/98/04/569589804.db2.gz DDBAETZOCHORSM-UHFFFAOYSA-N 1 0 498.030 5.712 50 0 JKAARO O=C(Nc1nc2ccccc2n1CC[NH+]1CCCCC1)c1cccc(COc2ccc(Cl)cc2)c1 ZINC000008440483 569589984 /nfs/dbraw/zinc/58/99/84/569589984.db2.gz NFMPRBIJRGIVPW-UHFFFAOYSA-N 1 0 489.019 6.007 50 0 JKAARO CCOC(=O)c1c(-c2ccc(-c3ccccc3)cc2)csc1NC(=O)C[NH2+]Cc1ccccc1 ZINC000054581978 569590333 /nfs/dbraw/zinc/59/03/33/569590333.db2.gz LDBJSKJJQXLSCH-UHFFFAOYSA-N 1 0 470.594 5.987 50 0 JKAARO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1ccc(Br)cc1 ZINC000054956590 569590342 /nfs/dbraw/zinc/59/03/42/569590342.db2.gz FGWLTNQDGVDBPY-UHFFFAOYSA-N 1 0 450.380 5.024 50 0 JKAARO O=C(c1cn(-c2ccccc2)nc1-c1ccccc1)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000008455208 569591604 /nfs/dbraw/zinc/59/16/04/569591604.db2.gz OMFXYRKFPSARQA-UHFFFAOYSA-N 1 0 466.629 5.266 50 0 JKAARO Cc1ccc(C[NH+]2CCN(c3cccc4c3C(=O)N(Cc3ccc(C(F)(F)F)cc3)C4=O)CC2)s1 ZINC000055324905 569591692 /nfs/dbraw/zinc/59/16/92/569591692.db2.gz JCLXSRNHMIRWAT-UHFFFAOYSA-N 1 0 499.558 5.194 50 0 JKAARO CCOc1ccc(NC(=O)c2c(NC(=O)C[NH2+][C@@H](C)c3ccccc3)sc3c2CCC3)cc1 ZINC000055505502 569591864 /nfs/dbraw/zinc/59/18/64/569591864.db2.gz TVGPBTBSPSWGTN-KRWDZBQOSA-N 1 0 463.603 5.177 50 0 JKAARO CCOC(=O)c1ccc2c(c1)c1c(n2CC[NH+](Cc2ccccc2)Cc2ccccc2)C(=O)CCCC1 ZINC000055455706 569592011 /nfs/dbraw/zinc/59/20/11/569592011.db2.gz SSHKUAMKLXSIDI-UHFFFAOYSA-N 1 0 494.635 6.430 50 0 JKAARO Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)c1 ZINC000055529232 569592177 /nfs/dbraw/zinc/59/21/77/569592177.db2.gz AXBKPKQFUULIDR-UHFFFAOYSA-N 1 0 457.618 5.458 50 0 JKAARO CCOC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(NC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000057222930 569594713 /nfs/dbraw/zinc/59/47/13/569594713.db2.gz OOCGTBMKOPODGM-UHFFFAOYSA-N 1 0 499.655 5.735 50 0 JKAARO COC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000057222817 569594777 /nfs/dbraw/zinc/59/47/77/569594777.db2.gz GRNUPIKQHPKBMF-UHFFFAOYSA-N 1 0 498.410 5.355 50 0 JKAARO CCOC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(NC(=O)c2ccc(C(C)C)cc2)c1 ZINC000057222925 569594814 /nfs/dbraw/zinc/59/48/14/569594814.db2.gz ANULNORHJWTNMG-UHFFFAOYSA-N 1 0 485.628 5.561 50 0 JKAARO CCOC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(NC(=O)c2ccc(C)c(Cl)c2)c1 ZINC000057222896 569594839 /nfs/dbraw/zinc/59/48/39/569594839.db2.gz OIZOIMOUBQZARG-UHFFFAOYSA-N 1 0 492.019 5.400 50 0 JKAARO Cc1cc(OCC(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)cc(C)c1Cl ZINC000057254341 569594880 /nfs/dbraw/zinc/59/48/80/569594880.db2.gz VTGYRZKIKXQEOG-UHFFFAOYSA-N 1 0 464.009 5.297 50 0 JKAARO CCOc1cc(OCC)cc(C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)c1 ZINC000057256223 569594903 /nfs/dbraw/zinc/59/49/03/569594903.db2.gz UFPJOFMCFBQSLP-UHFFFAOYSA-N 1 0 459.590 5.059 50 0 JKAARO Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)cc1Cl ZINC000057251273 569594965 /nfs/dbraw/zinc/59/49/65/569594965.db2.gz XNEYGXCCFKEBBQ-UHFFFAOYSA-N 1 0 479.049 5.097 50 0 JKAARO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1cc(=O)c2cc(Cl)ccc2o1 ZINC000057292136 569595927 /nfs/dbraw/zinc/59/59/27/569595927.db2.gz BMOILPPDOGCPBF-UHFFFAOYSA-N 1 0 473.960 5.021 50 0 JKAARO Cc1[nH]c2ccc(N3CCOCC3)cc2c(=O)c1C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000008717443 569596668 /nfs/dbraw/zinc/59/66/68/569596668.db2.gz KPRLLAUMVDSZKR-UHFFFAOYSA-N 1 0 453.586 5.288 50 0 JKAARO Brc1ccc2c(c1)[C@@H]1CC(c3ccco3)=NN1C1(CC[NH+](Cc3ccccc3)CC1)O2 ZINC000008717735 569596758 /nfs/dbraw/zinc/59/67/58/569596758.db2.gz QAKZPLCLMXLXHV-QFIPXVFZSA-N 1 0 478.390 5.578 50 0 JKAARO COc1cccc2c1OC1(CC[NH+](Cc3ccccc3)CC1)N1N=C(c3ccc(Cl)cc3)C[C@H]21 ZINC000008717747 569596824 /nfs/dbraw/zinc/59/68/24/569596824.db2.gz TZCXXBJZMMGAAJ-RUZDIDTESA-N 1 0 474.004 5.884 50 0 JKAARO COc1ccc(-c2csc3ncnc(N4CC[NH+](Cc5cccc6cccnc65)CC4)c23)cc1 ZINC000057380556 569599510 /nfs/dbraw/zinc/59/95/10/569599510.db2.gz OLLDOPAPEBBNIU-UHFFFAOYSA-N 1 0 467.598 5.237 50 0 JKAARO CCN1c2ccccc2C=CC1=CC=C1CCCC(/C=C\c2ccc3ccccc3[n+]2CC)=C1Cl ZINC000059436006 569603858 /nfs/dbraw/zinc/60/38/58/569603858.db2.gz ISYZVMAKFHNJIF-UHFFFAOYSA-N 1 0 480.075 8.201 50 0 JKAARO Cc1ccc(-c2nn(-c3ccccc3)cc2CCC(=O)NCCC[N@@H+](C)Cc2ccccc2)cc1 ZINC000032974932 569605928 /nfs/dbraw/zinc/60/59/28/569605928.db2.gz GQGLCICRAYMELE-UHFFFAOYSA-N 1 0 466.629 5.419 50 0 JKAARO CC[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1Cl)O2 ZINC000032983917 569607190 /nfs/dbraw/zinc/60/71/90/569607190.db2.gz CSEGIVFAYHEHFO-PPEIKGMUSA-N 1 0 490.003 5.352 50 0 JKAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1cccc(Cl)c1)O2 ZINC000032983999 569607256 /nfs/dbraw/zinc/60/72/56/569607256.db2.gz PVELPIPJAPJQTR-SSHUPFPWSA-N 1 0 467.997 5.096 50 0 JKAARO CCOc1cc(-c2cccc(Cl)c2)nc2ccc(C(=O)N3CC[NH+](C4CCCCC4)CC3)cc21 ZINC000032986640 569608927 /nfs/dbraw/zinc/60/89/27/569608927.db2.gz GSLXVEUETNSSMH-UHFFFAOYSA-N 1 0 478.036 6.044 50 0 JKAARO O=C(c1ccccc1)[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C(=O)c2ccccc2)C1c1ccccc1 ZINC000061967325 569609591 /nfs/dbraw/zinc/60/95/91/569609591.db2.gz IPWAFJULWVHAIF-FQLXRVMXSA-N 1 0 459.589 6.284 50 0 JKAARO Clc1ccc(C[NH+](Cc2ccc(Br)cc2)Cc2ccc(Br)cc2)cc1 ZINC000062330639 569610584 /nfs/dbraw/zinc/61/05/84/569610584.db2.gz ULPJUEXOQSUXOR-UHFFFAOYSA-N 1 0 479.643 7.067 50 0 JKAARO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1ccccc1SC[C@@H]1CCCO1 ZINC000062289248 569610541 /nfs/dbraw/zinc/61/05/41/569610541.db2.gz OFMBBHWAHMQGDP-SANMLTNESA-N 1 0 487.669 5.532 50 0 JKAARO CC[N@H+](CCNC(=O)c1cccc(Nc2ccc(-c3ccccc3)nn2)c1)Cc1ccccc1 ZINC000032997032 569610901 /nfs/dbraw/zinc/61/09/01/569610901.db2.gz OKRCRRFUQSJVRS-UHFFFAOYSA-N 1 0 451.574 5.139 50 0 JKAARO CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)c2sc3ccccc3c2Cl)CC1 ZINC000062587470 569612095 /nfs/dbraw/zinc/61/20/95/569612095.db2.gz JEBMSSKARJGRIT-YYWHXJBOSA-N 1 0 488.097 5.271 50 0 JKAARO CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2C(=O)c2sc3ccccc3c2Cl)CC1 ZINC000062587473 569612106 /nfs/dbraw/zinc/61/21/06/569612106.db2.gz JEBMSSKARJGRIT-QMMLZNLJSA-N 1 0 488.097 5.271 50 0 JKAARO COc1c(Cl)cc(C(=O)Nc2ccccc2N2CC[NH+](CCc3ccncc3)CC2)cc1Cl ZINC000062626302 569613750 /nfs/dbraw/zinc/61/37/50/569613750.db2.gz YCOBYTAZIFRGHS-UHFFFAOYSA-N 1 0 485.415 5.014 50 0 JKAARO Cc1noc(C)c1COc1cccc(C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)c1 ZINC000062728455 569614690 /nfs/dbraw/zinc/61/46/90/569614690.db2.gz AJSIDDGMDFIOJW-UHFFFAOYSA-N 1 0 496.611 5.445 50 0 JKAARO COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)C[NH2+][C@@H](C)c1cccc2ccccc21 ZINC000062734765 569614770 /nfs/dbraw/zinc/61/47/70/569614770.db2.gz HHIXYLLNOLFMGL-IBGZPJMESA-N 1 0 483.568 5.399 50 0 JKAARO O=S(=O)(NC[C@@H](c1ccccc1)[N@H+](Cc1cccs1)C1CCCCC1)c1ccc(Cl)cc1 ZINC000063515025 569615332 /nfs/dbraw/zinc/61/53/32/569615332.db2.gz IFSDOOFDLSFPBE-VWLOTQADSA-N 1 0 489.106 6.256 50 0 JKAARO O=S(=O)(NC[C@H](c1ccccc1)[N@H+](Cc1cccs1)C1CCCCC1)c1ccc(Cl)cc1 ZINC000063515024 569615337 /nfs/dbraw/zinc/61/53/37/569615337.db2.gz IFSDOOFDLSFPBE-RUZDIDTESA-N 1 0 489.106 6.256 50 0 JKAARO O=C(CNC1CC[NH+](Cc2ccccc2)CC1)Nc1ccc(Cl)cc1C(=O)c1ccccc1Cl ZINC000063598659 569615542 /nfs/dbraw/zinc/61/55/42/569615542.db2.gz YWAGSEBYLLIFLM-UHFFFAOYSA-N 1 0 496.438 5.417 50 0 JKAARO CC[N@H+](CCNC(=O)c1ccc(Nc2ccnc(-c3cccc(F)c3)n2)cc1)Cc1ccccc1 ZINC000064472984 569617768 /nfs/dbraw/zinc/61/77/68/569617768.db2.gz OVYXTKUMEKNJBE-UHFFFAOYSA-N 1 0 469.564 5.278 50 0 JKAARO CC[N@H+](CCNC(=O)c1ccc(Nc2ccnc(-c3ccccc3)n2)cc1)Cc1ccccc1 ZINC000064472991 569617830 /nfs/dbraw/zinc/61/78/30/569617830.db2.gz YQFIEXNPTMLJLQ-UHFFFAOYSA-N 1 0 451.574 5.139 50 0 JKAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cccc(Nc2ncc(-c3ccc(F)cc3)cn2)c1 ZINC000064605871 569622829 /nfs/dbraw/zinc/62/28/29/569622829.db2.gz WNFJPKLEHVILEW-UHFFFAOYSA-N 1 0 481.575 5.421 50 0 JKAARO CC[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1cc2c(-c3ccc(Cl)cc3)nn(C)c2s1 ZINC000064666425 569623771 /nfs/dbraw/zinc/62/37/71/569623771.db2.gz JJQHPANFCZTJIG-FQEVSTJZSA-N 1 0 467.038 5.596 50 0 JKAARO CCOc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(NC4CCCCC4)nc(C)[nH+]3)cc2)cc1 ZINC000033326894 569624033 /nfs/dbraw/zinc/62/40/33/569624033.db2.gz BAGLMYBVHCPVKE-UHFFFAOYSA-N 1 0 481.622 5.473 50 0 JKAARO CCC[NH+]1CCN(c2nn3c(nc(-c4ccc(Cl)cc4)c3NC3CCCCCC3)s2)CC1 ZINC000064746082 569625182 /nfs/dbraw/zinc/62/51/82/569625182.db2.gz YBTFWLXIYXTLDN-UHFFFAOYSA-N 1 0 473.090 5.778 50 0 JKAARO Cc1ccc(-c2nc3sc(N4CC[NH+](C5CCCCC5)CC4)nn3c2NC2CCCCCC2)cc1 ZINC000064746113 569625195 /nfs/dbraw/zinc/62/51/95/569625195.db2.gz JBRGWTIJJDMIGH-UHFFFAOYSA-N 1 0 492.737 6.356 50 0 JKAARO COc1cccc(-c2nc3sc(N4CC[NH+](C5CCCCC5)CC4)nn3c2NC2CCCCC2)c1 ZINC000064746107 569625247 /nfs/dbraw/zinc/62/52/47/569625247.db2.gz FLXFNIUEJYDPNI-UHFFFAOYSA-N 1 0 494.709 5.666 50 0 JKAARO Fc1cccc(-c2nc3sc(N4CC[NH+](C5CCCCC5)CC4)nn3c2NC2CCCCC2)c1 ZINC000064746104 569625266 /nfs/dbraw/zinc/62/52/66/569625266.db2.gz LUFRZLNCNJEYKZ-UHFFFAOYSA-N 1 0 482.673 5.796 50 0 JKAARO CCc1ccc(-c2nc3sc(N4CC[NH+](C5CCCCC5)CC4)nn3c2NC(C)(C)C)cc1 ZINC000064746116 569625337 /nfs/dbraw/zinc/62/53/37/569625337.db2.gz GQEISWVRJAWRFF-UHFFFAOYSA-N 1 0 466.699 5.685 50 0 JKAARO CC[NH+](CC)CCC[C@H](C)Nc1nc(/C=C/c2ccccc2Cl)nc2cc(Cl)ccc21 ZINC000033956745 569639434 /nfs/dbraw/zinc/63/94/34/569639434.db2.gz GBQQMZXOLGTRKW-XOVFHRFOSA-N 1 0 457.449 7.029 50 0 JKAARO CCCCc1oc2ccc(N)cc2c1C(=O)c1ccc(OCCC[NH+](CCCC)CCCC)cc1 ZINC000034587279 569640278 /nfs/dbraw/zinc/64/02/78/569640278.db2.gz SPIIBUQYWNFELT-UHFFFAOYSA-N 1 0 478.677 7.260 50 0 JKAARO CC[C@@H](Oc1ccc2c(c1)[C@H](c1ccccc1)[N@@H+](Cc1cccc(C)c1)CC2)C(=O)NCCOC ZINC000034671640 569640709 /nfs/dbraw/zinc/64/07/09/569640709.db2.gz QPSONGGBLIJULB-WDYNHAJCSA-N 1 0 472.629 5.063 50 0 JKAARO O=C(NCc1cccc(C(F)(F)F)c1)[C@@H]1CC[C@H](c2ccccc2)[N@H+](Cc2ccc(F)cc2F)C1 ZINC000034669767 569640723 /nfs/dbraw/zinc/64/07/23/569640723.db2.gz DUUKCQMWHIVBKA-PXDATVDWSA-N 1 0 488.500 6.253 50 0 JKAARO COc1cccc(C[N@@H+]2C[C@H](C(=O)NCc3cccc(C(F)(F)F)c3)CC[C@@H]2c2ccccc2)c1 ZINC000034669814 569640744 /nfs/dbraw/zinc/64/07/44/569640744.db2.gz QRDBQBIDDYPYCH-ZEQKJWHPSA-N 1 0 482.546 5.984 50 0 JKAARO CC[C@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@@H+](Cc1cccc(C)c1)CC2)C(=O)NCC(C)C ZINC000034671633 569640800 /nfs/dbraw/zinc/64/08/00/569640800.db2.gz CAERHAIDLRUAHF-XZWHSSHBSA-N 1 0 470.657 6.072 50 0 JKAARO COc1ccc(NC(=O)COc2ccc3c(c2)[C@H](c2ccccc2)[N@@H+](Cc2ccccc2)CC3)cc1 ZINC000034671485 569640806 /nfs/dbraw/zinc/64/08/06/569640806.db2.gz GKIWPGGGIFMGPS-HKBQPEDESA-N 1 0 478.592 5.860 50 0 JKAARO CC[C@@H](Oc1ccc2c(c1)[C@H](c1ccccc1)[N@@H+](Cc1cccc(C)c1)CC2)C(=O)NCc1ccco1 ZINC000034671650 569640961 /nfs/dbraw/zinc/64/09/61/569640961.db2.gz WIGVXPPVVIUFFQ-JSOSNVBQSA-N 1 0 494.635 6.210 50 0 JKAARO Cc1cccc(C[N@H+]2CCc3ccc(O[C@@H](C)C(=O)NCc4ccccc4)cc3[C@@H]2c2ccccc2)c1 ZINC000034671798 569640980 /nfs/dbraw/zinc/64/09/80/569640980.db2.gz DREKGJYPYNMQQH-UKJJDJLKSA-N 1 0 490.647 6.226 50 0 JKAARO O=C(Nc1ccc(N2CCC[N@@H+](Cc3cccc(F)c3)CC2)nc1)c1ccc(C(F)(F)F)cc1 ZINC000034681623 569643285 /nfs/dbraw/zinc/64/32/85/569643285.db2.gz TYMUJSFQEFUHNA-UHFFFAOYSA-N 1 0 472.486 5.204 50 0 JKAARO O=C(Nc1ccc(N2CCC[N@H+](Cc3ccccc3)CC2)nc1)c1ccc(C(F)(F)F)cc1 ZINC000034681620 569643310 /nfs/dbraw/zinc/64/33/10/569643310.db2.gz RVQZSZKINQSJBB-UHFFFAOYSA-N 1 0 454.496 5.065 50 0 JKAARO CC[C@H](C(=O)Nc1ccc(N2CCC[N@H+](Cc3ccccc3Cl)CC2)nc1)c1ccccc1 ZINC000034681877 569643596 /nfs/dbraw/zinc/64/35/96/569643596.db2.gz JQCARRYDFJNYKQ-DEOSSOPVSA-N 1 0 463.025 5.580 50 0 JKAARO CC[C@@H](C(=O)Nc1ccc(N2CCC[N@H+](Cc3cccc(C(F)(F)F)c3)CC2)nc1)c1ccccc1 ZINC000034681886 569643602 /nfs/dbraw/zinc/64/36/02/569643602.db2.gz XTPJLBMZTVZOFW-RUZDIDTESA-N 1 0 496.577 5.945 50 0 JKAARO COc1cccc(C(=O)Nc2ccc(N3CCC[N@H+](Cc4ccc(C(C)C)cc4)CC3)nc2)c1 ZINC000034681802 569643614 /nfs/dbraw/zinc/64/36/14/569643614.db2.gz MICAXVVTEXVJDC-UHFFFAOYSA-N 1 0 458.606 5.178 50 0 JKAARO CC(C)c1ccc(C[N@@H+]2CCCN(c3ccc(NC(=O)c4cc(F)cc(F)c4)cn3)CC2)cc1 ZINC000034681928 569643702 /nfs/dbraw/zinc/64/37/02/569643702.db2.gz ABRRNZYEGGOSCW-UHFFFAOYSA-N 1 0 464.560 5.448 50 0 JKAARO COc1ccc(C[NH+]2CCC(N(C(=O)c3ccccc3OC)c3ccc(F)cc3)CC2)c(OC)c1 ZINC000034682678 569643895 /nfs/dbraw/zinc/64/38/95/569643895.db2.gz AAPIFMXOWFEILJ-UHFFFAOYSA-N 1 0 478.564 5.163 50 0 JKAARO CC(C)c1ccc(C[NH+]2CCC(N(C(=O)c3cccc(Cl)c3)c3ccc(F)cc3)CC2)cc1 ZINC000034682669 569643917 /nfs/dbraw/zinc/64/39/17/569643917.db2.gz SWQVECBIOAJYNN-UHFFFAOYSA-N 1 0 465.012 6.914 50 0 JKAARO COc1ccc(C(=O)N(c2ccc(F)cc2)C2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000034682588 569643984 /nfs/dbraw/zinc/64/39/84/569643984.db2.gz LNFBPEFHEGAJEL-UHFFFAOYSA-N 1 0 486.509 6.165 50 0 JKAARO O=C(c1ccccc1)N(c1ccccc1)C1CC[NH+](Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000034682536 569644008 /nfs/dbraw/zinc/64/40/08/569644008.db2.gz ANALZWROUJEEKW-UHFFFAOYSA-N 1 0 462.593 6.790 50 0 JKAARO COc1ccccc1C(=O)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000034682670 569644010 /nfs/dbraw/zinc/64/40/10/569644010.db2.gz DMHJWMJWOLHSCK-UHFFFAOYSA-N 1 0 486.509 6.165 50 0 JKAARO COc1ccc(C(=O)N(c2ccc(F)cc2)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000034682593 569644020 /nfs/dbraw/zinc/64/40/20/569644020.db2.gz YERBUDIAEUZNRC-UHFFFAOYSA-N 1 0 452.957 5.799 50 0 JKAARO COc1ccc(C(=O)N(c2ccc(F)cc2)C2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000034682589 569644027 /nfs/dbraw/zinc/64/40/27/569644027.db2.gz FKQJOKDLMSEQOM-UHFFFAOYSA-N 1 0 452.957 5.799 50 0 JKAARO COc1ccc(OC)c(C[NH+]2CCC(N(C(=O)c3cccc(C)c3)c3ccc(F)cc3)CC2)c1 ZINC000034682769 569644156 /nfs/dbraw/zinc/64/41/56/569644156.db2.gz ZJTKAVBFWCOGMM-UHFFFAOYSA-N 1 0 462.565 5.463 50 0 JKAARO Cc1ccc(N(C(=O)c2cccs2)C2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000034682910 569644174 /nfs/dbraw/zinc/64/41/74/569644174.db2.gz MNDCBBWUQMHSQO-UHFFFAOYSA-N 1 0 458.549 6.387 50 0 JKAARO COc1ccccc1C(=O)N(c1ccc(C)cc1)C1CC[NH+](Cc2cccc(OC)c2OC)CC1 ZINC000034682989 569644182 /nfs/dbraw/zinc/64/41/82/569644182.db2.gz WQVLZLFCDYMQDC-UHFFFAOYSA-N 1 0 474.601 5.332 50 0 JKAARO COc1cccc(C[NH+]2CCC(N(C(=O)c3cccc(C)c3)c3ccc(C)cc3)CC2)c1OC ZINC000034683010 569644192 /nfs/dbraw/zinc/64/41/92/569644192.db2.gz GWPSJBOSOOKWPD-UHFFFAOYSA-N 1 0 458.602 5.632 50 0 JKAARO COc1cccc(N(C(=O)c2cccs2)C2CC[NH+](Cc3cc(OC)ccc3OC)CC2)c1 ZINC000034683160 569644334 /nfs/dbraw/zinc/64/43/34/569644334.db2.gz WEGLSFNYCRDTQI-UHFFFAOYSA-N 1 0 466.603 5.085 50 0 JKAARO O=C(c1cccc(Cl)c1)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccccc2C(F)(F)F)CC1 ZINC000034683590 569644481 /nfs/dbraw/zinc/64/44/81/569644481.db2.gz PRFUWNCDVADOQX-UHFFFAOYSA-N 1 0 490.928 6.809 50 0 JKAARO Cc1ccc(C(=O)N(c2ccc(F)cc2)C2CC[NH+](Cc3ccccc3C(F)(F)F)CC2)cc1 ZINC000034683563 569644494 /nfs/dbraw/zinc/64/44/94/569644494.db2.gz OWPUJBKCSHJNGH-UHFFFAOYSA-N 1 0 470.510 6.464 50 0 JKAARO COc1cccc(N(C(=O)c2ccccc2)C2CC[NH+](Cc3ccccc3C(F)(F)F)CC2)c1 ZINC000034683607 569644524 /nfs/dbraw/zinc/64/45/24/569644524.db2.gz RHUQYBJPQDFPBN-UHFFFAOYSA-N 1 0 468.519 6.025 50 0 JKAARO Cc1ccc(C[NH+]2CCC(N(c3ccc(F)cc3)S(=O)(=O)c3ccccc3C)CC2)cc1C ZINC000034683929 569644779 /nfs/dbraw/zinc/64/47/79/569644779.db2.gz KLFBLWWABYKPRF-UHFFFAOYSA-N 1 0 466.622 5.611 50 0 JKAARO Cc1cccc(S(=O)(=O)N(c2ccc(F)cc2)C2CC[NH+](Cc3ccc(C)c(C)c3)CC2)c1 ZINC000034683934 569644806 /nfs/dbraw/zinc/64/48/06/569644806.db2.gz IZKAQAIKSOQKHE-UHFFFAOYSA-N 1 0 466.622 5.611 50 0 JKAARO Cc1ccccc1N1CC[NH+](Cc2ccc(C(=O)NCc3cccc(C(F)(F)F)c3)cc2)CC1 ZINC000034684144 569644903 /nfs/dbraw/zinc/64/49/03/569644903.db2.gz DVQSMJYKOFWVFQ-UHFFFAOYSA-N 1 0 467.535 5.266 50 0 JKAARO Cc1cccc(C[N@H+]2CCc3ccc(O[C@@H](C)C(=O)NCC4CC4)cc3[C@H]2c2ccccc2)c1 ZINC000034686582 569645259 /nfs/dbraw/zinc/64/52/59/569645259.db2.gz WFKVJXIUNROEBO-PZGXJGMVSA-N 1 0 454.614 5.436 50 0 JKAARO CC[C@@H](Oc1ccc2c(c1)[C@H](c1ccccc1)[N@@H+](Cc1cccc(C)c1)CC2)C(=O)NCC1CC1 ZINC000034686584 569645337 /nfs/dbraw/zinc/64/53/37/569645337.db2.gz JPKDZDYEVYZUDQ-IHLOFXLRSA-N 1 0 468.641 5.826 50 0 JKAARO CC[C@@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@@H+](Cc1cccc(C)c1)CC2)C(=O)NCC1CC1 ZINC000034686586 569645444 /nfs/dbraw/zinc/64/54/44/569645444.db2.gz JPKDZDYEVYZUDQ-LOYHVIPDSA-N 1 0 468.641 5.826 50 0 JKAARO CN(Cc1ccco1)C(=O)COc1ccc2c(c1)[C@@H](c1ccccc1)[N@@H+](Cc1ccccc1)CC2 ZINC000034686592 569645533 /nfs/dbraw/zinc/64/55/33/569645533.db2.gz MEEACHBYUVXTKM-SSEXGKCCSA-N 1 0 466.581 5.465 50 0 JKAARO COc1ccc(C(=O)N2C[C@@H](c3ccccc3)[C@H](C[NH+]3CCC(Cc4ccccc4)CC3)C2)cc1OC ZINC000034697593 569647572 /nfs/dbraw/zinc/64/75/72/569647572.db2.gz DWIDZWIKQDMMGE-WDYNHAJCSA-N 1 0 498.667 5.514 50 0 JKAARO O=C(c1cccc(C(F)(F)F)c1)N1C[C@@H](C[NH+]2CCCCC2)[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000034698010 569647688 /nfs/dbraw/zinc/64/76/88/569647688.db2.gz AQQOPJFNVBBJMU-DENIHFKCSA-N 1 0 484.484 6.066 50 0 JKAARO Cc1ccc([C@@H]2CN(C(=O)c3cccc(C(F)(F)F)c3)C[C@@H]2C[N@@H+](C)C2CCCCC2)cc1 ZINC000034697826 569647690 /nfs/dbraw/zinc/64/76/90/569647690.db2.gz WMRSJTJRQMPTAT-DHLKQENFSA-N 1 0 458.568 6.134 50 0 JKAARO Cc1ccc(C[N@@H+]2C[C@@H](CN(C(=O)c3ccc(F)cc3)C3CCCCC3)[C@H](c3ccccc3C)C2)cc1 ZINC000034698813 569647945 /nfs/dbraw/zinc/64/79/45/569647945.db2.gz TWIKVPKHKQVTAE-GMCHKSTQSA-N 1 0 498.686 7.133 50 0 JKAARO Cc1ccccc1[C@@H]1C[N@@H+](Cc2ccccc2F)C[C@@H]1CN(C(=O)c1ccc(F)cc1)C(C)C ZINC000034698744 569647984 /nfs/dbraw/zinc/64/79/84/569647984.db2.gz MJQANANUZJIAJD-SHQCIBLASA-N 1 0 462.584 6.040 50 0 JKAARO Cc1ccc(C[N@@H+]2C[C@H](CN(C(=O)c3ccc(F)cc3)C3CCCCC3)[C@@H](c3ccccc3C)C2)o1 ZINC000034698835 569647993 /nfs/dbraw/zinc/64/79/93/569647993.db2.gz YPOFKLQJXBUPHX-RNAHPLFWSA-N 1 0 488.647 6.726 50 0 JKAARO Cc1ccccc1[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2)C[C@@H]1CN(C(=O)c1ccccc1)C(C)C ZINC000034698780 569648011 /nfs/dbraw/zinc/64/80/11/569648011.db2.gz XKJBOOBHGDFFRS-LEAFIULHSA-N 1 0 461.049 6.415 50 0 JKAARO COc1ccccc1[C@@H]1C[N@H+](Cc2ccc(C)o2)C[C@H]1CN(CC(C)C)C(=O)c1ccc(F)cc1 ZINC000034698893 569648026 /nfs/dbraw/zinc/64/80/26/569648026.db2.gz QIVDMJRNBXCIBP-WNCULLNHSA-N 1 0 478.608 5.750 50 0 JKAARO Cc1ccccc1[C@@H]1C[N@@H+](Cc2ccccc2Cl)C[C@@H]1CN(C(=O)c1ccccc1)C(C)C ZINC000034698776 569648036 /nfs/dbraw/zinc/64/80/36/569648036.db2.gz JTRCTKGLALVKMT-XNMGPUDCSA-N 1 0 461.049 6.415 50 0 JKAARO Cc1ccccc1[C@@H]1C[N@H+](Cc2ccccc2F)C[C@@H]1CN(C(=O)c1ccccc1)C1CCCCC1 ZINC000034698866 569648090 /nfs/dbraw/zinc/64/80/90/569648090.db2.gz WKPVCXXRLAMWQM-POURPWNDSA-N 1 0 484.659 6.825 50 0 JKAARO CC(C)CN(C[C@@H]1C[N@H+](Cc2cccs2)C[C@@H]1c1ccc(F)cc1)C(=O)c1ccccc1 ZINC000034699032 569648231 /nfs/dbraw/zinc/64/82/31/569648231.db2.gz FHTATPWBYQUTBD-JYFHCDHNSA-N 1 0 450.623 5.901 50 0 JKAARO CC(C)CN(C[C@H]1C[N@H+](Cc2ccc(F)cc2)C[C@@H]1c1ccc(F)cc1)C(=O)c1ccccc1 ZINC000034699027 569648338 /nfs/dbraw/zinc/64/83/38/569648338.db2.gz RYFZSHRMILLWDS-LEAFIULHSA-N 1 0 462.584 5.979 50 0 JKAARO COc1cc(C[N@@H+]2C[C@H](CN(C(=O)c3ccccc3)C(C)C)[C@@H](c3ccc(C)cc3)C2)cc(OC)c1 ZINC000034699085 569648403 /nfs/dbraw/zinc/64/84/03/569648403.db2.gz LYESCTJQDROWAM-POURPWNDSA-N 1 0 486.656 5.779 50 0 JKAARO Cc1ccc([C@H]2C[N@@H+](Cc3ccccc3F)C[C@@H]2CN(Cc2cccnc2)C(=O)C(C)C)cc1 ZINC000034699295 569648454 /nfs/dbraw/zinc/64/84/54/569648454.db2.gz MLZUYSPIWJYFLW-KAYWLYCHSA-N 1 0 459.609 5.430 50 0 JKAARO CC(C)N(C[C@H]1C[N@H+](Cc2ccco2)C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000034699153 569648472 /nfs/dbraw/zinc/64/84/72/569648472.db2.gz WCWPZAXEZIZWHO-PXDATVDWSA-N 1 0 488.525 6.204 50 0 JKAARO CC(=O)N(Cc1ccc(F)cc1)C[C@H]1C[N@H+](Cc2sccc2C)C[C@H]1c1ccc(C)cc1 ZINC000034699266 569648491 /nfs/dbraw/zinc/64/84/91/569648491.db2.gz FARGFZFAMCIMCX-RSXGOPAZSA-N 1 0 450.623 5.768 50 0 JKAARO COc1ccccc1[C@H]1C[N@H+](Cc2cccs2)C[C@H]1CN(Cc1ccccc1)C(=O)C(C)C ZINC000034699226 569648500 /nfs/dbraw/zinc/64/85/00/569648500.db2.gz NXCZNMHYMPSESG-OZXSUGGESA-N 1 0 462.659 5.657 50 0 JKAARO CC(C)N(C[C@@H]1C[N@H+](Cc2cccc(F)c2)C[C@@H]1c1ccc(F)cc1)C(=O)c1ccc(F)cc1 ZINC000034699060 569648515 /nfs/dbraw/zinc/64/85/15/569648515.db2.gz BTRKLAUCLBCPNJ-WNCULLNHSA-N 1 0 466.547 5.870 50 0 JKAARO COc1ccc([C@H]2C[N@H+](Cc3cccs3)C[C@@H]2CN(Cc2ccc(F)cc2)C(C)=O)cc1 ZINC000034699345 569648539 /nfs/dbraw/zinc/64/85/39/569648539.db2.gz KHAGTXLJKXIGAT-ATIYNZHBSA-N 1 0 452.595 5.160 50 0 JKAARO COc1ccc([C@@H]2C[N@H+](Cc3ccc(C)s3)C[C@@H]2CN(Cc2ccc(F)cc2)C(C)=O)cc1 ZINC000034699362 569648600 /nfs/dbraw/zinc/64/86/00/569648600.db2.gz IPFPRJRUGNFKEG-KCWPFWIISA-N 1 0 466.622 5.469 50 0 JKAARO COc1ccc([C@@H]2C[N@H+](Cc3ccc(C)o3)C[C@H]2CN(Cc2ccc(F)cc2)C(C)=O)cc1 ZINC000034699349 569648677 /nfs/dbraw/zinc/64/86/77/569648677.db2.gz MNDZOCBWUMLPHZ-HOFKKMOUSA-N 1 0 450.554 5.000 50 0 JKAARO Cc1ccc(F)c(C[N@@H+]2CCCN(c3nc4ccccc4c4nnc(Cc5ccccc5)n43)CC2)c1 ZINC000034707940 569650091 /nfs/dbraw/zinc/65/00/91/569650091.db2.gz IQJSXWPYKGPLLJ-UHFFFAOYSA-N 1 0 480.591 5.028 50 0 JKAARO Fc1ccc(F)c(CN2CCN(c3nc4cc(Cl)ccc4c4nnc(-c5cccs5)n43)CC2)c1 ZINC000034707894 569650096 /nfs/dbraw/zinc/65/00/96/569650096.db2.gz PGBAFIUMTGBAJR-UHFFFAOYSA-N 1 0 496.974 5.260 50 0 JKAARO CCc1ccc([C@@H]2C[C@@H](C(=O)Nc3ccc(OC)cc3)C[N@H+](Cc3ccc(OC)cc3)C2)cc1 ZINC000034711372 569650814 /nfs/dbraw/zinc/65/08/14/569650814.db2.gz KKCQDROKYWADCQ-JWQCQUIFSA-N 1 0 458.602 5.511 50 0 JKAARO CCc1ccc([C@H]2C[C@H](C(=O)Nc3ccc(OC)cc3)C[N@H+](Cc3ccc(OC)cc3)C2)cc1 ZINC000034711371 569650825 /nfs/dbraw/zinc/65/08/25/569650825.db2.gz KKCQDROKYWADCQ-DQEYMECFSA-N 1 0 458.602 5.511 50 0 JKAARO Cc1cc([C@@H]2C[C@H](C(=O)N[C@@H](C)c3ccccc3)C[N@@H+](Cc3ccccc3Cl)C2)ccc1F ZINC000034716686 569651709 /nfs/dbraw/zinc/65/17/09/569651709.db2.gz RXVYFVAAOOIJSL-AMDXRBSFSA-N 1 0 465.012 6.271 50 0 JKAARO Cc1cc([C@@H]2C[C@H](C(=O)NCCc3ccccc3)C[N@H+](Cc3ccccc3Cl)C2)ccc1F ZINC000034716698 569651715 /nfs/dbraw/zinc/65/17/15/569651715.db2.gz CKLLAPHFIQUQEU-RPBOFIJWSA-N 1 0 465.012 5.752 50 0 JKAARO COc1ccc(C[N@@H+]2C[C@H](C(=O)NCc3cccc(F)c3)C[C@@H](c3ccc(F)c(C)c3)C2)cc1 ZINC000034716862 569651853 /nfs/dbraw/zinc/65/18/53/569651853.db2.gz ZSUCSJQAWSHURC-DNQXCXABSA-N 1 0 464.556 5.204 50 0 JKAARO COc1ccc(C[N@@H+]2C[C@H](C(=O)NCc3cccc(F)c3)C[C@H](c3ccc(F)c(C)c3)C2)cc1 ZINC000034716863 569651876 /nfs/dbraw/zinc/65/18/76/569651876.db2.gz ZSUCSJQAWSHURC-BJKOFHAPSA-N 1 0 464.556 5.204 50 0 JKAARO O=C(NCc1cccc(F)c1)[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+](Cc2ccc(F)cc2F)C1 ZINC000034716758 569651886 /nfs/dbraw/zinc/65/18/86/569651886.db2.gz QQDBQAHLJNTDJQ-NHCUHLMSSA-N 1 0 456.483 5.165 50 0 JKAARO COc1ccc(C[N@@H+]2C[C@@H](C(=O)NCc3cccc(F)c3)C[C@@H](c3ccc(F)c(C)c3)C2)cc1 ZINC000034716860 569651890 /nfs/dbraw/zinc/65/18/90/569651890.db2.gz ZSUCSJQAWSHURC-RPWUZVMVSA-N 1 0 464.556 5.204 50 0 JKAARO Cc1cc([C@H]2C[C@H](C(=O)NCc3ccccc3F)C[N@H+](Cc3ccccc3Cl)C2)ccc1F ZINC000034716809 569651945 /nfs/dbraw/zinc/65/19/45/569651945.db2.gz SGSWXLJKSFSKOZ-GOTSBHOMSA-N 1 0 468.975 5.849 50 0 JKAARO Cc1cc([C@H]2C[C@@H](C(=O)N(C)Cc3ccccc3)C[N@@H+](Cc3ccccc3Cl)C2)ccc1F ZINC000034716827 569651951 /nfs/dbraw/zinc/65/19/51/569651951.db2.gz UYJWXNNRHYKFDR-LOSJGSFVSA-N 1 0 465.012 6.052 50 0 JKAARO Cc1cccc(CNC(=O)[C@H]2C[C@H](c3ccc(F)c(C)c3)C[N@H+](Cc3ccccc3Cl)C2)c1 ZINC000034716805 569651961 /nfs/dbraw/zinc/65/19/61/569651961.db2.gz RGVNQYIRXFLSKD-DQEYMECFSA-N 1 0 465.012 6.018 50 0 JKAARO O=C(NCc1cccc(F)c1)[C@H]1C[C@H](c2ccc(F)cc2)C[N@@H+](Cc2ccc(F)cc2F)C1 ZINC000034716757 569651972 /nfs/dbraw/zinc/65/19/72/569651972.db2.gz QQDBQAHLJNTDJQ-SFTDATJTSA-N 1 0 456.483 5.165 50 0 JKAARO Cc1ccc(C(=O)N2CC[C@H]3CCCC[C@@H]3C2)c(C2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)n1 ZINC000034726124 569652782 /nfs/dbraw/zinc/65/27/82/569652782.db2.gz ULQRWVGYHWJEHD-IXCJQBJRSA-N 1 0 473.705 6.545 50 0 JKAARO Cc1ccc(C(=O)N2CC[C@@H]3CCCC[C@@H]3C2)c(C2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)n1 ZINC000034726120 569652804 /nfs/dbraw/zinc/65/28/04/569652804.db2.gz ULQRWVGYHWJEHD-XTEPFMGCSA-N 1 0 473.705 6.545 50 0 JKAARO COc1ccccc1CNC(=O)c1ccc(C)nc1C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000034726015 569652809 /nfs/dbraw/zinc/65/28/09/569652809.db2.gz SLLFZCCXQXLDJZ-UHFFFAOYSA-N 1 0 464.009 5.362 50 0 JKAARO COc1ccccc1N1CC[NH+](CC[C@@H](Oc2cc(C)ccc2Cl)c2ccccc2)CC1 ZINC000034727105 569652934 /nfs/dbraw/zinc/65/29/34/569652934.db2.gz CFRRQBGDTWEQGY-RUZDIDTESA-N 1 0 451.010 5.989 50 0 JKAARO Cc1ccc(Cl)c(O[C@H](CC[NH+]2CCN(c3ccc(F)cc3)CC2)c2ccccc2F)c1 ZINC000034727352 569652938 /nfs/dbraw/zinc/65/29/38/569652938.db2.gz UBCFWADUGAPVMB-RUZDIDTESA-N 1 0 456.964 6.259 50 0 JKAARO Fc1ccc(N2CC[NH+](CC[C@@H](Oc3ccc(F)c(Cl)c3)c3ccccc3F)CC2)cc1 ZINC000034727329 569652960 /nfs/dbraw/zinc/65/29/60/569652960.db2.gz AEFMXMDAGDUKRK-RUZDIDTESA-N 1 0 460.927 6.090 50 0 JKAARO COc1ccccc1N1CC[NH+](CC[C@H](Oc2cc(C)cc(C(C)C)c2)c2ccc(F)cc2)CC1 ZINC000034727264 569652982 /nfs/dbraw/zinc/65/29/82/569652982.db2.gz HZCKIWARMCYCAY-LJAQVGFWSA-N 1 0 476.636 6.599 50 0 JKAARO COc1ccccc1[C@H](CCN1CC[NH+](Cc2ccccc2)CC1)Oc1cc(C)ccc1Cl ZINC000034727648 569652998 /nfs/dbraw/zinc/65/29/98/569652998.db2.gz QGGPEKBIMUGESB-MHZLTWQESA-N 1 0 465.037 5.985 50 0 JKAARO Cc1ccccc1N1CC[NH+](CC[C@H](Oc2ccc(F)c(Cl)c2)c2ccc(F)cc2)CC1 ZINC000034726639 569653003 /nfs/dbraw/zinc/65/30/03/569653003.db2.gz AUXCGMXLYBJHDE-SANMLTNESA-N 1 0 456.964 6.259 50 0 JKAARO Cc1ccccc1N1CC[NH+](CC[C@@H](Oc2ccc(F)c(Cl)c2)c2ccc(F)cc2)CC1 ZINC000034726642 569653008 /nfs/dbraw/zinc/65/30/08/569653008.db2.gz AUXCGMXLYBJHDE-AREMUKBSSA-N 1 0 456.964 6.259 50 0 JKAARO COc1ccccc1N1CC[NH+](CC[C@H](Oc2cc(C)ccc2Cl)c2ccccc2)CC1 ZINC000034727102 569653076 /nfs/dbraw/zinc/65/30/76/569653076.db2.gz CFRRQBGDTWEQGY-VWLOTQADSA-N 1 0 451.010 5.989 50 0 JKAARO COc1ccccc1N1CC[NH+](CC[C@@H](Oc2cccc(C(C)C)c2)c2cccs2)CC1 ZINC000034726845 569653097 /nfs/dbraw/zinc/65/30/97/569653097.db2.gz NQUGOLPQDKZBMF-AREMUKBSSA-N 1 0 450.648 6.213 50 0 JKAARO COc1ccc(O[C@H](CCN2CC[NH+](Cc3ccccc3)CC2)c2ccc(Cl)cc2)cc1 ZINC000034727937 569653149 /nfs/dbraw/zinc/65/31/49/569653149.db2.gz BYYYHAVNPUZDMS-HHHXNRCGSA-N 1 0 451.010 5.677 50 0 JKAARO COc1ccc(O[C@@H](CCN2CC[NH+](Cc3ccccc3)CC2)c2cccc(Cl)c2)cc1 ZINC000034728559 569653226 /nfs/dbraw/zinc/65/32/26/569653226.db2.gz GYKQLXVWLRORFW-MHZLTWQESA-N 1 0 451.010 5.677 50 0 JKAARO COc1ccccc1N1CC[NH+](CC[C@@H](Oc2ccc(F)c(Cl)c2)c2ccccc2F)CC1 ZINC000034728132 569653262 /nfs/dbraw/zinc/65/32/62/569653262.db2.gz BVLLIJLJBBDJQW-RUZDIDTESA-N 1 0 472.963 5.959 50 0 JKAARO COc1cccc(C[NH+]2CCC(c3nc(C)ccc3C(=O)N3CCC[C@@H]4CCCC[C@H]43)CC2)c1 ZINC000034730126 569653321 /nfs/dbraw/zinc/65/33/21/569653321.db2.gz KTWLBULCGYHXRM-WNCULLNHSA-N 1 0 461.650 5.573 50 0 JKAARO COc1cccc(C[NH+]2CCC(c3nc(C)ccc3C(=O)N3CCC[C@H]4CCCC[C@@H]43)CC2)c1 ZINC000034730116 569653343 /nfs/dbraw/zinc/65/33/43/569653343.db2.gz KTWLBULCGYHXRM-KCWPFWIISA-N 1 0 461.650 5.573 50 0 JKAARO Cc1ccc(C(=O)NCc2ccc(F)cc2)c(C2CC[NH+](Cc3ccccc3Cl)CC2)n1 ZINC000034729917 569653377 /nfs/dbraw/zinc/65/33/77/569653377.db2.gz VIWVRTIIVDOROJ-UHFFFAOYSA-N 1 0 451.973 5.492 50 0 JKAARO COc1ccccc1CCNC(=O)[C@@H]1C[C@H](c2cccc(C)c2)C[N@H+](Cc2cccc(F)c2)C1 ZINC000034733682 569653487 /nfs/dbraw/zinc/65/34/87/569653487.db2.gz FLOBESPAVDAICB-IZZNHLLZSA-N 1 0 460.593 5.107 50 0 JKAARO COc1ccc(NC(=O)[C@@H]2C[C@H](c3cccc(C)c3)C[N@H+](Cc3cccc(F)c3)C2)cc1OC ZINC000034733631 569653520 /nfs/dbraw/zinc/65/35/20/569653520.db2.gz HLFNKZCTLMYOAD-XZOQPEGZSA-N 1 0 462.565 5.396 50 0 JKAARO C[C@@H]1CCC[N@H+](CCCNC(=O)c2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CCCC3)o2)C1 ZINC000065054988 569653881 /nfs/dbraw/zinc/65/38/81/569653881.db2.gz NZCDOQBYJUQWIM-HXUWFJFHSA-N 1 0 478.612 5.916 50 0 JKAARO C[N@H+](CCCNC(=O)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCC2)o1)C1CCCCC1 ZINC000065054990 569653894 /nfs/dbraw/zinc/65/38/94/569653894.db2.gz AEOFWLHASOTMSD-UHFFFAOYSA-N 1 0 492.639 6.449 50 0 JKAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCCC2)o1 ZINC000065055116 569653943 /nfs/dbraw/zinc/65/39/43/569653943.db2.gz GGPMNJUNZOCWKN-OAQYLSRUSA-N 1 0 492.639 6.449 50 0 JKAARO O=C(NCCC[NH+]1CCCCCC1)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCCC2)o1 ZINC000065055114 569653995 /nfs/dbraw/zinc/65/39/95/569653995.db2.gz IVLMZTKFGVLPAX-UHFFFAOYSA-N 1 0 492.639 6.450 50 0 JKAARO CCCCOc1ccc(CNC(=O)C2CC[NH+](Cc3cn(CC)c4ccc(OC)cc34)CC2)cc1 ZINC000065060023 569655186 /nfs/dbraw/zinc/65/51/86/569655186.db2.gz BKJWNLIIXYDICY-UHFFFAOYSA-N 1 0 477.649 5.377 50 0 JKAARO COc1ccccc1N1CC[NH+](CC[C@H](Oc2ccc(C(C)C)c(C)c2)c2ccccc2)CC1 ZINC000034740074 569655185 /nfs/dbraw/zinc/65/51/85/569655185.db2.gz ACPPJKMPSXURHC-LJAQVGFWSA-N 1 0 458.646 6.459 50 0 JKAARO COc1ccccc1N1CC[NH+](CC[C@H](Oc2ccc(C(C)C)c(C)c2)c2ccccc2F)CC1 ZINC000034740102 569655383 /nfs/dbraw/zinc/65/53/83/569655383.db2.gz BPCYSYQIFMJSQA-LJAQVGFWSA-N 1 0 476.636 6.599 50 0 JKAARO COc1cc(C[N@@H+]2C[C@H](CN(C(=O)C(C)C)C(C)C)[C@@H](c3ccc(C)cc3)C2)cc(OC)c1 ZINC000034740725 569655499 /nfs/dbraw/zinc/65/54/99/569655499.db2.gz ZIYWPDNBALTJNA-SHQCIBLASA-N 1 0 452.639 5.121 50 0 JKAARO Cc1ccc([C@H]2C[N@@H+](Cc3ccccc3F)C[C@@H]2CN(C(=O)C(C)C)C2CCCCC2)cc1 ZINC000034740758 569655571 /nfs/dbraw/zinc/65/55/71/569655571.db2.gz AVONKSZNEYGOKI-XNMGPUDCSA-N 1 0 450.642 6.167 50 0 JKAARO Cc1ccc(C[NH+]2CCC(CNC(=O)c3ccc(-c4noc(-c5ccc(C)cc5)n4)s3)CC2)cc1 ZINC000065062964 569656319 /nfs/dbraw/zinc/65/63/19/569656319.db2.gz QAGGMWTZUZSPAI-UHFFFAOYSA-N 1 0 486.641 5.724 50 0 JKAARO CC(C)[N@H+](CCCNC(=O)c1ccc(-c2noc(-c3ccccc3)n2)s1)C1CCCCC1 ZINC000065063051 569656384 /nfs/dbraw/zinc/65/63/84/569656384.db2.gz ZGAKSDAQYSTIEI-UHFFFAOYSA-N 1 0 452.624 5.628 50 0 JKAARO CCCCCCC(=O)N(CCC)Cc1c(C)nn(-c2ccccc2)c1N1CC[NH+](CC)CC1 ZINC000034814874 569662842 /nfs/dbraw/zinc/66/28/42/569662842.db2.gz YCALWHILZNMDNG-UHFFFAOYSA-N 1 0 453.675 5.032 50 0 JKAARO CCCC[C@H](CC)C(=O)N1CCN(C(=O)CC[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2)C[C@H]1C ZINC000034830109 569663714 /nfs/dbraw/zinc/66/37/14/569663714.db2.gz UCTSYTFDLKIFMS-IWHLBADBSA-N 1 0 495.733 5.361 50 0 JKAARO CCCCCCC(=O)N1CCN(C(=O)CC[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2C)C[C@H]1C ZINC000034830283 569663785 /nfs/dbraw/zinc/66/37/85/569663785.db2.gz UIQNIYLUCHZNAC-BTYSJIOQSA-N 1 0 495.733 5.424 50 0 JKAARO CCCC[C@@H](CC)C(=O)N1CCN(C(=O)CC[N@@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CC1 ZINC000034830476 569663967 /nfs/dbraw/zinc/66/39/67/569663967.db2.gz YFBGMVCZRADOID-ZBLYBZFDSA-N 1 0 499.696 5.112 50 0 JKAARO CCCN(Cc1c(C)nn(-c2ccccc2)c1N1CC[NH+](C)CC1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000034831222 569664128 /nfs/dbraw/zinc/66/41/28/569664128.db2.gz AOQACPFWHKQPEX-UHFFFAOYSA-N 1 0 499.581 5.004 50 0 JKAARO CC[NH+]1CCN(c2c(CN(C(=O)CCC3CCCC3)C(C)C)c(C)nn2-c2ccccc2)CC1 ZINC000034831232 569664182 /nfs/dbraw/zinc/66/41/82/569664182.db2.gz XAWYQIGHCOLHFP-UHFFFAOYSA-N 1 0 465.686 5.030 50 0 JKAARO CC[NH+]1CCN(c2c(CN(CCC(C)C)C(=O)CC(C)(C)C)c(C)nn2-c2ccccc2)CC1 ZINC000034832157 569664395 /nfs/dbraw/zinc/66/43/95/569664395.db2.gz TUFRKWZWUNJGSM-UHFFFAOYSA-N 1 0 467.702 5.134 50 0 JKAARO CC[C@@H](C)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](CC)CC1)C(=O)CC(C)(C)C ZINC000034832096 569664479 /nfs/dbraw/zinc/66/44/79/569664479.db2.gz YZDALGGOVUIRPM-HXUWFJFHSA-N 1 0 471.665 5.025 50 0 JKAARO CCCN(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](CC)CC1)C(=O)CCC1CCCC1 ZINC000034835501 569665037 /nfs/dbraw/zinc/66/50/37/569665037.db2.gz NTFRMBMQCLJNFB-UHFFFAOYSA-N 1 0 483.676 5.171 50 0 JKAARO CC[NH+]1CCN(c2c(CN(Cc3ccccc3F)C(C)C)c(C)nn2-c2cccc(F)c2)CC1 ZINC000034835950 569665138 /nfs/dbraw/zinc/66/51/38/569665138.db2.gz VCQFQMTXFSAESY-UHFFFAOYSA-N 1 0 467.608 5.011 50 0 JKAARO CCCC[C@H](CC)C(=O)N(CCC)Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](CC)CC1 ZINC000034835521 569665142 /nfs/dbraw/zinc/66/51/42/569665142.db2.gz XFCLUTBFCJPEIW-QHCPKHFHSA-N 1 0 485.692 5.417 50 0 JKAARO CCCCCCC(=O)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](C(C)C)CC1)C(C)C ZINC000034835741 569665148 /nfs/dbraw/zinc/66/51/48/569665148.db2.gz SBOIHZMCXLUCPJ-UHFFFAOYSA-N 1 0 485.692 5.558 50 0 JKAARO CCc1nn(-c2cccc(C)c2)c(N2CC[NH+](C)CC2)c1CN(Cc1ccccc1Cl)C(C)C ZINC000034836611 569665495 /nfs/dbraw/zinc/66/54/95/569665495.db2.gz UCTQBLAZCPYUHB-UHFFFAOYSA-N 1 0 480.100 5.559 50 0 JKAARO CCCc1nn(-c2cccc(F)c2)c(N2CC[NH+](CC)CC2)c1CN(CCC)Cc1ccccc1F ZINC000034836578 569665501 /nfs/dbraw/zinc/66/55/01/569665501.db2.gz HXNODASQHOELFH-UHFFFAOYSA-N 1 0 495.662 5.657 50 0 JKAARO CCc1nn(-c2cccc(C)c2)c(N2CCN(C)CC2)c1C[N@H+](Cc1ccccc1C)C(C)C ZINC000034836647 569665983 /nfs/dbraw/zinc/66/59/83/569665983.db2.gz MWRPHKYSXVISPE-UHFFFAOYSA-N 1 0 459.682 5.214 50 0 JKAARO CCc1nn(-c2cccc(C)c2)c(N2CCN(C)CC2)c1C[N@H+](CC)C[C@H](C)c1ccccc1 ZINC000034836750 569666045 /nfs/dbraw/zinc/66/60/45/569666045.db2.gz MDTYBSAAIQUVHH-DEOSSOPVSA-N 1 0 459.682 5.121 50 0 JKAARO CCc1nn(-c2ccccc2)c(N2CC[NH+](CC)CC2)c1CN(Cc1ccccc1Cl)C1CC1 ZINC000034836947 569666278 /nfs/dbraw/zinc/66/62/78/569666278.db2.gz FCLFJRPCCBPYKR-UHFFFAOYSA-N 1 0 478.084 5.395 50 0 JKAARO CCc1nn(-c2ccccc2)c(N2CC[NH+](CC)CC2)c1CN(Cc1ccc(C)cc1C)C1CC1 ZINC000034836972 569666505 /nfs/dbraw/zinc/66/65/05/569666505.db2.gz KDOLBFGTZXHPQW-UHFFFAOYSA-N 1 0 471.693 5.358 50 0 JKAARO Cc1ccc(/C=C2\C[N@@H+](C)CC3=C2N=C2SC=C(c4ccccc4)N2[C@@H]3c2ccc(C)cc2)cc1 ZINC000034847930 569667102 /nfs/dbraw/zinc/66/71/02/569667102.db2.gz BZAHCLJEYYVCBQ-DSZCBWBRSA-N 1 0 475.661 7.045 50 0 JKAARO CCCCN1C(=O)c2ccccc2[C@@H](C(=O)NCC[NH+]2CCCCC2)[C@@H]1c1cccc(Cl)c1 ZINC000034927645 569673139 /nfs/dbraw/zinc/67/31/39/569673139.db2.gz RPQDQYUWIBSGQJ-RPBOFIJWSA-N 1 0 468.041 5.023 50 0 JKAARO CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1cccc(C)c1C)C(c1ccc(Cl)cc1)=N2 ZINC000035372573 569683132 /nfs/dbraw/zinc/68/31/32/569683132.db2.gz YGZMIJJUJINISM-UHFFFAOYSA-N 1 0 469.054 5.342 50 0 JKAARO CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1cccc(Cl)c1C)C(c1ccccc1)=N2 ZINC000035372834 569683285 /nfs/dbraw/zinc/68/32/85/569683285.db2.gz OISRDOHZZUYBQO-UHFFFAOYSA-N 1 0 455.027 5.034 50 0 JKAARO CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccc(F)c(F)c1)C(c1ccc(C(C)(C)C)cc1)=N2 ZINC000035397170 569687686 /nfs/dbraw/zinc/68/76/86/569687686.db2.gz AOOSZLBCPZRPOV-UHFFFAOYSA-N 1 0 498.643 5.647 50 0 JKAARO CCc1ccc(NC(=O)CSC2=NC3(CC[NH+](C)CC3)N=C2c2ccc(C(C)(C)C)cc2)cc1 ZINC000035397145 569687752 /nfs/dbraw/zinc/68/77/52/569687752.db2.gz XHKCZKKVPAIKON-UHFFFAOYSA-N 1 0 476.690 5.542 50 0 JKAARO C[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1cccc(F)c1)C(c1ccc(C(C)(C)C)cc1)=N2 ZINC000035397151 569687819 /nfs/dbraw/zinc/68/78/19/569687819.db2.gz UZGZQYRYEDCRDA-UHFFFAOYSA-N 1 0 466.626 5.118 50 0 JKAARO CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccc(C)c(C)c1)C(c1ccc(C(C)(C)C)cc1)=N2 ZINC000035397163 569687826 /nfs/dbraw/zinc/68/78/26/569687826.db2.gz KXQNUYUYIFNORU-UHFFFAOYSA-N 1 0 490.717 5.986 50 0 JKAARO CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1cccc(C)c1)C(c1ccc(Br)cc1)=N2 ZINC000035397202 569687923 /nfs/dbraw/zinc/68/79/23/569687923.db2.gz AFDOLXRXZCDDCP-UHFFFAOYSA-N 1 0 499.478 5.143 50 0 JKAARO CC[N@@H+]1CCc2c(sc3c2CN(C(=O)NCc2ccccc2)[C@@H](c2ccc(C)cc2)c2cccn2-3)C1 ZINC000035427400 569694167 /nfs/dbraw/zinc/69/41/67/569694167.db2.gz TUNZHUPBYOLNQX-NDEPHWFRSA-N 1 0 496.680 6.040 50 0 JKAARO CC[N@@H+]1CCc2c(sc3c2CN(C(=O)Nc2ccc(C)cc2)[C@H](c2ccc(C)cc2)c2cccn2-3)C1 ZINC000035427394 569694270 /nfs/dbraw/zinc/69/42/70/569694270.db2.gz LLQUPOOJPNKLLE-MUUNZHRXSA-N 1 0 496.680 6.671 50 0 JKAARO CC[N@@H+]1CCc2c(sc3c2CN(C(=O)Nc2cccc(F)c2)[C@@H](c2ccccc2)c2cccn2-3)C1 ZINC000035427450 569694417 /nfs/dbraw/zinc/69/44/17/569694417.db2.gz SGHROLYPANIDSO-SANMLTNESA-N 1 0 486.616 6.193 50 0 JKAARO CC[N@@H+]1CCc2c(sc3c2CN(C(=O)NCCC(C)C)[C@@H](c2ccccc2)c2cccn2-3)C1 ZINC000035427445 569694452 /nfs/dbraw/zinc/69/44/52/569694452.db2.gz XJIYUENXQJYOBD-VWLOTQADSA-N 1 0 462.663 5.578 50 0 JKAARO CC[NH+](CC)CCOc1ccc(NC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1 ZINC000069979647 569694493 /nfs/dbraw/zinc/69/44/93/569694493.db2.gz IWGAFOJGXLOTBT-UHFFFAOYSA-N 1 0 498.977 5.330 50 0 JKAARO c1ccc([PH+](C23CC4CC(CC(C4)C2)C3)C23CC4CC(CC(C4)C2)C3)c(N2CCOCC2)c1 ZINC000071773616 569698141 /nfs/dbraw/zinc/69/81/41/569698141.db2.gz CCBRRSUORFMQCZ-UHFFFAOYSA-N 1 0 463.646 6.568 50 0 JKAARO CC(C)(C)c1ccc([C@@H](Cn2cnc3c4c(sc3c2=O)SCC(=O)N4)[NH+]2CCCCC2)cc1 ZINC000035671566 569706262 /nfs/dbraw/zinc/70/62/62/569706262.db2.gz KZJYYBDNJFZZAB-GOSISDBHSA-N 1 0 482.675 5.027 50 0 JKAARO Cc1c2occ(-c3ccccc3)c2cc2c(C)c(CC(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)c(=O)oc12 ZINC000079191588 569707185 /nfs/dbraw/zinc/70/71/85/569707185.db2.gz WPEHEVJHESFRGZ-WXVAWEFUSA-N 1 0 498.623 5.746 50 0 biogenic JKAARO CC[NH+](CC)CCNC(=O)c1cc(NC(=O)Nc2ccc(Cl)c(Cl)c2)ccc1N1CCCC1 ZINC000035709890 569707708 /nfs/dbraw/zinc/70/77/08/569707708.db2.gz URODEGRWHQOHGY-UHFFFAOYSA-N 1 0 492.451 5.309 50 0 JKAARO O=C(C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)N[C@H]1CC[N@@H+](C2CCCCCC2)C1 ZINC000084522276 569709292 /nfs/dbraw/zinc/70/92/92/569709292.db2.gz LPWICKFBHBOLNF-SQJMNOBHSA-N 1 0 468.041 5.115 50 0 JKAARO O=C1C[C@H](C[NH+]2CCC(c3c[nH]c4ccccc43)(c3c[nH]c4ccccc43)CC2)CN1c1ccccc1 ZINC000085392831 569709938 /nfs/dbraw/zinc/70/99/38/569709938.db2.gz GQGHPTVETBJLKP-HSZRJFAPSA-N 1 0 488.635 6.084 50 0 JKAARO COc1ccc(OC[C@H](O)C[N@H+](Cc2cccn2Cc2ccccc2C)C2CCCCC2)cc1 ZINC000035840758 569713758 /nfs/dbraw/zinc/71/37/58/569713758.db2.gz PEMUJRCBOGFPBW-HHHXNRCGSA-N 1 0 462.634 5.428 50 0 JKAARO O[C@@H](COCc1ccccc1)C[N@H+](Cc1cccn1Cc1cccc(F)c1)C1CCCCC1 ZINC000035840799 569713804 /nfs/dbraw/zinc/71/38/04/569713804.db2.gz MSOVFXNSZPMRHS-MUUNZHRXSA-N 1 0 450.598 5.388 50 0 JKAARO Cc1ccccc1OC[C@@H](O)C[N@@H+](Cc1cccn1Cc1ccc(F)cc1)CC1CCCCC1 ZINC000035840584 569713821 /nfs/dbraw/zinc/71/38/21/569713821.db2.gz MLIJDYAYLKGRJX-NDEPHWFRSA-N 1 0 464.625 5.806 50 0 JKAARO Cc1ccccc1OC[C@@H](O)C[N@H+](Cc1cccn1Cc1cccc(F)c1)C1CCCCC1 ZINC000035840808 569713934 /nfs/dbraw/zinc/71/39/34/569713934.db2.gz OFCWEYKWPMABAI-MHZLTWQESA-N 1 0 450.598 5.559 50 0 JKAARO Cc1ccccc1OC[C@@H](O)C[N@H+](Cc1cccn1Cc1cccc(C(F)(F)F)c1)CC(C)C ZINC000035840879 569713940 /nfs/dbraw/zinc/71/39/40/569713940.db2.gz JMTYEKBMRYKCGH-VWLOTQADSA-N 1 0 474.567 5.762 50 0 JKAARO Cc1ccccc1C[N@@H+](Cc1cccn1Cc1cccc(C(F)(F)F)c1)CC1CCCCC1 ZINC000035841227 569713964 /nfs/dbraw/zinc/71/39/64/569713964.db2.gz FORILEVUNOYKBR-UHFFFAOYSA-N 1 0 454.580 7.446 50 0 JKAARO CCCC[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)CC ZINC000035842630 569714172 /nfs/dbraw/zinc/71/41/72/569714172.db2.gz BMFMQWJVDVDFOY-MHZLTWQESA-N 1 0 491.720 5.910 50 0 JKAARO CC(C)[N@H+](CC(=O)N1CCS[C@H]1c1ccc(F)cc1)Cc1ccc(Br)cc1 ZINC000035843614 569714605 /nfs/dbraw/zinc/71/46/05/569714605.db2.gz GZURJDRUYWLODB-NRFANRHFSA-N 1 0 451.405 5.073 50 0 JKAARO CC(C)[C@@H](C)[N@H+](Cc1cccn1Cc1ccc(C(F)(F)F)cc1)Cc1ccc(F)c(F)c1 ZINC000035844689 569715151 /nfs/dbraw/zinc/71/51/51/569715151.db2.gz PXOKFDOQQCPBOB-GOSISDBHSA-N 1 0 450.495 6.880 50 0 JKAARO COC(=O)c1cccc(C[N@H+](Cc2cccn2Cc2ccc(C(F)(F)F)cc2)[C@H](C)C(C)C)c1 ZINC000035844699 569715236 /nfs/dbraw/zinc/71/52/36/569715236.db2.gz CPONKIKWFCMBNB-HXUWFJFHSA-N 1 0 472.551 6.389 50 0 JKAARO CC(C)[C@H](C)[N@H+](Cc1cccn1Cc1ccc(C(F)(F)F)cc1)Cc1ccc(F)c(F)c1 ZINC000035844690 569715266 /nfs/dbraw/zinc/71/52/66/569715266.db2.gz PXOKFDOQQCPBOB-SFHVURJKSA-N 1 0 450.495 6.880 50 0 JKAARO CCCCC[N@H+](CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1ccc(C(C)(C)C)cc1 ZINC000035844994 569715811 /nfs/dbraw/zinc/71/58/11/569715811.db2.gz OUQQAVSMTAIBRS-UHFFFAOYSA-N 1 0 488.716 7.149 50 0 JKAARO COc1cc2ccccc2cc1C(=O)Nc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000085879240 569716232 /nfs/dbraw/zinc/71/62/32/569716232.db2.gz UUBUGWBCOVAQKJ-JYFHCDHNSA-N 1 0 471.601 5.095 50 0 biogenic JKAARO CCn1cc([C@H](CC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c2ccc(F)cc2)c2ccccc21 ZINC000035872162 569719225 /nfs/dbraw/zinc/71/92/25/569719225.db2.gz XKJRDVZUTRLPSD-MUUNZHRXSA-N 1 0 483.631 6.103 50 0 JKAARO CCn1cc([C@@H](CC(=O)NCC[NH+]2CCCC2)c2cccc(Oc3ccccc3)c2)c2ccccc21 ZINC000035872197 569719236 /nfs/dbraw/zinc/71/92/36/569719236.db2.gz XPKLZMJZVGCHQD-NDEPHWFRSA-N 1 0 481.640 6.188 50 0 JKAARO Cc1c(N)c2c([nH+]c1-c1ccccc1)n(Cc1ccccc1)c(-c1ccccc1)c2-c1ccccc1 ZINC000035883760 569720032 /nfs/dbraw/zinc/72/00/32/569720032.db2.gz FAFMOUWJKHEXQN-UHFFFAOYSA-N 1 0 465.600 7.976 50 0 JKAARO O=C(NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1)c1cccn(Cc2ccccc2)c1=O ZINC000089841070 569720039 /nfs/dbraw/zinc/72/00/39/569720039.db2.gz NVWRJQZXGJAYRS-UHFFFAOYSA-N 1 0 477.608 5.089 50 0 JKAARO CCc1cccc2c([C@H](CC(=O)NCCC[N@@H+]3CCCC[C@@H]3C)c3ccc(OC)c(OC)c3)c[nH]c21 ZINC000035888834 569721363 /nfs/dbraw/zinc/72/13/63/569721363.db2.gz GCVLDSBKQNGWON-SQJMNOBHSA-N 1 0 491.676 5.650 50 0 JKAARO CCc1cccc2c([C@@H](CC(=O)NCCC[N@@H+]3CCCC[C@@H]3C)c3ccc(OC)c(OC)c3)c[nH]c21 ZINC000035888832 569721375 /nfs/dbraw/zinc/72/13/75/569721375.db2.gz GCVLDSBKQNGWON-OFVILXPXSA-N 1 0 491.676 5.650 50 0 JKAARO Cn1cc([C@@H](CC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c2ccc(Cl)cc2)c2ccccc21 ZINC000035891362 569721987 /nfs/dbraw/zinc/72/19/87/569721987.db2.gz JMHFOHNPFVLQAQ-MHZLTWQESA-N 1 0 486.059 6.135 50 0 JKAARO CC[C@H](C)c1nc2sc3c(c2c(N2CCN(CC[NH+]4CCCCC4)CC2)n1)CCCCC3 ZINC000035892991 569722670 /nfs/dbraw/zinc/72/26/70/569722670.db2.gz WIHWVBDPRFPEOB-FQEVSTJZSA-N 1 0 455.716 5.082 50 0 JKAARO O=C(COc1ccc(C2SCCCS2)cc1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000095394973 569723133 /nfs/dbraw/zinc/72/31/33/569723133.db2.gz IFGQLKCVZHJEBV-UHFFFAOYSA-N 1 0 477.095 5.368 50 0 JKAARO O=C(NC1CCCCC1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000035907816 569723502 /nfs/dbraw/zinc/72/35/02/569723502.db2.gz BCYNWSGEAWBBGC-ZCYQVOJMSA-N 1 0 471.567 5.017 50 0 JKAARO O=C(NCCc1cccs1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](C3CCCCC3)C[C@H]12 ZINC000035907994 569723576 /nfs/dbraw/zinc/72/35/76/569723576.db2.gz NKILUCCJUQDYIG-ISKFKSNPSA-N 1 0 491.623 5.121 50 0 JKAARO O=C(C[C@@H](Cn1cccc1)c1ccc(Cl)cc1)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000095473323 569723701 /nfs/dbraw/zinc/72/37/01/569723701.db2.gz KYVUZSJSHFBFAJ-QFIPXVFZSA-N 1 0 453.989 5.235 50 0 JKAARO CCc1cccc2c([C@@H](CC(=O)N(CC[NH+](C)C)Cc3ccccc3)c3ccccc3Cl)c[nH]c21 ZINC000035908333 569723995 /nfs/dbraw/zinc/72/39/95/569723995.db2.gz UUFNGXUYGPXMCM-SANMLTNESA-N 1 0 488.075 6.496 50 0 JKAARO Cc1ccc([C@@H](CC(=O)N(CC[NH+](C)C)Cc2ccccc2)c2c[nH]c3ccccc32)c(C)c1 ZINC000035908409 569724136 /nfs/dbraw/zinc/72/41/36/569724136.db2.gz HBKONXJGXSGSNF-HHHXNRCGSA-N 1 0 453.630 5.897 50 0 JKAARO Cc1ccc([C@H](CC(=O)N(CC[NH+](C)C)Cc2ccccc2)c2c[nH]c3ccccc32)c(C)c1 ZINC000035908410 569724160 /nfs/dbraw/zinc/72/41/60/569724160.db2.gz HBKONXJGXSGSNF-MHZLTWQESA-N 1 0 453.630 5.897 50 0 JKAARO COc1cccc([C@H](CC(=O)NCCC[N@@H+]2CCCC[C@@H]2C)c2c[nH]c3ccccc32)c1OC ZINC000035910717 569725945 /nfs/dbraw/zinc/72/59/45/569725945.db2.gz JAMXHXVUHRCKPC-REWPJTCUSA-N 1 0 463.622 5.088 50 0 JKAARO Cc1ncc(C[N@@H+]2CCc3ccccc3C2)c2cc(-c3cc(=O)oc4cc5c(cc43)OCO5)oc21 ZINC000095549594 569727444 /nfs/dbraw/zinc/72/74/44/569727444.db2.gz ZNPDAVPDVCPBNF-UHFFFAOYSA-N 1 0 466.493 5.197 50 0 biogenic JKAARO CCOc1cccc2c1cc(C(=O)N[C@H](C)CCC[NH+](CC)CC)n2Cc1cccc(F)c1 ZINC000035924516 569728065 /nfs/dbraw/zinc/72/80/65/569728065.db2.gz HRONVAQBAFMQJW-HXUWFJFHSA-N 1 0 453.602 5.468 50 0 JKAARO CCOc1cccc2c1cc(C(=O)N[C@@H](C)CCC[NH+](CC)CC)n2Cc1cccc(F)c1 ZINC000035924517 569728072 /nfs/dbraw/zinc/72/80/72/569728072.db2.gz HRONVAQBAFMQJW-FQEVSTJZSA-N 1 0 453.602 5.468 50 0 JKAARO Cc1nn(-c2ccccc2)c2nc(CC(C)C)nc(N3CCC[N@H+](Cc4ccc(F)cc4)CC3)c12 ZINC000035924670 569728167 /nfs/dbraw/zinc/72/81/67/569728167.db2.gz LBHPORRJVJQLAK-UHFFFAOYSA-N 1 0 472.612 5.174 50 0 JKAARO CCCCc1nc2c(c(C)nn2-c2ccccc2)c(N2CCC[N@H+](Cc3cccc(C)c3)CC2)n1 ZINC000035924698 569728212 /nfs/dbraw/zinc/72/82/12/569728212.db2.gz APHLNMBOYBMAHW-UHFFFAOYSA-N 1 0 468.649 5.487 50 0 JKAARO c1ccc(C2(c3ccccc3)O[P@H+](N3c4ccccc4C=Cc4ccccc43)N3CCC[C@H]32)cc1 ZINC000095641918 569728341 /nfs/dbraw/zinc/72/83/41/569728341.db2.gz YJODLCFYUSLBIR-KIYCQYGCSA-N 1 0 474.544 7.974 50 0 JKAARO c1nn(-c2ccccc2)c2nc(Cc3ccccc3)nc(N3CCC[N@@H+](Cc4ccccc4)CC3)c12 ZINC000035925670 569728952 /nfs/dbraw/zinc/72/89/52/569728952.db2.gz FGDURVHYQOHQAX-UHFFFAOYSA-N 1 0 474.612 5.119 50 0 JKAARO CC[NH+](CC)CCOc1ccc(/C(=C(/C)c2ccccc2)c2cccc(C(F)(F)F)c2)cc1 ZINC000095918065 569729401 /nfs/dbraw/zinc/72/94/01/569729401.db2.gz HLOMFWSPAFGJDI-SZXQPVLSSA-N 1 0 453.548 7.405 50 0 JKAARO Cc1cc(OC2=CC[N@H+](CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)ccc1F ZINC000095918221 569729711 /nfs/dbraw/zinc/72/97/11/569729711.db2.gz KAXZGULZKCCOMC-UHFFFAOYSA-N 1 0 451.532 6.993 50 0 JKAARO Cc1ccc(Cc2nc3c(cnn3-c3ccccc3)c(N3CCC[N@H+](Cc4ccccc4)CC3)n2)cc1 ZINC000035927815 569730647 /nfs/dbraw/zinc/73/06/47/569730647.db2.gz ZEUMBYNQTBMBKI-UHFFFAOYSA-N 1 0 488.639 5.427 50 0 JKAARO Cc1ccc(Cc2nc3c(cnn3-c3ccccc3)c(N3CCC[N@H+](Cc4ccco4)CC3)n2)cc1 ZINC000035927813 569730673 /nfs/dbraw/zinc/73/06/73/569730673.db2.gz TUHVJFDUDPTWQD-UHFFFAOYSA-N 1 0 478.600 5.020 50 0 JKAARO Cc1ccc(Cc2nc3c(cnn3-c3ccccc3)c(N3CCC[N@H+](Cc4cccs4)CC3)n2)cc1 ZINC000035927817 569730709 /nfs/dbraw/zinc/73/07/09/569730709.db2.gz SYAMJGSKVSWEPU-UHFFFAOYSA-N 1 0 494.668 5.489 50 0 JKAARO Nc1c2c(nn1-c1ccc(Cl)c(Cl)c1)nc(NCC[NH+]1CCCCC1)nc2-c1ccccc1 ZINC000035929540 569731416 /nfs/dbraw/zinc/73/14/16/569731416.db2.gz WZJMVQTUCVGMFE-UHFFFAOYSA-N 1 0 482.419 5.269 50 0 JKAARO C[N@@H+]1CC[C@@H](OC(=O)C(c2ccccc2)c2ccccc2)C(c2ccccc2)(c2ccccc2)C1 ZINC000096028150 569732160 /nfs/dbraw/zinc/73/21/60/569732160.db2.gz OTWUBKBEXROCOU-GDLZYMKVSA-N 1 0 461.605 6.052 50 0 JKAARO COc1ccc(CC[NH2+]Cc2cnc(C)c3oc(-c4cc(=O)oc5c(C)c(C)ccc45)cc32)cc1OC ZINC000096115935 569734945 /nfs/dbraw/zinc/73/49/45/569734945.db2.gz OKOWXNDAGLBBMZ-UHFFFAOYSA-N 1 0 498.579 5.876 50 0 biogenic JKAARO Cc1ncc(C[N@@H+]2CCCC[C@@H]2CCO)c2cc(-c3cc(=O)oc4cc5c(cc43)CCC5)oc21 ZINC000096116477 569735512 /nfs/dbraw/zinc/73/55/12/569735512.db2.gz NLKDRXVWMDUWSV-OAQYLSRUSA-N 1 0 458.558 5.135 50 0 biogenic JKAARO O=C(COc1ccc2c(c1)[C@@H](c1ccccc1)[N@@H+](Cc1ccccc1)CC2)NCc1ccco1 ZINC000096280549 569740042 /nfs/dbraw/zinc/74/00/42/569740042.db2.gz UEYGUVPBPJQZSD-GDLZYMKVSA-N 1 0 452.554 5.123 50 0 JKAARO Clc1ccc2c(c1)C[C@@H](S[C@H](C[NH2+]C1CCCCC1)c1ccccc1)c1ccccc1S2 ZINC000096568860 569741409 /nfs/dbraw/zinc/74/14/09/569741409.db2.gz PWORCPYBYQLGLF-VSGBNLITSA-N 1 0 480.142 8.485 50 0 JKAARO CCOC(=O)c1c2cc(OC(C)=O)c(Br)cc2n(-c2ccc(Cl)cc2)c1C[NH+](C)C ZINC000096593997 569742226 /nfs/dbraw/zinc/74/22/26/569742226.db2.gz ACWSJYBYIGCOTH-UHFFFAOYSA-N 1 0 493.785 5.210 50 0 JKAARO O=C(/C=C\c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)NC1CC[NH+](C2CC2)CC1 ZINC000096837140 569743310 /nfs/dbraw/zinc/74/33/10/569743310.db2.gz SROWUEQNOISKCM-RAXLEYEMSA-N 1 0 452.558 5.042 50 0 JKAARO O=C1C2=C(C(c3ccccc3)=[NH+]CCN2)[C@H](c2ccc(F)cc2)N1c1cccc(C(F)(F)F)c1 ZINC000096834724 569743317 /nfs/dbraw/zinc/74/33/17/569743317.db2.gz KQXGLJJFXPVKCC-DEOSSOPVSA-N 1 0 465.450 5.279 50 0 JKAARO Cc1ccccc1-n1cc(-c2ccccc2)c2c1ncnc2N1CC[NH+](Cc2ccccc2)CC1 ZINC000097730304 569745840 /nfs/dbraw/zinc/74/58/40/569745840.db2.gz UYPXZGRIHRQITC-UHFFFAOYSA-N 1 0 459.597 5.718 50 0 JKAARO Cc1ccc(C)c(C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@@H](O)COc2ccc(Cl)cc2)c1 ZINC000036031497 569752037 /nfs/dbraw/zinc/75/20/37/569752037.db2.gz AOILCUQZOFFTFQ-HSZRJFAPSA-N 1 0 453.966 5.128 50 0 JKAARO Cc1ccc(C[N@H+](Cc2ccc(C(O)(c3cccc(F)c3)c3cccc(F)c3)o2)CC(C)C)o1 ZINC000036202566 569757088 /nfs/dbraw/zinc/75/70/88/569757088.db2.gz SGUQJUXKAZTPCK-UHFFFAOYSA-N 1 0 465.540 6.402 50 0 JKAARO CCN(CC)c1onc(-c2ccc(F)cc2)c1C[N@H+](CCC(C)C)C[C@@H](O)COCc1ccccc1 ZINC000036249751 569758031 /nfs/dbraw/zinc/75/80/31/569758031.db2.gz UWCHKQSLWHVZTA-AREMUKBSSA-N 1 0 497.655 5.753 50 0 JKAARO Cc1ccc(NC(=O)N(CC[NH+](C)C)Cc2c(-c3ccccc3)noc2N(C)C2CCCCC2)cc1 ZINC000036249650 569758034 /nfs/dbraw/zinc/75/80/34/569758034.db2.gz CRUGMZKUOVLDNA-UHFFFAOYSA-N 1 0 489.664 6.015 50 0 JKAARO CC(C)COC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C(C)C ZINC000036301565 569759014 /nfs/dbraw/zinc/75/90/14/569759014.db2.gz OPTWZYUKRXJALC-QHCPKHFHSA-N 1 0 451.611 5.123 50 0 JKAARO CC(C)COC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C(C)C ZINC000036301563 569759042 /nfs/dbraw/zinc/75/90/42/569759042.db2.gz OPTWZYUKRXJALC-HSZRJFAPSA-N 1 0 451.611 5.123 50 0 JKAARO CCC[N@@H+](Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccc(OC)cc1)C[C@H](O)COCC ZINC000036301686 569759174 /nfs/dbraw/zinc/75/91/74/569759174.db2.gz BQOCKFNTVKCBQF-QFIPXVFZSA-N 1 0 488.028 5.244 50 0 JKAARO C[C@@H]1CCCCN1c1onc(-c2ccccc2)c1CN(CC[NH+](C)C)C(=O)c1ccccc1F ZINC000036312852 569760443 /nfs/dbraw/zinc/76/04/43/569760443.db2.gz CIGZWXJNWWAZKJ-HXUWFJFHSA-N 1 0 464.585 5.064 50 0 JKAARO Cc1ccccc1OC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)noc1N1CCCCC1)CC1CC1 ZINC000036313046 569760644 /nfs/dbraw/zinc/76/06/44/569760644.db2.gz AEBKMWIKAWLQKO-RUZDIDTESA-N 1 0 475.633 5.292 50 0 JKAARO CCCC[C@@H](O)C[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C1CC1 ZINC000036313659 569760770 /nfs/dbraw/zinc/76/07/70/569760770.db2.gz SYIJGPACDQZDTI-HSZRJFAPSA-N 1 0 463.622 5.751 50 0 JKAARO CCCC[C@H](O)C[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1cccc(OC)c1)CC1CC1 ZINC000036313663 569760886 /nfs/dbraw/zinc/76/08/86/569760886.db2.gz BNIMEAXHNKEFLC-DEOSSOPVSA-N 1 0 477.649 5.999 50 0 JKAARO CCCCOC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)[C@@H](C)CC ZINC000036313785 569761086 /nfs/dbraw/zinc/76/10/86/569761086.db2.gz WOKWODHSXXCWSG-LADGPHEKSA-N 1 0 495.664 5.666 50 0 JKAARO CCCCOC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)CC(C)C ZINC000036313812 569761095 /nfs/dbraw/zinc/76/10/95/569761095.db2.gz GLOLDEWTLYMMSI-QHCPKHFHSA-N 1 0 483.628 5.654 50 0 JKAARO CCCCOC[C@@H](O)C[N@H+](CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1 ZINC000036313836 569761107 /nfs/dbraw/zinc/76/11/07/569761107.db2.gz NCWJRMHHTVHIHX-QHCPKHFHSA-N 1 0 469.601 5.408 50 0 JKAARO CCCC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)CC(C)C ZINC000036313810 569761113 /nfs/dbraw/zinc/76/11/13/569761113.db2.gz JRSXCCKQNVQJFH-JOCHJYFZSA-N 1 0 453.602 6.028 50 0 JKAARO CCCCOC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1)C1CC1 ZINC000036313776 569761116 /nfs/dbraw/zinc/76/11/16/569761116.db2.gz HRHVYEBHBUUGSJ-QHCPKHFHSA-N 1 0 479.621 5.030 50 0 JKAARO CCCCOC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)CC(C)C ZINC000036313797 569761119 /nfs/dbraw/zinc/76/11/19/569761119.db2.gz UKTLQGMFGIMSNI-XMMPIXPASA-N 1 0 495.664 5.524 50 0 JKAARO CCCCOC[C@@H](O)C[N@H+](CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC ZINC000036313794 569761168 /nfs/dbraw/zinc/76/11/68/569761168.db2.gz AQDQFMZPGXOENC-QHCPKHFHSA-N 1 0 481.637 5.278 50 0 JKAARO CCCC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)CC(C)C ZINC000036313796 569761213 /nfs/dbraw/zinc/76/12/13/569761213.db2.gz GJULVXIDBGXJNC-HSZRJFAPSA-N 1 0 465.638 5.897 50 0 JKAARO CCCC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C(C)C ZINC000036313905 569761395 /nfs/dbraw/zinc/76/13/95/569761395.db2.gz GGSOLJOWMKNCKI-QHCPKHFHSA-N 1 0 451.611 5.743 50 0 JKAARO CCCCOC[C@@H](O)C[N@H+](CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F ZINC000036313898 569761411 /nfs/dbraw/zinc/76/14/11/569761411.db2.gz ZQQNHSKXBZAYCK-QHCPKHFHSA-N 1 0 487.591 5.641 50 0 JKAARO CCCCOC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccccc1)CC1CC1 ZINC000036313857 569761429 /nfs/dbraw/zinc/76/14/29/569761429.db2.gz SAUPBZDTCOZYDY-RUZDIDTESA-N 1 0 498.067 6.016 50 0 JKAARO CCCCOC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)CC1CC1 ZINC000036313910 569761450 /nfs/dbraw/zinc/76/14/50/569761450.db2.gz GEKJKHWXWRPTMF-VWLOTQADSA-N 1 0 493.648 5.371 50 0 JKAARO CCCC[C@H](O)C[N@H+](CCC)Cc1c(CC)nn(-c2ccc(OC)cc2)c1Oc1ccccc1OC ZINC000036313887 569761483 /nfs/dbraw/zinc/76/14/83/569761483.db2.gz DWDLPEUWIQOQGD-QHCPKHFHSA-N 1 0 495.664 6.007 50 0 JKAARO CCCCOC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C(C)C ZINC000036313907 569761492 /nfs/dbraw/zinc/76/14/92/569761492.db2.gz DXSULZNXWARMBN-XMMPIXPASA-N 1 0 481.637 5.370 50 0 JKAARO CCCCOC[C@H](O)C[N@H+](CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1 ZINC000036313937 569761553 /nfs/dbraw/zinc/76/15/53/569761553.db2.gz CYVIRIYPURXVFU-HSZRJFAPSA-N 1 0 481.637 5.278 50 0 JKAARO CCCCOC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C(C)C ZINC000036313984 569761607 /nfs/dbraw/zinc/76/16/07/569761607.db2.gz HSQKCDFHFOQSGV-QHCPKHFHSA-N 1 0 469.601 5.407 50 0 JKAARO CCCCOC[C@H](O)C[N@H+](CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1 ZINC000036313959 569761618 /nfs/dbraw/zinc/76/16/18/569761618.db2.gz AVRSNNZNMGPOPT-HSZRJFAPSA-N 1 0 481.637 5.278 50 0 JKAARO CCCC[C@H](O)C[N@H+](CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1 ZINC000036313971 569761672 /nfs/dbraw/zinc/76/16/72/569761672.db2.gz LHARKZGHRGUSJX-QFIPXVFZSA-N 1 0 455.574 5.018 50 0 JKAARO CCCCOC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)CC1CC1 ZINC000036313923 569761684 /nfs/dbraw/zinc/76/16/84/569761684.db2.gz MFNYOZNNVBRIDJ-RUZDIDTESA-N 1 0 493.648 5.371 50 0 JKAARO CCOC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1F)CC(C)C ZINC000036316119 569762105 /nfs/dbraw/zinc/76/21/05/569762105.db2.gz YKLZDUXAEJEQMU-NRFANRHFSA-N 1 0 473.564 5.013 50 0 JKAARO CC(C)COC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1F)CC1CC1 ZINC000036316163 569762117 /nfs/dbraw/zinc/76/21/17/569762117.db2.gz YRLDUIXUIGNLAG-QHCPKHFHSA-N 1 0 499.602 5.403 50 0 JKAARO Cc1ccc(Oc2c(C[N@@H+](C[C@H](O)COc3ccccc3C)C(C)C)c(-c3ccccc3)nn2C)cc1 ZINC000036316026 569762120 /nfs/dbraw/zinc/76/21/20/569762120.db2.gz QICHOERVFPEYCW-SANMLTNESA-N 1 0 499.655 6.147 50 0 JKAARO Cc1ccc(Oc2c(C[N@@H+](C[C@@H](O)COc3ccccc3)C(C)C)c(-c3ccccc3)nn2C)cc1 ZINC000036316021 569762164 /nfs/dbraw/zinc/76/21/64/569762164.db2.gz NQBIKSXAQMYINF-RUZDIDTESA-N 1 0 485.628 5.838 50 0 JKAARO CCOC[C@H](O)C[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1)CC(C)C ZINC000036316243 569762369 /nfs/dbraw/zinc/76/23/69/569762369.db2.gz AQAKVZAHVKQSQX-HSZRJFAPSA-N 1 0 451.611 5.082 50 0 JKAARO CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@H+](CC(C)C)C[C@@H](O)COC(C)C ZINC000036316231 569762393 /nfs/dbraw/zinc/76/23/93/569762393.db2.gz BFFBSJYCSBDBBQ-XMMPIXPASA-N 1 0 465.638 5.471 50 0 JKAARO CCOC[C@@H](O)C[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1)CC(C)C ZINC000036316242 569762405 /nfs/dbraw/zinc/76/24/05/569762405.db2.gz AQAKVZAHVKQSQX-QHCPKHFHSA-N 1 0 451.611 5.082 50 0 JKAARO CC(C)COC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)C1CC1 ZINC000036316185 569762408 /nfs/dbraw/zinc/76/24/08/569762408.db2.gz AOCMPTDXAUXDCI-QFIPXVFZSA-N 1 0 467.585 5.016 50 0 JKAARO CC(C)COC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)C1CC1 ZINC000036316184 569762436 /nfs/dbraw/zinc/76/24/36/569762436.db2.gz AOCMPTDXAUXDCI-JOCHJYFZSA-N 1 0 467.585 5.016 50 0 JKAARO CCOC[C@@H](O)C[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1)[C@@H](C)CC ZINC000036316290 569762510 /nfs/dbraw/zinc/76/25/10/569762510.db2.gz JWLNMDNBMHROPI-GMAHTHKFSA-N 1 0 451.611 5.225 50 0 JKAARO CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@H+](C[C@@H](O)COC(C)(C)C)CC1CC1 ZINC000036316333 569762543 /nfs/dbraw/zinc/76/25/43/569762543.db2.gz CYUVIGGAGDCPHN-XMMPIXPASA-N 1 0 477.649 5.615 50 0 JKAARO CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@H+](C[C@@H](O)c1ccccc1)CC1CC1 ZINC000036316319 569762560 /nfs/dbraw/zinc/76/25/60/569762560.db2.gz GHLZJJWAMDOAFO-GDLZYMKVSA-N 1 0 467.613 6.173 50 0 JKAARO CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@H+](C[C@@H](O)COc1ccccc1)C(C)C ZINC000036316259 569762665 /nfs/dbraw/zinc/76/26/65/569762665.db2.gz CGTYQOKNFJADTL-RUZDIDTESA-N 1 0 485.628 5.877 50 0 JKAARO CCc1nn(-c2ccccc2)c(Oc2ccc(OC)cc2)c1C[N@H+](C[C@@H](O)COC(C)(C)C)C(C)C ZINC000036316385 569762769 /nfs/dbraw/zinc/76/27/69/569762769.db2.gz GPQOEQJVGGEKFE-HSZRJFAPSA-N 1 0 495.664 5.622 50 0 JKAARO CCc1nn(-c2ccccc2)c(Oc2ccc(OC)cc2)c1C[N@@H+](CC(C)C)C[C@H](O)CC ZINC000036316350 569762814 /nfs/dbraw/zinc/76/28/14/569762814.db2.gz CXOJHLALXCQWBD-JOCHJYFZSA-N 1 0 451.611 5.465 50 0 JKAARO CCc1nn(-c2ccccc2)c(Oc2ccc(OC)cc2)c1C[N@H+](C[C@@H](O)COC(C)C)C(C)C ZINC000036316379 569762835 /nfs/dbraw/zinc/76/28/35/569762835.db2.gz FZJGEVIOCIPGJG-HSZRJFAPSA-N 1 0 481.637 5.232 50 0 JKAARO CCC[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C[C@@H](O)COC(C)C ZINC000036316425 569763135 /nfs/dbraw/zinc/76/31/35/569763135.db2.gz OEIVMPKBYHQLTR-HSZRJFAPSA-N 1 0 481.637 5.234 50 0 JKAARO CCOC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)C(C)C ZINC000036316556 569763175 /nfs/dbraw/zinc/76/31/75/569763175.db2.gz WZHHUNBEAQUHIS-HXUWFJFHSA-N 1 0 458.002 5.141 50 0 JKAARO CCCC[C@H](O)C[NH+]1CCN(c2nc(-c3ccccc3)nc(C)c2Cc2ccccc2C)CC1 ZINC000036340156 569763554 /nfs/dbraw/zinc/76/35/54/569763554.db2.gz LGCKSLLFIKQMIX-SANMLTNESA-N 1 0 458.650 5.024 50 0 JKAARO Cc1ccccc1Cc1c(C)nc(-c2ccccc2)nc1N1CC[NH+](C[C@@H](O)Cc2ccccc2)CC1 ZINC000036340145 569763600 /nfs/dbraw/zinc/76/36/00/569763600.db2.gz ACHPRESSJRCCLM-LJAQVGFWSA-N 1 0 492.667 5.077 50 0 JKAARO CCCC[C@H](O)C[NH+]1CCN(c2nc(-c3ccccc3)nc(C)c2Cc2cccc(C)c2)CC1 ZINC000036340595 569764033 /nfs/dbraw/zinc/76/40/33/569764033.db2.gz AIWXUNFRPIQLTF-SANMLTNESA-N 1 0 458.650 5.024 50 0 JKAARO COc1ccc(C2=NN(C(=O)C[NH+]3CCC(Cc4ccccc4)CC3)[C@@H](c3ccccc3)C2)c(OC)c1 ZINC000036341650 569764643 /nfs/dbraw/zinc/76/46/43/569764643.db2.gz PFEPLQWMQKXJSG-GDLZYMKVSA-N 1 0 497.639 5.336 50 0 JKAARO Cc1ccc(C2=NN(C(=O)C[NH+]3CCC(Cc4ccccc4)CC3)[C@@H](c3ccccc3)C2)cc1C ZINC000036341594 569764726 /nfs/dbraw/zinc/76/47/26/569764726.db2.gz OSRGTNFPJJEEBT-SSEXGKCCSA-N 1 0 465.641 5.936 50 0 JKAARO O=C(C[NH+]1CCC(Cc2ccccc2)CC1)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccc2c(c1)OCO2 ZINC000036341783 569764873 /nfs/dbraw/zinc/76/48/73/569764873.db2.gz HPSMZUQBUXKCGF-MHZLTWQESA-N 1 0 499.586 5.187 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[N@H+](CC(C)C)C[C@@H](O)COC(C)C ZINC000036342023 569764994 /nfs/dbraw/zinc/76/49/94/569764994.db2.gz GMQXMKFODAEIIW-XMMPIXPASA-N 1 0 469.601 5.356 50 0 JKAARO CC[C@H](C)[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C[C@H](O)COCC(C)C ZINC000036341985 569765066 /nfs/dbraw/zinc/76/50/66/569765066.db2.gz PNSFRKJRAJXYBE-DHLKQENFSA-N 1 0 495.664 5.616 50 0 JKAARO COc1cccc(Oc2c(C[N@H+](CC(C)C)C[C@@H](O)COC(C)(C)C)c(C)nn2-c2ccccc2)c1 ZINC000036341973 569765132 /nfs/dbraw/zinc/76/51/32/569765132.db2.gz AETLXXHNRYRAJK-XMMPIXPASA-N 1 0 495.664 5.616 50 0 JKAARO CCOC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(Cl)cc1)CC(C)C ZINC000036341954 569765155 /nfs/dbraw/zinc/76/51/55/569765155.db2.gz XGQXMGZBDANYLB-HSZRJFAPSA-N 1 0 472.029 5.482 50 0 JKAARO CC[C@@H](C)[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C[C@H](O)COC(C)C ZINC000036342070 569765308 /nfs/dbraw/zinc/76/53/08/569765308.db2.gz HAZHDLFDAJMUBC-YKSBVNFPSA-N 1 0 469.601 5.499 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[N@H+](CC(C)C)C[C@@H](O)COC(C)(C)C ZINC000036342031 569765327 /nfs/dbraw/zinc/76/53/27/569765327.db2.gz DQXFHNOOOXGOSE-XMMPIXPASA-N 1 0 483.628 5.746 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[N@H+](C[C@@H](O)COC(C)(C)C)CC1CC1 ZINC000036342125 569765491 /nfs/dbraw/zinc/76/54/91/569765491.db2.gz LKFKBIOFDUBFKV-XMMPIXPASA-N 1 0 481.612 5.500 50 0 JKAARO Cc1cccc(C2=NN(C(=O)C[NH+]3CCC(Cc4ccccc4)CC3)[C@H](c3ccccc3Cl)C2)c1 ZINC000036343810 569766557 /nfs/dbraw/zinc/76/65/57/569766557.db2.gz JQLKOLHCDOJJEU-LJAQVGFWSA-N 1 0 486.059 6.281 50 0 JKAARO COc1ccc(OC)c([C@H]2CC(c3ccccc3)=NN2C(=O)C[NH+]2CCC(Cc3ccccc3)CC2)c1 ZINC000036344342 569766883 /nfs/dbraw/zinc/76/68/83/569766883.db2.gz XOGLXGBTOYRBBC-GDLZYMKVSA-N 1 0 497.639 5.336 50 0 JKAARO COc1cccc(C2=NN(C(=O)C[NH+]3CCC(Cc4ccccc4)CC3)[C@H](c3cc(C)ccc3C)C2)c1 ZINC000036344586 569767146 /nfs/dbraw/zinc/76/71/46/569767146.db2.gz LMRJTSBVQJRKEK-HKBQPEDESA-N 1 0 495.667 5.944 50 0 JKAARO COc1ccc(C2=NN(C(=O)C[NH+]3CCC(Cc4ccccc4)CC3)[C@@H](c3ccccc3C)C2)cc1 ZINC000036344918 569767471 /nfs/dbraw/zinc/76/74/71/569767471.db2.gz RFZJSKWJXKOXRM-SSEXGKCCSA-N 1 0 481.640 5.636 50 0 JKAARO COc1ccc([C@@H]2CC(c3ccccc3OC)=NN2C(=O)C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000036345157 569767699 /nfs/dbraw/zinc/76/76/99/569767699.db2.gz UITKWYCRLLOMQA-LJAQVGFWSA-N 1 0 497.639 5.336 50 0 JKAARO COc1ccc(C2=NN(C(=O)C[NH+]3CCC(Cc4ccccc4)CC3)[C@H](c3ccc(C)cc3C)C2)cc1 ZINC000036345769 569768157 /nfs/dbraw/zinc/76/81/57/569768157.db2.gz BBDPNPWPHFQPJK-HKBQPEDESA-N 1 0 495.667 5.944 50 0 JKAARO Cc1ccccc1[C@H]1CC(c2cccc(F)c2)=NN1C(=O)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000036345720 569768185 /nfs/dbraw/zinc/76/81/85/569768185.db2.gz NILVLUBJZKDYER-GDLZYMKVSA-N 1 0 469.604 5.767 50 0 JKAARO CCc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[N@H+](C[C@@H](O)COC(C)C)C(C)C ZINC000036345800 569768236 /nfs/dbraw/zinc/76/82/36/569768236.db2.gz RTSOXBRVGHZHTN-HSZRJFAPSA-N 1 0 469.601 5.362 50 0 JKAARO COc1cccc([C@@H]2CC(c3cc(C)ccc3C)=NN2C(=O)C[NH+]2CCC(Cc3ccccc3)CC2)c1 ZINC000036345695 569768270 /nfs/dbraw/zinc/76/82/70/569768270.db2.gz KPGKMYBSZSOQLB-HKBQPEDESA-N 1 0 495.667 5.944 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@@H+](C[C@@H](O)c1ccccc1)C(C)C ZINC000036345852 569768328 /nfs/dbraw/zinc/76/83/28/569768328.db2.gz BVOPHELQAZEIRI-MUUNZHRXSA-N 1 0 455.602 6.225 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@@H+](C[C@H](O)COCc1ccccc1)C(C)C ZINC000036345855 569768352 /nfs/dbraw/zinc/76/83/52/569768352.db2.gz VNBVEVACDICEKP-NDEPHWFRSA-N 1 0 499.655 6.070 50 0 JKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@@H](O)c1ccccc1 ZINC000036345908 569768427 /nfs/dbraw/zinc/76/84/27/569768427.db2.gz LSMXQIANMUILMV-MUUNZHRXSA-N 1 0 455.602 6.227 50 0 JKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@H](O)COCc1ccccc1 ZINC000036345911 569768601 /nfs/dbraw/zinc/76/86/01/569768601.db2.gz NJYNMSBGHMGZIV-NDEPHWFRSA-N 1 0 499.655 6.071 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@H+](C[C@H](O)COC(C)(C)C)CC1CC1 ZINC000036345949 569768677 /nfs/dbraw/zinc/76/86/77/569768677.db2.gz RYSVLAXRSDLODX-VWLOTQADSA-N 1 0 477.649 5.669 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@H+](C[C@H](O)COC(C)C)CC1CC1 ZINC000036345941 569768693 /nfs/dbraw/zinc/76/86/93/569768693.db2.gz KNRAFISEBOJZQW-VWLOTQADSA-N 1 0 463.622 5.279 50 0 JKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@@H](O)COCC(C)C ZINC000036346060 569768768 /nfs/dbraw/zinc/76/87/68/569768768.db2.gz HEIDMPYZRQGRMS-HSZRJFAPSA-N 1 0 469.601 5.358 50 0 JKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@H](O)COC(C)(C)C ZINC000036346067 569768804 /nfs/dbraw/zinc/76/88/04/569768804.db2.gz DOCVRMWVNURADV-QFIPXVFZSA-N 1 0 469.601 5.500 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@H+](C[C@@H](O)Cc1ccccc1)CC1CC1 ZINC000036346088 569768822 /nfs/dbraw/zinc/76/88/22/569768822.db2.gz KBCFPAJDYUAWKF-SANMLTNESA-N 1 0 485.603 5.928 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1C[N@H+](CC(C)C)C[C@@H](O)COC(C)C ZINC000036346116 569768949 /nfs/dbraw/zinc/76/89/49/569768949.db2.gz VQLZBTYEGDPUGT-RUZDIDTESA-N 1 0 465.638 5.525 50 0 JKAARO CCCCOC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)CC(C)C ZINC000036346214 569769163 /nfs/dbraw/zinc/76/91/63/569769163.db2.gz XPAXBIYBLGQDHI-VWLOTQADSA-N 1 0 483.628 5.748 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@@H+](CC(C)C)C[C@H](O)COCC(C)C ZINC000036346221 569769297 /nfs/dbraw/zinc/76/92/97/569769297.db2.gz SROBGHKZHWUEQB-VWLOTQADSA-N 1 0 483.628 5.604 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@H+](C[C@@H](O)Cc1ccccc1)C1CC1 ZINC000036346342 569769475 /nfs/dbraw/zinc/76/94/75/569769475.db2.gz VIULAZBSMAEKOM-SANMLTNESA-N 1 0 471.576 5.680 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@@H+](C[C@H](O)COC(C)(C)C)C(C)C ZINC000036346303 569769478 /nfs/dbraw/zinc/76/94/78/569769478.db2.gz CYVGNVBGJNGUTO-QHCPKHFHSA-N 1 0 469.601 5.499 50 0 JKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@@H](O)Cc1ccccc1 ZINC000036346377 569769784 /nfs/dbraw/zinc/76/97/84/569769784.db2.gz MIZOPHAXMJVYCG-SANMLTNESA-N 1 0 473.592 5.928 50 0 JKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@H](O)Cc1ccccc1 ZINC000036346376 569769805 /nfs/dbraw/zinc/76/98/05/569769805.db2.gz MIZOPHAXMJVYCG-AREMUKBSSA-N 1 0 473.592 5.928 50 0 JKAARO CCCCOC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccccc1F)C(C)C ZINC000036346593 569770013 /nfs/dbraw/zinc/77/00/13/569770013.db2.gz GBHUHIMWJASHOS-HSZRJFAPSA-N 1 0 487.591 5.639 50 0 JKAARO Cc1nn(-c2ccc(F)cc2)c(Oc2cccc(F)c2)c1C[N@@H+](C[C@@H](O)c1ccccc1)C(C)C ZINC000036346636 569770329 /nfs/dbraw/zinc/77/03/29/569770329.db2.gz UDHQKCMABXASSS-HHHXNRCGSA-N 1 0 477.555 6.195 50 0 JKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1cccc(F)c1)C[C@H](O)COCC(C)C ZINC000036346655 569770332 /nfs/dbraw/zinc/77/03/32/569770332.db2.gz LXACEASVEDFNSR-DEOSSOPVSA-N 1 0 487.591 5.497 50 0 JKAARO Cc1nn(-c2ccc(F)cc2)c(Oc2cccc(F)c2)c1C[N@@H+](C[C@H](O)c1ccccc1)C(C)C ZINC000036346635 569770335 /nfs/dbraw/zinc/77/03/35/569770335.db2.gz UDHQKCMABXASSS-MHZLTWQESA-N 1 0 477.555 6.195 50 0 JKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1cccc(F)c1)C[C@H](O)COC(C)C ZINC000036346651 569770359 /nfs/dbraw/zinc/77/03/59/569770359.db2.gz KMTZRCANRMIKGI-QHCPKHFHSA-N 1 0 473.564 5.249 50 0 JKAARO Cc1nn(-c2ccc(F)cc2)c(Oc2cccc(F)c2)c1C[N@@H+](C[C@@H](O)COC(C)C)C(C)C ZINC000036346638 569770383 /nfs/dbraw/zinc/77/03/83/569770383.db2.gz VYIZGCSNSZCAFX-HSZRJFAPSA-N 1 0 473.564 5.248 50 0 JKAARO Cc1nn(-c2ccc(F)cc2)c(Oc2ccc(F)cc2)c1C[N@H+](C[C@@H](O)Cc1ccccc1)C1CC1 ZINC000036346722 569770527 /nfs/dbraw/zinc/77/05/27/569770527.db2.gz KIUWBHZQVJGARZ-SANMLTNESA-N 1 0 489.566 5.819 50 0 JKAARO CCCC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)Cc1ccccc1 ZINC000036346810 569770752 /nfs/dbraw/zinc/77/07/52/569770752.db2.gz KIWLJXMOGOOHCN-HHHXNRCGSA-N 1 0 483.656 6.741 50 0 JKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1)C[C@H](O)COCC(C)C ZINC000036346751 569770792 /nfs/dbraw/zinc/77/07/92/569770792.db2.gz CPTROJWXDUICOO-DEOSSOPVSA-N 1 0 487.591 5.497 50 0 JKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1)C[C@@H](O)COC(C)C ZINC000036346746 569770824 /nfs/dbraw/zinc/77/08/24/569770824.db2.gz CKXMLGAWMWUXSL-HSZRJFAPSA-N 1 0 473.564 5.249 50 0 JKAARO Cc1ccc(Oc2c(C[N@H+](CC(C)C)C[C@H](O)COC(C)C)c(-c3ccccc3)nn2C)cc1 ZINC000036346771 569770857 /nfs/dbraw/zinc/77/08/57/569770857.db2.gz DDUDKQRIHNLZLJ-DEOSSOPVSA-N 1 0 465.638 5.432 50 0 JKAARO CC1(C)CC(NC(=O)[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)c2ccccc2)CC(C)(C)[NH2+]1 ZINC000036584568 569776958 /nfs/dbraw/zinc/77/69/58/569776958.db2.gz VZAPSFVFTMKZJL-MHZLTWQESA-N 1 0 483.656 5.101 50 0 JKAARO Cc1ccc([C@@H](CC(=O)NCC[NH+]2CCCC2)c2cn(Cc3ccccc3)c3ccccc23)cc1 ZINC000037380075 569784882 /nfs/dbraw/zinc/78/48/82/569784882.db2.gz DUNFWDRHJKLSAC-MUUNZHRXSA-N 1 0 465.641 5.732 50 0 JKAARO CC[C@H](C(=O)NCC[NH+]1CCCC1)n1c(Cc2c(Cl)cccc2Cl)nc2ccccc21 ZINC000037398414 569787239 /nfs/dbraw/zinc/78/72/39/569787239.db2.gz FIFXGDZEHQAVQT-OAQYLSRUSA-N 1 0 459.421 5.097 50 0 JKAARO CC[C@@H](C(=O)NCC[NH+](C)C)N(c1nc(-c2ccc(F)cc2)cs1)c1ccc(Cl)cc1 ZINC000037438850 569790446 /nfs/dbraw/zinc/79/04/46/569790446.db2.gz ADNGCNVJONFIKC-NRFANRHFSA-N 1 0 461.006 5.197 50 0 JKAARO COc1cccc(C[N@@H+]2C[C@@H](CN(CC(C)C)C(=O)c3ccc(C)cc3)[C@@H](c3ccccc3)C2)c1 ZINC000037524005 569792788 /nfs/dbraw/zinc/79/27/88/569792788.db2.gz LLKDNABYKWXPPT-MFMCTBQISA-N 1 0 470.657 6.018 50 0 JKAARO COCCN(C[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2)C[C@@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000037523701 569792834 /nfs/dbraw/zinc/79/28/34/569792834.db2.gz DHAGJVWJCBQOKF-XUZZJYLKSA-N 1 0 480.546 5.191 50 0 JKAARO COc1ccccc1[C@H]1C[N@H+](Cc2ccc(F)c(F)c2)C[C@H]1CN(CC(C)C)C(=O)C(C)C ZINC000037523979 569792889 /nfs/dbraw/zinc/79/28/89/569792889.db2.gz YDVAVRUXNFOTJQ-GMAHTHKFSA-N 1 0 458.593 5.330 50 0 JKAARO COCCN(C[C@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2)C[C@@H]1c1ccccc1C)C(=O)C(C)C ZINC000037523676 569792903 /nfs/dbraw/zinc/79/29/03/569792903.db2.gz XPEYLXKWZFOJEJ-RDGATRHJSA-N 1 0 476.583 5.360 50 0 JKAARO COc1ccccc1C[NH+]1CCC(N(C(=O)c2cccc(Cl)c2)c2ccc(F)cc2)CC1 ZINC000037559952 569795569 /nfs/dbraw/zinc/79/55/69/569795569.db2.gz CWOBMBLPTVIFBT-UHFFFAOYSA-N 1 0 452.957 5.799 50 0 JKAARO COc1cccc(N(C(=O)c2cccc(Cl)c2)C2CC[NH+](Cc3ccc(F)cc3)CC2)c1 ZINC000037570527 569795658 /nfs/dbraw/zinc/79/56/58/569795658.db2.gz FAHFPHFGGQWJMS-UHFFFAOYSA-N 1 0 452.957 5.799 50 0 JKAARO COc1cc(C[NH+]2CCC(N(C(=O)c3ccccc3OC)c3cccc(C)c3)CC2)cc(OC)c1 ZINC000037560858 569795700 /nfs/dbraw/zinc/79/57/00/569795700.db2.gz FHJOVZJYYSMBJW-UHFFFAOYSA-N 1 0 474.601 5.332 50 0 JKAARO COc1cccc(N(C(=O)c2cccc(Cl)c2)C2CC[NH+](Cc3ccccc3F)CC2)c1 ZINC000037570666 569795744 /nfs/dbraw/zinc/79/57/44/569795744.db2.gz BEQAATCNUFAIOH-UHFFFAOYSA-N 1 0 452.957 5.799 50 0 JKAARO COc1ccc(C[NH+]2CCC(N(c3ccc(C)cc3)S(=O)(=O)c3ccccc3C)CC2)cc1 ZINC000037570681 569795914 /nfs/dbraw/zinc/79/59/14/569795914.db2.gz WTGJKUCDZUQMFG-UHFFFAOYSA-N 1 0 464.631 5.172 50 0 JKAARO Cc1ccc(S(=O)(=O)N(c2ccc(F)cc2)C2CC[NH+](Cc3cccc(C)c3)CC2)cc1 ZINC000037572253 569795928 /nfs/dbraw/zinc/79/59/28/569795928.db2.gz MFKDDQXJTKGQLG-UHFFFAOYSA-N 1 0 452.595 5.302 50 0 JKAARO COc1cccc(C[NH+]2CCC(N(c3ccc(F)cc3)S(=O)(=O)c3cccc(C)c3)CC2)c1 ZINC000037572267 569796012 /nfs/dbraw/zinc/79/60/12/569796012.db2.gz SPEPCRRWGGOHMR-UHFFFAOYSA-N 1 0 468.594 5.003 50 0 JKAARO COc1ccc([C@@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)[NH+]2CCCCC2)cc1OC ZINC000038546136 569802606 /nfs/dbraw/zinc/80/26/06/569802606.db2.gz KWWXXLGJFXIGNF-VWLOTQADSA-N 1 0 480.630 6.065 50 0 JKAARO CCOc1ccc([C@@H](c2c(C)c(C)sc2NC(=O)c2cccs2)[NH+]2CCCCC2)cc1 ZINC000038545994 569802610 /nfs/dbraw/zinc/80/26/10/569802610.db2.gz CBZZBWCBERUYDY-QHCPKHFHSA-N 1 0 454.661 6.653 50 0 JKAARO COc1cccc([C@H](c2c(C)c(C)sc2NC(=O)c2cccs2)[NH+]2CCCCC2)c1OC ZINC000038546002 569802621 /nfs/dbraw/zinc/80/26/21/569802621.db2.gz AFSPPKJACNNMOG-JOCHJYFZSA-N 1 0 470.660 6.271 50 0 JKAARO COc1ccc([C@H](c2c(C)c(C)sc2NC(=O)c2cccs2)[NH+]2CCCCC2)c(OC)c1 ZINC000038545998 569802625 /nfs/dbraw/zinc/80/26/25/569802625.db2.gz WJJKRZPCMWJJFS-HSZRJFAPSA-N 1 0 470.660 6.271 50 0 JKAARO O=C(Nc1sc2c(c1[C@H](c1ccc3c(c1)OCO3)[NH+]1CCCCC1)CCCC2)c1ccco1 ZINC000038546139 569802634 /nfs/dbraw/zinc/80/26/34/569802634.db2.gz CQDGGJVJDVZXTQ-DEOSSOPVSA-N 1 0 464.587 5.776 50 0 JKAARO O=C(Nc1sc2c(c1[C@@H](c1ccc(OC(F)F)cc1)[NH+]1CCCCC1)CCCC2)c1ccco1 ZINC000038546134 569802677 /nfs/dbraw/zinc/80/26/77/569802677.db2.gz PJBCWNHLTNLPBR-HSZRJFAPSA-N 1 0 486.584 6.649 50 0 JKAARO O=C(Nc1sc2c(c1[C@H](c1ccc(Cl)cc1)[NH+]1CCCCC1)CCCC2)c1ccco1 ZINC000038545960 569802700 /nfs/dbraw/zinc/80/27/00/569802700.db2.gz UNFMOTLWIXLYFR-QHCPKHFHSA-N 1 0 455.023 6.701 50 0 JKAARO COc1cccc([C@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)[NH+]2CCCCC2)c1OC ZINC000038546141 569802713 /nfs/dbraw/zinc/80/27/13/569802713.db2.gz ISQSWAFBIBZMKI-XMMPIXPASA-N 1 0 480.630 6.065 50 0 JKAARO Cc1cc([C@H](c2ccc(OC(F)F)cc2)[NH+]2CCC(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546260 569802800 /nfs/dbraw/zinc/80/28/00/569802800.db2.gz VQYMOVCNULBOEH-NRFANRHFSA-N 1 0 460.546 6.325 50 0 JKAARO Cc1cc([C@@H](c2ccc(OC(F)F)cc2)[NH+]2CCC(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546259 569802838 /nfs/dbraw/zinc/80/28/38/569802838.db2.gz VQYMOVCNULBOEH-OAQYLSRUSA-N 1 0 460.546 6.325 50 0 JKAARO COc1ccc([C@H](c2cc(C)sc2NC(=O)c2ccco2)[NH+]2CCC(C)CC2)c(OC)c1 ZINC000038546265 569802845 /nfs/dbraw/zinc/80/28/45/569802845.db2.gz NRLXTSBJEGEWOX-HSZRJFAPSA-N 1 0 454.592 5.740 50 0 JKAARO CC1CC[NH+]([C@@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)c2ccc3c(c2)OCO3)CC1 ZINC000038546337 569802887 /nfs/dbraw/zinc/80/28/87/569802887.db2.gz XBDBQDAHCLOUCC-RUZDIDTESA-N 1 0 478.614 6.022 50 0 JKAARO CC1CC[NH+]([C@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)c2ccccc2F)CC1 ZINC000038546319 569802918 /nfs/dbraw/zinc/80/29/18/569802918.db2.gz LFIPKFXGDBELOD-DEOSSOPVSA-N 1 0 452.595 6.433 50 0 JKAARO COc1ccc([C@@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)[NH+]2CCC(C)CC2)c(OC)c1 ZINC000038546334 569802935 /nfs/dbraw/zinc/80/29/35/569802935.db2.gz IFGQRCKWDWMBLM-SANMLTNESA-N 1 0 494.657 6.311 50 0 JKAARO COc1ccccc1[C@H](c1c(NC(=O)c2ccco2)sc2c1CCCC2)[NH+]1CCC(C)CC1 ZINC000038546314 569802994 /nfs/dbraw/zinc/80/29/94/569802994.db2.gz GLVPZIHRJUFHRC-RUZDIDTESA-N 1 0 464.631 6.302 50 0 JKAARO CCc1cc([C@@H](c2ccc(Cl)cc2)N2CC[NH+](CC)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546531 569803191 /nfs/dbraw/zinc/80/31/91/569803191.db2.gz VXRMTTLULZSSMB-JOCHJYFZSA-N 1 0 458.027 5.536 50 0 JKAARO CCc1cc([C@H](c2ccc(C(C)C)cc2)N2CC[NH+](CC)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546550 569803263 /nfs/dbraw/zinc/80/32/63/569803263.db2.gz YJYSCCLEMQXXPQ-VWLOTQADSA-N 1 0 465.663 6.006 50 0 JKAARO CC[NH+]1CCN([C@@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)c2cccc(Cl)c2)CC1 ZINC000038546576 569803347 /nfs/dbraw/zinc/80/33/47/569803347.db2.gz YZFVJYRRPKRNJN-XMMPIXPASA-N 1 0 484.065 5.853 50 0 JKAARO CC[NH+]1CCN([C@@H](c2c3c(sc2NC(=O)c2ccco2)CCCC3)c2cccc(OC)c2)CC1 ZINC000038546570 569803377 /nfs/dbraw/zinc/80/33/77/569803377.db2.gz OTFDWOXVWSLSBD-RUZDIDTESA-N 1 0 479.646 5.208 50 0 JKAARO CCc1cc([C@@H](c2ccc(Cl)cc2Cl)N2CC[NH+](CC)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546559 569803403 /nfs/dbraw/zinc/80/34/03/569803403.db2.gz LBUVTAAJUCJMSA-JOCHJYFZSA-N 1 0 492.472 6.190 50 0 JKAARO CC[NH+]1CCN([C@@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)c2ccc(Cl)cc2)CC1 ZINC000038546574 569803412 /nfs/dbraw/zinc/80/34/12/569803412.db2.gz AMBSIHMORPXGKG-XMMPIXPASA-N 1 0 484.065 5.853 50 0 JKAARO O=C(Nc1sc2c(c1[C@H](c1ccccc1)[NH+]1CCN(c3ccccc3)CC1)CCCC2)c1ccco1 ZINC000038546629 569803560 /nfs/dbraw/zinc/80/35/60/569803560.db2.gz VMCSGPDKXPNYNQ-NDEPHWFRSA-N 1 0 497.664 6.384 50 0 JKAARO CC[NH+]1CCN([C@@H](c2c(C)c(C)sc2NC(=O)c2cccs2)c2ccc3c(c2)OCO3)CC1 ZINC000038546801 569803698 /nfs/dbraw/zinc/80/36/98/569803698.db2.gz RETIIUQYYBQSAC-HSZRJFAPSA-N 1 0 483.659 5.134 50 0 JKAARO CC[NH+]1CCN([C@@H](c2c(C)c(C)sc2NC(=O)c2cccs2)c2ccccc2OC)CC1 ZINC000038546772 569803750 /nfs/dbraw/zinc/80/37/50/569803750.db2.gz UUCKSLIUHRGXNI-HSZRJFAPSA-N 1 0 469.676 5.414 50 0 JKAARO CC[NH+]1CCN([C@H](c2c(C)c(C)sc2NC(=O)c2cccs2)c2ccc3c(c2)OCO3)CC1 ZINC000038546800 569803772 /nfs/dbraw/zinc/80/37/72/569803772.db2.gz RETIIUQYYBQSAC-QHCPKHFHSA-N 1 0 483.659 5.134 50 0 JKAARO Cc1cc(C)c(NC(=O)CN2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)c(Cl)c1 ZINC000038729195 569806318 /nfs/dbraw/zinc/80/63/18/569806318.db2.gz ROGQITPESDUGBS-UHFFFAOYSA-N 1 0 453.936 5.122 50 0 JKAARO CCN1c2ccccc2S/C1=C\C=C1\C=C(/C=C/c2sc3ccccc3[n+]2CC)COC1 ZINC000039440189 569809863 /nfs/dbraw/zinc/80/98/63/569809863.db2.gz LIHIJXOJPRNRCM-UHFFFAOYSA-N 1 0 459.660 6.579 50 0 JKAARO CC1(C)CC2=C(SC(=O)c3ccccc3[C@H]2c2ccccc2F)N(C(=[NH2+])Nc2ccccc2)C1 ZINC000039929493 569812336 /nfs/dbraw/zinc/81/23/36/569812336.db2.gz CTRCFIJBCHDDGZ-DEOSSOPVSA-N 1 0 471.601 6.835 50 0 JKAARO O[C@H](C[NH2+]CC1(N2CCCCC2)CCCCC1)COC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000039945626 569812462 /nfs/dbraw/zinc/81/24/62/569812462.db2.gz RRTHZNDSKOOBFW-AREMUKBSSA-N 1 0 472.620 5.210 50 0 JKAARO COc1ccc([C@H]2[NH2+]C[C@@H](c3ccccc3)c3c4ccccc4[nH]c32)cc1OCc1ccccc1 ZINC000040013424 569813849 /nfs/dbraw/zinc/81/38/49/569813849.db2.gz KWRPUAOQVCRDMV-SETSBSEESA-N 1 0 460.577 6.580 50 0 JKAARO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)CCc3ncc(-c4c(F)cccc4F)o3)cc2)C1 ZINC000040121406 569816781 /nfs/dbraw/zinc/81/67/81/569816781.db2.gz CTPVCHTXIZFAAM-OALUTQOASA-N 1 0 467.560 5.347 50 0 JKAARO COc1ccc(-c2csc(C3=C(N)N(C4CC[NH+](Cc5ccccc5)CC4)CC3=O)n2)cc1OC ZINC000102721061 569817259 /nfs/dbraw/zinc/81/72/59/569817259.db2.gz DSJBRFHFIWBZSZ-UHFFFAOYSA-N 1 0 490.629 5.054 50 0 JKAARO COc1ccccc1[C@@H](CNC(=O)c1[nH]c2ccc(Br)cc2c1Cl)[NH+]1CCCC1 ZINC000040144913 569817681 /nfs/dbraw/zinc/81/76/81/569817681.db2.gz LBNVVEABOXNDSI-GOSISDBHSA-N 1 0 476.802 5.159 50 0 JKAARO O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N1C[C@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000040146327 569818011 /nfs/dbraw/zinc/81/80/11/569818011.db2.gz KAFQRMPQHLRVRV-XMMPIXPASA-N 1 0 481.625 5.038 50 0 JKAARO C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+](C)CCCc1cc(-c2ccc(F)cc2)n(C)n1 ZINC000040155675 569820761 /nfs/dbraw/zinc/82/07/61/569820761.db2.gz RDXCBLKKYPEHOU-OAQYLSRUSA-N 1 0 470.592 5.785 50 0 JKAARO O=C1c2ccccc2/C(=C/NC[C@H](c2ccco2)[NH+]2CCCCCC2)C(=O)N1c1ccccc1 ZINC000102752203 569820992 /nfs/dbraw/zinc/82/09/92/569820992.db2.gz FHEUVLJUAKDWOG-RLDXSPPBSA-N 1 0 455.558 5.014 50 0 JKAARO O=C1c2ccccc2/C(=C/NC[C@@H](c2ccco2)[NH+]2CCCCCC2)C(=O)N1c1ccccc1 ZINC000102752199 569821114 /nfs/dbraw/zinc/82/11/14/569821114.db2.gz FHEUVLJUAKDWOG-ZNDLMVGJSA-N 1 0 455.558 5.014 50 0 JKAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1csc(NC(=O)c2ccc(Cl)cc2Cl)n1 ZINC000040355766 569824034 /nfs/dbraw/zinc/82/40/34/569824034.db2.gz MCYFEBRMSIDHMQ-UHFFFAOYSA-N 1 0 489.428 5.097 50 0 JKAARO Clc1ccc(COc2ccc(Br)cc2C[NH2+]Cc2cccnc2)cc1Cl ZINC000040739761 569832845 /nfs/dbraw/zinc/83/28/45/569832845.db2.gz GEMGCFMORKUEJX-UHFFFAOYSA-N 1 0 452.179 6.020 50 0 JKAARO C[NH+](C)[C@@H](CNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1)c1ccco1 ZINC000041098016 569837743 /nfs/dbraw/zinc/83/77/43/569837743.db2.gz OQOAWOZDYJYZPC-QFIPXVFZSA-N 1 0 457.965 6.049 50 0 JKAARO COc1ccc(-c2csc3ncnc(NCCC[N@@H+]4CCN(c5cccc(C)c5)[C@H](C)C4)c23)cc1 ZINC000103837298 569838359 /nfs/dbraw/zinc/83/83/59/569838359.db2.gz OUIPRFGHLBINJG-OAQYLSRUSA-N 1 0 487.673 5.688 50 0 JKAARO COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2c3ccc(C)cc3[C@@H]3C[N@@H+](C)CC[C@H]32)cc1 ZINC000104167433 569842388 /nfs/dbraw/zinc/84/23/88/569842388.db2.gz CCVGPSSIPPYTFZ-LBNVMWSVSA-N 1 0 478.596 5.304 50 0 JKAARO O[C@H](Cc1ccccc1)C[N@@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104982673 569847999 /nfs/dbraw/zinc/84/79/99/569847999.db2.gz PBULCHJEXISDOL-JWQCQUIFSA-N 1 0 452.957 5.078 50 0 JKAARO O=C(NCc1ccccc1F)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccccc2)CC1 ZINC000049535957 569848227 /nfs/dbraw/zinc/84/82/27/569848227.db2.gz USNQJVXEUJCOQK-UHFFFAOYSA-N 1 0 455.577 5.357 50 0 JKAARO CSc1ccccc1C[NH+]1CCC(CNC(=O)c2c(C)onc2-c2ccccc2Cl)CC1 ZINC000049523442 569848307 /nfs/dbraw/zinc/84/83/07/569848307.db2.gz QJHCIDCFZABKIF-UHFFFAOYSA-N 1 0 470.038 5.667 50 0 JKAARO O[C@@H](COc1ccccc1)C[N@@H+](Cc1ccccc1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000104983738 569848339 /nfs/dbraw/zinc/84/83/39/569848339.db2.gz ZOVLEOYLRJQEPK-FYYLOGMGSA-N 1 0 485.411 5.429 50 0 JKAARO O[C@H](COCc1ccccc1)C[N@@H+](Cc1cccc(F)c1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104984383 569848522 /nfs/dbraw/zinc/84/85/22/569848522.db2.gz FJQSLRIQSZZVLE-IZZNHLLZSA-N 1 0 482.983 5.052 50 0 JKAARO O[C@@H](COCc1ccccc1)C[N@@H+](Cc1cccc(F)c1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104984388 569848567 /nfs/dbraw/zinc/84/85/67/569848567.db2.gz FJQSLRIQSZZVLE-CLJLJLNGSA-N 1 0 482.983 5.052 50 0 JKAARO O[C@@H](COCc1ccco1)C[N@@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104985070 569848668 /nfs/dbraw/zinc/84/86/68/569848668.db2.gz JFRHLXCIJCHXCV-ISKFKSNPSA-N 1 0 489.399 5.159 50 0 JKAARO COc1cccc(C[N@H+](C[C@H](O)COc2ccccc2C)C[C@H]2CC(c3ccc(Cl)cc3)=NO2)c1 ZINC000104984700 569848779 /nfs/dbraw/zinc/84/87/79/569848779.db2.gz JNOZFAKXYZWQKI-AZGAKELHSA-N 1 0 495.019 5.092 50 0 JKAARO CCC[C@@H](O)C[N@H+](CCC)CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C(C)C)cc1 ZINC000105002726 569849217 /nfs/dbraw/zinc/84/92/17/569849217.db2.gz JTWZXYGGMYKXJE-RCZVLFRGSA-N 1 0 472.695 5.249 50 0 JKAARO CCOC[C@H](O)C[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1)[C@H](C)CC ZINC000105006883 569849950 /nfs/dbraw/zinc/84/99/50/569849950.db2.gz JWLNMDNBMHROPI-FYYLOGMGSA-N 1 0 451.611 5.225 50 0 JKAARO CCOC[C@@H](O)C[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1)[C@H](C)CC ZINC000105006885 569850006 /nfs/dbraw/zinc/85/00/06/569850006.db2.gz JWLNMDNBMHROPI-GGAORHGYSA-N 1 0 451.611 5.225 50 0 JKAARO CCOC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)[C@H](C)CC ZINC000105007992 569850049 /nfs/dbraw/zinc/85/00/49/569850049.db2.gz LEPSVFLGUWXHOD-AUSIDOKSSA-N 1 0 455.574 5.110 50 0 JKAARO CCOC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)[C@H](C)CC ZINC000105011432 569850832 /nfs/dbraw/zinc/85/08/32/569850832.db2.gz WHASPQWBTNRBQN-AUSIDOKSSA-N 1 0 455.574 5.110 50 0 JKAARO COc1cccc([C@@H]2C[N@H+](Cc3cccc(C(F)(F)F)c3)C[C@@H]2CN(CC(C)C)C(=O)C(C)C)c1 ZINC000105018863 569851129 /nfs/dbraw/zinc/85/11/29/569851129.db2.gz BTIYYAQGWGXZCH-BVAGGSTKSA-N 1 0 490.610 6.070 50 0 JKAARO COc1cccc([C@H]2C[N@H+](Cc3ccc(C)cc3)C[C@@H]2CN(CC(C)C)C(=O)c2ccc(F)cc2)c1 ZINC000105019180 569851247 /nfs/dbraw/zinc/85/12/47/569851247.db2.gz NWOCSYSKBPMBNH-POURPWNDSA-N 1 0 488.647 6.157 50 0 JKAARO Cc1ccccc1[C@H]1C[N@H+](Cc2cccnc2)C[C@H]1CN(C(=O)c1ccccc1)C1CCCCC1 ZINC000105041331 569851628 /nfs/dbraw/zinc/85/16/28/569851628.db2.gz NGKIODOQWSAFSG-FIBWVYCGSA-N 1 0 467.657 6.081 50 0 JKAARO Cc1ccccc1[C@H]1C[N@H+](Cc2cccs2)C[C@H]1CN(C(=O)c1ccccc1)C1CCCCC1 ZINC000105042070 569851675 /nfs/dbraw/zinc/85/16/75/569851675.db2.gz VUGQTLDSYHGAFJ-SVEHJYQDSA-N 1 0 472.698 6.747 50 0 JKAARO Cc1ccc(C[N@H+]2C[C@@H](CN(CC(C)C)C(=O)c3ccccc3)[C@@H](c3ccc(F)cc3)C2)s1 ZINC000105042500 569851842 /nfs/dbraw/zinc/85/18/42/569851842.db2.gz OKLDTVOHZCDFAM-RPLLCQBOSA-N 1 0 464.650 6.210 50 0 JKAARO Cc1ccc(C[N@@H+]2C[C@@H](CN3CCN(c4ccccc4)CC3)[C@@H](c3cccc(C(F)(F)F)c3)C2)o1 ZINC000105047126 569851871 /nfs/dbraw/zinc/85/18/71/569851871.db2.gz OQDYENVDNVDKFF-YIXXDRMTSA-N 1 0 483.578 5.645 50 0 JKAARO COc1cc(C[N@@H+]2C[C@@H](CN(C(=O)C(C)C)C(C)C)[C@H](c3ccc(C)cc3)C2)cc(OC)c1 ZINC000105050761 569852519 /nfs/dbraw/zinc/85/25/19/569852519.db2.gz ZIYWPDNBALTJNA-IGKIAQTJSA-N 1 0 452.639 5.121 50 0 JKAARO COc1ccc([C@@H]2C=C(c3ccccc3)S[C@]3(SC[C@@H]4C[NH+]=C(N)S4)CCCC[C@@H]23)cc1 ZINC000169617493 569868357 /nfs/dbraw/zinc/86/83/57/569868357.db2.gz OWNRYRHRVALGOO-TUGCOKMYSA-N 1 0 482.740 6.617 50 0 JKAARO O=C(Nc1ccc(C(=O)OC[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1)c1cccc(Br)c1 ZINC000169619834 569868398 /nfs/dbraw/zinc/86/83/98/569868398.db2.gz VCPJOSLAPPPDGI-KNQAVFIVSA-N 1 0 471.395 5.123 50 0 JKAARO COc1ccc(NC(=O)[C@H]2Cc3cc(C(F)(F)F)ccc3N3CC[N@@H+](C4CCCCC4)C[C@@H]23)cc1 ZINC000169677547 569868743 /nfs/dbraw/zinc/86/87/43/569868743.db2.gz ZBSIKRFCXQUJCR-ZCYQVOJMSA-N 1 0 487.566 5.348 50 0 JKAARO C[C@H](NC(=O)[C@H]1C[C@@H](c2ccc(F)cc2)C[N@H+](Cc2ccccc2Cl)C1)c1ccccc1 ZINC000169677626 569868841 /nfs/dbraw/zinc/86/88/41/569868841.db2.gz OEISLAFLCLOQEP-IEXUWNMDSA-N 1 0 450.985 5.962 50 0 JKAARO O=C(Nc1ccc(F)cc1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](C3CCCC3)C[C@@H]12 ZINC000169677754 569868854 /nfs/dbraw/zinc/86/88/54/569868854.db2.gz PCTUIEORURJKFZ-GGAORHGYSA-N 1 0 461.503 5.089 50 0 JKAARO O=C(Nc1ccc(F)cc1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](C3CCCC3)C[C@@H]12 ZINC000169677755 569868956 /nfs/dbraw/zinc/86/89/56/569868956.db2.gz PCTUIEORURJKFZ-GMAHTHKFSA-N 1 0 461.503 5.089 50 0 JKAARO CCOC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)[C@@H](C)CC ZINC000169677875 569869071 /nfs/dbraw/zinc/86/90/71/569869071.db2.gz LEPSVFLGUWXHOD-WMZHIEFXSA-N 1 0 455.574 5.110 50 0 JKAARO Cc1ccc([C@@H]2c3ccsc3CCN2CC(=O)N2CCN(C(=O)CCC3CCCC3)[C@@H](C)C2)cc1 ZINC000169678896 569869255 /nfs/dbraw/zinc/86/92/55/569869255.db2.gz GKXVODVNFXJNHU-PZGXJGMVSA-N 1 0 493.717 5.034 50 0 JKAARO CC[C@@H](C)[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@@H](O)COC(C)C ZINC000169678920 569869358 /nfs/dbraw/zinc/86/93/58/569869358.db2.gz KQYJAQZLNOMSBI-FYYLOGMGSA-N 1 0 451.611 5.266 50 0 JKAARO CC[C@@H](C)[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@@H](O)COC(C)C ZINC000169679083 569869555 /nfs/dbraw/zinc/86/95/55/569869555.db2.gz WXIPNPZQGLYDIU-HYBUGGRVSA-N 1 0 469.601 5.499 50 0 JKAARO CC(=O)N(Cc1ccc(F)cc1)C[C@@H]1C[N@H+](Cc2ccc3c(c2)OCO3)C[C@@H]1c1ccc(C)cc1 ZINC000169679796 569869982 /nfs/dbraw/zinc/86/99/82/569869982.db2.gz NNGNDUXUPSVJRF-AHKZPQOWSA-N 1 0 474.576 5.127 50 0 JKAARO COc1ccc(C[N@@H+]2C[C@@H](CN(Cc3ccc(F)cc3)C(C)=O)[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000169679797 569869984 /nfs/dbraw/zinc/86/99/84/569869984.db2.gz ICLOPCRSKOTYNV-LITSAYRRSA-N 1 0 460.593 5.407 50 0 JKAARO COc1cccc([C@@H]2C[N@H+](Cc3ccsc3)C[C@@H]2CN(CC(C)C)C(=O)c2ccc(F)cc2)c1 ZINC000169679821 569869994 /nfs/dbraw/zinc/86/99/94/569869994.db2.gz FTUPNUGTVZLNJF-SQHAQQRYSA-N 1 0 480.649 5.910 50 0 JKAARO Cc1ccsc1C[N@H+]1C[C@@H](CN(Cc2cccnc2)C(=O)C(C)C)[C@@H](c2ccc(C)cc2)C1 ZINC000169679924 569870083 /nfs/dbraw/zinc/87/00/83/569870083.db2.gz LITXWRAVGXORIW-IZZNHLLZSA-N 1 0 461.675 5.660 50 0 JKAARO CC[C@@H](C)[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C[C@@H](O)COC(C)(C)C ZINC000169680610 569870568 /nfs/dbraw/zinc/87/05/68/569870568.db2.gz BSGUTWPMMGAERR-ZJSXRUAMSA-N 1 0 495.664 5.758 50 0 JKAARO CC[C@H](C)[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C[C@@H](O)COCC(C)C ZINC000169680609 569870593 /nfs/dbraw/zinc/87/05/93/569870593.db2.gz PNSFRKJRAJXYBE-WIOPSUGQSA-N 1 0 495.664 5.616 50 0 JKAARO CC[C@H](C)[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C[C@@H](O)COC(C)C ZINC000169680604 569870624 /nfs/dbraw/zinc/87/06/24/569870624.db2.gz HAZHDLFDAJMUBC-GBXCKJPGSA-N 1 0 469.601 5.499 50 0 JKAARO CC[C@H](C)[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C[C@@H](O)COC(C)C ZINC000169680960 569870736 /nfs/dbraw/zinc/87/07/36/569870736.db2.gz IXTRLJCWBXASNP-XUZZJYLKSA-N 1 0 481.637 5.368 50 0 JKAARO CC[C@@H](C)[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C[C@@H](O)COC(C)(C)C ZINC000169680963 569870757 /nfs/dbraw/zinc/87/07/57/569870757.db2.gz NSKUQSCGBBGNDV-ZJSXRUAMSA-N 1 0 495.664 5.758 50 0 JKAARO CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCCC[N@H+]2[C@H](C)CCC[C@@H]2C)[C@@H]1c1cccs1 ZINC000169782401 569872550 /nfs/dbraw/zinc/87/25/50/569872550.db2.gz VNPJLIZEBJPZKS-PJTSNVSCSA-N 1 0 481.706 5.454 50 0 JKAARO Cc1oc2c(cc3c(C)c(CCC(=O)NC[C@H]4CCC[N@@H+]5CCCC[C@@H]45)c(=O)oc3c2C)c1C ZINC000170613379 569872867 /nfs/dbraw/zinc/87/28/67/569872867.db2.gz CRQJLYHMKYQRQL-YKSBVNFPSA-N 1 0 464.606 5.086 50 0 JKAARO Cc1c2cc3c(cc2oc(=O)c1CC(=O)NC[C@H]1CCC[N@@H+]2CCCC[C@@H]12)occ3C(C)(C)C ZINC000170613392 569872896 /nfs/dbraw/zinc/87/28/96/569872896.db2.gz XZPWPQUJWAGMDW-JPYJTQIMSA-N 1 0 464.606 5.068 50 0 JKAARO Cc1c2occ(-c3ccccc3)c2cc2c(C)c(CC(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)c(=O)oc12 ZINC000170613437 569872925 /nfs/dbraw/zinc/87/29/25/569872925.db2.gz WPEHEVJHESFRGZ-CUNXSJBXSA-N 1 0 498.623 5.746 50 0 JKAARO COc1ccc([C@H](CC(=O)c2ccc(Br)cc2)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000226758390 570038385 /nfs/dbraw/zinc/03/83/85/570038385.db2.gz SCMIJOJMKPHWJF-DEOSSOPVSA-N 1 0 450.376 5.830 50 0 JKAARO C[C@@H]1CCC[N@H+](CCCNC(=O)[C@H]2c3ccccc3C(=O)N(C3CCCC3)[C@H]2c2cccs2)C1 ZINC000230077445 570044595 /nfs/dbraw/zinc/04/45/95/570044595.db2.gz DEQKDFCJTIUWLK-BQQUOAEZSA-N 1 0 479.690 5.210 50 0 JKAARO Cc1ccccc1[C@H]1C[N@@H+](Cc2ccc(Cl)cc2)C[C@H]1CN(C(=O)c1ccccc1)C(C)C ZINC000230155062 570045882 /nfs/dbraw/zinc/04/58/82/570045882.db2.gz XKJBOOBHGDFFRS-LSYYVWMOSA-N 1 0 461.049 6.415 50 0 JKAARO Cc1ccc(C[N@@H+]2C[C@@H](CN(C(=O)c3ccc(F)cc3)C3CCCCC3)[C@H](c3ccccc3C)C2)o1 ZINC000230155427 570045935 /nfs/dbraw/zinc/04/59/35/570045935.db2.gz YPOFKLQJXBUPHX-SETSBSEESA-N 1 0 488.647 6.726 50 0 JKAARO CC1=NN(c2ccc(C)cc2)C(=O)[C@@]12Cc1ccc(Cl)cc1N1CC[N@H+](Cc3ccccc3)C[C@H]12 ZINC000230156974 570046105 /nfs/dbraw/zinc/04/61/05/570046105.db2.gz MIEOGAKZEZQIJG-YTMVLYRLSA-N 1 0 485.031 5.304 50 0 biogenic JKAARO NC1=[NH+]C[C@H](CS[C@]23CCCC[C@H]2[C@H](c2ccccc2)C=C(c2ccccc2)S3)S1 ZINC000239328943 570050763 /nfs/dbraw/zinc/05/07/63/570050763.db2.gz JWDPJXKKWLZBTK-KXEAFHOWSA-N 1 0 452.714 6.608 50 0 JKAARO CN(C(=O)c1ccc(Cl)cc1)[C@H]1CC[C@H](c2ccc(NC(=O)[C@@H]3C[C@@H]4CCCC[N@@H+]4C3)cc2)CC1 ZINC000239761230 570052705 /nfs/dbraw/zinc/05/27/05/570052705.db2.gz CJFCBDMYNMAAQG-RXDRQECZSA-N 1 0 494.079 5.951 50 0 JKAARO CN(C(=O)c1ccc(Cl)cc1)[C@H]1CC[C@H](c2ccc(NC(=O)[C@@H]3C[C@H]4CCCC[N@@H+]4C3)cc2)CC1 ZINC000239761024 570052769 /nfs/dbraw/zinc/05/27/69/570052769.db2.gz CJFCBDMYNMAAQG-LFKDDQTCSA-N 1 0 494.079 5.951 50 0 JKAARO CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2C(=O)c2sc3ccccc3c2Cl)CC1 ZINC000241121813 570053032 /nfs/dbraw/zinc/05/30/32/570053032.db2.gz JEBMSSKARJGRIT-WMQCIHAUSA-N 1 0 488.097 5.271 50 0 JKAARO Cc1cccc(C)c1C(=O)N1CCC([N@H+]2CCN(c3ncc(C(F)(F)F)cc3Cl)[C@H](C)C2)CC1 ZINC000244986104 570054395 /nfs/dbraw/zinc/05/43/95/570054395.db2.gz JGFLECXFWFTLKV-GOSISDBHSA-N 1 0 494.989 5.186 50 0 JKAARO C[C@H]1CCCC[N@@H+]1CCCN1C(=O)c2ccc(-c3ccco3)n2C[C@]1(C)C(=O)NC1CCCCCC1 ZINC000245228499 570055473 /nfs/dbraw/zinc/05/54/73/570055473.db2.gz BHYDECZKMVPXTJ-PZGXJGMVSA-N 1 0 494.680 5.066 50 0 JKAARO C[C@H]1CCCC[N@@H+]1CCCN1C(=O)c2cc3ccccc3n2C[C@]1(C)C(=O)NC1CCCCCCC1 ZINC000245228509 570055594 /nfs/dbraw/zinc/05/55/94/570055594.db2.gz DFEIGPYKUBWJKA-YUDQIZAISA-N 1 0 492.708 5.349 50 0 JKAARO C[C@@H]1CCC[C@@H](C)[NH+]1CCCN1C(=O)c2cc3occc3n2C[C@]1(C)C(=O)NC1CCCCCCC1 ZINC000245234407 570056845 /nfs/dbraw/zinc/05/68/45/570056845.db2.gz AUUUCHCGFJPFFD-IEOSBIPESA-N 1 0 496.696 5.331 50 0 JKAARO CC[C@H]1CCCC[N@@H+]1CCCN1C(=O)c2cc3sccc3n2C[C@]1(C)C(=O)NC1CCCCC1 ZINC000245239514 570057880 /nfs/dbraw/zinc/05/78/80/570057880.db2.gz JWSSTHRYHWQYHS-KDYSTLNUSA-N 1 0 484.710 5.021 50 0 JKAARO CC[C@@H]1CCCC[N@@H+]1CCCN1C(=O)c2cc3sccc3n2C[C@]1(C)C(=O)NC1CCCCC1 ZINC000245239513 570057886 /nfs/dbraw/zinc/05/78/86/570057886.db2.gz JWSSTHRYHWQYHS-JIPXPUAJSA-N 1 0 484.710 5.021 50 0 JKAARO CC[C@H]1CCCC[N@@H+]1CCCN1C(=O)c2cc3sccc3n2C[C@]1(C)C(=O)NC1CCCCCC1 ZINC000245241271 570058429 /nfs/dbraw/zinc/05/84/29/570058429.db2.gz ZTUJHODJTRLSFY-RBISFHTESA-N 1 0 498.737 5.411 50 0 JKAARO CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@H]2[C@@H]2c3ccccc3C=CN21 ZINC000245309740 570062968 /nfs/dbraw/zinc/06/29/68/570062968.db2.gz FVNNIZBJYDGJKY-CGXNFDGLSA-N 1 0 469.368 5.124 50 0 JKAARO CC[C@H](C)[N@H+](CCNC(=O)[C@H]1CCCN(c2nc3c(cc(C)cc3C)s2)C1)C1CCCCC1 ZINC000245311922 570063556 /nfs/dbraw/zinc/06/35/56/570063556.db2.gz QQYBNTUZNUHRSS-VXKWHMMOSA-N 1 0 470.727 5.679 50 0 JKAARO CCCC[C@H](O)CN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C[C@H]1CCCO1 ZINC000245327046 570065060 /nfs/dbraw/zinc/06/50/60/570065060.db2.gz HZVGACBHFBDLMR-AZGAKELHSA-N 1 0 495.639 5.898 50 0 JKAARO Cc1ccsc1C[N@H+]1C[C@@H](CN(Cc2cccnc2)C(=O)C(C)C)[C@H](c2ccc(C)cc2)C1 ZINC000245327917 570065486 /nfs/dbraw/zinc/06/54/86/570065486.db2.gz LITXWRAVGXORIW-UIOOFZCWSA-N 1 0 461.675 5.660 50 0 JKAARO O=C(c1ccccc1)N(C[C@@H]1C[N@@H+](Cc2ccco2)C[C@H]1c1cccc(F)c1)C1CCCCC1 ZINC000245328338 570065724 /nfs/dbraw/zinc/06/57/24/570065724.db2.gz NLHHWGCMZAFCKX-CUBQBAPOSA-N 1 0 460.593 6.109 50 0 JKAARO C[C@@H]1CN(C(=O)CC[N@@H+]2CCc3sccc3[C@H]2c2ccccc2)CCN1C(=O)CCC1CCCC1 ZINC000245328440 570065847 /nfs/dbraw/zinc/06/58/47/570065847.db2.gz ONCAQLJPQJDOJT-KPURRNSFSA-N 1 0 493.717 5.115 50 0 JKAARO CCc1cccc2c([C@@H](CC(=O)NCCC[N@@H+]3CCCC[C@H]3C)c3cccc(OC)c3)c[nH]c21 ZINC000245329293 570066354 /nfs/dbraw/zinc/06/63/54/570066354.db2.gz STMRDAIUTZRKPM-RLWLMLJZSA-N 1 0 461.650 5.642 50 0 JKAARO CCCC[C@H](CC)C(=O)N1CCN(C(=O)CC[N@@H+]2CCc3sccc3[C@H]2c2ccccc2)C[C@@H]1C ZINC000245329615 570066380 /nfs/dbraw/zinc/06/63/80/570066380.db2.gz UCTSYTFDLKIFMS-UXWDXCIHSA-N 1 0 495.733 5.361 50 0 JKAARO CCc1cccc2c([C@@H](CC(=O)NCCC[N@@H+]3CCCC[C@H]3C)c3ccc(Cl)cc3)c[nH]c21 ZINC000245330057 570066590 /nfs/dbraw/zinc/06/65/90/570066590.db2.gz WUIGXMGIOVTSLX-NLFFAJNJSA-N 1 0 466.069 6.286 50 0 JKAARO C[C@@H](c1ccccc1)N(Cc1nc(C(=O)NC[C@H]2CCCO2)co1)Cc1cccc(C(F)(F)F)c1 ZINC000245330628 570066930 /nfs/dbraw/zinc/06/69/30/570066930.db2.gz ZQELLRRCSZWSJP-PGRDOPGGSA-N 1 0 487.522 5.366 50 0 JKAARO CC(C)N(C[C@@H]1C[N@H+](Cc2cccs2)C[C@H]1c1ccc(F)cc1)C(=O)c1ccc(F)cc1 ZINC000247968863 570071864 /nfs/dbraw/zinc/07/18/64/570071864.db2.gz CJAYYLNTBKKYIU-OFVILXPXSA-N 1 0 454.586 5.793 50 0 JKAARO Cc1ccccc1[C@@H]1C[N@H+](Cc2ccco2)C[C@H]1CN(C(=O)c1ccccc1)C1CCCCC1 ZINC000248049989 570073267 /nfs/dbraw/zinc/07/32/67/570073267.db2.gz ADDHYRFDVZGMRR-ABYGYWHVSA-N 1 0 456.630 6.279 50 0 JKAARO Cc1ccccc1[C@@H]1C[N@H+](Cc2cccnc2)C[C@H]1CN(C(=O)c1ccccc1)C1CCCCC1 ZINC000248093492 570073890 /nfs/dbraw/zinc/07/38/90/570073890.db2.gz NGKIODOQWSAFSG-BHBYDHKZSA-N 1 0 467.657 6.081 50 0 JKAARO CC(C)CN(C[C@@H]1C[N@H+](Cc2ccc(F)cc2)C[C@H]1c1ccc(F)cc1)C(=O)c1ccccc1 ZINC000248249904 570076724 /nfs/dbraw/zinc/07/67/24/570076724.db2.gz RYFZSHRMILLWDS-LSYYVWMOSA-N 1 0 462.584 5.979 50 0 JKAARO COc1cccc([C@@H]2C[N@H+](Cc3ccc(Cl)cc3)C[C@H]2CN(CC(C)C)C(=O)C(C)C)c1 ZINC000248249850 570076780 /nfs/dbraw/zinc/07/67/80/570076780.db2.gz OQZHOFIAJOWLSA-OZXSUGGESA-N 1 0 457.058 5.705 50 0 JKAARO CC(C)CN(C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2)C[C@H]1c1ccccc1)C(=O)c1ccccc1F ZINC000248262884 570077086 /nfs/dbraw/zinc/07/70/86/570077086.db2.gz WUTABGFAVRNUOA-IGKIAQTJSA-N 1 0 479.039 6.493 50 0 JKAARO COc1ccccc1-c1nn(CN2CC[C@H]3CCCC[C@H]3C2)c(=S)n1-c1ccc(Cl)cc1 ZINC000252445413 570080896 /nfs/dbraw/zinc/08/08/96/570080896.db2.gz RYGPSBWTFCLKHW-MOPGFXCFSA-N 1 0 469.054 6.202 50 0 JKAARO CCC[NH+](CCC)CCCOc1ccc([C@H]2CC[C@H](N(C)C(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000252512563 570082614 /nfs/dbraw/zinc/08/26/14/570082614.db2.gz SHYWOYJOARYYQG-JIBACQESSA-N 1 0 485.112 7.029 50 0 JKAARO COc1ccc(C2=C(Oc3ccc(OCC[NH+]4CCCC4)cc3)c3ccc(OC)cc3[S@]2=O)cc1 ZINC000252605310 570085471 /nfs/dbraw/zinc/08/54/71/570085471.db2.gz GHWFWWGMJKMPQB-PGUFJCEWSA-N 1 0 491.609 5.204 50 0 JKAARO c1ccc(C[N@H+]2[C@H](c3ccccc3)C(c3ccccc3)(c3ccccc3)S[C@H]2c2ccccc2)cc1 ZINC000252620189 570087202 /nfs/dbraw/zinc/08/72/02/570087202.db2.gz LZBMMFQTIDLMFA-SAIUNTKASA-N 1 0 483.680 8.619 50 0 JKAARO CCCCCCc1c(C)c2ccc(OCC(=O)N(C)C[C@@H]3CCC[N@@H+]4CCCC[C@H]34)c(C)c2oc1=O ZINC000253406469 570097242 /nfs/dbraw/zinc/09/72/42/570097242.db2.gz IYOZHHHBIFVEOC-JYFHCDHNSA-N 1 0 496.692 5.634 50 0 biogenic JKAARO CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](C[C@@H]5O[C@]6(CC[C@@H](C)C[NH2+]6)[C@@H](C)[C@@H]54)[C@@H]3CC[C@H]2C1 ZINC000253498668 570100616 /nfs/dbraw/zinc/10/06/16/570100616.db2.gz JOQMJOQWYFDNSH-UJAIGCHNSA-N 1 0 457.699 5.938 50 0 biogenic JKAARO C[C@H]1C[C@H](C)C[NH+](CCC(=O)O[C@@H]2CC[C@@H]3[C@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@@H]4CC[C@]23C)C1 ZINC000253502259 570102603 /nfs/dbraw/zinc/10/26/03/570102603.db2.gz UZYZRISMGTUDCJ-XOBDKAEASA-N 1 0 457.699 5.878 50 0 JKAARO CC(=O)[C@@H]1[C@H](C)C[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)CC[NH+]5C[C@H](C)C[C@@H](C)C5)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000253505673 570102678 /nfs/dbraw/zinc/10/26/78/570102678.db2.gz LLKWFOGYGSHBRH-JZJAPMPJSA-N 1 0 497.764 6.680 50 0 biogenic JKAARO CC(=O)[C@@H]1[C@H](C)C[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CC[NH+]5CCCCC5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000253504333 570102688 /nfs/dbraw/zinc/10/26/88/570102688.db2.gz ZMZSWQGXOQDHQU-NZFCJIPRSA-N 1 0 469.710 6.188 50 0 biogenic JKAARO CCC(=O)N(CC[C@]1(Cc2ccccc2)C[C@@H](C)[N@H+](C)C[C@H]1C)Cc1ccc(OC)c(OC)c1 ZINC000253612155 570104729 /nfs/dbraw/zinc/10/47/29/570104729.db2.gz CVVMLEFCKQGMAH-VDWGHMIBSA-N 1 0 466.666 5.422 50 0 JKAARO O=C(c1ccccn1)N1CCC[C@H](COc2ccc(C[NH+]3CCC(c4ccccc4)CC3)cc2)C1 ZINC000299762450 570174888 /nfs/dbraw/zinc/17/48/88/570174888.db2.gz WTGQCSARHXDTPL-VWLOTQADSA-N 1 0 469.629 5.392 50 0 JKAARO O=C(COc1ccc(-c2ncccn2)cc1C[NH+]1CCCCCC1)NCc1cccc2ccccc21 ZINC000299764262 570175071 /nfs/dbraw/zinc/17/50/71/570175071.db2.gz SLFOUOOGFAJMGG-UHFFFAOYSA-N 1 0 480.612 5.368 50 0 JKAARO COc1cc(C[NH2+]Cc2cc3ccc(Cl)cc3nc2-c2ccsc2)cc(OC)c1OC ZINC000299766602 570175290 /nfs/dbraw/zinc/17/52/90/570175290.db2.gz QXORALXQNKKQPH-UHFFFAOYSA-N 1 0 454.979 5.932 50 0 JKAARO Cc1nc2n(CC[NH+]3CCCCC3)c3ccccc3n2c1C(=O)c1ccc(Br)s1 ZINC000001194205 194066708 /nfs/dbraw/zinc/06/67/08/194066708.db2.gz DGWKBDIWCWSSCA-UHFFFAOYSA-N 1 0 471.424 5.138 50 0 JKAARO Cc1ccc(S(=O)(=O)C[n+]2sc(N(c3ccccc3)c3ccccc3)nc2-c2ccccc2)cc1 ZINC000001775168 194137846 /nfs/dbraw/zinc/13/78/46/194137846.db2.gz GSSKDXJJTYTWKZ-UHFFFAOYSA-N 1 0 498.653 6.307 50 0 JKAARO CC12CN(Cc3ccc(Br)cc3)CC(C)(C[NH+](Cc3ccc(Br)cc3)C1)C2 ZINC000001788191 194140702 /nfs/dbraw/zinc/14/07/02/194140702.db2.gz HHRVGZOFJQOMLV-UHFFFAOYSA-N 1 0 492.299 5.946 50 0 JKAARO COc1cc(C)c2c(n1)c(N[C@H](C)CCC[NH3+])cc(OC)c2Oc1cccc(C(F)(F)F)c1 ZINC000001888486 194152526 /nfs/dbraw/zinc/15/25/26/194152526.db2.gz LBHLFPGPEGDCJG-OAHLLOKOSA-N 1 0 463.500 5.911 50 0 investigational JKAARO O[C@]1(c2ccc(-c3ccccc3)cc2)CN2CCCCCC2=[N+]1c1ccc(Br)cc1 ZINC000001909508 194155047 /nfs/dbraw/zinc/15/50/47/194155047.db2.gz JOCHDGGCUMGWTG-SANMLTNESA-N 1 0 462.411 5.766 50 0 JKAARO CCOc1ccccc1C[N@H+](CCc1ccc2c(c1)OCO2)Cc1ccc(OC)c(OC)c1OC ZINC000002919355 194169478 /nfs/dbraw/zinc/16/94/78/194169478.db2.gz RBWOSEQEAWMSNF-UHFFFAOYSA-N 1 0 479.573 5.085 50 0 JKAARO Cc1ccc(NC(=O)C2CC[NH+](Cc3cnn(-c4ccccc4)c3-n3cccc3)CC2)cc1C ZINC000002960453 194181314 /nfs/dbraw/zinc/18/13/14/194181314.db2.gz QYLINAXUPNWNPP-UHFFFAOYSA-N 1 0 453.590 5.131 50 0 JKAARO O=C(Nc1c(F)c(F)cc(F)c1F)C1CC[NH+](Cc2cnn(-c3ccccc3)c2-n2cccc2)CC1 ZINC000002960480 194181723 /nfs/dbraw/zinc/18/17/23/194181723.db2.gz ZEJPPBVRHXPULZ-UHFFFAOYSA-N 1 0 497.496 5.070 50 0 JKAARO O=c1c2sc3ccccc3c2nc(SCc2ccccc2F)n1CCC[NH+]1CCCC1 ZINC000002962000 194182276 /nfs/dbraw/zinc/18/22/76/194182276.db2.gz FRFRMBIVEVEWLV-UHFFFAOYSA-N 1 0 453.608 5.529 50 0 JKAARO O[C@@H](Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21)C[NH+](C1CCCCC1)C1CCCCC1 ZINC000002968248 194186283 /nfs/dbraw/zinc/18/62/83/194186283.db2.gz SONAJUSNYFELMA-HSZRJFAPSA-N 1 0 473.488 7.430 50 0 JKAARO CC[NH+](CC)CCCN(Cc1c[nH]c2ccccc12)C(=S)Nc1ccc(OC)c(Cl)c1 ZINC000003029492 194212389 /nfs/dbraw/zinc/21/23/89/194212389.db2.gz MZHNEXMVRMGSMF-UHFFFAOYSA-N 1 0 459.059 5.761 50 0 JKAARO CC[NH+](CC)CCCN(Cc1c[nH]c2ccccc12)C(=S)Nc1cccc(C(F)(F)F)c1 ZINC000003029500 194212418 /nfs/dbraw/zinc/21/24/18/194212418.db2.gz BHJUMVDWPLYYKZ-UHFFFAOYSA-N 1 0 462.585 6.118 50 0 JKAARO CC(C)C[NH+](CCCNC(=O)c1ccc2c(c1)N(Cc1ccccc1)C(=O)CS2)CC(C)C ZINC000003040600 194215214 /nfs/dbraw/zinc/21/52/14/194215214.db2.gz VVJZGGZFAVMXED-UHFFFAOYSA-N 1 0 467.679 5.059 50 0 JKAARO CC(C)c1ccc(Nc2cc(C(=O)NCCC[N@H+](C)Cc3ccccc3)c3ccccc3n2)cc1 ZINC000003058153 194221709 /nfs/dbraw/zinc/22/17/09/194221709.db2.gz BSXIZHLPFVZOHB-UHFFFAOYSA-N 1 0 466.629 6.354 50 0 JKAARO CC(C)C[NH+](CCCNC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1)S2)CC(C)C ZINC000003063918 194222953 /nfs/dbraw/zinc/22/29/53/194222953.db2.gz NGHLHLCIEAJALD-MYYYXRDXSA-N 1 0 465.663 5.506 50 0 JKAARO CC(C)[N@H+](CCCNC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1)S2)Cc1ccccc1 ZINC000003064142 194223323 /nfs/dbraw/zinc/22/33/23/194223323.db2.gz DOGBFPNOFSDENJ-IMRQLAEWSA-N 1 0 485.653 5.802 50 0 JKAARO CC(=O)Nc1cc(C(=O)NCC[N@@H+](C)Cc2ccccc2)ccc1Sc1ccc(Cl)cc1 ZINC000003048915 194218135 /nfs/dbraw/zinc/21/81/35/194218135.db2.gz DKQKCSLGEWXUAZ-UHFFFAOYSA-N 1 0 468.022 5.311 50 0 JKAARO CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)c2cc(-c3ccco3)nc3ccccc32)cc1 ZINC000003254737 194252840 /nfs/dbraw/zinc/25/28/40/194252840.db2.gz FKTXFPWFLXLXRG-UHFFFAOYSA-N 1 0 457.530 5.246 50 0 JKAARO Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)N[C@@H](C)[C@H](c3cccs3)[NH+]3CCCC3)cc12 ZINC000003265092 194256314 /nfs/dbraw/zinc/25/63/14/194256314.db2.gz MOBKIYYHKOUDGL-KSFYIVLOSA-N 1 0 485.078 6.066 50 0 JKAARO Cc1nn(-c2ccccc2Cl)c2sc(C(=O)N[C@@H](C)[C@@H](c3cccs3)[NH+]3CCCC3)cc12 ZINC000003265071 194256321 /nfs/dbraw/zinc/25/63/21/194256321.db2.gz QRDDWUOPKONADD-AOMKIAJQSA-N 1 0 485.078 6.066 50 0 JKAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)/C(=C/c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000003287311 194265428 /nfs/dbraw/zinc/26/54/28/194265428.db2.gz UKENGNMTXGKIDG-QWJDJTSBSA-N 1 0 460.980 6.163 50 0 JKAARO CC[C@H]1CSc2n1cc(-c1cc(C)n(CCc3ccc(OC)cc3)c1C)[n+]2-c1ccccc1C ZINC000003289573 194266335 /nfs/dbraw/zinc/26/63/35/194266335.db2.gz CBUXOHJBOFHJOK-DEOSSOPVSA-N 1 0 472.678 6.467 50 0 JKAARO O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]([NH2+]CCC(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000003327993 194284064 /nfs/dbraw/zinc/28/40/64/194284064.db2.gz ZFQWZBGTCUXDEG-NDEPHWFRSA-N 1 0 489.446 7.485 50 0 JKAARO CCCC[N@H+](CC)CCCNC(=O)c1ccc2c(c1)N(Cc1cc(C)ccc1C)C(=O)CS2 ZINC000003638737 194346659 /nfs/dbraw/zinc/34/66/59/194346659.db2.gz NASSTBRSKOCBSH-UHFFFAOYSA-N 1 0 467.679 5.184 50 0 JKAARO CCC[NH+](CCC)CCCNC(=O)c1ccc2c(c1)N(Cc1c(F)cccc1Cl)C(=O)CS2 ZINC000003645475 194348643 /nfs/dbraw/zinc/34/86/43/194348643.db2.gz HLKZTXZJVONWAC-UHFFFAOYSA-N 1 0 492.060 5.360 50 0 JKAARO COc1ccccc1Nc1c2cc(NC(=O)/C=C/c3ccccc3Cl)ccc2[nH+]c2c1CCCC2 ZINC000003646123 194348651 /nfs/dbraw/zinc/34/86/51/194348651.db2.gz UGBSEIGUBVNLCA-SAPNQHFASA-N 1 0 483.999 7.171 50 0 JKAARO CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC[C@H](O)C[NH2+][C@H](C)c3ccccc3)cc21 ZINC000003655849 194352858 /nfs/dbraw/zinc/35/28/58/194352858.db2.gz MUURBTVDBPJICR-PXDATVDWSA-N 1 0 486.612 5.515 50 0 JKAARO COCC(=O)O[C@]1(CC[N@H+](C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C ZINC000003782486 194361594 /nfs/dbraw/zinc/36/15/94/194361594.db2.gz HBNPJJILLOYFJU-VMPREFPWSA-N 1 0 495.639 5.271 50 0 investigational JKAARO COc1cc(-n2cnc3cc(-c4ccc(Cl)cc4)sc3c2=O)ccc1OCC[NH+]1CCCC1 ZINC000003815899 194361661 /nfs/dbraw/zinc/36/16/61/194361661.db2.gz MWULMTACIBZPGN-UHFFFAOYSA-N 1 0 482.005 5.251 50 0 in-vivo JKAARO CN1c2ccccc2C(C)(C)/C1=C\C=C1CCCC(/C=C\C2=[N+](C)c3ccccc3C2(C)C)=C1Cl ZINC000003845432 194364103 /nfs/dbraw/zinc/36/41/03/194364103.db2.gz GDIYMWAMJKRXRE-UHFFFAOYSA-N 1 0 484.107 8.164 50 0 JKAARO Cc1nc2sccn2c(=O)c1CC[NH+]1CCC(=C(c2ccccc2)c2ccc(F)cc2)CC1 ZINC000003872275 194365568 /nfs/dbraw/zinc/36/55/68/194365568.db2.gz MFVJXLPANKSLLD-UHFFFAOYSA-N 1 0 459.590 5.344 50 0 in-vitro JKAARO CCOC(=O)c1c(C)oc2c1c1c(c3ccccc23)OCN(C2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000004162688 194381728 /nfs/dbraw/zinc/38/17/28/194381728.db2.gz OTKKQLUFCGJIFZ-UHFFFAOYSA-N 1 0 450.579 5.532 50 0 JKAARO CCN(CCNC(=O)C1CC[NH+](Cc2nc(-c3ccc(Cl)cc3)oc2C)CC1)c1ccccc1 ZINC000004057113 194373190 /nfs/dbraw/zinc/37/31/90/194373190.db2.gz FPINGFDOQFIVJE-UHFFFAOYSA-N 1 0 481.040 5.158 50 0 JKAARO COc1cc(C[NH2+][C@@H](C)C23CC4CC(CC(C4)C2)C3)cc(Br)c1OCc1cccs1 ZINC000008443444 194449485 /nfs/dbraw/zinc/44/94/85/194449485.db2.gz AKAMZWXAZWATRK-DUXBZUBYSA-N 1 0 490.507 6.793 50 0 JKAARO O=C(NCCSCc1ccccc1Cl)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000008993740 194498765 /nfs/dbraw/zinc/49/87/65/194498765.db2.gz MPGVJKXWZFMCQP-UHFFFAOYSA-N 1 0 493.116 6.458 50 0 JKAARO Cc1c(C)n(Cc2ccc(Cl)cc2)c2ccc(C(=O)NCCC[NH+]3CCCCCC3)cc12 ZINC000009229120 194616835 /nfs/dbraw/zinc/61/68/35/194616835.db2.gz VJDXIXPAHWZGPH-UHFFFAOYSA-N 1 0 452.042 5.956 50 0 JKAARO CCC[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccccc3F)=NN12 ZINC000009307086 194678255 /nfs/dbraw/zinc/67/82/55/194678255.db2.gz FPWNSWGKKMQRKC-OAQYLSRUSA-N 1 0 458.375 5.334 50 0 JKAARO CC[NH+](CC)CCNc1nc(SC)nc2c1sc1nc(CC(C)C)c3c(c12)CC(C)(C)OC3 ZINC000009309536 194682156 /nfs/dbraw/zinc/68/21/56/194682156.db2.gz CBBOWSNHQAGMQW-UHFFFAOYSA-N 1 0 487.739 5.765 50 0 JKAARO COc1ccc2c(c1)[nH]c(C(=O)NCCC[NH+]1[C@@H](C)CCC[C@@H]1C)c2Sc1ccc(Cl)cc1 ZINC000009288664 194664192 /nfs/dbraw/zinc/66/41/92/194664192.db2.gz NYVIYABETYSBAF-ROUUACIJSA-N 1 0 486.081 6.364 50 0 JKAARO Cc1cc2c(-c3ccccc3)c(-c3ccccc3)n(C[C@@H](O)C[NH2+]C[C@H]3CCCO3)c2c(C)c1 ZINC000009601966 194804816 /nfs/dbraw/zinc/80/48/16/194804816.db2.gz GIZJJZDVTCIDDL-IZZNHLLZSA-N 1 0 454.614 5.722 50 0 JKAARO CCCC[N@H+](CCCNC(=O)c1cc(-c2cccs2)nc2ccccc21)Cc1ccccc1 ZINC000009598044 194797284 /nfs/dbraw/zinc/79/72/84/194797284.db2.gz NFXVLXOAZUCTAP-UHFFFAOYSA-N 1 0 457.643 6.386 50 0 JKAARO CC[NH+](CC)CCSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CCc1ccccc1-3 ZINC000009861062 195001928 /nfs/dbraw/zinc/00/19/28/195001928.db2.gz HCYFORHGGGWJON-UHFFFAOYSA-N 1 0 467.704 6.163 50 0 JKAARO COc1cc(C[N@@H+]2CCC[C@H](C(=O)N(C)Cc3ccccc3)C2)ccc1OCc1ccccc1 ZINC000009933453 195025245 /nfs/dbraw/zinc/02/52/45/195025245.db2.gz UHRNIJLAKBMBGU-SANMLTNESA-N 1 0 458.602 5.145 50 0 JKAARO COc1ccc(C[NH+]2CCC(N3CCN(c4ccccc4F)CC3)CC2)cc1OCc1ccccc1 ZINC000009933465 195025391 /nfs/dbraw/zinc/02/53/91/195025391.db2.gz JESHSWZVYLPEHT-UHFFFAOYSA-N 1 0 489.635 5.200 50 0 JKAARO CCCn1c(C[NH+]2CCCCCC2)nc2cc(NC(=O)c3cccc(Br)c3)ccc21 ZINC000009942446 195029894 /nfs/dbraw/zinc/02/98/94/195029894.db2.gz MKDBSPUIFWKGOR-UHFFFAOYSA-N 1 0 469.427 5.837 50 0 JKAARO Cc1ccc(CN2CCSc3ccc(C(=O)NCCC[N@H+]4C[C@H](C)C[C@H](C)C4)cc32)cc1 ZINC000009962529 195039655 /nfs/dbraw/zinc/03/96/55/195039655.db2.gz CJASFYMDBOXPNL-SZPZYZBQSA-N 1 0 451.680 5.205 50 0 JKAARO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H](CCCc2ccccc2)c2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000012667799 195081773 /nfs/dbraw/zinc/08/17/73/195081773.db2.gz HFKSPCKNAULQJS-CUNXSJBXSA-N 1 0 482.628 5.165 50 0 JKAARO COc1cccc(C[NH2+]Cc2cn(-c3ccc(F)cc3)nc2-c2ccccc2Cl)c1OC ZINC000012710236 195094422 /nfs/dbraw/zinc/09/44/22/195094422.db2.gz JFVDIVPRAGLFMQ-UHFFFAOYSA-N 1 0 451.929 5.639 50 0 JKAARO CCOC(=O)C1(Cc2cccc(C(F)(F)F)c2)CC[NH+](CC2=Cc3cc(OC)ccc3OC2)CC1 ZINC000012719106 195097467 /nfs/dbraw/zinc/09/74/67/195097467.db2.gz WLPSXCYAUDRSPT-UHFFFAOYSA-N 1 0 489.534 5.378 50 0 JKAARO CC[NH+](CC)CCCn1c(SCC(=O)Nc2c(Cl)cccc2Cl)nc2ccccc2c1=O ZINC000012779917 195123697 /nfs/dbraw/zinc/12/36/97/195123697.db2.gz XNQWPFROAFRJJQ-UHFFFAOYSA-N 1 0 493.460 5.166 50 0 JKAARO CCOC(=O)C[C@H](c1ccc(F)cc1)C1CC[NH+](Cc2nc(-c3ccccc3C)no2)CC1 ZINC000012854456 195156559 /nfs/dbraw/zinc/15/65/59/195156559.db2.gz KCWCBYNJBKFKGS-HSZRJFAPSA-N 1 0 451.542 5.133 50 0 JKAARO CC(C)c1ccc(/C=C2\C[NH+](Cc3ccccc3)C/C(=C\c3ccc(C(C)C)cc3)C2O)cc1 ZINC000012856551 195157820 /nfs/dbraw/zinc/15/78/20/195157820.db2.gz JBRSKCVIBUOUOV-GFTXTJKWSA-N 1 0 451.654 7.277 50 0 JKAARO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1cc(Sc2cccc(Cl)c2)nc2ccccc21 ZINC000020724444 195207023 /nfs/dbraw/zinc/20/70/23/195207023.db2.gz DZWRGJLUOKPPIJ-ROUUACIJSA-N 1 0 454.039 6.032 50 0 JKAARO CC(C)[N@H+](CCCNC(=O)CN1c2ccccc2S/C(=C\c2ccccc2)C1=O)Cc1ccccc1 ZINC000020726736 195207921 /nfs/dbraw/zinc/20/79/21/195207921.db2.gz WPPRBLIWSSMDLU-RRAHZORUSA-N 1 0 499.680 5.583 50 0 JKAARO CCCC[N@H+](CCCNC(=O)c1ccc(/C=C2/Sc3ccccc3NC2=O)cc1)Cc1ccccc1 ZINC000020728566 195208923 /nfs/dbraw/zinc/20/89/23/195208923.db2.gz VCUNHAXPJPFWOO-SGWCAAJKSA-N 1 0 499.680 6.194 50 0 JKAARO CCC[NH+](CCC)CCCNC(=O)CN1C(=O)/C(=C/c2cccc(Cl)c2)Sc2ccccc21 ZINC000020728689 195208946 /nfs/dbraw/zinc/20/89/46/195208946.db2.gz JRMDMXWQBHMYDL-MOHJPFBDSA-N 1 0 486.081 5.448 50 0 JKAARO Cc1oc(-c2cccc(Br)c2)nc1C[NH+]1CCC(C(=O)NC2CCC(C)CC2)CC1 ZINC000020732676 195211262 /nfs/dbraw/zinc/21/12/62/195211262.db2.gz GXCZJYVRHAAEOG-UHFFFAOYSA-N 1 0 474.443 5.319 50 0 JKAARO Cc1cccc(C)c1NC(=S)N(CCC[NH+]1CCCC1)Cc1cccn1Cc1ccc(Cl)cc1 ZINC000020733435 195211489 /nfs/dbraw/zinc/21/14/89/195211489.db2.gz MAEUEXGHPCSHKI-UHFFFAOYSA-N 1 0 495.136 6.492 50 0 JKAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccc3c(c2)NC(=O)/C(=C\c2cccc(Cl)c2)S3)C1 ZINC000020735023 195212061 /nfs/dbraw/zinc/21/20/61/195212061.db2.gz PMWMSIDSJXMRIK-CFROQFMQSA-N 1 0 484.065 5.523 50 0 JKAARO CCCC[N@H+](CC)CCCNC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1cccc(OC)c1)S2 ZINC000020734391 195212080 /nfs/dbraw/zinc/21/20/80/195212080.db2.gz UMLVMBYMJYSLKY-JJIBRWJFSA-N 1 0 467.635 5.022 50 0 JKAARO C[C@@H]1CCC[N@H+](CCCNC(=O)c2ccc3c(c2)NC(=O)/C(=C\c2cccc(Cl)c2)S3)C1 ZINC000020735017 195212096 /nfs/dbraw/zinc/21/20/96/195212096.db2.gz NGVBTBQIDMMGNZ-DMGPTTAYSA-N 1 0 470.038 5.277 50 0 JKAARO CCCC[NH+](CCCC)CCNC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1cccc(OC)c1)S2 ZINC000020734375 195212142 /nfs/dbraw/zinc/21/21/42/195212142.db2.gz OQFLFMQUPFDMRU-XIEYBQDHSA-N 1 0 481.662 5.413 50 0 JKAARO CCC(C)(C)c1ccc(OC[C@@H](O)C[NH+]2CCN(c3ccccc3)CC2)c(C(C)(C)CC)c1 ZINC000020807367 195228712 /nfs/dbraw/zinc/22/87/12/195228712.db2.gz RELFMXVEHMESRO-VWLOTQADSA-N 1 0 452.683 5.624 50 0 JKAARO COc1cc(OC)c(NC(=O)NCC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1Cl ZINC000020851314 195231156 /nfs/dbraw/zinc/23/11/56/195231156.db2.gz DVGAHBOJEZOFBT-UHFFFAOYSA-N 1 0 452.382 5.044 50 0 JKAARO Cc1cccc(/C=C2/Sc3ccc(C(=O)NCCC[NH+]4[C@@H](C)CCC[C@@H]4C)cc3N(C)C2=O)c1 ZINC000020737447 195213641 /nfs/dbraw/zinc/21/36/41/195213641.db2.gz YEWYXWMDBOWRKU-KQUIRPCJSA-N 1 0 477.674 5.487 50 0 JKAARO CC[C@@H](C)[N@H+](CCNC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1)S2)C1CCCCC1 ZINC000020737403 195213650 /nfs/dbraw/zinc/21/36/50/195213650.db2.gz JLQKEALKFLRFTM-CQKAXJAZSA-N 1 0 477.674 5.935 50 0 JKAARO Cc1cccc(CN2c3cc(C(=O)NCC[NH+]4CCCC4)ccc3S/C(=C\c3ccccc3)C2=O)c1 ZINC000020737767 195213877 /nfs/dbraw/zinc/21/38/77/195213877.db2.gz WJWQNBLDMOQZFR-USHMODERSA-N 1 0 497.664 5.501 50 0 JKAARO COc1ccccc1-c1c(C)oc2c(ccc3c2CN(C[C@@H]2CCC[N@@H+]4CCCC[C@H]24)CO3)c1=O ZINC000020762962 195218935 /nfs/dbraw/zinc/21/89/35/195218935.db2.gz QSUZPFPANNDICT-GBXCKJPGSA-N 1 0 474.601 5.193 50 0 biogenic JKAARO O=C(CN1CC[NH+](C2c3ccccc3-c3ccccc32)CC1)Nc1ccc(Oc2ccccc2)cc1 ZINC000020766662 195222242 /nfs/dbraw/zinc/22/22/42/195222242.db2.gz VPSRSRWNEKGDGW-UHFFFAOYSA-N 1 0 475.592 5.805 50 0 JKAARO CCC[NH+](CCC)CCCNC(=O)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1 ZINC000020904458 195245006 /nfs/dbraw/zinc/24/50/06/195245006.db2.gz FCCZGVFSSAHWDO-FTJBHMTQSA-N 1 0 481.706 5.600 50 0 JKAARO Cc1ccccc1-c1cnc(-c2ccncc2)nc1[C@@H]1CCC[N@H+](Cc2coc3ccccc3c2=O)C1 ZINC000020909550 195245927 /nfs/dbraw/zinc/24/59/27/195245927.db2.gz VKWFLGAMXPDERA-HSZRJFAPSA-N 1 0 488.591 6.000 50 0 JKAARO c1ccc(-c2cnc(-c3ccncc3)nc2[C@@H]2CCC[N@@H+](Cc3ccc4c(c3)OCO4)C2)cc1 ZINC000020910890 195246007 /nfs/dbraw/zinc/24/60/07/195246007.db2.gz VKAMDNMSJQALFN-HSZRJFAPSA-N 1 0 450.542 5.314 50 0 JKAARO CCCC[N@H+](CC)CCN1C(=O)c2ccc(-c3ccco3)n2C[C@]1(C)C(=O)NC1CCCCCCC1 ZINC000020920310 195247743 /nfs/dbraw/zinc/24/77/43/195247743.db2.gz MYSHMBHRRSVAHJ-GDLZYMKVSA-N 1 0 496.696 5.314 50 0 JKAARO CCCn1c(CN2CC[NH+](Cc3ccccc3)CC2)nc2cc(NC(=O)c3ccc(C)cc3)ccc21 ZINC000020893105 195237758 /nfs/dbraw/zinc/23/77/58/195237758.db2.gz MZCNXYSXRBSBDR-UHFFFAOYSA-N 1 0 481.644 5.325 50 0 JKAARO COc1cc(OC)c(NC(=O)c2cnn(-c3cccc(Cl)c3C)c2C2CC[NH2+]CC2)cc1Cl ZINC000020941322 195255571 /nfs/dbraw/zinc/25/55/71/195255571.db2.gz LBSCYKWQHUHQGW-UHFFFAOYSA-N 1 0 489.403 5.224 50 0 JKAARO Cc1ccc(C)c(N2CC[NH+](CCCNC(=O)C3=Cc4sc5c(c4CS3)CCCC5)CC2)c1 ZINC000020931449 195251455 /nfs/dbraw/zinc/25/14/55/195251455.db2.gz HOWUQKDRHLLNCZ-UHFFFAOYSA-N 1 0 481.731 5.160 50 0 JKAARO Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)NCC[NH+]3CCC(Cc4ccccc4)CC3)cc12 ZINC000020985370 195260492 /nfs/dbraw/zinc/26/04/92/195260492.db2.gz YCVPLWKRUXCISC-UHFFFAOYSA-N 1 0 479.668 5.991 50 0 JKAARO Cc1nn(-c2ccccc2)c2c1-c1sc(C(=O)N3CC[NH+](C4CCCCC4)CC3)cc1CC2 ZINC000021043284 195270898 /nfs/dbraw/zinc/27/08/98/195270898.db2.gz XPOUMECMRCIZBO-UHFFFAOYSA-N 1 0 460.647 5.098 50 0 JKAARO COc1ccc(-c2csc3ncnc(NCC4CC[NH+](Cc5cccc(F)c5)CC4)c23)cc1 ZINC000021049190 195272246 /nfs/dbraw/zinc/27/22/46/195272246.db2.gz NNDNSSIQLUMCOA-UHFFFAOYSA-N 1 0 462.594 5.830 50 0 JKAARO COc1ccc(-c2csc3ncnc(NCC4CC[NH+](Cc5ccccc5C)CC4)c23)cc1 ZINC000021049173 195272336 /nfs/dbraw/zinc/27/23/36/195272336.db2.gz LRLVBDLHBGWUFB-UHFFFAOYSA-N 1 0 458.631 5.999 50 0 JKAARO COc1ccccc1CN(C(=O)c1cc2cc3cc(C)ccc3nc2s1)C1CC[NH+](C)CC1 ZINC000021087496 195273875 /nfs/dbraw/zinc/27/38/75/195273875.db2.gz PIERPURGSBAGPG-UHFFFAOYSA-N 1 0 459.615 5.503 50 0 JKAARO Cc1ccc(CNC(=O)C2CC[NH+](Cc3cc4ccccc4n3Cc3ccc(C)cc3)CC2)cc1 ZINC000021116223 195278397 /nfs/dbraw/zinc/27/83/97/195278397.db2.gz PGTSOKDOPCMWAU-UHFFFAOYSA-N 1 0 465.641 5.835 50 0 JKAARO Cc1ccc(Cn2c(C[NH+]3CCC(C(=O)NCc4ccc(Cl)cc4)CC3)cc3ccccc32)cc1 ZINC000021116193 195278453 /nfs/dbraw/zinc/27/84/53/195278453.db2.gz VEKMXZAIHXXLNA-UHFFFAOYSA-N 1 0 486.059 6.180 50 0 JKAARO Cc1ccc(Cn2c(C[NH+]3CCC(C(=O)NCc4cccs4)CC3)cc3ccccc32)cc1 ZINC000021116278 195278894 /nfs/dbraw/zinc/27/88/94/195278894.db2.gz QGOQFSBDCNNLAJ-UHFFFAOYSA-N 1 0 457.643 5.588 50 0 JKAARO COc1cc2[nH+]cc(C(=O)c3ccc(C)cc3)c(N3CCN(c4ccccc4F)CC3)c2cc1OC ZINC000021158487 195285387 /nfs/dbraw/zinc/28/53/87/195285387.db2.gz SEBUCQWUHAOFOR-UHFFFAOYSA-N 1 0 485.559 5.257 50 0 JKAARO CCc1cc2c(cc3n2C[C@@](C)(C(=O)NC2CCCCCC2)N(CCC[NH+]2CCCCC2)C3=O)s1 ZINC000021526028 195304858 /nfs/dbraw/zinc/30/48/58/195304858.db2.gz QRSVNOBDVSSHET-NDEPHWFRSA-N 1 0 498.737 5.195 50 0 JKAARO COc1ccccc1C(=O)Nc1ccc2[nH]c(C)c([C@H](c3ccccn3)[NH+]3CCCCC3)c2c1 ZINC000021805862 195323457 /nfs/dbraw/zinc/32/34/57/195323457.db2.gz HMTHJPMWHZIDCU-MHZLTWQESA-N 1 0 454.574 5.708 50 0 JKAARO CC1CC[NH+](Cc2ccc(NC(=O)c3c4c(nc5ccccc53)C(=O)N(C3CCCCC3)C4)cc2)CC1 ZINC000021915421 195331991 /nfs/dbraw/zinc/33/19/91/195331991.db2.gz UTABVGNNGDXJDI-UHFFFAOYSA-N 1 0 496.655 6.008 50 0 JKAARO O=C(Nc1ccc(C(=O)N2CC[NH+](C3CCCCC3)CC2)cc1)N1CCCCc2ccccc21 ZINC000021916171 195332323 /nfs/dbraw/zinc/33/23/23/195332323.db2.gz CWOSPFNAABHDNX-UHFFFAOYSA-N 1 0 460.622 5.152 50 0 JKAARO CC(C)[N@H+](CCCNC(=O)c1ccc(NC(=O)N2CCCCc3ccccc32)cc1)Cc1ccccc1 ZINC000021916117 195332365 /nfs/dbraw/zinc/33/23/65/195332365.db2.gz MWFDKEQELQUTFA-UHFFFAOYSA-N 1 0 498.671 6.092 50 0 JKAARO O=C(NCC1CC[NH+](Cc2cccc(Cl)c2)CC1)c1cc(-c2ccccn2)nc2ccccc21 ZINC000021934261 195335934 /nfs/dbraw/zinc/33/59/34/195335934.db2.gz RJBBXRURQWAHII-UHFFFAOYSA-N 1 0 471.004 5.592 50 0 JKAARO O=C(NCCC[NH+]1CCC(Cc2ccccc2)CC1)c1cc(-c2cccnc2)nc2ccccc21 ZINC000021934609 195336022 /nfs/dbraw/zinc/33/60/22/195336022.db2.gz UVCOHXDDJOCLCD-UHFFFAOYSA-N 1 0 464.613 5.371 50 0 JKAARO Cc1c(NC(=O)[C@@H](C)[NH2+][C@H](c2ccc(C(C)(C)C)cc2)C(C)C)c(=O)n(-c2ccccc2)n1C ZINC000057503171 195348672 /nfs/dbraw/zinc/34/86/72/195348672.db2.gz FWWQCXWXLHPWNX-DVECYGJZSA-N 1 0 462.638 5.096 50 0 JKAARO CCCCOc1ccc([C@](C)(O)[C@@H](C[NH+]2CCN(c3ccccc3F)CC2)c2ccccc2)cc1 ZINC000058480178 195379865 /nfs/dbraw/zinc/37/98/65/195379865.db2.gz CGRKRCYATSPLET-FIBWVYCGSA-N 1 0 476.636 5.818 50 0 JKAARO CCCCOc1ccc([C@@](C)(O)[C@@H](C[NH+]2CCN(c3ccccc3F)CC2)c2ccccc2)cc1 ZINC000058480180 195379948 /nfs/dbraw/zinc/37/99/48/195379948.db2.gz CGRKRCYATSPLET-BHBYDHKZSA-N 1 0 476.636 5.818 50 0 JKAARO CCCCOc1ccc([C@](C)(O)[C@H](C[NH+]2CCN(c3ccc(F)cc3)CC2)c2ccccc2)cc1 ZINC000058480188 195380313 /nfs/dbraw/zinc/38/03/13/195380313.db2.gz LYPBMNMXFVRGJH-IHLOFXLRSA-N 1 0 476.636 5.818 50 0 JKAARO Cc1ccc(-c2cnc(-c3ccccc3C(=O)N3CCC(C[N@@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)o2)cc1 ZINC000058312984 195377331 /nfs/dbraw/zinc/37/73/31/195377331.db2.gz VGUNBNCPIHBVCR-SZPZYZBQSA-N 1 0 473.617 5.278 50 0 JKAARO COc1ccc([C@@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)C[NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)cc1 ZINC000021548935 195314807 /nfs/dbraw/zinc/31/48/07/195314807.db2.gz KWTDNYWMQJKEKM-DIYXEPMQSA-N 1 0 469.629 5.940 50 0 JKAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cccc(-c2cc(Oc3ccccc3)ncn2)c1 ZINC000064578543 195443533 /nfs/dbraw/zinc/44/35/33/195443533.db2.gz FYFAJDHKEBPKCD-UHFFFAOYSA-N 1 0 464.569 5.330 50 0 JKAARO CCN1c2ccccc2C(C)(C)/C1=C\C=C(\C=C\C1=[N+](CC)c2ccccc2C1(C)C)CCCO ZINC000062023162 195420033 /nfs/dbraw/zinc/42/00/33/195420033.db2.gz PBXQSVWNKDNGSG-UHFFFAOYSA-N 1 0 469.693 7.039 50 0 JKAARO O=C(C[C@H](c1cn(Cc2ccccc2)c2ccccc12)c1ccccc1F)NCC[NH+]1CCCC1 ZINC000096275378 130011398 /nfs/dbraw/zinc/01/13/98/130011398.db2.gz MOCXFLONHLPSAK-SANMLTNESA-N 1 0 469.604 5.563 50 0 JKAARO COc1ccc([C@@H](CC(=O)NCC[NH+]2CCCC2)c2cn(Cc3ccc(F)cc3)c3ccccc23)cc1 ZINC000096276440 130014187 /nfs/dbraw/zinc/01/41/87/130014187.db2.gz QHFIKSBDFLVQRQ-MUUNZHRXSA-N 1 0 499.630 5.571 50 0 JKAARO COc1ccc(Cn2cc([C@H](CC(=O)NCC[NH+]3CCCC3)c3ccccc3F)c3ccccc32)cc1 ZINC000096277077 130016400 /nfs/dbraw/zinc/01/64/00/130016400.db2.gz XELJYUZJEAVONJ-HHHXNRCGSA-N 1 0 499.630 5.571 50 0 JKAARO Cc1ccc(Cn2cc([C@H](CCc3ccccc3)CC(=O)NCC[NH+]3CCCC3)c3ccccc32)cc1 ZINC000096277367 130017049 /nfs/dbraw/zinc/01/70/49/130017049.db2.gz OLPRGONHQSXUPG-GDLZYMKVSA-N 1 0 493.695 6.317 50 0 JKAARO COc1ccccc1O[C@@H](CCN1CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000096281679 130028505 /nfs/dbraw/zinc/02/85/05/130028505.db2.gz ZVRFFSGVANSGOU-VWLOTQADSA-N 1 0 451.010 5.677 50 0 JKAARO O=C(CCn1c(Cc2ccccc2Cl)nc2cc(Cl)c(Cl)cc21)NCC[NH+]1CCCC1 ZINC000096291119 130042299 /nfs/dbraw/zinc/04/22/99/130042299.db2.gz JNYRVJHPDZBPIR-UHFFFAOYSA-N 1 0 479.839 5.189 50 0 JKAARO CC(=O)c1ccc(C(=O)N2CCOc3ccc(C[NH+]4CCC(OCc5ccccc5)CC4)cc3C2)cc1 ZINC000014997162 518310015 /nfs/dbraw/zinc/31/00/15/518310015.db2.gz AAEOWXPBEUOJLA-UHFFFAOYSA-N 1 0 498.623 5.105 50 0 JKAARO C/C=C(\C)C[NH+]1CCC(c2nnc(SCc3cccc(F)c3)n2-c2cccc(OC)c2)CC1 ZINC000012512569 518483982 /nfs/dbraw/zinc/48/39/82/518483982.db2.gz ISDNMSYJYYJQFL-RMOCHZDMSA-N 1 0 466.626 5.853 50 0 JKAARO CC(=O)N(c1nc(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cs1)c1ccccc1 ZINC000022915102 519476180 /nfs/dbraw/zinc/47/61/80/519476180.db2.gz VVEHPUVLLYTMOU-UHFFFAOYSA-N 1 0 482.653 5.735 50 0 JKAARO CC(C)CCN1C(=O)N(CCCc2ccncc2)C(=O)C12CC[NH+](CC1=CC[C@H]3C[C@@H]1C3(C)C)CC2 ZINC000014746247 519652206 /nfs/dbraw/zinc/65/22/06/519652206.db2.gz CMGYSIBTPVPKFB-UIOOFZCWSA-N 1 0 492.708 5.152 50 0 JKAARO CC(C)[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccc(F)c(Cl)c1)C(c1ccccc1)=N2 ZINC000020436181 519673879 /nfs/dbraw/zinc/67/38/79/519673879.db2.gz MGTYETOOXOQODR-UHFFFAOYSA-N 1 0 473.017 5.253 50 0 JKAARO CC(=O)Nc1ccc(C[NH+]2CCC([C@@H](Cc3ccccc3F)N(C)C(=O)c3cccs3)CC2)cc1 ZINC000012244619 519715829 /nfs/dbraw/zinc/71/58/29/519715829.db2.gz SIHMNFOFDMLVNX-AREMUKBSSA-N 1 0 493.648 5.441 50 0 JKAARO CC(C)C[NH+](CCNC(=O)[C@H](C)n1nc(-c2ccccc2)c2cc(Cl)ccc21)CC(C)C ZINC000013369309 519717343 /nfs/dbraw/zinc/71/73/43/519717343.db2.gz XJQMMQGVKCEWLC-FQEVSTJZSA-N 1 0 455.046 5.648 50 0 JKAARO CC(C)C[N@@H+](Cc1c(-c2ccccc2)noc1N1CCCCC1)C[C@@H](O)COCc1ccccc1 ZINC000036151094 519717782 /nfs/dbraw/zinc/71/77/82/519717782.db2.gz PAPKPJYXZMJHEM-AREMUKBSSA-N 1 0 477.649 5.368 50 0 JKAARO CC(C)C[N@H+](Cc1ccc(C(O)(c2cccc(F)c2)c2cccc(F)c2)o1)Cc1ccc(F)cc1 ZINC000036167730 519718073 /nfs/dbraw/zinc/71/80/73/519718073.db2.gz FACAJWWOUWHPLL-UHFFFAOYSA-N 1 0 479.542 6.639 50 0 JKAARO CC(C)C[NH+]1CCC(O)(c2ccc3oc(C(=O)N(C)Cc4cccc5ncccc45)cc3c2)CC1 ZINC000012282886 519720659 /nfs/dbraw/zinc/72/06/59/519720659.db2.gz ULJUQTHKTLINSX-UHFFFAOYSA-N 1 0 471.601 5.193 50 0 JKAARO CC(C)COC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)CC1CC1 ZINC000036307307 519755581 /nfs/dbraw/zinc/75/55/81/519755581.db2.gz WQXSNUSSZLTFRQ-DEOSSOPVSA-N 1 0 481.612 5.264 50 0 JKAARO CC(C)COC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)CC1CC1 ZINC000036306868 519757632 /nfs/dbraw/zinc/75/76/32/519757632.db2.gz ASVOQDGCCQPJOT-HSZRJFAPSA-N 1 0 481.612 5.264 50 0 JKAARO CC(C)OCCCNC(=O)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1 ZINC000046055538 519763125 /nfs/dbraw/zinc/76/31/25/519763125.db2.gz UBOQNTWQSRXAMV-UHFFFAOYSA-N 1 0 482.068 5.486 50 0 JKAARO CC(C)OC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C(C)C ZINC000036307552 519771539 /nfs/dbraw/zinc/77/15/39/519771539.db2.gz YIUBKMWAPNUWTO-QFIPXVFZSA-N 1 0 455.574 5.015 50 0 JKAARO CC(C)OC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)C(C)C ZINC000036306770 519771549 /nfs/dbraw/zinc/77/15/49/519771549.db2.gz UGAMHCAVZQSIQY-NRFANRHFSA-N 1 0 455.574 5.015 50 0 JKAARO CC(C)OC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)C1CC1 ZINC000036304991 519771773 /nfs/dbraw/zinc/77/17/73/519771773.db2.gz GUXNHHGEZLFPBL-NRFANRHFSA-N 1 0 470.013 5.283 50 0 JKAARO CC(C)OC[C@@H](O)C[N@@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000036146383 519771881 /nfs/dbraw/zinc/77/18/81/519771881.db2.gz HXMYAUYHMKSGBA-PMACEKPBSA-N 1 0 485.839 5.428 50 0 JKAARO CC(C)OC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C(C)C ZINC000036307039 519771911 /nfs/dbraw/zinc/77/19/11/519771911.db2.gz AVPFPVFSERAOCT-QFIPXVFZSA-N 1 0 455.574 5.015 50 0 JKAARO CC(C)OC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C(C)C ZINC000036307554 519773795 /nfs/dbraw/zinc/77/37/95/519773795.db2.gz YIUBKMWAPNUWTO-JOCHJYFZSA-N 1 0 455.574 5.015 50 0 JKAARO CCC[NH+]1CCC(N(C(=O)c2cccc(C(F)(F)F)c2)c2ccc3[nH]c(C(C)(C)C)cc3c2)CC1 ZINC000016080048 519843084 /nfs/dbraw/zinc/84/30/84/519843084.db2.gz UJOPRRIECQAGMX-UHFFFAOYSA-N 1 0 485.594 7.005 50 0 JKAARO CCC[NH+]1CCC(N(C(=O)c2ccc(NC(=O)c3cc(Cl)nc(Cl)c3)cc2)C2CC2)CC1 ZINC000016080110 519843313 /nfs/dbraw/zinc/84/33/13/519843313.db2.gz GMBCZENGSCAOHL-UHFFFAOYSA-N 1 0 475.420 5.120 50 0 JKAARO CCC[NH+]1CCC(N2CCOc3c(cc(-c4ccccc4C)cc3OC[C@H]3CCOC3)C2)CC1 ZINC000014883205 519844582 /nfs/dbraw/zinc/84/45/82/519844582.db2.gz AAEVVLZBVAYWPO-QHCPKHFHSA-N 1 0 464.650 5.146 50 0 JKAARO CCN(C(=O)C1CCOCC1)[C@H](Cc1ccccc1)C1CC[NH+](CC[C@@H](C)c2ccc(C)o2)CC1 ZINC000014882405 519901455 /nfs/dbraw/zinc/90/14/55/519901455.db2.gz GVCQVUFNIMYTSM-QDPGVEIFSA-N 1 0 480.693 5.680 50 0 JKAARO CCCCCC[C@@](O)(c1ccc(OCCCC)cc1)[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000020443785 520124869 /nfs/dbraw/zinc/12/48/69/520124869.db2.gz NAOPZZWVQAHYKF-FQLXRVMXSA-N 1 0 453.667 6.140 50 0 JKAARO CCCCCC[C@](O)(c1ccc(OCCCC)cc1)[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000020443770 520136069 /nfs/dbraw/zinc/13/60/69/520136069.db2.gz NAOPZZWVQAHYKF-VMPREFPWSA-N 1 0 453.667 6.140 50 0 JKAARO CCOC[C@H](O)C[N@@H+](Cc1c(C(C)C)nn(-c2ccccc2)c1Oc1cccc(F)c1)CC1CC1 ZINC000036308042 520154215 /nfs/dbraw/zinc/15/42/15/520154215.db2.gz HQADRNFZNUNRTB-XMMPIXPASA-N 1 0 481.612 5.537 50 0 JKAARO CCO[C@@H](c1ccccc1)c1ccc2c(c1)C[N@@H+](Cc1c(C)n(C)n(-c3ccccc3)c1=O)CCO2 ZINC000014988637 520315089 /nfs/dbraw/zinc/31/50/89/520315089.db2.gz XVEWMQSCKFFBJN-LJAQVGFWSA-N 1 0 483.612 5.005 50 0 JKAARO CCCC[N@H+](C)CC1CCN(c2nc(CN3CCOCC3)nc3scc(-c4cccs4)c32)CC1 ZINC000048263725 520399858 /nfs/dbraw/zinc/39/98/58/520399858.db2.gz IAGVSXAPUPWHLF-UHFFFAOYSA-N 1 0 499.750 5.200 50 0 JKAARO CCCOc1ccc([C@](O)(CCc2ccccc2)[C@@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000020440483 520433782 /nfs/dbraw/zinc/43/37/82/520433782.db2.gz STUVJWIKNALXHR-IOWSJCHKSA-N 1 0 457.658 6.566 50 0 JKAARO CCOC(=O)C1(Cc2cccc(C(F)(F)F)c2)CC[NH+]([C@H](C)CCc2ccc(O)cc2)CC1 ZINC000012205343 520465875 /nfs/dbraw/zinc/46/58/75/520465875.db2.gz JZICHFGCCLYAKA-LJQANCHMSA-N 1 0 463.540 5.620 50 0 JKAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cc(-c2ccccc2Cl)nc2cc(-c3ccccc3)nn21 ZINC000034833773 520629758 /nfs/dbraw/zinc/62/97/58/520629758.db2.gz FIYFBQIAKCSRSN-HXUWFJFHSA-N 1 0 490.051 5.957 50 0 JKAARO CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)c2cc3cc4ccc(OC)cc4nc3s2)cc1 ZINC000020178783 520692748 /nfs/dbraw/zinc/69/27/48/520692748.db2.gz ACQJVDZENIHSDK-UHFFFAOYSA-N 1 0 477.586 5.209 50 0 JKAARO CC[NH+](CC)CCOc1cc(CNC(=O)c2ccc(OCc3ccc(Cl)cc3)cc2)ccc1OC ZINC000046086265 520696345 /nfs/dbraw/zinc/69/63/45/520696345.db2.gz VSMSAJZYRMWCJE-UHFFFAOYSA-N 1 0 497.035 5.578 50 0 JKAARO CCOc1cc(C[NH+]2CCC(C(=O)N(CCc3ccccc3)Cc3ccccc3)CC2)ccc1O ZINC000012466621 520697144 /nfs/dbraw/zinc/69/71/44/520697144.db2.gz QVHKNVXJOXBXSG-UHFFFAOYSA-N 1 0 472.629 5.274 50 0 JKAARO CC[NH+](CC)Cc1cc(-c2ccc3c(c2)OCO3)ccc1OCC(=O)Nc1cccc(F)c1C ZINC000012281167 520742089 /nfs/dbraw/zinc/74/20/89/520742089.db2.gz UAROBXWHNUMLRD-UHFFFAOYSA-N 1 0 464.537 5.389 50 0 JKAARO CCC[C@@H](O)C[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1)CC1CC1 ZINC000036309248 520797729 /nfs/dbraw/zinc/79/77/29/520797729.db2.gz AVTYXMFEUXFNJY-BVAGGSTKSA-N 1 0 484.706 5.249 50 0 JKAARO CCC[C@@H](O)C[N@H+](CCC)CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1 ZINC000036309236 520798585 /nfs/dbraw/zinc/79/85/85/520798585.db2.gz JTWZXYGGMYKXJE-RDGATRHJSA-N 1 0 472.695 5.249 50 0 JKAARO CCC[C@@H](O)C[N@@H+](Cc1c(C(C)C)nn(-c2ccccc2)c1Oc1ccccc1F)CC1CC1 ZINC000036307935 520798721 /nfs/dbraw/zinc/79/87/21/520798721.db2.gz LBAIHUGUSFCJNI-HSZRJFAPSA-N 1 0 465.613 6.300 50 0 JKAARO C=C1C(Nc2ccc(C[NH+]3CCC(C)CC3)cc2)=NS(=O)(=O)C1c1cccc(Br)c1 ZINC000020465823 520842757 /nfs/dbraw/zinc/84/27/57/520842757.db2.gz OUDISUBOZYUMBQ-UHFFFAOYSA-N 1 0 488.451 5.266 50 0 JKAARO CCCCOc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCC[NH+](C)C)cc1OCC ZINC000008590462 520899297 /nfs/dbraw/zinc/89/92/97/520899297.db2.gz ZSWQAFFTTQLJQT-SANMLTNESA-N 1 0 492.616 5.176 50 0 JKAARO CCCCOc1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCC[NH+](C)C)cc1OCC ZINC000016752936 520899372 /nfs/dbraw/zinc/89/93/72/520899372.db2.gz JRKAGMNHFZCKME-VWLOTQADSA-N 1 0 496.579 5.007 50 0 JKAARO CCN(CC)c1onc(-c2ccc(F)cc2)c1CN(CC[NH+](C)C)C(=O)Nc1ccc(C)cc1 ZINC000036249635 520936263 /nfs/dbraw/zinc/93/62/63/520936263.db2.gz WJWGLQQOMPQSRH-UHFFFAOYSA-N 1 0 467.589 5.231 50 0 JKAARO CCOc1ccc(NC(=O)N2CCC[C@@H](c3cccc(C(=O)NCC[NH+]4CCCCCC4)c3)C2)cc1 ZINC000033035224 521084093 /nfs/dbraw/zinc/08/40/93/521084093.db2.gz CYCBBXIBHOOWQX-RUZDIDTESA-N 1 0 492.664 5.103 50 0 JKAARO CCOc1ccc(NC(=O)N2CCC[C@H](c3cccc(C(=O)NCC[NH+]4CCCCCC4)c3)C2)cc1 ZINC000033035226 521085418 /nfs/dbraw/zinc/08/54/18/521085418.db2.gz CYCBBXIBHOOWQX-VWLOTQADSA-N 1 0 492.664 5.103 50 0 JKAARO CCC[C@H](O)C[N@@H+](Cc1c(C(C)C)nn(-c2ccccc2)c1Oc1cccc(F)c1)CC1CC1 ZINC000036308020 521181110 /nfs/dbraw/zinc/18/11/10/521181110.db2.gz YHMXRXZQURKHHQ-DEOSSOPVSA-N 1 0 465.613 6.300 50 0 JKAARO CCC[C@H](O)C[N@@H+](Cc1c(C(C)C)nn(-c2ccccc2)c1Oc1ccccc1F)CC1CC1 ZINC000036307932 521181978 /nfs/dbraw/zinc/18/19/78/521181978.db2.gz LBAIHUGUSFCJNI-QHCPKHFHSA-N 1 0 465.613 6.300 50 0 JKAARO CCC[C@H](O)C[N@H+](CCC(C)C)CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1 ZINC000036309165 521182509 /nfs/dbraw/zinc/18/25/09/521182509.db2.gz ZFNUUQNUIXILHA-DHLKQENFSA-N 1 0 472.695 5.070 50 0 JKAARO CCC[C@H](O)C[N@H+](CCC)CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1 ZINC000036309235 521182602 /nfs/dbraw/zinc/18/26/02/521182602.db2.gz JTWZXYGGMYKXJE-DHLKQENFSA-N 1 0 472.695 5.249 50 0 JKAARO CCOc1ccc2oc(=O)cc(C[NH+]3CCC(C(O)(c4ccccc4)c4ccccc4)CC3)c2c1 ZINC000020446883 521310343 /nfs/dbraw/zinc/31/03/43/521310343.db2.gz BDTQMZGVPQSLCD-UHFFFAOYSA-N 1 0 469.581 5.340 50 0 JKAARO CCOC(=O)c1c(-c2ccc(-c3ccccc3)cc2)csc1NC(=O)CCN1CC[NH+](CC)CC1 ZINC000022804183 521370133 /nfs/dbraw/zinc/37/01/33/521370133.db2.gz QNLMXIZLXMCPQU-UHFFFAOYSA-N 1 0 491.657 5.225 50 0 JKAARO CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC[C@@H](O)C[NH2+]C3CCCCC3)cc21 ZINC000006144610 521394982 /nfs/dbraw/zinc/39/49/82/521394982.db2.gz DFWGRTKYMKXIMY-QHCPKHFHSA-N 1 0 464.606 5.086 50 0 JKAARO CCOC(=O)c1c(C)n(C)c2ccc(OC[C@@H](O)C[NH+](C3CCCCC3)C3CCCCC3)cc21 ZINC000028296709 521397812 /nfs/dbraw/zinc/39/78/12/521397812.db2.gz MYCMAMOQCVUUPV-QHCPKHFHSA-N 1 0 470.654 5.371 50 0 JKAARO CCOC(=O)c1c(NC(=O)c2ccccc2)sc(C[NH+]2CCCCC2)c1-c1cccs1 ZINC000008387659 521412511 /nfs/dbraw/zinc/41/25/11/521412511.db2.gz PHZLYKHZPDISAC-UHFFFAOYSA-N 1 0 454.617 5.892 50 0 JKAARO CCOc1cccc2c1cc(C(=O)NC1CC[NH+](Cc3ccccc3)CC1)n2Cc1ccccc1C ZINC000040386682 521435098 /nfs/dbraw/zinc/43/50/98/521435098.db2.gz UPAZAIXGDXBHDI-UHFFFAOYSA-N 1 0 481.640 5.791 50 0 JKAARO CCOc1ccccc1C[NH+]1CCC(c2nnc(SC[C@@H]3CCCO3)n2Cc2ccccc2)CC1 ZINC000014990809 521485234 /nfs/dbraw/zinc/48/52/34/521485234.db2.gz FVEKKMTXPZWANJ-VWLOTQADSA-N 1 0 492.689 5.376 50 0 JKAARO CCC(CC)C(=O)N1CCC(Oc2ccc(C[NH+]3CCC(Cc4ccccc4)CC3)cc2)CC1 ZINC000012455140 521488674 /nfs/dbraw/zinc/48/86/74/521488674.db2.gz IFILCRPDWSOHOB-UHFFFAOYSA-N 1 0 462.678 5.947 50 0 JKAARO CCN1C(=O)N(CCCc2cccnc2)C(=O)C12CC[NH+](CCC1=C(C)CCCC1(C)C)CC2 ZINC000014746941 521524210 /nfs/dbraw/zinc/52/42/10/521524210.db2.gz BOFMESVUGOKMRD-UHFFFAOYSA-N 1 0 466.670 5.050 50 0 JKAARO CCN1C(=O)N(Cc2cccc3ccccc32)C(=O)C12CC[NH+](Cc1cc3ccccc3[nH]1)CC2 ZINC000014732656 521527960 /nfs/dbraw/zinc/52/79/60/521527960.db2.gz ADYYUYPJXRBVOK-UHFFFAOYSA-N 1 0 466.585 5.140 50 0 JKAARO CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccccc1C)C(c1ccc(Br)cc1)=N2 ZINC000045912819 521585318 /nfs/dbraw/zinc/58/53/18/521585318.db2.gz PPKSXHNFKAASIM-UHFFFAOYSA-N 1 0 499.478 5.143 50 0 JKAARO CCC[NH+](CCC)CCCNC(=O)c1oc2ccc3c(c2c1C)[C@@H](O)CC1(CCCCC1)O3 ZINC000008912099 521647317 /nfs/dbraw/zinc/64/73/17/521647317.db2.gz AVNJPYAYTCSAGY-FQEVSTJZSA-N 1 0 456.627 5.502 50 0 biogenic JKAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(/C=C2\Oc3ccccc3N(Cc3ccccc3F)C2=O)cc1 ZINC000020179257 521657415 /nfs/dbraw/zinc/65/74/15/521657415.db2.gz KSUJCBMNXBAIDV-LKSMXUKOSA-N 1 0 499.586 5.007 50 0 JKAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1sc2c(cnc3ccc(OC)cc23)c1-c1ccc(C)cc1 ZINC000045943796 521657817 /nfs/dbraw/zinc/65/78/17/521657817.db2.gz SKCQBJOMWICXMI-IBGZPJMESA-N 1 0 459.615 5.648 50 0 JKAARO CCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1)C[C@H](O)COCC(C)C ZINC000036305539 521678195 /nfs/dbraw/zinc/67/81/95/521678195.db2.gz TUHBSVSMENNCQQ-QHCPKHFHSA-N 1 0 481.637 5.134 50 0 JKAARO CCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)C[C@@H](O)COCC(C)C ZINC000036306259 521678442 /nfs/dbraw/zinc/67/84/42/521678442.db2.gz ICDUGSIHWBBXCU-HSZRJFAPSA-N 1 0 481.637 5.134 50 0 JKAARO CCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C[C@@H](O)COC(C)(C)C ZINC000036307209 521678674 /nfs/dbraw/zinc/67/86/74/521678674.db2.gz VCKYIRJPNMLAQQ-JOCHJYFZSA-N 1 0 469.601 5.407 50 0 JKAARO CCC[N@@H+](Cc1c(-c2ccccc2)noc1N1CCCCC1)C[C@H](O)COCc1ccccc1 ZINC000036249848 521678937 /nfs/dbraw/zinc/67/89/37/521678937.db2.gz CUDXLMUSKRSRKK-VWLOTQADSA-N 1 0 463.622 5.122 50 0 JKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C[C@@H](O)Cc1ccccc1 ZINC000036304544 521679400 /nfs/dbraw/zinc/67/94/00/521679400.db2.gz KXQXDGCUVVQCPE-SANMLTNESA-N 1 0 485.628 5.797 50 0 JKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)C[C@H](O)COCC(C)C ZINC000036308526 521680140 /nfs/dbraw/zinc/68/01/40/521680140.db2.gz XGARHMALFVQBGI-DEOSSOPVSA-N 1 0 451.611 5.219 50 0 JKAARO CCC[N@@H+](Cc1c(CC)nn(-c2ccc(OC)cc2)c1Oc1ccccc1OC)C[C@@H](O)C(C)C ZINC000036303369 521680505 /nfs/dbraw/zinc/68/05/05/521680505.db2.gz JNZPJUDJHKLJPT-RUZDIDTESA-N 1 0 481.637 5.473 50 0 JKAARO CCC[N@H+](Cc1cc(OC)c(OC)c(OC)c1)Cc1cc(=O)n2c(-c3ccc(F)cc3)csc2n1 ZINC000033068988 521681719 /nfs/dbraw/zinc/68/17/19/521681719.db2.gz OOMDEEBJVSXECZ-UHFFFAOYSA-N 1 0 497.592 5.000 50 0 JKAARO CCC[N@H+](Cc1ccc(C(O)(c2cccs2)c2cccs2)o1)Cc1ccc(OC)cc1 ZINC000036167697 521682402 /nfs/dbraw/zinc/68/24/02/521682402.db2.gz XTHQELKFBSLITC-UHFFFAOYSA-N 1 0 453.629 6.108 50 0 JKAARO CCC[N@H+](Cc1ccc(C(O)(c2ccc(F)cc2)c2ccc(F)cc2)o1)Cc1cccc(C)c1 ZINC000036203502 521682503 /nfs/dbraw/zinc/68/25/03/521682503.db2.gz DHNXJRMLGFNSHO-UHFFFAOYSA-N 1 0 461.552 6.563 50 0 JKAARO CCC[N@H+](Cc1ccc(C(O)(c2cccc(F)c2)c2cccc(F)c2)o1)Cc1ccc(OC)cc1 ZINC000036167695 521682929 /nfs/dbraw/zinc/68/29/29/521682929.db2.gz CIIBTLXHDIFBFN-UHFFFAOYSA-N 1 0 477.551 6.263 50 0 JKAARO CC[NH+]1CCN([C@H](c2c(C)c(C)sc2NC(=O)c2ccco2)c2ccc(C(F)(F)F)cc2)CC1 ZINC000021554778 521694817 /nfs/dbraw/zinc/69/48/17/521694817.db2.gz FTMDXDHNHQAYHV-QFIPXVFZSA-N 1 0 491.579 5.956 50 0 JKAARO CN(c1onc(-c2ccccc2)c1CN(CC[NH+](C)C)C(=O)C1CCCC1)C1CCCCC1 ZINC000036249562 521749376 /nfs/dbraw/zinc/74/93/76/521749376.db2.gz XDZMIJIDILTDOU-UHFFFAOYSA-N 1 0 452.643 5.191 50 0 JKAARO COC(=O)c1c(NCC2CC[NH+](Cc3cccc(C)c3)CC2)onc1-c1ccc(Cl)cc1 ZINC000046914168 521774218 /nfs/dbraw/zinc/77/42/18/521774218.db2.gz RJOSTYYOXOHNJL-UHFFFAOYSA-N 1 0 453.970 5.414 50 0 JKAARO CN(c1cc(C(C)(C)C)nc(SCc2ccc(C(=O)NCC[NH+](C)C)cc2)n1)C1CCCCC1 ZINC000036070797 521784917 /nfs/dbraw/zinc/78/49/17/521784917.db2.gz LVRNUKMLTGJUNB-UHFFFAOYSA-N 1 0 483.726 5.127 50 0 JKAARO COc1cc(Br)cc2c1OC1(CC[NH+](C)CC1)N1N=C(c3ccc(Cl)cc3)C[C@H]21 ZINC000008717693 522026803 /nfs/dbraw/zinc/02/68/03/522026803.db2.gz VIKPVJJXHONMBU-LJQANCHMSA-N 1 0 476.802 5.077 50 0 JKAARO CC[C@@H](C)[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)C[C@H](O)Cc1ccccc1 ZINC000036305783 522094558 /nfs/dbraw/zinc/09/45/58/522094558.db2.gz CJHGTQUQRFRYBS-ZEQKJWHPSA-N 1 0 499.655 6.092 50 0 JKAARO CC[C@@H](C)[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C[C@H](O)COC(C)C ZINC000036304461 522097570 /nfs/dbraw/zinc/09/75/70/522097570.db2.gz UXQBMNRUWIGLFA-QPPBQGQZSA-N 1 0 481.637 5.368 50 0 JKAARO CC[C@@H](C)[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C[C@H](O)Cc1ccccc1 ZINC000036302064 522097667 /nfs/dbraw/zinc/09/76/67/522097667.db2.gz TXMMEXQAGLJBND-YIXXDRMTSA-N 1 0 499.655 6.186 50 0 JKAARO COc1cc(C(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)ccc1OCc1c(C)noc1C ZINC000046779519 522125354 /nfs/dbraw/zinc/12/53/54/522125354.db2.gz LYIOWFUFEWSKPR-LJQANCHMSA-N 1 0 477.605 5.041 50 0 JKAARO COc1cc(C)ccc1O[C@H](CCN1CC[NH+](Cc2ccccc2)CC1)c1cccc(Cl)c1 ZINC000034728556 522280648 /nfs/dbraw/zinc/28/06/48/522280648.db2.gz NPNVMSYXTIJNRZ-AREMUKBSSA-N 1 0 465.037 5.985 50 0 JKAARO COc1cc(C[NH+]2CCC(c3nc(-c4ccncc4)ncc3-c3cccc(C)c3)CC2)cc2c1OCO2 ZINC000012331010 522367590 /nfs/dbraw/zinc/36/75/90/522367590.db2.gz DTYLBOIODYQDBZ-UHFFFAOYSA-N 1 0 494.595 5.631 50 0 JKAARO COc1cc(C[NH+]2CCC(c3nc(-c4cccnc4)ncc3-c3ccccc3)CC2)cc2c1OCO2 ZINC000014991236 522368218 /nfs/dbraw/zinc/36/82/18/522368218.db2.gz CDQPGBLIRJGNJY-UHFFFAOYSA-N 1 0 480.568 5.323 50 0 JKAARO COc1cc(C[NH+]2CCC([C@H](Cc3ccccc3)N(C)C(=O)c3cccs3)CC2)cc(OC)c1O ZINC000014887480 522369920 /nfs/dbraw/zinc/36/99/20/522369920.db2.gz FGKQTFBSVGHUPQ-QHCPKHFHSA-N 1 0 494.657 5.066 50 0 JKAARO COc1cc(C[NH+]2CCC([C@@H](Cc3ccccc3F)N(C)C(=O)c3ccoc3C)CC2)cc(OC)c1 ZINC000014956586 522370966 /nfs/dbraw/zinc/37/09/66/522370966.db2.gz DVEZDRQBENUWOO-MUUNZHRXSA-N 1 0 494.607 5.340 50 0 JKAARO COc1cc(C[N@@H+]2CCC[C@@H](C)C2)ccc1OCCCNC(=O)c1ccc(C(F)(F)F)cc1 ZINC000014970515 522372393 /nfs/dbraw/zinc/37/23/93/522372393.db2.gz MUCKOTAUENKVRA-GOSISDBHSA-N 1 0 464.528 5.145 50 0 JKAARO COC(=O)c1sc2nc(C[N@H+](C)[C@H](C)c3cccs3)ccc2c1NC(=O)c1cccc(F)c1 ZINC000014974101 522432431 /nfs/dbraw/zinc/43/24/31/522432431.db2.gz UHMFBCAGFDSWKR-CQSZACIVSA-N 1 0 483.590 5.729 50 0 JKAARO COC(=O)c1sc2nc(C[N@H+](C)Cc3ccccc3)ccc2c1NC(=O)c1ccccc1Cl ZINC000014987748 522432573 /nfs/dbraw/zinc/43/25/73/522432573.db2.gz YBAPVIMDUHWYHH-UHFFFAOYSA-N 1 0 479.989 5.621 50 0 JKAARO COc1cc(C[NH2+]C[C@]2(C)CCC[C@@]3(C)c4ccc(C(C)C)cc4CC[C@H]23)cc(OC)c1OC ZINC000016948589 522461903 /nfs/dbraw/zinc/46/19/03/522461903.db2.gz MPWSUTJLNFWPHG-GGCFSWKVSA-N 1 0 465.678 6.636 50 0 JKAARO COc1cc(C[NH2+][C@@H](C)c2ccccc2)cc(Br)c1OCc1ccccc1Cl ZINC000002177978 522474451 /nfs/dbraw/zinc/47/44/51/522474451.db2.gz GBNFXGVUSNPSHS-INIZCTEOSA-N 1 0 460.799 6.541 50 0 JKAARO CCc1nn(-c2ccccc2)c(Oc2ccccc2OC)c1C[N@H+](C[C@@H](O)COC(C)C)CC1CC1 ZINC000036302834 522641721 /nfs/dbraw/zinc/64/17/21/522641721.db2.gz SDVNBPKUFBRMGC-XMMPIXPASA-N 1 0 493.648 5.234 50 0 JKAARO CC[C@@H]([NH2+]C1CCN(c2ccc(C(=O)NC3CCCC3)cc2)CC1)c1nc2cc(C)ccc2[nH]1 ZINC000012246337 522812116 /nfs/dbraw/zinc/81/21/16/522812116.db2.gz HIICHYVEDOWRAM-XMMPIXPASA-N 1 0 459.638 5.253 50 0 JKAARO C[N@H+](CCNC(=O)c1cccc([C@H]2CCCN(C(=O)Nc3ccccc3)C2)c1)C1CCCCC1 ZINC000033035818 522859601 /nfs/dbraw/zinc/85/96/01/522859601.db2.gz YUIXDQBZWNDCOJ-DEOSSOPVSA-N 1 0 462.638 5.092 50 0 JKAARO C[N@H+](CCNC(=O)c1cccc([C@@H]2CCCN(C(=O)Nc3ccc(Cl)cc3)C2)c1)C1CCCCC1 ZINC000033035497 522861034 /nfs/dbraw/zinc/86/10/34/522861034.db2.gz BWVWYFNRYHRPGH-HSZRJFAPSA-N 1 0 497.083 5.746 50 0 JKAARO C[N@H+](CCc1ccccn1)Cc1cccc(OC2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000012247077 522964544 /nfs/dbraw/zinc/96/45/44/522964544.db2.gz JCJQSWUBEGHGPU-UHFFFAOYSA-N 1 0 497.561 5.459 50 0 JKAARO COc1cc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCC[NH+](C)C)ccc1OCCC(C)C ZINC000016752078 522970462 /nfs/dbraw/zinc/97/04/62/522970462.db2.gz FLFUZVUSIJXSDV-SANMLTNESA-N 1 0 492.616 5.032 50 0 JKAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)CN1C(=O)/C(=C\c2cccc(Cl)c2)Sc2ccccc21 ZINC000020181068 523168618 /nfs/dbraw/zinc/16/86/18/523168618.db2.gz XABHOGZZVIXSHH-RYEBZEHMSA-N 1 0 498.092 5.591 50 0 JKAARO COc1ccc(-c2csc3[nH]c(C[N@H+](C[C@H](O)c4ccccc4)C4CCCCC4)nc(=O)c23)cc1 ZINC000036206302 523174031 /nfs/dbraw/zinc/17/40/31/523174031.db2.gz KJYJXVJSKPMXML-DEOSSOPVSA-N 1 0 489.641 5.529 50 0 JKAARO C[N@H+](Cc1cc2ccccc2s1)Cc1ccc(OC2CCN(C(=O)c3ccncc3)CC2)cc1 ZINC000014969456 523188758 /nfs/dbraw/zinc/18/87/58/523188758.db2.gz SGPUDDNWUYSIFJ-UHFFFAOYSA-N 1 0 471.626 5.612 50 0 JKAARO COCCC[N@H+](Cc1ccc(C(O)(c2cccc(F)c2)c2cccc(F)c2)o1)Cc1cccc(C)c1 ZINC000036203481 523264303 /nfs/dbraw/zinc/26/43/03/523264303.db2.gz MSZYQRJDIVDXCB-UHFFFAOYSA-N 1 0 491.578 6.189 50 0 JKAARO COCCC[N@H+](Cc1ccc(C(O)(c2cccs2)c2cccs2)o1)Cc1ccc(F)cc1 ZINC000036167759 523264893 /nfs/dbraw/zinc/26/48/93/523264893.db2.gz XLKRXDGEPVHUGL-UHFFFAOYSA-N 1 0 471.619 5.865 50 0 JKAARO COCCC[N@@H+](Cc1ccsc1)Cc1ccc(C(O)(c2cccs2)c2cccs2)o1 ZINC000036202917 523266235 /nfs/dbraw/zinc/26/62/35/523266235.db2.gz JJTIYMXVIRSJJG-UHFFFAOYSA-N 1 0 459.658 5.787 50 0 JKAARO C[N@H+](Cc1ccc(OCC[C@@H]2CCCCN2C(=O)C2CCCCC2)cc1)Cc1cccc2ncccc12 ZINC000012245265 523273480 /nfs/dbraw/zinc/27/34/80/523273480.db2.gz MWUQCTLNOXGFHA-NDEPHWFRSA-N 1 0 499.699 6.597 50 0 JKAARO C[N@H+](Cc1cccc(Cl)c1)C1CCN(C(=O)Nc2ccc(Br)cc2F)CC1 ZINC000020387770 523302394 /nfs/dbraw/zinc/30/23/94/523302394.db2.gz SJTFGCCREWKEEO-UHFFFAOYSA-N 1 0 454.771 5.370 50 0 JKAARO C[N@H+](Cc1cccnc1)[C@H](Cc1ccccc1)C1CCN(C(=O)c2cc(-c3ccccc3)n[nH]2)CC1 ZINC000012246044 523416404 /nfs/dbraw/zinc/41/64/04/523416404.db2.gz GEWOXPMCGXNQOG-GDLZYMKVSA-N 1 0 479.628 5.067 50 0 JKAARO CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)CCCC[NH+]1CCCC1 ZINC000048345007 523488296 /nfs/dbraw/zinc/48/82/96/523488296.db2.gz CDQODRNZETXJRA-UHFFFAOYSA-N 1 0 451.014 5.417 50 0 JKAARO CCn1nc(C)c(C[NH+]2CCC([C@H](Cc3ccccc3)N(C)C(=O)c3ccsc3)CC2)c1C ZINC000012455369 523641168 /nfs/dbraw/zinc/64/11/68/523641168.db2.gz UEHJSJPFUZXWGR-SANMLTNESA-N 1 0 464.679 5.177 50 0 JKAARO C[N@@H+]1CCCCC[C@@H]1C(=O)N(Cc1ccncc1)Cc1cccc(OCCc2ccc(F)cc2)c1 ZINC000012247114 523790902 /nfs/dbraw/zinc/79/09/02/523790902.db2.gz BUZBOZOHCGYHLN-MUUNZHRXSA-N 1 0 475.608 5.245 50 0 JKAARO COc1ccc(C(O)(c2ccc(C[N@H+](Cc3ccccc3)C3CC3)o2)c2ccc(OC)cc2)cc1 ZINC000036203638 523796111 /nfs/dbraw/zinc/79/61/11/523796111.db2.gz ZDIIHLCUWNGMAZ-UHFFFAOYSA-N 1 0 469.581 5.746 50 0 JKAARO COc1ccc(C(O)(c2ccc(C[N@H+](Cc3ccc(C)cc3)C3CC3)o2)c2ccc(OC)cc2)cc1 ZINC000036202808 523796503 /nfs/dbraw/zinc/79/65/03/523796503.db2.gz ZUEQVBHSHUOPSU-UHFFFAOYSA-N 1 0 483.608 6.054 50 0 JKAARO C[N@@H+]1CCC[C@H](COc2cc(-c3cccc(Cl)c3)cc3c2OCCN(C(=O)c2cccs2)C3)C1 ZINC000014879109 523842954 /nfs/dbraw/zinc/84/29/54/523842954.db2.gz PHTOEQYWLLEECW-IBGZPJMESA-N 1 0 497.060 5.824 50 0 JKAARO CCc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](C(=O)NCc4ccccc4Cl)C3)c(C)o2)cc1 ZINC000008654516 523859377 /nfs/dbraw/zinc/85/93/77/523859377.db2.gz BNNKFQVAIUXODI-JOCHJYFZSA-N 1 0 451.998 5.394 50 0 JKAARO CCc1ccc(CNC(=O)C2CC[NH+](Cc3cc4ccccc4n3Cc3cccc(F)c3)CC2)cc1 ZINC000046056079 523932281 /nfs/dbraw/zinc/93/22/81/523932281.db2.gz CCHZJMDPCBWGQQ-UHFFFAOYSA-N 1 0 483.631 5.920 50 0 JKAARO CC[C@H](C)[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)C[C@H](O)COC(C)(C)C ZINC000036305809 523940056 /nfs/dbraw/zinc/94/00/56/523940056.db2.gz DOHUMSFYLWEUNS-GMAHTHKFSA-N 1 0 495.664 5.665 50 0 JKAARO CC[C@H](C)[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)C[C@H](O)COCC(C)C ZINC000036305791 523940724 /nfs/dbraw/zinc/94/07/24/523940724.db2.gz JGTMGNIYZMOICN-UPVQGACJSA-N 1 0 495.664 5.522 50 0 JKAARO CN(C(=O)c1cccs1)[C@H](Cc1ccccc1)C1CC[NH+](Cc2ccc3nsnc3c2)CC1 ZINC000012454381 523951222 /nfs/dbraw/zinc/95/12/22/523951222.db2.gz KHJGSJVITIAHLY-XMMPIXPASA-N 1 0 476.671 5.348 50 0 JKAARO CN(C(=O)c1cccs1)[C@@H](Cc1ccccc1F)C1CC[NH+](Cc2ccc3nsnc3c2)CC1 ZINC000014978303 523951319 /nfs/dbraw/zinc/95/13/19/523951319.db2.gz QGNRYGFQGMUAFE-DEOSSOPVSA-N 1 0 494.661 5.487 50 0 JKAARO CN(C(=O)c1ccco1)[C@@H](Cc1ccccc1Cl)C1CC[NH+](Cc2ccc3ncccc3c2)CC1 ZINC000014996945 523951393 /nfs/dbraw/zinc/95/13/93/523951393.db2.gz QEKNMULRQFTLAR-MHZLTWQESA-N 1 0 488.031 6.077 50 0 JKAARO CN(C(=O)c1cccs1)[C@@H](Cc1ccccc1F)C1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000012281484 523951424 /nfs/dbraw/zinc/95/14/24/523951424.db2.gz KGZGORPJJRVIIY-VWLOTQADSA-N 1 0 478.633 5.418 50 0 JKAARO CN(C(=O)c1ccco1)[C@H](Cc1ccccc1Cl)C1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000014978764 523951721 /nfs/dbraw/zinc/95/17/21/523951721.db2.gz CVEZZMGMRYRCKT-AREMUKBSSA-N 1 0 488.031 6.077 50 0 JKAARO CN(C(=O)c1ccsc1)[C@@H](Cc1ccccc1F)C1CC[NH+](Cc2cccc3ncccc23)CC1 ZINC000014959742 523955670 /nfs/dbraw/zinc/95/56/70/523955670.db2.gz MTLBKWDFBUCKOD-NDEPHWFRSA-N 1 0 487.644 6.031 50 0 JKAARO CN(C(=O)c1ccsc1)[C@H](Cc1ccccc1F)C1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000014963841 523956679 /nfs/dbraw/zinc/95/66/79/523956679.db2.gz GYTIBLUGHYNVRS-HHHXNRCGSA-N 1 0 462.634 5.450 50 0 JKAARO COc1ccc(CCNC(=O)[C@@H]2C[C@@H](c3ccc(F)c(C)c3)C[N@H+](Cc3cccc(OC)c3)C2)cc1 ZINC000034716830 523966709 /nfs/dbraw/zinc/96/67/09/523966709.db2.gz OGJQGQDANNVDTH-CLJLJLNGSA-N 1 0 490.619 5.116 50 0 JKAARO CCc1ccc(NC(=O)N2CCC[C@@H](c3cccc(C(=O)NCC[NH+]4CCCCCC4)c3)C2)cc1 ZINC000033035627 523979616 /nfs/dbraw/zinc/97/96/16/523979616.db2.gz SOGHHAWTONHRCT-AREMUKBSSA-N 1 0 476.665 5.266 50 0 JKAARO COc1ccc(C[N@H+](Cc2ccc(C(O)(c3ccc(F)cc3)c3ccc(F)cc3)o2)C2CC2)cc1 ZINC000036156186 524015014 /nfs/dbraw/zinc/01/50/14/524015014.db2.gz MDMXNZNJSYEQBI-UHFFFAOYSA-N 1 0 475.535 6.015 50 0 JKAARO COc1ccc(C[NH+]2CCC([C@@H](Cc3ccccc3F)N(C)C(=O)c3cccs3)CC2)cc1 ZINC000012245718 524024419 /nfs/dbraw/zinc/02/44/19/524024419.db2.gz DTXOBPQDZYPBCB-RUZDIDTESA-N 1 0 466.622 5.491 50 0 JKAARO COc1ccc(C[NH+]2CCC(c3nnc(SC[C@@H]4CCCO4)n3Cc3ccccc3)CC2)cc1C ZINC000012327267 524025596 /nfs/dbraw/zinc/02/55/96/524025596.db2.gz GPUFQZCVQBSOCZ-VWLOTQADSA-N 1 0 492.689 5.294 50 0 JKAARO COc1ccc(C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2c2cccc(Cl)c2)c2ccccc12 ZINC000016672194 524038748 /nfs/dbraw/zinc/03/87/48/524038748.db2.gz UNLVOCZREAEBED-LJAQVGFWSA-N 1 0 474.000 6.667 50 0 JKAARO C[C@H]1CCC[N@H+](Cc2cc(-c3ccc4c(c3)OCO4)ccc2OCC(=O)N2CCCCCC2)C1 ZINC000014980314 524093345 /nfs/dbraw/zinc/09/33/45/524093345.db2.gz BKWARHSPVCTDME-NRFANRHFSA-N 1 0 464.606 5.096 50 0 JKAARO Cc1ccc(C)c(C[NH+]2CCC3(CC2)C(=O)N(CCCc2cccnc2)C(=O)N3Cc2ccccc2)c1 ZINC000014542693 524101613 /nfs/dbraw/zinc/10/16/13/524101613.db2.gz DAZIKKNWGDOLHH-UHFFFAOYSA-N 1 0 496.655 5.130 50 0 JKAARO Cc1cccc(-c2cc(Nc3cccc(C(=O)NC4CC[NH+](Cc5ccccc5)CC4)c3)ncn2)c1 ZINC000033260934 524105854 /nfs/dbraw/zinc/10/58/54/524105854.db2.gz ZLBDYRGUCZDJRG-UHFFFAOYSA-N 1 0 477.612 5.590 50 0 JKAARO Cc1cccc(-c2cc(Nc3ccc(C(=O)NC4CC[NH+](Cc5ccccc5)CC4)cc3)ncn2)c1 ZINC000033261159 524106535 /nfs/dbraw/zinc/10/65/35/524106535.db2.gz KTHRYYVVTABVAF-UHFFFAOYSA-N 1 0 477.612 5.590 50 0 JKAARO Cc1cccc(-c2cccc(C(=O)NC[C@H]3CCC4(CC[NH+](Cc5ccccc5)CC4)O3)c2)c1 ZINC000014879033 524110149 /nfs/dbraw/zinc/11/01/49/524110149.db2.gz AUFUVIJQBADBAB-MUUNZHRXSA-N 1 0 454.614 5.606 50 0 JKAARO Cc1cccc(-c2cnc(-c3ccncc3)nc2C2CC[NH+](Cc3cccc(OCCO)c3)CC2)c1 ZINC000012217286 524110481 /nfs/dbraw/zinc/11/04/81/524110481.db2.gz FZGXTFGOZMYTFF-UHFFFAOYSA-N 1 0 480.612 5.265 50 0 JKAARO COc1cccc([C@H](CNC(=O)CCc2nc(-c3ccccc3)c(-c3ccccc3)o2)[NH+](C)C)c1 ZINC000022683729 524159163 /nfs/dbraw/zinc/15/91/63/524159163.db2.gz GQDYIHNBTBQEQO-VWLOTQADSA-N 1 0 469.585 5.369 50 0 JKAARO C[C@H]1CCC[C@H](C)[NH+]1CCCNC(=O)c1ccc2c(c1)N(Cc1ccc(F)cc1)CCS2 ZINC000009962688 524189152 /nfs/dbraw/zinc/18/91/52/524189152.db2.gz PXENOSPDLHVTGW-PMACEKPBSA-N 1 0 455.643 5.321 50 0 JKAARO Cc1ccc(C)n1-c1c2cccnc2sc1C(=O)NCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000033059982 524218022 /nfs/dbraw/zinc/21/80/22/524218022.db2.gz UBDBJZRJOWNXCB-UHFFFAOYSA-N 1 0 486.685 5.778 50 0 JKAARO C[C@@H]1CCC[N@H+](Cc2cc(-c3ccc4c(c3)OCO4)ccc2OCC(=O)NCc2cccc(F)c2)C1 ZINC000014974989 524230253 /nfs/dbraw/zinc/23/02/53/524230253.db2.gz ISMIYYPOQQMWCM-HXUWFJFHSA-N 1 0 490.575 5.149 50 0 JKAARO Cc1cccc(C)c1NC(=O)Cn1cc(-c2nnc(C[NH+]3CCC(C)CC3)o2)c2ccccc21 ZINC000033129360 524284657 /nfs/dbraw/zinc/28/46/57/524284657.db2.gz HQDUBAKABCOKIW-UHFFFAOYSA-N 1 0 457.578 5.179 50 0 JKAARO Cc1cc(C)c2c(n1)sc1c2ncnc1N1CC[NH+](Cc2c(C)ccc3ccccc32)CC1 ZINC000020358220 524349730 /nfs/dbraw/zinc/34/97/30/524349730.db2.gz XRTBSCDKCAQQQA-UHFFFAOYSA-N 1 0 453.615 5.640 50 0 JKAARO Cc1cccc(CN(C(=O)/C=C/c2ccccc2)c2ccc(CC(=O)NCC[NH+]3CCCCC3)cc2)c1 ZINC000034680128 524365218 /nfs/dbraw/zinc/36/52/18/524365218.db2.gz LUVGTRIMLVFVPM-OBGWFSINSA-N 1 0 495.667 5.386 50 0 JKAARO Cc1cccc(C[N@@H+](Cc2ccc(C(O)(c3cccs3)c3cccs3)o2)CC(C)C)c1 ZINC000036203459 524381201 /nfs/dbraw/zinc/38/12/01/524381201.db2.gz KVWLESARAALIQU-UHFFFAOYSA-N 1 0 451.657 6.653 50 0 JKAARO Cc1cccc(C[N@H+]2CC=C(c3noc(CCC(=O)Nc4ccc(Br)cc4C)n3)CC2)c1 ZINC000033069244 524385835 /nfs/dbraw/zinc/38/58/35/524385835.db2.gz HIKVPSSFRZCCIZ-UHFFFAOYSA-N 1 0 495.421 5.310 50 0 JKAARO Cc1cccc(C[NH+]2CCC(CNC(=O)c3cn(CC(C)C)c(=O)c4c3c3ccccc3n4C)CC2)c1 ZINC000004788986 524387628 /nfs/dbraw/zinc/38/76/28/524387628.db2.gz HYHPADUPZCWVLN-UHFFFAOYSA-N 1 0 498.671 5.100 50 0 JKAARO Cc1cccc(C[NH+]2CCC(O)(c3ccc4oc(C(=O)N5CCc6ccccc6C5)cc4c3)CC2)c1 ZINC000020271990 524390859 /nfs/dbraw/zinc/39/08/59/524390859.db2.gz AJRLDJMGNNNSSL-UHFFFAOYSA-N 1 0 480.608 5.423 50 0 JKAARO C[C@@H]1CCCc2sc3nc(N4CC[NH+](C(c5ccccc5)c5ccccc5)CC4)n4ncnc4c3c21 ZINC000020502268 524434294 /nfs/dbraw/zinc/43/42/94/524434294.db2.gz GDWYRYCIFZPRAR-HXUWFJFHSA-N 1 0 494.668 5.690 50 0 JKAARO Cc1ccc(C[NH+]2CCC([C@H](Cc3ccc(F)cc3F)N(C)C(=O)c3ccco3)CC2)cc1 ZINC000014878737 524440795 /nfs/dbraw/zinc/44/07/95/524440795.db2.gz SIPVJJDZDRRDPV-VWLOTQADSA-N 1 0 452.545 5.462 50 0 JKAARO COc1ccccc1C[NH+]1CCC(c2nnc(SCC3CCCCC3)n2C[C@H]2CCCO2)CC1 ZINC000012200700 524449734 /nfs/dbraw/zinc/44/97/34/524449734.db2.gz XNTUQQLBTDLLKL-XMMPIXPASA-N 1 0 484.710 5.518 50 0 JKAARO COc1ccccc1C[NH+]1CCC([C@H](Cc2ccccc2Cl)N(C)C(=O)c2ccco2)CC1 ZINC000014990830 524450418 /nfs/dbraw/zinc/45/04/18/524450418.db2.gz AIBQAKRQKMMPLH-DEOSSOPVSA-N 1 0 467.009 5.537 50 0 JKAARO Cc1cccc(Cn2c(C[NH+]3CCC(C(=O)NCc4cccc(F)c4)CC3)cc3ccccc32)c1 ZINC000046055918 524490760 /nfs/dbraw/zinc/49/07/60/524490760.db2.gz BHUIHWHWUCPFED-UHFFFAOYSA-N 1 0 469.604 5.666 50 0 JKAARO Cc1cccc(Cn2c(C[NH+]3CCC(C(=O)NCCc4ccccc4)CC3)cc3ccccc32)c1 ZINC000008602158 524490855 /nfs/dbraw/zinc/49/08/55/524490855.db2.gz PXQOWJQRNYDNKQ-UHFFFAOYSA-N 1 0 465.641 5.569 50 0 JKAARO Cc1cccc(Cn2c(C[NH+]3CCC(C(=O)N[C@@H]4CCCc5ccccc54)CC3)cc3ccccc32)c1 ZINC000046055889 524490953 /nfs/dbraw/zinc/49/09/53/524490953.db2.gz ZVFKBRSBHXBNST-WJOKGBTCSA-N 1 0 491.679 6.404 50 0 JKAARO Cc1cccc(Cn2c(C[NH+]3CCC(C(=O)NCCc4ccco4)CC3)cc3ccccc32)c1 ZINC000046055914 524491063 /nfs/dbraw/zinc/49/10/63/524491063.db2.gz ZFLFKWZXPQTNHO-UHFFFAOYSA-N 1 0 455.602 5.162 50 0 JKAARO Cc1cccc(Cn2c(C[NH+]3CCC(C(=O)NCCC4=CCCCC4)CC3)cc3ccccc32)c1 ZINC000046055899 524491082 /nfs/dbraw/zinc/49/10/82/524491082.db2.gz CNLIVRLJJZETES-UHFFFAOYSA-N 1 0 469.673 6.217 50 0 JKAARO Cc1cccc(Cn2c(C[NH+]3CCC(C(=O)N(C)Cc4ccccc4)CC3)cc3ccccc32)c1 ZINC000046055854 524491578 /nfs/dbraw/zinc/49/15/78/524491578.db2.gz YTPFWPONYIWCDH-UHFFFAOYSA-N 1 0 465.641 5.869 50 0 JKAARO Cc1ccc(CNC(=O)C2CC[NH+](Cc3cc4ccccc4n3Cc3cccc(Cl)c3)CC2)o1 ZINC000046055643 524496033 /nfs/dbraw/zinc/49/60/33/524496033.db2.gz VOVGKTCZVGWENT-UHFFFAOYSA-N 1 0 476.020 5.773 50 0 JKAARO COc1ccccc1N1CC[NH+](CC[C@@H](Oc2ccc(C(C)C)c(C)c2)c2ccccc2)CC1 ZINC000034740075 524554302 /nfs/dbraw/zinc/55/43/02/524554302.db2.gz ACPPJKMPSXURHC-GDLZYMKVSA-N 1 0 458.646 6.459 50 0 JKAARO Cc1cccc(NC(=O)C2CC[NH+](Cc3cc4ccccc4n3Cc3cccc(F)c3)CC2)c1C ZINC000046055990 524583139 /nfs/dbraw/zinc/58/31/39/524583139.db2.gz UZNHEVSROGFHIX-UHFFFAOYSA-N 1 0 469.604 6.296 50 0 JKAARO COc1ccccc1NC(=O)c1cc2cc(C3(O)CC[NH+](Cc4ccccc4F)CC3)ccc2o1 ZINC000014992854 524625236 /nfs/dbraw/zinc/62/52/36/524625236.db2.gz DQSUAODAPJGDPX-UHFFFAOYSA-N 1 0 474.532 5.316 50 0 JKAARO COc1ccccc1Oc1c(C[N@H+](C[C@@H](O)COC(C)(C)C)C(C)C)c(C)nn1-c1ccccc1 ZINC000036302029 524695786 /nfs/dbraw/zinc/69/57/86/524695786.db2.gz BJJIFRNYYVEACZ-HSZRJFAPSA-N 1 0 481.637 5.368 50 0 JKAARO COc1ccccc1Oc1c(C[N@H+](C[C@H](O)COC(C)(C)C)C2CC2)c(-c2ccccc2)nn1C ZINC000036305855 524695942 /nfs/dbraw/zinc/69/59/42/524695942.db2.gz VAUXKHJDXMXBNM-QFIPXVFZSA-N 1 0 479.621 5.028 50 0 JKAARO COc1ccccc1Oc1c(C[N@H+](CC(C)C)C[C@H](O)Cc2ccccc2)c(-c2ccccc2)nn1C ZINC000036305690 524696030 /nfs/dbraw/zinc/69/60/30/524696030.db2.gz ZCBFJHSTSSFMJM-AREMUKBSSA-N 1 0 499.655 5.950 50 0 JKAARO Cc1ccc(Cl)cc1N1CC[NH+](CCCNc2ncnc3onc(-c4ccc(F)cc4)c32)CC1 ZINC000008595286 524736001 /nfs/dbraw/zinc/73/60/01/524736001.db2.gz RPQYDNVTDQOQRT-UHFFFAOYSA-N 1 0 480.975 5.010 50 0 JKAARO Cc1ccc(Cn2c(C[NH+]3CCC(C(=O)NC[C@@H](C)c4ccccc4)CC3)cc3ccccc32)cc1 ZINC000008606999 524766778 /nfs/dbraw/zinc/76/67/78/524766778.db2.gz YHIAQUCVUFXRPK-RUZDIDTESA-N 1 0 479.668 6.130 50 0 JKAARO Cc1cccc(OCc2nc(CN(CC[NH+]3CCCCC3)C(=O)C3CCCC3)cs2)c1C ZINC000036116603 524767105 /nfs/dbraw/zinc/76/71/05/524767105.db2.gz GCPRZTKAGZMPHW-UHFFFAOYSA-N 1 0 455.668 5.344 50 0 JKAARO Cc1cccc(Oc2c(C[N@H+](C[C@@H](O)COC(C)(C)C)CC3CC3)c(-c3ccccc3)nn2C)c1 ZINC000036306594 524782962 /nfs/dbraw/zinc/78/29/62/524782962.db2.gz MJQVEKTYVMKXDX-XMMPIXPASA-N 1 0 477.649 5.576 50 0 JKAARO Cc1cccc(Oc2c(C[N@H+](C[C@H](O)COc3ccccc3)C3CC3)c(-c3ccccc3)nn2C)c1 ZINC000036306425 524784407 /nfs/dbraw/zinc/78/44/07/524784407.db2.gz TWZCAZDMMQZUHL-VWLOTQADSA-N 1 0 483.612 5.592 50 0 JKAARO Cc1cccc(Oc2c(C[N@H+](C[C@@H](O)COC(C)C)CC3CC3)c(-c3ccccc3)nn2C)c1 ZINC000036306552 524784522 /nfs/dbraw/zinc/78/45/22/524784522.db2.gz BVCAIEBBWDWKGC-XMMPIXPASA-N 1 0 463.622 5.186 50 0 JKAARO Cc1cccc(Oc2c(C[N@H+](C[C@@H](O)Cc3ccccc3)CC3CC3)c(-c3ccccc3)nn2C)c1 ZINC000036306563 524786070 /nfs/dbraw/zinc/78/60/70/524786070.db2.gz HUUMSVVXZALPHA-MHZLTWQESA-N 1 0 481.640 6.003 50 0 JKAARO COc1ccc(OC)c(C(=O)c2ccc(C(=O)N3CCC[C@@H]4C[N@H+](Cc5ccccc5)CC[C@@H]43)cc2)c1 ZINC000012512298 524810062 /nfs/dbraw/zinc/81/00/62/524810062.db2.gz VOYUYEHLVUESMV-NAKRPHOHSA-N 1 0 498.623 5.062 50 0 JKAARO Cc1ccc(F)cc1NC(=O)COc1ccc(-c2ccc3c(c2)OCO3)cc1C[N@H+]1CCC[C@H](C)C1 ZINC000014991448 524856641 /nfs/dbraw/zinc/85/66/41/524856641.db2.gz PCRVGHCVRUZNRJ-IBGZPJMESA-N 1 0 490.575 5.779 50 0 JKAARO C[C@H](NC(=O)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccccc2)CC1)c1ccccc1 ZINC000046055445 524910961 /nfs/dbraw/zinc/91/09/61/524910961.db2.gz VLZMATFDLGHYDW-QHCPKHFHSA-N 1 0 451.614 5.779 50 0 JKAARO Cc1cccc2c(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc(-c3ccc(Cl)cc3)nc12 ZINC000020418363 524930384 /nfs/dbraw/zinc/93/03/84/524930384.db2.gz KVWGUPNFWBGGLB-UHFFFAOYSA-N 1 0 470.016 6.258 50 0 JKAARO COc1ccc(Oc2c(C[N@H+](C[C@H](O)COC(C)(C)C)C(C)C)c(-c3ccccc3)nn2C)cc1 ZINC000036306118 524988975 /nfs/dbraw/zinc/98/89/75/524988975.db2.gz VRLDTLHZHNLWME-QFIPXVFZSA-N 1 0 481.637 5.274 50 0 JKAARO COc1ccc(Oc2c(C[N@H+](C[C@@H](O)COC(C)(C)C)CC3CC3)c(C)nn2-c2ccccc2)cc1 ZINC000036304643 524989738 /nfs/dbraw/zinc/98/97/38/524989738.db2.gz OAPPLRFJVWIXOO-XMMPIXPASA-N 1 0 493.648 5.370 50 0 JKAARO COc1ccc(Oc2c(C[N@H+](CC(C)C)C[C@@H](O)Cc3ccccc3)c(C)nn2-c2ccccc2)cc1 ZINC000036302364 524990076 /nfs/dbraw/zinc/99/00/76/524990076.db2.gz BGAWGACCBAHLLR-MHZLTWQESA-N 1 0 499.655 6.043 50 0 JKAARO COc1ccc(Oc2c(C[N@H+](CC(C)C)C[C@@H](O)C(C)C)c(-c3ccccc3)nn2C)cc1 ZINC000036305942 524990397 /nfs/dbraw/zinc/99/03/97/524990397.db2.gz AJYUOZRTDPVYTB-RUZDIDTESA-N 1 0 451.611 5.363 50 0 JKAARO Cc1ccc(NC(=O)C2CC[NH+](Cc3cc4ccccc4n3Cc3ccc(Cl)cc3)CC2)cc1C ZINC000046055513 525025741 /nfs/dbraw/zinc/02/57/41/525025741.db2.gz ZKEKDFSXKYJPBX-UHFFFAOYSA-N 1 0 486.059 6.811 50 0 JKAARO Cc1ccc(NC(=O)C2CC[NH+](Cc3cc4ccccc4n3Cc3ccccc3Cl)CC2)cc1C ZINC000046055713 525026829 /nfs/dbraw/zinc/02/68/29/525026829.db2.gz RVMAEMIDGLVCFU-UHFFFAOYSA-N 1 0 486.059 6.811 50 0 JKAARO Cc1ccccc1C1=NO[C@H](C[N@@H+](Cc2cccc(Cl)c2)C[C@H](O)COCc2ccccc2)C1 ZINC000036145792 525085424 /nfs/dbraw/zinc/08/54/24/525085424.db2.gz OVTBGHDYMHFNQI-UIOOFZCWSA-N 1 0 479.020 5.221 50 0 JKAARO Cc1ccc(NC(=O)Cn2cc(-c3nnc(C[NH+]4CCC(C)CC4)o3)c3ccccc32)c(C)c1 ZINC000033129373 525101605 /nfs/dbraw/zinc/10/16/05/525101605.db2.gz RSTAQOWWNDKMLL-UHFFFAOYSA-N 1 0 457.578 5.179 50 0 JKAARO Cc1ccccc1Cn1c(C[NH+]2CCC(C(=O)NC3CCCCCCC3)CC2)cc2ccccc21 ZINC000046055777 525209222 /nfs/dbraw/zinc/20/92/22/525209222.db2.gz MMIVGEHMANLQPF-UHFFFAOYSA-N 1 0 471.689 6.439 50 0 JKAARO Cc1ccccc1Cn1c(C[NH+]2CCC(C(=O)N[C@H](C)Cc3ccco3)CC2)cc2ccccc21 ZINC000046055833 525209911 /nfs/dbraw/zinc/20/99/11/525209911.db2.gz PTRCISMFFSEGET-HSZRJFAPSA-N 1 0 469.629 5.550 50 0 JKAARO Cc1[nH]c2ccc(NC(=O)c3ccccc3Cl)cc2c1[C@H](c1ccccn1)[NH+]1CCCCC1 ZINC000021659653 525431325 /nfs/dbraw/zinc/43/13/25/525431325.db2.gz NJUFYZDCKJIQRY-SANMLTNESA-N 1 0 458.993 6.352 50 0 JKAARO COc1ccc2[nH]cc(CCNC(=O)c3ccccc3SC[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)c2c1 ZINC000033435702 525492099 /nfs/dbraw/zinc/49/20/99/525492099.db2.gz GJAYETZNERUDBM-LVXARBLLSA-N 1 0 477.674 5.506 50 0 JKAARO COc1ccc2[nH]cc(CCNC(=O)c3ccccc3SC[C@H]3CCC[N@@H+]4CCCC[C@H]34)c2c1 ZINC000036056944 525494975 /nfs/dbraw/zinc/49/49/75/525494975.db2.gz GJAYETZNERUDBM-QFQXNSOFSA-N 1 0 477.674 5.506 50 0 JKAARO Cc1cc2c(-c3ccccc3)c(-c3ccccc3)n(C[C@@H](O)C[NH2+]CCc3ccccc3)c2c(C)c1 ZINC000002083429 525586231 /nfs/dbraw/zinc/58/62/31/525586231.db2.gz SKGRWPWBPUVWDS-LJAQVGFWSA-N 1 0 474.648 6.785 50 0 JKAARO COc1ccc2c(c1)[nH]c(C(=O)NCCC[N@H+](C)C1CCCCC1)c2Sc1ccccc1 ZINC000020466801 525597848 /nfs/dbraw/zinc/59/78/48/525597848.db2.gz MJSMLOGMHOFFLC-UHFFFAOYSA-N 1 0 451.636 5.712 50 0 JKAARO Cc1c(C(=O)NCCC[N@H+]2[C@H](C)CCC[C@@H]2C)oc2ccc3c(c12)[C@@H](O)CC1(CCCCC1)O3 ZINC000008912095 525608956 /nfs/dbraw/zinc/60/89/56/525608956.db2.gz QTJSTJWVVPXYCA-ZVDOUQERSA-N 1 0 468.638 5.643 50 0 biogenic JKAARO Cc1c(C(=O)NCCC[NH+]2CCCCC2)oc2ccc3c(c12)C(=O)C[C@@](C)(c1ccc(F)cc1)O3 ZINC000020418207 525609027 /nfs/dbraw/zinc/60/90/27/525609027.db2.gz KVEZIOZROVGXLY-NDEPHWFRSA-N 1 0 478.564 5.367 50 0 JKAARO Cc1c(C(=O)NCCC[NH+]2CCCCC2)oc2ccc3c(c12)C(=O)C[C@](C)(c1ccc(F)cc1)O3 ZINC000020418204 525609219 /nfs/dbraw/zinc/60/92/19/525609219.db2.gz KVEZIOZROVGXLY-MUUNZHRXSA-N 1 0 478.564 5.367 50 0 JKAARO COc1ccc2ccccc2c1C[N@@H+]1C[C@H](Sc2ccc(F)cc2)C[C@H]1C(=O)NC1CC1 ZINC000014992984 525651014 /nfs/dbraw/zinc/65/10/14/525651014.db2.gz UITRUHSMAPZZPK-QPPBQGQZSA-N 1 0 450.579 5.001 50 0 JKAARO Cc1ccc([C@@H](C)CC[NH+]2CCC3(CC2)C(=O)N(CCCc2ccncc2)C(=O)N3CCC(C)C)o1 ZINC000014746078 525680689 /nfs/dbraw/zinc/68/06/89/525680689.db2.gz QPGRCARCVOZWCF-QHCPKHFHSA-N 1 0 494.680 5.254 50 0 JKAARO Cc1ccc(-c2c3ccccc3c(=O)oc2C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000020211563 525712590 /nfs/dbraw/zinc/71/25/90/525712590.db2.gz ADEADFGWYRWFNB-UHFFFAOYSA-N 1 0 452.554 5.163 50 0 JKAARO COc1cccc(-c2ccccc2NC(=O)C2CC[NH+](Cc3cccc4cccnc43)CC2)c1 ZINC000012314515 525716034 /nfs/dbraw/zinc/71/60/34/525716034.db2.gz VVJLCGYKGLHXIZ-UHFFFAOYSA-N 1 0 451.570 5.761 50 0 JKAARO Cc1ccc(-c2cc(Nc3cccc(C(=O)NC4CC[NH+](Cc5ccccc5)CC4)c3)ncn2)cc1 ZINC000033261023 525737535 /nfs/dbraw/zinc/73/75/35/525737535.db2.gz DYHYYQSJUKEQEM-UHFFFAOYSA-N 1 0 477.612 5.590 50 0 JKAARO Cc1c(Cl)cccc1NC(=O)C1CC[NH+](Cc2cc3ccccc3n2Cc2cccc(F)c2)CC1 ZINC000046056008 525761057 /nfs/dbraw/zinc/76/10/57/525761057.db2.gz RBYBQWGNMWRUSG-UHFFFAOYSA-N 1 0 490.022 6.641 50 0 JKAARO Cc1ccsc1C(=O)N1CCC[C@@H](COc2ccc(C[N@H+](C)CCc3ccccc3)cc2)C1 ZINC000014988001 525818921 /nfs/dbraw/zinc/81/89/21/525818921.db2.gz CWHZZLFQAFVNPQ-RUZDIDTESA-N 1 0 462.659 5.662 50 0 JKAARO Cc1ccsc1C(=O)N1CCC[C@H](COc2ccc(C[N@H+](C)CCc3ccccc3)cc2)C1 ZINC000014988005 525821856 /nfs/dbraw/zinc/82/18/56/525821856.db2.gz CWHZZLFQAFVNPQ-VWLOTQADSA-N 1 0 462.659 5.662 50 0 JKAARO Cc1ccc([C@H](C)CC[NH+]2CCC3(CC2)C(=O)N(CCCc2ccncc2)C(=O)N3CCC(C)C)o1 ZINC000014746077 525875092 /nfs/dbraw/zinc/87/50/92/525875092.db2.gz QPGRCARCVOZWCF-HSZRJFAPSA-N 1 0 494.680 5.254 50 0 JKAARO Cc1ccc([C@H](C)CC[NH+]2CCC3(CC2)C(=O)N(CC(C)C)C(=O)N3Cc2ccccc2)o1 ZINC000014743644 525876554 /nfs/dbraw/zinc/87/65/54/525876554.db2.gz KVVINRUJOMAAJH-OAQYLSRUSA-N 1 0 451.611 5.037 50 0 JKAARO COc1cccc(C[NH+]2CCC(N(c3ccc(C)cc3)S(=O)(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000037570674 525932093 /nfs/dbraw/zinc/93/20/93/525932093.db2.gz COCXCFSULXTGOU-UHFFFAOYSA-N 1 0 485.049 5.517 50 0 JKAARO COc1cccc(C[C@H](C2CC[NH+](CC[C@@H](C)c3ccccc3)CC2)N(C)C(=O)c2ccccn2)c1 ZINC000014882342 526076928 /nfs/dbraw/zinc/07/69/28/526076928.db2.gz ADYRIJXXZTVRRX-AYWVHJORSA-N 1 0 485.672 5.679 50 0 JKAARO C[C@@H](c1ccccc1)N(Cc1nc(C(=O)NCC[NH+](C)C)co1)Cc1cccc(Oc2ccccc2)c1 ZINC000036072161 526090942 /nfs/dbraw/zinc/09/09/42/526090942.db2.gz QEGUXCRWGQWMJB-QHCPKHFHSA-N 1 0 498.627 5.522 50 0 JKAARO C[C@H](c1ccccc1)N(Cc1nc(C(=O)NCC[NH+](C)C)co1)Cc1cccc(Oc2ccccc2)c1 ZINC000036072162 526093902 /nfs/dbraw/zinc/09/39/02/526093902.db2.gz QEGUXCRWGQWMJB-HSZRJFAPSA-N 1 0 498.627 5.522 50 0 JKAARO Cc1ccc(C(=O)NC[C@@H](C)Oc2ccc(C[N@H+](C)Cc3ccc4ncccc4c3)cc2)s1 ZINC000012243651 526171782 /nfs/dbraw/zinc/17/17/82/526171782.db2.gz NTJIFPXGOFHBEJ-LJQANCHMSA-N 1 0 459.615 5.434 50 0 JKAARO Cc1ccc(C(=O)NC[C@H](C)Oc2ccc(C[N@H+](C)Cc3ccc4ncccc4c3)cc2)s1 ZINC000012243650 526179845 /nfs/dbraw/zinc/17/98/45/526179845.db2.gz NTJIFPXGOFHBEJ-IBGZPJMESA-N 1 0 459.615 5.434 50 0 JKAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000012491109 526193551 /nfs/dbraw/zinc/19/35/51/526193551.db2.gz BKJKUXDFLNNHRO-RPLLCQBOSA-N 1 0 483.015 5.949 50 0 JKAARO Cc1ccc2c(c1)[nH]c(C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c2Sc1ccc(Cl)cc1 ZINC000020466738 526215049 /nfs/dbraw/zinc/21/50/49/526215049.db2.gz KXAKMMOGFVFSKS-KDURUIRLSA-N 1 0 470.082 6.379 50 0 JKAARO Cc1ccc2c(c1)[nH]c(C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1)c2Sc1ccc(Cl)cc1 ZINC000020466744 526215136 /nfs/dbraw/zinc/21/51/36/526215136.db2.gz KXAKMMOGFVFSKS-OALUTQOASA-N 1 0 470.082 6.379 50 0 JKAARO Cc1ccc2nc(-c3ccc(C)c(C)c3)cc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)c2c1 ZINC000020407651 526240976 /nfs/dbraw/zinc/24/09/76/526240976.db2.gz JMMIEZWDADVXAV-UHFFFAOYSA-N 1 0 463.625 6.221 50 0 JKAARO COc1cccc(Oc2c(C[N@H+](CC(C)C)C[C@@H](O)COC(C)(C)C)c(-c3ccccc3)nn2C)c1 ZINC000036305295 526241440 /nfs/dbraw/zinc/24/14/40/526241440.db2.gz KAJXPQUCDKCTID-HSZRJFAPSA-N 1 0 495.664 5.522 50 0 JKAARO COc1cccc(Oc2c(C[N@H+](C[C@@H](O)COC(C)(C)C)C3CC3)c(-c3ccccc3)nn2C)c1 ZINC000036305498 526241494 /nfs/dbraw/zinc/24/14/94/526241494.db2.gz UBLUOASKGDDVAZ-JOCHJYFZSA-N 1 0 479.621 5.028 50 0 JKAARO C[C@H]1CCCC[N@@H+]1CC(=O)Nc1nc(-c2ccc(Cl)cc2)cc(-c2ccc(Cl)cc2)n1 ZINC000021659441 526244909 /nfs/dbraw/zinc/24/49/09/526244909.db2.gz YVRMSQBXAKLXSL-INIZCTEOSA-N 1 0 455.389 5.930 50 0 JKAARO C[C@H]1CCCCN1c1onc(-c2ccccc2)c1CN(CC[NH+](C)C)C(=O)c1ccccc1F ZINC000036312853 526253585 /nfs/dbraw/zinc/25/35/85/526253585.db2.gz CIGZWXJNWWAZKJ-FQEVSTJZSA-N 1 0 464.585 5.064 50 0 JKAARO Cc1ccc(C)c(-c2csc3[nH]c(C[N@@H+](C[C@H](O)COCC(C)C)C4CCCCC4)nc(=O)c23)c1 ZINC000036206525 526256658 /nfs/dbraw/zinc/25/66/58/526256658.db2.gz MEVVNMZLQIEJJU-QFIPXVFZSA-N 1 0 497.705 5.437 50 0 JKAARO O[C@H](COCc1ccccc1)C[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146315 526285995 /nfs/dbraw/zinc/28/59/95/526285995.db2.gz OINASEFJJGMISZ-UIOOFZCWSA-N 1 0 482.983 5.052 50 0 JKAARO O=C(NCC[NH+]1CCCCC1)c1ccc(Oc2nccnc2Sc2ccc(Cl)cc2)cc1 ZINC000033139890 526308511 /nfs/dbraw/zinc/30/85/11/526308511.db2.gz BSQBXQXBPLILJD-UHFFFAOYSA-N 1 0 469.010 5.289 50 0 JKAARO O[C@]1(c2ccc(Br)cc2)CN(c2cccc(C(F)(F)F)c2)C2=[N+]1CCCCC2 ZINC000004531413 526321049 /nfs/dbraw/zinc/32/10/49/526321049.db2.gz VOKMVWIOJGOVLC-FQEVSTJZSA-N 1 0 454.310 5.118 50 0 JKAARO Fc1ccc(CSc2nnc(C3CC[NH+](Cc4ccco4)CC3)n2Cc2ccccc2)cc1 ZINC000012457367 526344830 /nfs/dbraw/zinc/34/48/30/526344830.db2.gz XDYSMJJXEPYDJX-UHFFFAOYSA-N 1 0 462.594 5.730 50 0 JKAARO O=C(NCCc1ccc(Cl)cc1)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccccc2)CC1 ZINC000008602079 526402544 /nfs/dbraw/zinc/40/25/44/526402544.db2.gz DHHOJQPCUJNHCZ-UHFFFAOYSA-N 1 0 486.059 5.914 50 0 JKAARO O=C(NCCc1ccccc1)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000046055948 526422183 /nfs/dbraw/zinc/42/21/83/526422183.db2.gz JYUGJNBLDVAHIR-UHFFFAOYSA-N 1 0 469.604 5.400 50 0 JKAARO O=C(CCCCC[NH+]1CCN(c2ccccc2-c2ccccc2)CC1)N[C@@H]1CCCc2ccccc21 ZINC000014975987 526424123 /nfs/dbraw/zinc/42/41/23/526424123.db2.gz NMZIDFFHGCRAJV-SSEXGKCCSA-N 1 0 481.684 6.230 50 0 in-vitro JKAARO c1ccc(Cn2c(SC[C@H]3CCCO3)nnc2C2CC[NH+](Cc3ccc4ncccc4c3)CC2)cc1 ZINC000012247334 526479817 /nfs/dbraw/zinc/47/98/17/526479817.db2.gz BDEDBQYGCZMRFB-AREMUKBSSA-N 1 0 499.684 5.525 50 0 JKAARO O=C(CC[N@@H+]1Cc2ccccc2O[C@H](c2ccccc2F)C1)N1CCCC[C@@H]1c1cccnc1 ZINC000014992035 526496457 /nfs/dbraw/zinc/49/64/57/526496457.db2.gz WSNTXTHLXWKACR-VPUSJEBWSA-N 1 0 459.565 5.300 50 0 JKAARO c1csc(-c2csc3ncnc(N4CC[NH+](C(c5ccccc5)c5ccccc5)CC4)c23)c1 ZINC000020442114 526573997 /nfs/dbraw/zinc/57/39/97/526573997.db2.gz ZLVKLBXLQXNGLR-UHFFFAOYSA-N 1 0 468.651 6.331 50 0 JKAARO c1csc(C[NH+]2CCC(c3nnc(SCc4cccnc4)n3Cc3ccccc3)CC2)c1 ZINC000012204657 526578793 /nfs/dbraw/zinc/57/87/93/526578793.db2.gz DZZXDKPKLLZHOI-UHFFFAOYSA-N 1 0 461.660 5.455 50 0 JKAARO Cc1nc(-c2ccccc2Cl)nc2sc(C(=O)N3CCCC3)c(OCC[NH+]3CCCC3)c21 ZINC000012408379 526606167 /nfs/dbraw/zinc/60/61/67/526606167.db2.gz YUMNIJFTUZBARJ-UHFFFAOYSA-N 1 0 471.026 5.031 50 0 JKAARO c1sc(-c2ccc3c(c2)OCO3)nc1CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020509578 526628590 /nfs/dbraw/zinc/62/85/90/526628590.db2.gz DTJXBHVYTDITEV-UHFFFAOYSA-N 1 0 469.610 5.446 50 0 JKAARO O=C(NCc1cccc(F)c1)C1CC[NH+](Cc2cc3ccccc3n2Cc2cccc(F)c2)CC1 ZINC000046056076 526717403 /nfs/dbraw/zinc/71/74/03/526717403.db2.gz UERPAJMTRFQHET-UHFFFAOYSA-N 1 0 473.567 5.496 50 0 JKAARO Cc1oc(-c2cccc(Cl)c2)nc1C[N@@H+]1CCC[C@@H](C(=O)NCCc2ccc(C)cc2)C1 ZINC000008597877 526734252 /nfs/dbraw/zinc/73/42/52/526734252.db2.gz YHFMHOLLOBBGQA-JOCHJYFZSA-N 1 0 451.998 5.183 50 0 JKAARO O=C(NCc1cccs1)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000046055964 526780805 /nfs/dbraw/zinc/78/08/05/526780805.db2.gz XHJFLSQVOGTZOI-UHFFFAOYSA-N 1 0 461.606 5.419 50 0 JKAARO O=C(NCc1cccs1)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccccc2Cl)CC1 ZINC000046055725 526781647 /nfs/dbraw/zinc/78/16/47/526781647.db2.gz SOKCCZCYWACXPX-UHFFFAOYSA-N 1 0 478.061 5.933 50 0 JKAARO Cc1occc1C(=O)N(C)[C@@H](Cc1ccccc1F)C1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000014982048 526800752 /nfs/dbraw/zinc/80/07/52/526800752.db2.gz PPJBVYKXYQVSJJ-VWLOTQADSA-N 1 0 478.564 5.051 50 0 JKAARO O=C(c1cccnc1)N1CCC[C@@H](COc2cccc(C[NH+]3CCC(Cc4ccccc4)CC3)c2)C1 ZINC000014954533 526817768 /nfs/dbraw/zinc/81/77/68/526817768.db2.gz SFDRGJUCFVUNKN-MUUNZHRXSA-N 1 0 483.656 5.468 50 0 JKAARO O=C(c1ccco1)N1CCC[C@@H](COc2ccc(C[NH+]3CCC(c4ccccc4)CC3)cc2)C1 ZINC000012282462 526827161 /nfs/dbraw/zinc/82/71/61/526827161.db2.gz CGAKWVWNTOWMGA-XMMPIXPASA-N 1 0 458.602 5.590 50 0 JKAARO O=C(c1cccs1)N1CCC[C@@H](COc2ccc(C[NH+]3CCC(c4ccccc4)CC3)cc2)C1 ZINC000014990838 526836115 /nfs/dbraw/zinc/83/61/15/526836115.db2.gz MLJHIPJDIZQFCL-XMMPIXPASA-N 1 0 474.670 6.059 50 0 JKAARO O=C(c1cccs1)N1C[C@H](C[NH+]2CCC(Cc3ccccc3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000034698260 526837546 /nfs/dbraw/zinc/83/75/46/526837546.db2.gz FMYVTWIKZXPOTP-AZGAKELHSA-N 1 0 462.634 5.698 50 0 JKAARO [NH2+]=C1Nc2nc3ccccc3n2[C@H](c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)N1 ZINC000013945524 526839370 /nfs/dbraw/zinc/83/93/70/526839370.db2.gz VZTIJZIBDPUEON-HHHXNRCGSA-N 1 0 475.552 5.691 50 0 JKAARO O=C(C[NH2+]CCc1ccccc1)Nc1sc2c(c1C(=O)Nc1ccc(Br)cc1)CCC2 ZINC000003000319 526881047 /nfs/dbraw/zinc/88/10/47/526881047.db2.gz USHBLGUFEOZEIZ-UHFFFAOYSA-N 1 0 498.446 5.022 50 0 JKAARO Clc1ccc(COc2ccc(Cl)cc2C[NH2+]Cc2ccc3c(c2)OCO3)c(Cl)c1 ZINC000016431133 526951128 /nfs/dbraw/zinc/95/11/28/526951128.db2.gz ZHYHJAOQJIVOJA-UHFFFAOYSA-N 1 0 450.749 6.244 50 0 JKAARO Cc1nc([C@@H](C)[NH2+]C2CCN(c3ccc(NC(=O)Cc4cccc(F)c4)cc3)CC2)cs1 ZINC000014993329 527031267 /nfs/dbraw/zinc/03/12/67/527031267.db2.gz CYNGRUGHBLIXCC-QGZVFWFLSA-N 1 0 452.599 5.091 50 0 JKAARO O=S(=O)(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(-c2cnc(C3CCCC3)o2)s1 ZINC000065004802 527209009 /nfs/dbraw/zinc/20/90/09/527209009.db2.gz WIFWTIXTBLQVIR-UHFFFAOYSA-N 1 0 471.648 5.004 50 0 JKAARO O=S(=O)(c1ccccc1)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000034683677 527287639 /nfs/dbraw/zinc/28/76/39/527287639.db2.gz DTYBZCOHZIGBGL-UHFFFAOYSA-N 1 0 492.538 5.704 50 0 JKAARO O=C(Cn1cc(-c2nnc(C[NH+]3CCCCC3)o2)c2ccccc21)Nc1ccc(OC(F)(F)F)cc1 ZINC000033129345 527364851 /nfs/dbraw/zinc/36/48/51/527364851.db2.gz QSIFAPMIYUFEMU-UHFFFAOYSA-N 1 0 499.493 5.215 50 0 JKAARO O=c1c2c(ncn1Cc1ccccc1)sc1c2CC[C@@H]([NH2+]Cc2cccc(C(F)(F)F)c2)C1 ZINC000019810375 527457578 /nfs/dbraw/zinc/45/75/78/527457578.db2.gz OKLLPXYUQZFFHP-LJQANCHMSA-N 1 0 469.532 5.172 50 0 JKAARO O=c1c2c3c(sc2ncn1CCCc1ccccc1)C[C@H]([NH2+]Cc1cc(-c2ccccc2)on1)CC3 ZINC000014879035 527459752 /nfs/dbraw/zinc/45/97/52/527459752.db2.gz QBVGFKYMFKGEFQ-JOCHJYFZSA-N 1 0 496.636 5.393 50 0 JKAARO O=c1c2c3c(sc2ncn1CCc1c[nH]c2ccccc12)C[C@@H]([NH2+]Cc1cccc(F)c1F)CC3 ZINC000020452434 527460518 /nfs/dbraw/zinc/46/05/18/527460518.db2.gz HUWOEWLDNSQYNO-SFHVURJKSA-N 1 0 490.579 5.107 50 0 JKAARO O=c1c2c3c(sc2ncn1CCCc1ccccc1)C[C@@H]([NH2+]Cc1nc2ccccc2s1)CC3 ZINC000014878716 527460919 /nfs/dbraw/zinc/46/09/19/527460919.db2.gz DYKDSBLLBRTXIM-IBGZPJMESA-N 1 0 486.666 5.348 50 0 JKAARO O=C(NC1CC1)[C@@H]1C[C@H](Sc2nc3ccccc3[nH]2)C[N@@H+]1Cc1ccc(-c2ccccc2)cc1 ZINC000012246604 527491144 /nfs/dbraw/zinc/49/11/44/527491144.db2.gz CGEUXIVNSSOJCS-OZXSUGGESA-N 1 0 468.626 5.244 50 0 JKAARO O=C(NC1CCCCCC1)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1 ZINC000046055497 527517839 /nfs/dbraw/zinc/51/78/39/527517839.db2.gz NLPJOLZKOHPXBQ-UHFFFAOYSA-N 1 0 478.080 6.394 50 0 JKAARO Cc1nn(-c2ccc(C)c(C)c2)c2nc(C)c(CCC(=O)N3CCC([NH+]4CCCCC4)CC3)c(C)c12 ZINC000020282934 527521120 /nfs/dbraw/zinc/52/11/20/527521120.db2.gz NXQPGQROWWVCSJ-UHFFFAOYSA-N 1 0 487.692 5.372 50 0 JKAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cc(-c2cccc(Cl)c2)nc2ccccc21 ZINC000020522483 527530540 /nfs/dbraw/zinc/53/05/40/527530540.db2.gz LGCVGWRZMVHODK-UHFFFAOYSA-N 1 0 455.989 5.950 50 0 JKAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cccc(Nc2cc(-c3ccccc3)ncn2)c1 ZINC000033261112 527531247 /nfs/dbraw/zinc/53/12/47/527531247.db2.gz IDBHRZCWUKHFGI-UHFFFAOYSA-N 1 0 463.585 5.282 50 0 JKAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cc(-c2ccc3c(c2)OCCO3)nc2ccccc21 ZINC000020522481 527531513 /nfs/dbraw/zinc/53/15/13/527531513.db2.gz PEUPXOSRVFBKIL-UHFFFAOYSA-N 1 0 479.580 5.067 50 0 JKAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(-c2nccc(Oc3ccccc3)n2)cc1 ZINC000033130432 527531576 /nfs/dbraw/zinc/53/15/76/527531576.db2.gz DPAOOOXZKFAFRF-UHFFFAOYSA-N 1 0 464.569 5.330 50 0 JKAARO Cn1nc(-c2ccccc2)c(C[N@H+](C[C@@H](O)COC(C)(C)C)CC2CC2)c1Oc1ccc(Cl)cc1 ZINC000036305236 527536351 /nfs/dbraw/zinc/53/63/51/527536351.db2.gz CNQYJNPVBJZLOQ-HSZRJFAPSA-N 1 0 498.067 5.921 50 0 JKAARO Cn1nc(-c2ccccc2)c(C[N@H+](C[C@H](O)Cc2ccccc2)C2CC2)c1Oc1cccc(F)c1 ZINC000036307101 527538337 /nfs/dbraw/zinc/53/83/37/527538337.db2.gz DNACOQBMVFKDBL-RUZDIDTESA-N 1 0 471.576 5.587 50 0 JKAARO Cn1nc(-c2ccccc2)c(C[N@H+](C[C@H](O)Cc2ccccc2)CC2CC2)c1Oc1cccc(F)c1 ZINC000036307298 527538570 /nfs/dbraw/zinc/53/85/70/527538570.db2.gz QWGZUUXTAWFMCO-AREMUKBSSA-N 1 0 485.603 5.834 50 0 JKAARO Cn1nc(-c2ccccc2)c(C[N@H+](C[C@H](O)Cc2ccccc2)CC2CC2)c1Oc1ccc(F)cc1 ZINC000036307775 527538676 /nfs/dbraw/zinc/53/86/76/527538676.db2.gz NXNPEDUNMQAMML-AREMUKBSSA-N 1 0 485.603 5.834 50 0 JKAARO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCc1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000022663049 527544333 /nfs/dbraw/zinc/54/43/33/527544333.db2.gz LQXGBROHFPSEQN-SEJPIABJSA-N 1 0 470.457 5.692 50 0 JKAARO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCc1ccc(F)cc1)c1c(Cl)cc(Cl)cc1Cl ZINC000022649413 527544837 /nfs/dbraw/zinc/54/48/37/527544837.db2.gz PXNOQFSXRVIWGH-AYHJJNSGSA-N 1 0 455.788 5.754 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1C[N@@H+](C[C@H](O)c1ccccc1)C(C)C ZINC000036304085 527548458 /nfs/dbraw/zinc/54/84/58/527548458.db2.gz AJEJNEDOVVXEOK-SANMLTNESA-N 1 0 477.555 6.195 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1C[N@H+](C[C@@H](O)COC(C)C)CC1CC1 ZINC000036304260 527549538 /nfs/dbraw/zinc/54/95/38/527549538.db2.gz HBOCDSWJKLFJOM-HSZRJFAPSA-N 1 0 485.575 5.249 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1C[N@@H+](C[C@@H](O)COC(C)(C)C)C(C)C ZINC000036304118 527549565 /nfs/dbraw/zinc/54/95/65/527549565.db2.gz MYUBMWHAOHVOHS-JOCHJYFZSA-N 1 0 487.591 5.638 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1C[N@@H+](C[C@@H](O)COC(C)C)C(C)C ZINC000036304753 527550127 /nfs/dbraw/zinc/55/01/27/527550127.db2.gz YDMZARPNCADMRN-XMMPIXPASA-N 1 0 451.611 5.278 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1C[N@H+](C[C@@H](O)COC(C)(C)C)CC1CC1 ZINC000036304921 527550338 /nfs/dbraw/zinc/55/03/38/527550338.db2.gz YXADIAHPMVHFAV-RUZDIDTESA-N 1 0 477.649 5.669 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@H+](C[C@@H](O)COC(C)(C)C)CC1CC1 ZINC000036308679 527550728 /nfs/dbraw/zinc/55/07/28/527550728.db2.gz AEJUVXCVKOKZHF-XMMPIXPASA-N 1 0 463.622 5.361 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1C[N@H+](C[C@H](O)Cc1ccccc1)CC1CC1 ZINC000036304898 527551070 /nfs/dbraw/zinc/55/10/70/527551070.db2.gz HKNTUQHQLFCKCW-MUUNZHRXSA-N 1 0 481.640 6.097 50 0 JKAARO OCCOc1cccc(C[NH+]2CCC(c3nc(C(F)(F)F)ncc3-c3cccc(F)c3)CC2)c1 ZINC000014960462 527558993 /nfs/dbraw/zinc/55/89/93/527558993.db2.gz UVKMVLIBNWZUKF-UHFFFAOYSA-N 1 0 475.486 5.052 50 0 JKAARO O=C(NCC1(c2ccccc2)CCCC1)[C@H]1CC12CC[NH+](Cc1ccc(O)c(Cl)c1)CC2 ZINC000014881437 527584362 /nfs/dbraw/zinc/58/43/62/527584362.db2.gz NBUAODJGHRUUEZ-JOCHJYFZSA-N 1 0 453.026 5.276 50 0 JKAARO O=C(NCC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1sc2ncccc2c1-n1cccc1 ZINC000033059862 527609241 /nfs/dbraw/zinc/60/92/41/527609241.db2.gz HUUNFFISBPWNHM-UHFFFAOYSA-N 1 0 465.022 5.382 50 0 JKAARO O=C(NCCC1=CCCCC1)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccccc2)CC1 ZINC000046055461 527623201 /nfs/dbraw/zinc/62/32/01/527623201.db2.gz XVAIHDUVKUTBER-UHFFFAOYSA-N 1 0 455.646 5.908 50 0 JKAARO O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)NC1CC[NH+](C2CC2)CC1 ZINC000009962035 527645423 /nfs/dbraw/zinc/64/54/23/527645423.db2.gz SROWUEQNOISKCM-JLHYYAGUSA-N 1 0 452.558 5.042 50 0 JKAARO FC(F)(F)c1cc(/C=C\c2noc(-c3cccc(C[NH+]4CCCC4)c3)n2)cc(C(F)(F)F)c1 ZINC000008616535 527679254 /nfs/dbraw/zinc/67/92/54/527679254.db2.gz MWEKFJJUOYBHQB-SREVYHEPSA-N 1 0 467.413 6.540 50 0 JKAARO FC(F)(F)c1cc(/C=C\c2noc(-c3ccccc3C[NH+]3CCCC3)n2)cc(C(F)(F)F)c1 ZINC000008616534 527679335 /nfs/dbraw/zinc/67/93/35/527679335.db2.gz NTVZMUXJSBXKDU-FPLPWBNLSA-N 1 0 467.413 6.540 50 0 JKAARO COc1ccccc1[C@H]1Oc2ccccc2C2=C1[C@@H](c1ccc(Br)cc1)N1NC=NC1=N2 ZINC000000638020 553722080 /nfs/dbraw/zinc/72/20/80/553722080.db2.gz KGSBSEOZVAQGOR-DNQXCXABSA-N 1 0 487.357 5.262 50 0 JKAARO CC(=O)c1c(-c2ccc(Br)cc2)nc2n(CC[NH+]3CCCCC3)c3ccccc3n12 ZINC000000716204 553768755 /nfs/dbraw/zinc/76/87/55/553768755.db2.gz PVXVNVCMFXNTFL-UHFFFAOYSA-N 1 0 465.395 5.407 50 0 JKAARO CC[NH+](CC)CCn1c2ccccc2n2c(C(C)=O)c(-c3ccc(Br)cc3)nc12 ZINC000000716203 553768781 /nfs/dbraw/zinc/76/87/81/553768781.db2.gz DUYDIZZMHLHQOA-UHFFFAOYSA-N 1 0 453.384 5.263 50 0 JKAARO O=C(Nc1ccc(C(=O)OC[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1)c1ccc(Cl)c(Cl)c1 ZINC000001001076 553898534 /nfs/dbraw/zinc/89/85/34/553898534.db2.gz LDMHMMCRJKBPKT-XMSQKQJNSA-N 1 0 461.389 5.667 50 0 JKAARO CCOc1cc([C@H]2[NH2+]CCc3c4cc(OC)ccc4[nH]c32)ccc1OCc1ccccc1Cl ZINC000001280439 553939791 /nfs/dbraw/zinc/93/97/91/553939791.db2.gz HXGLMENZPYKXFP-AREMUKBSSA-N 1 0 462.977 6.043 50 0 biogenic JKAARO Cc1c(Cl)ccc2c([C@@H](O)C[NH+](CCC(C)C)CCC(C)C)cc(-c3ccc(Cl)cc3)nc12 ZINC000001679155 553982460 /nfs/dbraw/zinc/98/24/60/553982460.db2.gz SVKGPPILSYWDFE-MHZLTWQESA-N 1 0 487.515 7.945 50 0 JKAARO COc1ccc([C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)cc1COc1cc(C)c(Cl)cc1C(C)C ZINC000001825160 553992944 /nfs/dbraw/zinc/99/29/44/553992944.db2.gz OCPXRXSUTGWHTL-NDEPHWFRSA-N 1 0 475.032 7.076 50 0 biogenic JKAARO NC1=[NH+]C[C@@H](CS[C@@]23CCCC[C@@H]2[C@H](c2ccccc2)C=C(c2ccccc2)S3)S1 ZINC000002068876 554021441 /nfs/dbraw/zinc/02/14/41/554021441.db2.gz JWDPJXKKWLZBTK-VRIJDZSUSA-N 1 0 452.714 6.608 50 0 JKAARO COc1c2c(cc3c1[C@H](C[C@H](O)c1cc4c(cc1C)C(C)(C)[C@H](C)CC4(C)C)[N@H+](C)CC3)OCO2 ZINC000002087357 554032802 /nfs/dbraw/zinc/03/28/02/554032802.db2.gz KIIPWXWTCHRTLY-DKLXNKCPSA-N 1 0 479.661 5.980 50 0 biogenic JKAARO C[C@@H]1C[C@H](C)C[N@@H+](CCC(=O)O[C@@H]2CC[C@H]3[C@@H]4CC[C@@H]5CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)C1 ZINC000002130047 554059882 /nfs/dbraw/zinc/05/98/82/554059882.db2.gz UZYZRISMGTUDCJ-DEPUBUJRSA-N 1 0 457.699 5.878 50 0 biogenic JKAARO O=C(N[C@H](OC[C@H]1CCC[N@@H+]2CCCC[C@H]12)C(Cl)(Cl)Cl)c1ccccc1Br ZINC000002136981 554062456 /nfs/dbraw/zinc/06/24/56/554062456.db2.gz NHOWDDFUHDJVCH-MZMPZRCHSA-N 1 0 498.676 5.156 50 0 JKAARO COc1cc(C[NH2+][C@@H](C)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000002177980 554078174 /nfs/dbraw/zinc/07/81/74/554078174.db2.gz KNGLIKQMCWDANR-HNNXBMFYSA-N 1 0 495.244 7.194 50 0 JKAARO O=C(CCCC[NH+]1CCCCC1)c1ccc2c(c1)/C(=C/c1ccc3c(c1)OCO3)c1ccccc1-2 ZINC000002188605 554084612 /nfs/dbraw/zinc/08/46/12/554084612.db2.gz JHSDAYRDRGDIQU-OVVQPSECSA-N 1 0 465.593 6.824 50 0 JKAARO CCOC(=O)c1c2cc(OC)c(Br)cc2n(-c2ccccc2)c1C[N@@H+]1CCCC[C@H]1C ZINC000002192331 554087350 /nfs/dbraw/zinc/08/73/50/554087350.db2.gz BJDDTLCRMPWATN-QGZVFWFLSA-N 1 0 485.422 5.953 50 0 JKAARO C[NH+](C)CC1=C(c2ccccc2)N(Nc2ccccc2)C[C@H](C(=O)c2ccccc2)[C@H]1c1ccccc1 ZINC000002270739 554126859 /nfs/dbraw/zinc/12/68/59/554126859.db2.gz COEQIRLCQCRSGI-CONSDPRKSA-N 1 0 487.647 6.585 50 0 JKAARO CC[NH+](CC)CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000002417347 554195945 /nfs/dbraw/zinc/19/59/45/554195945.db2.gz XDDIEOIAGXVNKU-OAQYLSRUSA-N 1 0 459.373 5.377 50 0 JKAARO CC(C)c1cc(C(C)C)c(-c2ccccc2[PH+](C2CCCCC2)C2CCCCC2)c(C(C)C)c1 ZINC000002529083 554232584 /nfs/dbraw/zinc/23/25/84/554232584.db2.gz UGOMMVLRQDMAQQ-UHFFFAOYSA-N 1 0 476.729 10.496 50 0 JKAARO O[C@@H](COc1c(Cl)cccc1Cl)C[NH+]1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 ZINC000002624231 554248195 /nfs/dbraw/zinc/24/81/95/554248195.db2.gz USAYHOLINZCYHF-HSZRJFAPSA-N 1 0 486.439 5.381 50 0 JKAARO CC(C)(c1ccccc1)c1ccc(OC[C@@H](O)C[N@H+](Cc2ccco2)Cc2ccccc2)cc1 ZINC000002631309 554253126 /nfs/dbraw/zinc/25/31/26/554253126.db2.gz YTNFNZQJCWOMJI-MHZLTWQESA-N 1 0 455.598 6.048 50 0 JKAARO Cc1sc(NC(=O)c2ccco2)c([C@@H](c2ccc(OC(F)F)cc2)[NH+]2CCC(C)CC2)c1C ZINC000002667942 554278951 /nfs/dbraw/zinc/27/89/51/554278951.db2.gz YTYUZCPKVOCSHM-JOCHJYFZSA-N 1 0 474.573 6.633 50 0 JKAARO Brc1ccccc1CN1CCC([N@H+](CCc2ccccc2)Cc2ccccc2)CC1 ZINC000002734483 554318516 /nfs/dbraw/zinc/31/85/16/554318516.db2.gz NXBNGBDAFOXFLA-UHFFFAOYSA-N 1 0 463.463 6.158 50 0 JKAARO CCOc1ccc(C[N@H+](CCc2ccc3c(c2)OCO3)Cc2cc(OC)c(OC)cc2OC)cc1 ZINC000002753344 554327392 /nfs/dbraw/zinc/32/73/92/554327392.db2.gz NRXUXQLUSNSJFU-UHFFFAOYSA-N 1 0 479.573 5.085 50 0 biogenic JKAARO Cc1c(-c2cccc(Cl)c2)nc2ccccc2c1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000002768495 554335103 /nfs/dbraw/zinc/33/51/03/554335103.db2.gz USERZQKZDVSEQG-UHFFFAOYSA-N 1 0 470.016 6.258 50 0 JKAARO CC[C@@H](C)c1ccc([C@H](C)[NH2+]CC(=O)Nc2nc(-c3ccc(Br)cc3)cs2)cc1 ZINC000002789209 554345789 /nfs/dbraw/zinc/34/57/89/554345789.db2.gz IMWLCLLJQJPIAX-CVEARBPZSA-N 1 0 472.452 6.375 50 0 JKAARO O=C(Nc1sc2c(c1C[NH+]1CCC(Cc3ccccc3)CC1)CCCC2)c1ccccc1F ZINC000002889307 554407849 /nfs/dbraw/zinc/40/78/49/554407849.db2.gz BNQKNDWDNXGBCX-UHFFFAOYSA-N 1 0 462.634 6.473 50 0 JKAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000003182922 554428999 /nfs/dbraw/zinc/42/89/99/554428999.db2.gz PADOVPMRAHXREZ-SHQCIBLASA-N 1 0 466.560 5.435 50 0 JKAARO [NH3+]CCCCNC(=O)/C(NC(=O)c1ccccc1)=C(\Sc1ccc(Cl)cc1)c1ccccc1 ZINC000003202941 554430659 /nfs/dbraw/zinc/43/06/59/554430659.db2.gz QAOQRIMNULHZMV-WCWDXBQESA-N 1 0 480.033 5.086 50 0 JKAARO CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)cc1 ZINC000003204762 554430791 /nfs/dbraw/zinc/43/07/91/554430791.db2.gz XTAJNRYOMCJSHW-UHFFFAOYSA-N 1 0 488.613 5.352 50 0 JKAARO CCOC(=O)c1c2cc(OC)c(Br)cc2n(-c2ccccc2)c1C[NH+]1CCCCC1 ZINC000005222173 554487401 /nfs/dbraw/zinc/48/74/01/554487401.db2.gz GJRRRDXWEYQUCI-UHFFFAOYSA-N 1 0 471.395 5.564 50 0 biogenic,in-vitro JKAARO COc1ccc2nc(-c3ccc4c(c3)OCO4)cc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)c2c1 ZINC000006304539 554530597 /nfs/dbraw/zinc/53/05/97/554530597.db2.gz GITMYVHWOVKUFK-UHFFFAOYSA-N 1 0 495.579 5.034 50 0 JKAARO Cc1ccc2nc(-c3ccc(N4C(=O)C[C@@H]([NH2+][C@@H](C)C56CC7CC(CC(C7)C5)C6)C4=O)cc3)sc2c1 ZINC000008414520 554578381 /nfs/dbraw/zinc/57/83/81/554578381.db2.gz IJJLZLDFCWWORM-LTKYSMKNSA-N 1 0 499.680 6.098 50 0 JKAARO COc1cc2nc(C3CCC3)nc(N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c2cc1OC ZINC000008417011 554579185 /nfs/dbraw/zinc/57/91/85/554579185.db2.gz CUWKFJBMOJFQDX-UHFFFAOYSA-N 1 0 494.639 5.826 50 0 JKAARO COc1cc(C[NH2+]C23CC4CC(CC(C4)C2)C3)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000008443461 554593067 /nfs/dbraw/zinc/59/30/67/554593067.db2.gz DLRSVCUEFFBQKB-UHFFFAOYSA-N 1 0 490.869 6.749 50 0 JKAARO O=C(Nc1nc2ccccc2n1CC[NH+]1CCCCC1)c1ccc(COc2ccc3c(c2)CCC3)o1 ZINC000008450393 554596429 /nfs/dbraw/zinc/59/64/29/554596429.db2.gz XJNICWRAZRMOCJ-UHFFFAOYSA-N 1 0 484.600 5.435 50 0 JKAARO O=C(N[C@H](OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(Cl)(Cl)Cl)c1cccc2ccccc21 ZINC000008739636 554641555 /nfs/dbraw/zinc/64/15/55/554641555.db2.gz VRSQERDXHFMAAL-UCNVEGJOSA-N 1 0 469.840 5.547 50 0 biogenic JKAARO Oc1ccccc1C=CC1=C[C@@](O)(C(F)(F)F)N(c2nc(-c3ccc(Cl)cc3)cs2)[NH2+]1 ZINC000008754013 554655726 /nfs/dbraw/zinc/65/57/26/554655726.db2.gz GIAYOLWXTKXHLU-JRMCHAMMSA-N 1 0 465.884 5.700 50 0 JKAARO COc1ccc([C@H]2[NH2+]CCc3c4ccccc4[nH]c32)cc1CN1CCc2cc(OC)c(OC)cc2[C@@H]1C ZINC000008762580 554662307 /nfs/dbraw/zinc/66/23/07/554662307.db2.gz FAHCSUHPPAUHAJ-WWOZWPLTSA-N 1 0 497.639 5.548 50 0 biogenic JKAARO Cc1sc(NC(=O)c2ccco2)c([C@@H](c2ccc(OC(F)F)cc2)[NH+]2CCCCC2)c1C ZINC000008763383 554663402 /nfs/dbraw/zinc/66/34/02/554663402.db2.gz IXHRETCMVWOYOX-OAQYLSRUSA-N 1 0 460.546 6.387 50 0 JKAARO Cc1c2cc3c(cc2oc(=O)c1CCC(=O)NCC(C)(C)C[NH+](C)C)occ3-c1ccccc1 ZINC000008765494 554666074 /nfs/dbraw/zinc/66/60/74/554666074.db2.gz ARADPMPKDKKVRS-UHFFFAOYSA-N 1 0 460.574 5.151 50 0 biogenic JKAARO O=C(N[C@H](OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(Cl)(Cl)Cl)c1ccc(Br)cc1 ZINC000008768463 554669209 /nfs/dbraw/zinc/66/92/09/554669209.db2.gz VOUZVBHUPLKNBV-YXJHDRRASA-N 1 0 498.676 5.156 50 0 biogenic JKAARO COc1cc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc(Br)c1OCc1ccccc1 ZINC000008772506 554672277 /nfs/dbraw/zinc/67/22/77/554672277.db2.gz KYJZFDFAWNMHEP-NRFANRHFSA-N 1 0 499.405 5.197 50 0 JKAARO CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CC[N@@H+]5CCCC(C)(C)C5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000008789082 554681179 /nfs/dbraw/zinc/68/11/79/554681179.db2.gz IQWDZXKZGAIZNS-FJOUDYAESA-N 1 0 483.737 6.578 50 0 biogenic JKAARO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1cc(Sc2cccc(Cl)c2)nc2ccccc21 ZINC000008812697 554694416 /nfs/dbraw/zinc/69/44/16/554694416.db2.gz DZWRGJLUOKPPIJ-QZTJIDSGSA-N 1 0 454.039 6.032 50 0 JKAARO CCOc1ccc(Sc2cc(C(=O)NCCC[N@@H+]3CCCC[C@@H]3CC)c3ccccc3n2)cc1 ZINC000008812904 554694865 /nfs/dbraw/zinc/69/48/65/554694865.db2.gz FHXLBCDYWFKJDX-NRFANRHFSA-N 1 0 477.674 6.169 50 0 JKAARO CCC1=Nc2cc(C(=O)NCCC[N@H+](C)Cc3ccccc3)ccc2Sc2ccc(C)cc21 ZINC000008813170 554695337 /nfs/dbraw/zinc/69/53/37/554695337.db2.gz SQXFBKFYSZMLDC-UHFFFAOYSA-N 1 0 457.643 6.242 50 0 JKAARO CCC[NH+](CCC)CCCNC(=O)c1cc(Nc2ccc(OC)c(OC)c2)nc2ccccc21 ZINC000008814256 554696500 /nfs/dbraw/zinc/69/65/00/554696500.db2.gz NBDHBTFVASRMRH-UHFFFAOYSA-N 1 0 464.610 5.238 50 0 JKAARO CCC[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccc(C)cc3)=NN12 ZINC000008817425 554700180 /nfs/dbraw/zinc/70/01/80/554700180.db2.gz OUZXEMJJARTDEQ-JOCHJYFZSA-N 1 0 454.412 5.503 50 0 JKAARO Cc1ccc(NC(=O)N(Cc2ccc3c(c2)OCO3)C2CC[NH+](Cc3ccccc3)CC2)cc1Cl ZINC000008831063 554720954 /nfs/dbraw/zinc/72/09/54/554720954.db2.gz SMSWRAIFTQOCCC-UHFFFAOYSA-N 1 0 492.019 6.076 50 0 JKAARO Cc1ccc(NC(=O)N(Cc2ccc3c(c2)OCO3)C2CC[NH+](Cc3ccccc3)CC2)cc1C ZINC000008831069 554720965 /nfs/dbraw/zinc/72/09/65/554720965.db2.gz VHCJLTKZUYRSNK-UHFFFAOYSA-N 1 0 471.601 5.731 50 0 JKAARO CCOc1cccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCC[NH+](CC)CC)c1 ZINC000008834884 554732992 /nfs/dbraw/zinc/73/29/92/554732992.db2.gz NBNOICQHYVBPTR-QHCPKHFHSA-N 1 0 468.981 5.122 50 0 JKAARO CC1(C)O[C@]2(CC[C@@H]3[C@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@@]32C)CN1C(=O)CSC1=[NH+]CCN1 ZINC000008856745 554752799 /nfs/dbraw/zinc/75/27/99/554752799.db2.gz FJIROWAKFHDSJC-WMBGMUJQSA-N 1 0 487.754 5.445 50 0 biogenic JKAARO O=C(NCCC[NH+]1CCCCC1)c1ccc(CSc2nc3cccnc3n2Cc2ccccc2)cc1 ZINC000008912002 554801452 /nfs/dbraw/zinc/80/14/52/554801452.db2.gz JAJVABANJKFXTF-UHFFFAOYSA-N 1 0 499.684 5.378 50 0 JKAARO Cc1c(C(=O)NCC[N@@H+](C)C2CCCCC2)oc2ccc3c(c12)[C@H](O)CC1(CCCCC1)O3 ZINC000008912086 554801605 /nfs/dbraw/zinc/80/16/05/554801605.db2.gz DRGMISLLQCFPCY-HXUWFJFHSA-N 1 0 454.611 5.254 50 0 biogenic JKAARO Cc1c(C(=O)NCC[N@@H+](C)C2CCCCC2)oc2ccc3c(c12)[C@@H](O)CC1(CCCCC1)O3 ZINC000008912087 554801842 /nfs/dbraw/zinc/80/18/42/554801842.db2.gz DRGMISLLQCFPCY-FQEVSTJZSA-N 1 0 454.611 5.254 50 0 biogenic JKAARO CC(C)[N@H+](CCCNC(=O)c1ccc2nc(N3CCCCC3)sc2c1)Cc1ccccc1 ZINC000008912705 554803302 /nfs/dbraw/zinc/80/33/02/554803302.db2.gz RFPAONKCQYJLHU-UHFFFAOYSA-N 1 0 450.652 5.317 50 0 JKAARO COc1cccc2c1OC1(CC[NH+](C(C)C)CC1)N1N=C(c3ccc(Br)cc3)C[C@@H]21 ZINC000008914549 554807561 /nfs/dbraw/zinc/80/75/61/554807561.db2.gz IWKAZAYCZVZLFH-NRFANRHFSA-N 1 0 470.411 5.202 50 0 JKAARO C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1sc2c(c1C(=O)Nc1ccc(Br)cc1)CCC2 ZINC000008919215 554816019 /nfs/dbraw/zinc/81/60/19/554816019.db2.gz RXKMCOTXGAOQOZ-OAHLLOKOSA-N 1 0 490.467 5.455 50 0 JKAARO CCC[NH+](CCC)CCC(=O)Nc1sc2c(c1C(=O)Nc1ccc(Br)cc1)CCC2 ZINC000008919228 554816052 /nfs/dbraw/zinc/81/60/52/554816052.db2.gz VHFKORXYQVHZAU-UHFFFAOYSA-N 1 0 492.483 5.702 50 0 JKAARO CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4cccc(Cl)c4Cl)o2)N3)C1 ZINC000008922879 554820010 /nfs/dbraw/zinc/82/00/10/554820010.db2.gz GWJGLKMMDJLKJA-FQEVSTJZSA-N 1 0 462.402 6.510 50 0 JKAARO CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cccc(OC(=O)C=Cc4ccco4)c2)N3)C1 ZINC000008922863 554820002 /nfs/dbraw/zinc/82/00/02/554820002.db2.gz MWTLTDDGCBTCIT-YVSHKSEASA-N 1 0 463.559 5.155 50 0 JKAARO CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cccc(OC(=O)c4cccs4)c2)N3)C1 ZINC000008923144 554820346 /nfs/dbraw/zinc/82/03/46/554820346.db2.gz KNADKDMXIVBJKL-HXUWFJFHSA-N 1 0 453.589 5.224 50 0 JKAARO CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cccc(OC(=O)c4cccs4)c2)N3)C1 ZINC000008923141 554820403 /nfs/dbraw/zinc/82/04/03/554820403.db2.gz KNADKDMXIVBJKL-FQEVSTJZSA-N 1 0 453.589 5.224 50 0 JKAARO Cc1ccc(C(=O)Oc2ccc([C@@H]3Nc4sc5c(c4C(=O)N3)CC[N@@H+](C(C)C)C5)cc2)cc1 ZINC000008923484 554820597 /nfs/dbraw/zinc/82/05/97/554820597.db2.gz GJMLPEOIEVGGIN-QHCPKHFHSA-N 1 0 461.587 5.471 50 0 JKAARO CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC(=O)c4cccs4)cc2)N3)C1 ZINC000008923401 554820616 /nfs/dbraw/zinc/82/06/16/554820616.db2.gz FHELRMVYYXGKEB-HXUWFJFHSA-N 1 0 453.589 5.224 50 0 JKAARO CCOCC1=C(c2ccccc2)[N@@H+](C2CCCCC2)C[C@H](C(=O)c2ccccc2)[C@@H]1c1ccccc1 ZINC000008926047 554822344 /nfs/dbraw/zinc/82/23/44/554822344.db2.gz WJXGFINEXFJDLP-SMCANUKXSA-N 1 0 479.664 7.365 50 0 JKAARO O=C(N[C@@H](OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(Cl)(Cl)Cl)c1ccc(Br)cc1 ZINC000008927359 554824795 /nfs/dbraw/zinc/82/47/95/554824795.db2.gz VOUZVBHUPLKNBV-LESCRADOSA-N 1 0 498.676 5.156 50 0 biogenic JKAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC(=O)c4ccccc4Cl)cc2)N3)C1 ZINC000008928002 554825559 /nfs/dbraw/zinc/82/55/59/554825559.db2.gz VWUQGFORYBLXAR-NRFANRHFSA-N 1 0 467.978 5.428 50 0 JKAARO Cc1nn(-c2ccccc2)c(-n2cccc2)c1C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000008933616 554827738 /nfs/dbraw/zinc/82/77/38/554827738.db2.gz RHNPHZLYZLDCIU-UHFFFAOYSA-N 1 0 453.590 5.456 50 0 JKAARO CCC(=O)N(CC[C@]1(Cc2ccccc2)C[C@@H](C)[N@H+](C)C[C@@H]1C)Cc1ccc(OC)c(OC)c1 ZINC000009007657 554861052 /nfs/dbraw/zinc/86/10/52/554861052.db2.gz CVVMLEFCKQGMAH-QFWOEDSFSA-N 1 0 466.666 5.422 50 0 JKAARO Clc1ccc(C2=NN3[C@@H](C2)c2ccccc2OC32CC[NH+](Cc3ccccc3)CC2)cc1Cl ZINC000009007742 554861194 /nfs/dbraw/zinc/86/11/94/554861194.db2.gz DQKFWDHOOJUBFA-VWLOTQADSA-N 1 0 478.423 6.529 50 0 JKAARO COc1ccccc1N1CCN(C2CC[NH+](Cc3cccc(Oc4ccccc4)c3)CC2)CC1 ZINC000009013716 554864963 /nfs/dbraw/zinc/86/49/63/554864963.db2.gz QPOSQLHTCCYUBM-UHFFFAOYSA-N 1 0 457.618 5.274 50 0 JKAARO COc1cccc2c1OC1(CC[NH+](Cc3ccccc3)CC1)N1N=C(c3ccccc3Cl)C[C@H]21 ZINC000009019524 554866955 /nfs/dbraw/zinc/86/69/55/554866955.db2.gz MIKCMBMIWAOGSY-RUZDIDTESA-N 1 0 474.004 5.884 50 0 JKAARO CC(=O)[C@@H]1[C@H](C)C[C@@H]2[C@@H]3CC=C4C[C@H](OC(=O)CC[NH+]5CCCCC5)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000009033987 554868308 /nfs/dbraw/zinc/86/83/08/554868308.db2.gz ZMZSWQGXOQDHQU-RSWSFMATSA-N 1 0 469.710 6.188 50 0 biogenic JKAARO CC1CC[NH+](C[C@@H](O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)CC1 ZINC000009065139 554884951 /nfs/dbraw/zinc/88/49/51/554884951.db2.gz ILSBQBFSDVBUSY-QGZVFWFLSA-N 1 0 480.244 5.412 50 0 JKAARO COc1cc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)ccc1OCc1ccc(Cl)cc1 ZINC000009126047 554919248 /nfs/dbraw/zinc/91/92/48/554919248.db2.gz CAMPKCSFBHXNFQ-NRFANRHFSA-N 1 0 454.954 5.088 50 0 JKAARO CC1(C)C[C@](CC[NH+]2CCC(Cc3ccccc3)CC2)(c2cccc(C(F)(F)F)c2)CCO1 ZINC000009133922 554931498 /nfs/dbraw/zinc/93/14/98/554931498.db2.gz CICMBTCEZKLVBA-HHHXNRCGSA-N 1 0 459.596 6.877 50 0 JKAARO CCOC(=O)c1ccc(NC(=O)N(Cc2ccc(C)o2)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000009151168 554937333 /nfs/dbraw/zinc/93/73/33/554937333.db2.gz WHHWWAYDZKMZKF-UHFFFAOYSA-N 1 0 475.589 5.463 50 0 JKAARO Cc1ccc(CN(C(=O)Nc2ccc(C)cc2Cl)C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000009151164 554937389 /nfs/dbraw/zinc/93/73/89/554937389.db2.gz COHCWTMNLKWDGQ-UHFFFAOYSA-N 1 0 451.998 6.249 50 0 JKAARO Cc1ccc2sc(N(CCC[NH+](C)C)C(=O)c3ccc(Br)s3)nc2c1C ZINC000009151931 554939205 /nfs/dbraw/zinc/93/92/05/554939205.db2.gz OQRUBFMHLUDBBU-UHFFFAOYSA-N 1 0 452.443 5.336 50 0 JKAARO COc1ccc(Cl)cc1NC(=O)c1cnn(-c2ccc(C)c(Cl)c2)c1C1CC[NH2+]CC1 ZINC000009227322 555000117 /nfs/dbraw/zinc/00/01/17/555000117.db2.gz KXZKFNSMXWCDCR-UHFFFAOYSA-N 1 0 459.377 5.215 50 0 JKAARO COc1cc(Cl)c(C)cc1NC(=O)c1cnn(-c2ccc(C)cc2C)c1C1CC[NH2+]CC1 ZINC000009227496 555000217 /nfs/dbraw/zinc/00/02/17/555000217.db2.gz OJISQJLDFUKUQG-UHFFFAOYSA-N 1 0 452.986 5.179 50 0 JKAARO Cc1ccc(C)c(C[NH+]2CCC(CNC(=O)Nc3cn(CC(C)C)c(=O)c4ccccc34)CC2)c1 ZINC000009227612 555000527 /nfs/dbraw/zinc/00/05/27/555000527.db2.gz NWSXLASMANTMIV-UHFFFAOYSA-N 1 0 474.649 5.308 50 0 JKAARO Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc12 ZINC000009229057 555003092 /nfs/dbraw/zinc/00/30/92/555003092.db2.gz UYOSVSXYAMZNEG-UHFFFAOYSA-N 1 0 451.614 5.701 50 0 JKAARO CCC[NH+]1CCC2(CC1)Oc1c(OC)cccc1[C@H]1CC(c3ccc(Cl)c(Cl)c3)=NN12 ZINC000009235362 555009461 /nfs/dbraw/zinc/00/94/61/555009461.db2.gz BWZIPEDVKIIEPJ-OAQYLSRUSA-N 1 0 460.405 5.748 50 0 JKAARO CCN1c2cc(NC(=O)N3CC[NH+](C4CCCCC4)CC3)ccc2Sc2ccccc2C1=O ZINC000009251520 555025454 /nfs/dbraw/zinc/02/54/54/555025454.db2.gz OCIQWYMQWCXCMH-UHFFFAOYSA-N 1 0 464.635 5.300 50 0 JKAARO Cc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)c12 ZINC000009266593 555042878 /nfs/dbraw/zinc/04/28/78/555042878.db2.gz INKOPTGVPSONMW-UHFFFAOYSA-N 1 0 465.601 5.001 50 0 JKAARO C=C1C(NCCC[NH+]2CCC(Cc3ccccc3)CC2)=NS(=O)(=O)C1c1ccc(C(C)C)cc1 ZINC000009286726 555060492 /nfs/dbraw/zinc/06/04/92/555060492.db2.gz JIVPOSYLZHMSDW-UHFFFAOYSA-N 1 0 479.690 5.217 50 0 JKAARO CC[N@H+](CCCNC(=O)c1[nH]c2ccccc2c1Sc1ccc(Cl)cc1)Cc1ccccc1 ZINC000009288152 555061704 /nfs/dbraw/zinc/06/17/04/555061704.db2.gz XVTSZIHPYNVMMC-UHFFFAOYSA-N 1 0 478.061 6.615 50 0 JKAARO C[C@H]1CCC[C@H](C)[NH+]1CCCNC(=O)c1[nH]c2ccccc2c1Sc1ccc(Cl)cc1 ZINC000009288167 555061754 /nfs/dbraw/zinc/06/17/54/555061754.db2.gz ASGZCQXXTGFITJ-ROUUACIJSA-N 1 0 456.055 6.355 50 0 JKAARO Cc1ccc(Sc2c3ccccc3[nH]c2C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000009288061 555061767 /nfs/dbraw/zinc/06/17/67/555061767.db2.gz QTANDQZUDUCWIJ-UHFFFAOYSA-N 1 0 455.627 6.022 50 0 JKAARO COc1ccc2c(c1)[nH]c(C(=O)NCC[NH+]1CCCCCC1)c2Sc1ccc(Cl)cc1 ZINC000009288629 555062461 /nfs/dbraw/zinc/06/24/61/555062461.db2.gz IHAMZXWCEQYTSG-UHFFFAOYSA-N 1 0 458.027 5.587 50 0 JKAARO CCC[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccccc3F)=NN12 ZINC000009307084 555079842 /nfs/dbraw/zinc/07/98/42/555079842.db2.gz FPWNSWGKKMQRKC-NRFANRHFSA-N 1 0 458.375 5.334 50 0 JKAARO O=C(CSc1ncnc2c1cnn2-c1ccc(Cl)cc1)Nc1ccccc1-c1ccccc1 ZINC000009345215 555110880 /nfs/dbraw/zinc/11/08/80/555110880.db2.gz QBOOXNGWAYVOBG-UHFFFAOYSA-N 1 0 471.973 5.867 50 0 JKAARO COc1ccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2ccc(C(C)C)cc2)N2NC=NC2=N3)c(OC)c1 ZINC000009345199 555110947 /nfs/dbraw/zinc/11/09/47/555110947.db2.gz JJGBWEFTVBXQRK-IZLXSDGUSA-N 1 0 480.568 5.631 50 0 JKAARO c1ccc(C[NH+]2CCC3(CC2)Oc2ccccc2[C@H]2CC(c4cccc5ccccc54)=NN23)cc1 ZINC000009380035 555141961 /nfs/dbraw/zinc/14/19/61/555141961.db2.gz VVNMFHBFXUABGX-GDLZYMKVSA-N 1 0 459.593 6.376 50 0 JKAARO Cc1ccc(-c2cn3c4ccc(C(=O)NCCC[N@H+]5[C@H](C)CCC[C@@H]5C)cc4sc3n2)cc1 ZINC000009406357 555166600 /nfs/dbraw/zinc/16/66/00/555166600.db2.gz UAHIPIATTKFBNU-BGYRXZFFSA-N 1 0 460.647 5.907 50 0 JKAARO COc1ccc(-c2cn3c4ccc(C(=O)NCCC[N@H+]5[C@H](C)CCC[C@@H]5C)cc4sc3n2)cc1 ZINC000009406440 555166650 /nfs/dbraw/zinc/16/66/50/555166650.db2.gz FQCQURDJSUIYBE-KDURUIRLSA-N 1 0 476.646 5.607 50 0 JKAARO COc1ccc(-c2cn3c4ccc(C(=O)NCCC[NH+]5[C@H](C)CCC[C@H]5C)cc4sc3n2)cc1 ZINC000009406442 555166681 /nfs/dbraw/zinc/16/66/81/555166681.db2.gz FQCQURDJSUIYBE-RTBURBONSA-N 1 0 476.646 5.607 50 0 JKAARO CCOc1ccc(-c2cn3c4ccc(C(=O)NCCC[NH+]5[C@@H](C)CCC[C@@H]5C)cc4sc3n2)cc1 ZINC000009406640 555167115 /nfs/dbraw/zinc/16/71/15/555167115.db2.gz JUBVRIFMNPOUAC-PMACEKPBSA-N 1 0 490.673 5.998 50 0 JKAARO CC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC[C@@H](O)C[NH2+]Cc3ccc(C)cc3)cc21 ZINC000009408660 555171602 /nfs/dbraw/zinc/17/16/02/555171602.db2.gz XMYVSNWPKPMXMN-VWLOTQADSA-N 1 0 456.586 5.288 50 0 JKAARO O=S(=O)(N[C@H]1CCCC[C@@H]1[N@H+](Cc1ccco1)C1CCCCC1)c1ccc(Cl)cc1 ZINC000009408766 555171799 /nfs/dbraw/zinc/17/17/99/555171799.db2.gz ZTYVUZQQMXWRKW-GOTSBHOMSA-N 1 0 451.032 5.357 50 0 JKAARO O=S(=O)(N[C@H]1CCCC[C@H]1[N@H+](Cc1ccco1)C1CCCCC1)c1ccc(Cl)cc1 ZINC000009408765 555171833 /nfs/dbraw/zinc/17/18/33/555171833.db2.gz ZTYVUZQQMXWRKW-XZOQPEGZSA-N 1 0 451.032 5.357 50 0 JKAARO COc1ccc(CC[NH2+]CC[C@H](Cc2ccccc2Cl)[C@H]2CCOC(C)(C)C2)cc1OC ZINC000009410368 555176679 /nfs/dbraw/zinc/17/66/79/555176679.db2.gz IOHBCDZCJJMTLK-GGAORHGYSA-N 1 0 460.058 5.944 50 0 JKAARO COc1ccc(CC[NH2+]CC[C@H](Cc2ccccc2Cl)[C@@H]2CCOC(C)(C)C2)cc1OC ZINC000009410367 555176716 /nfs/dbraw/zinc/17/67/16/555176716.db2.gz IOHBCDZCJJMTLK-FYYLOGMGSA-N 1 0 460.058 5.944 50 0 JKAARO CCC[NH+](CCC)CCNC(=O)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1 ZINC000009433517 555203696 /nfs/dbraw/zinc/20/36/96/555203696.db2.gz IHQWZMYXXNKXQB-LOSJGSFVSA-N 1 0 467.679 5.210 50 0 JKAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1 ZINC000009433709 555204092 /nfs/dbraw/zinc/20/40/92/555204092.db2.gz VVZIVQNXIXNZMG-LIKDZFNVSA-N 1 0 479.690 5.352 50 0 JKAARO COc1ccc(C[NH2+]CC[C@H](c2ccc(OC(C)C)cc2)C2CCCCC2)cc1OC(C)C ZINC000009451082 555223366 /nfs/dbraw/zinc/22/33/66/555223366.db2.gz JVRWVGCYDIVKLA-MHZLTWQESA-N 1 0 453.667 7.113 50 0 JKAARO Brc1ccc2c(c1)[C@@H]1CC(c3cccnc3)=NN1C1(CC[NH+](Cc3ccccc3)CC1)O2 ZINC000009462169 555230795 /nfs/dbraw/zinc/23/07/95/555230795.db2.gz KJBPIWDCISRJNO-DEOSSOPVSA-N 1 0 489.417 5.380 50 0 JKAARO Brc1ccc(C2=NN3[C@H](C2)c2ccccc2OC32CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000009462942 555232281 /nfs/dbraw/zinc/23/22/81/555232281.db2.gz XLWUHVIYJNABNX-RUZDIDTESA-N 1 0 488.429 5.985 50 0 JKAARO COc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(CSc4nc5ccccc5[nH]4)cc3)CC2)cc1 ZINC000009466857 555243359 /nfs/dbraw/zinc/24/33/59/555243359.db2.gz YOKOPICLGILQSW-UHFFFAOYSA-N 1 0 486.641 5.212 50 0 JKAARO COc1ccc(-c2nc3ccccc3c(NCC3CC[NH+](Cc4cccc(F)c4)CC3)n2)cc1 ZINC000009527078 555320720 /nfs/dbraw/zinc/32/07/20/555320720.db2.gz JZWBMKPEFNKSFP-UHFFFAOYSA-N 1 0 456.565 5.769 50 0 JKAARO COc1ccc(-c2nc3ccccc3c(NCCC[NH+]3CCC(Cc4ccccc4)CC3)n2)cc1 ZINC000009527068 555320740 /nfs/dbraw/zinc/32/07/40/555320740.db2.gz XHHATYMDDUGRCT-UHFFFAOYSA-N 1 0 466.629 6.062 50 0 JKAARO Clc1ccccc1-c1nc2ccccc2c(NCCC[NH+]2CCN(c3ccccc3)CC2)n1 ZINC000009527131 555320744 /nfs/dbraw/zinc/32/07/44/555320744.db2.gz RCNURMMJQGWAEK-UHFFFAOYSA-N 1 0 458.009 5.574 50 0 JKAARO COc1ccc(-c2csc3ncnc(NCC4CC[NH+](Cc5ccccc5Cl)CC4)c23)cc1 ZINC000009527761 555320995 /nfs/dbraw/zinc/32/09/95/555320995.db2.gz HXKAGQHJCXIQGC-UHFFFAOYSA-N 1 0 479.049 6.344 50 0 JKAARO Cc1ccc2nc3sc(C(=O)NCC4CC[NH+](Cc5cccc(Cl)c5)CC4)cc3cc2c1 ZINC000009528745 555322568 /nfs/dbraw/zinc/32/25/68/555322568.db2.gz OABMLJFTYPWNKF-UHFFFAOYSA-N 1 0 464.034 6.053 50 0 JKAARO COC(=O)c1c2c(sc1NC(=O)C(c1ccccc1)c1ccccc1)C(C)(C)[NH2+]C(C)(C)C2 ZINC000009639693 555349019 /nfs/dbraw/zinc/34/90/19/555349019.db2.gz CRFPYGQBBZLJIK-UHFFFAOYSA-N 1 0 462.615 5.465 50 0 JKAARO CC(C)(C)Nc1c(-c2cccc(F)c2)nc2sc(N3CC[NH+](C4CCCCC4)CC3)nn21 ZINC000013347136 555377323 /nfs/dbraw/zinc/37/73/23/555377323.db2.gz 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5.730 50 0 JKAARO COc1ccccc1Nc1cc(C(=O)NCC[NH+]2CCC(Cc3ccccc3)CC2)c2ccccc2n1 ZINC000009680933 555408789 /nfs/dbraw/zinc/40/87/89/555408789.db2.gz DLCLFLBGEVGKMJ-UHFFFAOYSA-N 1 0 494.639 5.672 50 0 JKAARO CCCC[N@H+](CCCNC(=O)c1cc(Nc2cc(C)cc(C)c2)nc2ccccc21)Cc1ccccc1 ZINC000009680825 555408864 /nfs/dbraw/zinc/40/88/64/555408864.db2.gz DRQWXCPCMBKSFC-UHFFFAOYSA-N 1 0 494.683 7.017 50 0 JKAARO CC(C)C[NH+](CCCNC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc21)CC(C)C ZINC000009598067 555415766 /nfs/dbraw/zinc/41/57/66/555415766.db2.gz AGHVUKIJYRTBJC-UHFFFAOYSA-N 1 0 458.071 6.351 50 0 JKAARO O=C(CSc1c2cc(Cl)ccc2nc2c1CCCC2)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000009693750 555422853 /nfs/dbraw/zinc/42/28/53/555422853.db2.gz QMBVAFKORARFDA-UHFFFAOYSA-N 1 0 480.077 5.640 50 0 JKAARO Cc1cc2c(-c3ccccc3)c(-c3ccccc3)n(C[C@H](O)C[NH2+]C[C@H]3CCCO3)c2c(C)c1 ZINC000009601965 555427828 /nfs/dbraw/zinc/42/78/28/555427828.db2.gz GIZJJZDVTCIDDL-CLJLJLNGSA-N 1 0 454.614 5.722 50 0 JKAARO COc1ccc2sc(N(CC[NH+](C)C)C(=O)c3cc(-c4ccccc4)nc4ccccc43)nc2c1 ZINC000009604091 555430491 /nfs/dbraw/zinc/43/04/91/555430491.db2.gz RAGSFGQMNDSCFX-UHFFFAOYSA-N 1 0 482.609 5.729 50 0 JKAARO C[NH+](C)CCN(C(=O)c1ccc(Oc2ccccc2)cc1)c1nc2c(cc(F)cc2F)s1 ZINC000009604205 555431108 /nfs/dbraw/zinc/43/11/08/555431108.db2.gz FOTWBQDYQJCRAI-UHFFFAOYSA-N 1 0 453.514 5.575 50 0 JKAARO CCCC[N@H+](CCCNC(=O)c1ccc2c(c1)N=C(CC)c1ccccc1S2)Cc1ccccc1 ZINC000009607916 555434239 /nfs/dbraw/zinc/43/42/39/555434239.db2.gz LPIWSDWJRVOKSV-UHFFFAOYSA-N 1 0 485.697 7.104 50 0 JKAARO CCCC[N@H+](CCCNC(=O)c1ccc2c(c1)N=C(CCC)c1ccccc1S2)Cc1ccccc1 ZINC000009608009 555434623 /nfs/dbraw/zinc/43/46/23/555434623.db2.gz BVDALYZGTLYPGM-UHFFFAOYSA-N 1 0 499.724 7.494 50 0 JKAARO CCCC1=Nc2cc(C(=O)NCC[NH+](CC(C)C)CC(C)C)ccc2Sc2ccc(C)cc21 ZINC000009608154 555434961 /nfs/dbraw/zinc/43/49/61/555434961.db2.gz WKIVNFAWVPGCPQ-UHFFFAOYSA-N 1 0 465.707 6.724 50 0 JKAARO CCC1=Nc2cc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)ccc2Sc2ccc(C)cc21 ZINC000009608309 555435497 /nfs/dbraw/zinc/43/54/97/555435497.db2.gz JRSXEPSLPRHDRE-UHFFFAOYSA-N 1 0 469.654 6.385 50 0 JKAARO Cc1nn2c(nc(C)c(CCC(=O)NC3CC[NH+](Cc4ccccc4)CC3)c2C)c1-c1ccccc1 ZINC000009609909 555439110 /nfs/dbraw/zinc/43/91/10/555439110.db2.gz JAZVZUGGNDPUBR-UHFFFAOYSA-N 1 0 481.644 5.035 50 0 JKAARO CC[NH+]1CCN(c2ccc(NC(=O)CCc3c(C)nc4c(c(C)nn4-c4ccccc4)c3C)cc2)CC1 ZINC000009610203 555440025 /nfs/dbraw/zinc/44/00/25/555440025.db2.gz UBBNTRWSVLLIQX-UHFFFAOYSA-N 1 0 496.659 5.059 50 0 JKAARO Cc1nn(-c2ccc(C)c(C)c2)c2nc(C)c(CCC(=O)Nc3ccc(C[NH+]4CCCC4)cc3)c(C)c12 ZINC000009610300 555440298 /nfs/dbraw/zinc/44/02/98/555440298.db2.gz JYNXMUQEKLRPAQ-UHFFFAOYSA-N 1 0 495.671 6.130 50 0 JKAARO Cc1nn(-c2ccc(C)c(C)c2)c2nc(C)c(CCC(=O)NC[C@H]3CC[N@@H+](C4CCCC4)C3)c(C)c12 ZINC000009610270 555440375 /nfs/dbraw/zinc/44/03/75/555440375.db2.gz BADMWCCZYQIFGQ-XMMPIXPASA-N 1 0 487.692 5.276 50 0 JKAARO Cc1nn(-c2ccc(C)cc2)c2nc(C)cc(C(=O)NCC3CC[NH+](Cc4ccccc4F)CC3)c12 ZINC000009610448 555440725 /nfs/dbraw/zinc/44/07/25/555440725.db2.gz BUEWOQLQMUSSJJ-UHFFFAOYSA-N 1 0 485.607 5.127 50 0 JKAARO Cc1nn(-c2ccc(C)cc2)c2nc(C)cc(C(=O)NCC3CC[NH+](Cc4cccc(F)c4)CC3)c12 ZINC000009610449 555441006 /nfs/dbraw/zinc/44/10/06/555441006.db2.gz FOYZYFUZEYMBCA-UHFFFAOYSA-N 1 0 485.607 5.127 50 0 JKAARO COc1ccc(Nc2c3cc(NC(=O)c4cccc(Cl)c4)ccc3[nH+]c3c2CCCC3)cc1OC ZINC000009612246 555444850 /nfs/dbraw/zinc/44/48/50/555444850.db2.gz RFCOXZWVRXJVPS-UHFFFAOYSA-N 1 0 487.987 6.780 50 0 JKAARO OC(c1ccccc1)(c1ccccc1)C1CC[NH+](Cc2cccc(OCc3ccccc3)c2)CC1 ZINC000009730864 555466932 /nfs/dbraw/zinc/46/69/32/555466932.db2.gz NTUVYKDKSDSLSQ-UHFFFAOYSA-N 1 0 463.621 6.414 50 0 JKAARO Cc1oc(-c2ccc(Cl)cc2)nc1C[N@@H+]1CCC[C@@H](C(=O)NCc2ccccc2Cl)C1 ZINC000009731901 555469278 /nfs/dbraw/zinc/46/92/78/555469278.db2.gz FURPRNVHUNFUFJ-LJQANCHMSA-N 1 0 458.389 5.485 50 0 JKAARO O=C([O-])c1ccc(-n2cc(C[NH2+]CC3CC[NH+](Cc4ccc(Cl)cc4)CC3)c3ccccc32)s1 ZINC000009741050 555472321 /nfs/dbraw/zinc/47/23/21/555472321.db2.gz JEODTCNRPNAOAA-UHFFFAOYSA-N 1 0 494.060 6.045 50 0 JKAARO Cc1ccc(Nc2ncc(C(=O)NCCC[NH+]3C[C@@H](C)C[C@H](C)C3)c3ccccc32)cc1Cl ZINC000009776782 555495002 /nfs/dbraw/zinc/49/50/02/555495002.db2.gz TVVFOWLFMNOKAO-OALUTQOASA-N 1 0 465.041 6.038 50 0 JKAARO COc1ccc(Nc2c3cc(NC(=O)c4ccccc4F)ccc3[nH+]c3c2CCCC3)cc1OC ZINC000009777087 555495591 /nfs/dbraw/zinc/49/55/91/555495591.db2.gz MJEKDNFRUUUNBK-UHFFFAOYSA-N 1 0 471.532 6.266 50 0 JKAARO COc1ccc(Nc2c3cc(NC(=O)c4ccccc4OC)ccc3[nH+]c3c2CCCC3)cc1OC ZINC000009777109 555495597 /nfs/dbraw/zinc/49/55/97/555495597.db2.gz VBKRULMPWXBRJS-UHFFFAOYSA-N 1 0 483.568 6.135 50 0 JKAARO O=c1c2c(ncn1CCCc1ccccc1)sc1c2CC[C@@H]([NH2+]Cc2c(F)cccc2F)C1 ZINC000019839524 555508228 /nfs/dbraw/zinc/50/82/28/555508228.db2.gz QEOVDUPULCTXBV-GOSISDBHSA-N 1 0 465.569 5.016 50 0 JKAARO COc1ccc(-c2csc3ncnc(N4CC[NH+](C(c5ccccc5)c5ccccc5)CC4)c23)cc1 ZINC000019882313 555527393 /nfs/dbraw/zinc/52/73/93/555527393.db2.gz HMGNEJWUGHBCDR-UHFFFAOYSA-N 1 0 492.648 6.279 50 0 JKAARO Cc1ccc2nc(-c3ccc(N4C(=O)C[C@H]([NH2+][C@@H](C)C56CC7CC(CC(C7)C5)C6)C4=O)cc3)sc2c1 ZINC000019890018 555529444 /nfs/dbraw/zinc/52/94/44/555529444.db2.gz IJJLZLDFCWWORM-FSYTULGSSA-N 1 0 499.680 6.098 50 0 JKAARO FC(F)(F)c1cc(-c2ccccc2)nc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000019894404 555532240 /nfs/dbraw/zinc/53/22/40/555532240.db2.gz BQMHNUBFMBBNLJ-UHFFFAOYSA-N 1 0 474.530 6.074 50 0 JKAARO Cc1cccc(N2C(=O)[C@@H](Oc3ccc(Cl)cc3Cl)[C@@H]2C[NH2+]CCc2ccccc2)c1C ZINC000009835531 555540500 /nfs/dbraw/zinc/54/05/00/555540500.db2.gz AYUACYNLOBYABF-ZCYQVOJMSA-N 1 0 469.412 5.605 50 0 JKAARO Cc1cccc(N2C(=O)[C@H](Oc3ccc(Cl)cc3Cl)[C@@H]2C[NH2+]CCc2ccccc2)c1C ZINC000009835536 555540505 /nfs/dbraw/zinc/54/05/05/555540505.db2.gz AYUACYNLOBYABF-UKILVPOCSA-N 1 0 469.412 5.605 50 0 JKAARO CC[C@@H](C)[N@H+](CCNC(=O)[C@@H]1CCCN(c2nc3c(cc(C)cc3C)s2)C1)C1CCCCC1 ZINC000009848401 555550511 /nfs/dbraw/zinc/55/05/11/555550511.db2.gz QQYBNTUZNUHRSS-FGZHOGPDSA-N 1 0 470.727 5.679 50 0 JKAARO c1sc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)nc1-c1cccc2ccccc21 ZINC000019943881 555562272 /nfs/dbraw/zinc/56/22/72/555562272.db2.gz NNMSVQNVNTXAFN-UHFFFAOYSA-N 1 0 461.634 6.875 50 0 JKAARO Cc1ccc(C2=C(Cl)/C(=C\C[NH+]3CCCCC3)[C@@H](c3ccccc3)c3ccccc3O2)cc1 ZINC000013689067 555582253 /nfs/dbraw/zinc/58/22/53/555582253.db2.gz JLYVNNLQOSECGB-OXWVMCNISA-N 1 0 456.029 7.539 50 0 JKAARO O=C(Nc1cc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)ccc1Cl)c1cccs1 ZINC000009992101 555587361 /nfs/dbraw/zinc/58/73/61/555587361.db2.gz CKEZBAZXIHSAJI-UHFFFAOYSA-N 1 0 453.995 5.180 50 0 JKAARO COc1cc(C[NH2+]CCc2ccc(Cl)cc2Cl)ccc1Oc1nnnn1-c1ccccc1 ZINC000013723384 555599111 /nfs/dbraw/zinc/59/91/11/555599111.db2.gz XCJQIQOGELBOOI-UHFFFAOYSA-N 1 0 470.360 5.102 50 0 JKAARO COc1ccccc1-c1coc2c(ccc3c2CN(C2CC[NH+](Cc4ccccc4)CC2)CO3)c1=O ZINC000013730169 555603010 /nfs/dbraw/zinc/60/30/10/555603010.db2.gz VIHPXOLXJJEADI-UHFFFAOYSA-N 1 0 482.580 5.285 50 0 JKAARO CCCCOc1ccc(C(=O)[C@H](C[NH+]2CCN(c3ccc(F)cc3)CC2)c2ccccc2)cc1 ZINC000020034576 555609209 /nfs/dbraw/zinc/60/92/09/555609209.db2.gz RPGZZVASPJEEKU-MUUNZHRXSA-N 1 0 460.593 5.793 50 0 JKAARO COc1ccc(Br)cc1C[N@@H+]1CCC[C@H](C(=O)N2CCC(Cc3ccccc3)CC2)C1 ZINC000020037565 555611425 /nfs/dbraw/zinc/61/14/25/555611425.db2.gz DZMGSZPDWIUFGW-QFIPXVFZSA-N 1 0 485.466 5.151 50 0 JKAARO CC[NH+](CC)CCN(C(=O)c1ccc(C(=O)c2ccccc2)cc1)c1nc2ccc(OC)cc2s1 ZINC000010066407 555613984 /nfs/dbraw/zinc/61/39/84/555613984.db2.gz LARGKOTXUXMRBA-UHFFFAOYSA-N 1 0 487.625 5.525 50 0 JKAARO CC[NH+](CC)CCN(C(=O)c1cc2ccccc2cc1OC)c1nc2ccc(OC)cc2s1 ZINC000010066444 555614098 /nfs/dbraw/zinc/61/40/98/555614098.db2.gz UHDNYFFIOZLRAC-UHFFFAOYSA-N 1 0 463.603 5.455 50 0 JKAARO CSc1nc2c3c4c(c(CC(C)C)nc3sc2c(SCC[NH+]2CCCCC2)n1)CCC4 ZINC000013770475 555614536 /nfs/dbraw/zinc/61/45/36/555614536.db2.gz FDKUBHKRRBBKKP-UHFFFAOYSA-N 1 0 472.749 6.227 50 0 JKAARO c1ccc2c(c1)CCC[C@H]2[NH+]1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3cccnc3)=NN12 ZINC000013810817 555626164 /nfs/dbraw/zinc/62/61/64/555626164.db2.gz FMOLZDMHNHMWGD-KAYWLYCHSA-N 1 0 450.586 5.495 50 0 JKAARO c1ccc2c(c1)CCC[C@H]2[NH+]1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccncc3)=NN12 ZINC000013811003 555626486 /nfs/dbraw/zinc/62/64/86/555626486.db2.gz XVPXUUXMIRFENY-KAYWLYCHSA-N 1 0 450.586 5.495 50 0 JKAARO COc1ccc(OC)c([C@H]2Oc3ccc(Cl)cc3C3=C2[C@@H](c2ccc(F)cc2)N2NC=NC2=N3)c1 ZINC000013811185 555627279 /nfs/dbraw/zinc/62/72/79/555627279.db2.gz VEXVRBYXMBSEMZ-JWQCQUIFSA-N 1 0 490.922 5.301 50 0 JKAARO O=C(C1CC[NH+](Cc2cccc(Cl)c2)CC1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020100380 555633562 /nfs/dbraw/zinc/63/35/62/555633562.db2.gz FTEWFMDTCUNAAZ-UHFFFAOYSA-N 1 0 488.075 5.486 50 0 JKAARO Cc1nc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)[nH]c(=O)c1Cc1ccc(Cl)cc1 ZINC000013858085 555636144 /nfs/dbraw/zinc/63/61/44/555636144.db2.gz CMNZUUITNJMTNT-UHFFFAOYSA-N 1 0 485.031 5.234 50 0 JKAARO COc1ccccc1Nc1c2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2[nH+]c2c1CCCC2 ZINC000020105315 555638773 /nfs/dbraw/zinc/63/87/73/555638773.db2.gz BPROIDSBCCFSJK-UHFFFAOYSA-N 1 0 491.513 7.137 50 0 JKAARO CCCC[N@H+](C)CCCN(Cc1cccs1)C(=S)Nc1ccc(Oc2ccccc2)cc1 ZINC000020107692 555641775 /nfs/dbraw/zinc/64/17/75/555641775.db2.gz UYZLEXWCVRZGIU-UHFFFAOYSA-N 1 0 467.704 6.861 50 0 JKAARO S=C(Nc1ccc(Oc2ccccc2)cc1)N(CC[NH+]1CCCCCC1)Cc1cccs1 ZINC000020107690 555641783 /nfs/dbraw/zinc/64/17/83/555641783.db2.gz ZBDCOUZFYFYWJR-UHFFFAOYSA-N 1 0 465.688 6.615 50 0 JKAARO C[NH+]1CCN(CCCN(Cc2cccs2)C(=S)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC000020107683 555641882 /nfs/dbraw/zinc/64/18/82/555641882.db2.gz DRQXMIUFADVHRU-UHFFFAOYSA-N 1 0 480.703 5.377 50 0 JKAARO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@H]3c1cc(Br)ccc1OCc1ccccn1 ZINC000020112188 555649263 /nfs/dbraw/zinc/64/92/63/555649263.db2.gz PUORPTODGSKYBQ-HSZRJFAPSA-N 1 0 464.363 5.148 50 0 biogenic JKAARO CC1=C(C)[C@H]([NH2+]C[C@@H]2CCCO2)N(C[C@]2(C)CCC[C@]3(C)c4ccc(C(C)C)cc4CC[C@H]23)C1=O ZINC000013940049 555650270 /nfs/dbraw/zinc/65/02/70/555650270.db2.gz UKAOSFBZTLJMQZ-VHEUPOIISA-N 1 0 478.721 6.094 50 0 JKAARO O=C(CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000010280896 555672296 /nfs/dbraw/zinc/67/22/96/555672296.db2.gz VTYHGXDYLKMOPV-UHFFFAOYSA-N 1 0 465.597 5.722 50 0 JKAARO CCOc1ccc(N(CC)C(=S)Nc2ccc3nc(N4CC[NH+](CC)CC4)cc(C)c3c2)cc1 ZINC000020153608 555673082 /nfs/dbraw/zinc/67/30/82/555673082.db2.gz HDZWVQNRKDUXBF-UHFFFAOYSA-N 1 0 477.678 5.307 50 0 JKAARO Cc1ccccc1/C=C1\Sc2ccc(C(=O)NCCC[N@H+]3C[C@H](C)C[C@H](C)C3)cc2N(C)C1=O ZINC000020180149 555686382 /nfs/dbraw/zinc/68/63/82/555686382.db2.gz GXZSORODJPBZCV-YWLYXACTSA-N 1 0 477.674 5.202 50 0 JKAARO C[N@H+](CCNC(=O)CN1C(=O)/C(=C\c2cccc(Cl)c2)Sc2ccccc21)Cc1ccccc1 ZINC000020181086 555687937 /nfs/dbraw/zinc/68/79/37/555687937.db2.gz SMHXGRJCTCNUIY-KOEQRZSOSA-N 1 0 492.044 5.068 50 0 JKAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)CN1c2ccccc2S/C(=C/c2ccc(C)cc2)C1=O ZINC000020181277 555688261 /nfs/dbraw/zinc/68/82/61/555688261.db2.gz UHJMRFHPFJXKQV-HWBIBUKPSA-N 1 0 477.674 5.246 50 0 JKAARO CCc1ccc(/C=C2/Sc3ccccc3N(CC(=O)NCCC[N@H+]3C[C@H](C)C[C@H](C)C3)C2=O)cc1 ZINC000020181662 555689170 /nfs/dbraw/zinc/68/91/70/555689170.db2.gz RFQXIKDFSPDZHX-RLZFMFFCSA-N 1 0 491.701 5.213 50 0 JKAARO CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000014121382 555694517 /nfs/dbraw/zinc/69/45/17/555694517.db2.gz KVWQKFXEDOCLSN-QFIPXVFZSA-N 1 0 462.421 5.372 50 0 JKAARO COc1ccc(-c2nc(C[NH+]3CCC(C(=O)N[C@H](C)CCc4ccccc4)CC3)c(C)o2)cc1OC ZINC000020240701 555736184 /nfs/dbraw/zinc/73/61/84/555736184.db2.gz CBAKSZNTAPTVAB-HXUWFJFHSA-N 1 0 491.632 5.017 50 0 JKAARO Cc1oc(-c2ccccc2C)nc1C[N@@H+]1CCC[C@@H](C(=O)NCCCSC2CCCCC2)C1 ZINC000020240911 555736191 /nfs/dbraw/zinc/73/61/91/555736191.db2.gz XUSHOEPIPIIBMM-JOCHJYFZSA-N 1 0 469.695 5.743 50 0 JKAARO CCc1ccc(-c2nc(C[N@@H+]3CCC[C@H](C(=O)NCc4ccc(Cl)cc4)C3)c(C)o2)cc1 ZINC000020240921 555736574 /nfs/dbraw/zinc/73/65/74/555736574.db2.gz WMAVXUPHUAVQOJ-QFIPXVFZSA-N 1 0 451.998 5.394 50 0 JKAARO Cc1oc(-c2cccc(Cl)c2)nc1C[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CCCc3ccccc32)C1 ZINC000020240986 555736627 /nfs/dbraw/zinc/73/66/27/555736627.db2.gz DURNCYDAOVCTLP-ZJSXRUAMSA-N 1 0 464.009 5.709 50 0 JKAARO C[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(CCCNC(=O)/C=C/c2ccc(Cl)cc2Cl)CC1 ZINC000020241383 555736770 /nfs/dbraw/zinc/73/67/70/555736770.db2.gz BAABIFGTXNHFLE-OATMUCBLSA-N 1 0 466.497 5.488 50 0 JKAARO C[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(CCCNC(=O)/C=C/c2ccc(Cl)cc2Cl)CC1 ZINC000020241378 555737027 /nfs/dbraw/zinc/73/70/27/555737027.db2.gz BAABIFGTXNHFLE-NZCFZJHXSA-N 1 0 466.497 5.488 50 0 JKAARO COc1ccc(OC)c(NC(=O)c2cc3cc(C4(O)CC[NH+](Cc5ccc(C)o5)CC4)ccc3o2)c1 ZINC000020271082 555748909 /nfs/dbraw/zinc/74/89/09/555748909.db2.gz FZPBRGMRXCOHIZ-UHFFFAOYSA-N 1 0 490.556 5.087 50 0 JKAARO Cc1nn(-c2ccc(C)cc2)c2nc(C)cc(C(=O)NCc3ccc(C[NH+]4CCCCCC4)o3)c12 ZINC000020284157 555753583 /nfs/dbraw/zinc/75/35/83/555753583.db2.gz VCVHEEWDSUVPDC-UHFFFAOYSA-N 1 0 471.605 5.245 50 0 JKAARO Cc1ccc(/C=C2/Sc3ccc(C(=O)NCCC[NH+]4C[C@H](C)C[C@@H](C)C4)cc3NC2=O)cc1 ZINC000020355264 555783020 /nfs/dbraw/zinc/78/30/20/555783020.db2.gz JWWONESRKYLGCZ-VMTUJZNWSA-N 1 0 463.647 5.178 50 0 JKAARO Cc1ccc(/C=C2/Sc3ccc(C(=O)NCCC[NH+](CC(C)C)CC(C)C)cc3NC2=O)cc1 ZINC000020355348 555783356 /nfs/dbraw/zinc/78/33/56/555783356.db2.gz HYZAFQDZJIHLDS-CVKSISIWSA-N 1 0 479.690 5.814 50 0 JKAARO C[C@@H]1C[C@@H](C)C[NH+](C[C@@H](O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)C1 ZINC000011612286 555789830 /nfs/dbraw/zinc/78/98/30/555789830.db2.gz KZNBPVRNIXGECF-IIDMSEBBSA-N 1 0 494.271 5.658 50 0 JKAARO C[NH+](C)CCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000011614390 555790947 /nfs/dbraw/zinc/79/09/47/555790947.db2.gz MEQKQOKWAFKGGX-RUZDIDTESA-N 1 0 488.971 5.132 50 0 JKAARO CCCOc1cccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCC[NH+](CC)CC)c1 ZINC000011614732 555791582 /nfs/dbraw/zinc/79/15/82/555791582.db2.gz QEBYDDLLANLDAE-RUZDIDTESA-N 1 0 462.590 5.167 50 0 JKAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000014359990 555798721 /nfs/dbraw/zinc/79/87/21/555798721.db2.gz LHLDUXKFWBRQMA-UHFFFAOYSA-N 1 0 455.989 5.950 50 0 JKAARO Cc1ccc(NC(=O)N[C@@H](CCC(C)C)c2c3c(sc2-n2cccc2)C[N@@H+](C)CC3)cc1Cl ZINC000020532148 555800423 /nfs/dbraw/zinc/80/04/23/555800423.db2.gz CXVKVYXXDKNLDB-QFIPXVFZSA-N 1 0 485.097 6.788 50 0 JKAARO CCOc1ccccc1NC(=O)N[C@H](CCC(C)C)c1c2c(sc1-n1cccc1)C[N@@H+](C)CC2 ZINC000020532166 555800444 /nfs/dbraw/zinc/80/04/44/555800444.db2.gz YEAOGRYJZRIBSZ-JOCHJYFZSA-N 1 0 480.678 6.224 50 0 JKAARO Cc1ccc(NC(=O)N[C@H](CCC(C)C)c2c3c(sc2-n2cccc2)C[N@@H+](C)CC3)cc1 ZINC000020532157 555800457 /nfs/dbraw/zinc/80/04/57/555800457.db2.gz CXMJICNVTSYAKF-JOCHJYFZSA-N 1 0 450.652 6.134 50 0 JKAARO Cc1ccc(NC(=O)N[C@H](CCC(C)C)c2c3c(sc2-n2cccc2)C[N@@H+](C)CC3)cc1Cl ZINC000020532147 555800467 /nfs/dbraw/zinc/80/04/67/555800467.db2.gz CXVKVYXXDKNLDB-JOCHJYFZSA-N 1 0 485.097 6.788 50 0 JKAARO Cc1ccc(NC(=O)N[C@H](CCC(C)C)c2c3c(sc2-n2cccc2)C[N@@H+](C)CC3)cc1C ZINC000020532149 555800488 /nfs/dbraw/zinc/80/04/88/555800488.db2.gz JOPWXRBWGPTFKS-HSZRJFAPSA-N 1 0 464.679 6.443 50 0 JKAARO Cc1ccc(NC(=O)N[C@@H](CCC(C)C)c2c3c(sc2-n2cccc2)C[N@@H+](C)CC3)cc1 ZINC000020532158 555800514 /nfs/dbraw/zinc/80/05/14/555800514.db2.gz CXMJICNVTSYAKF-QFIPXVFZSA-N 1 0 450.652 6.134 50 0 JKAARO Cc1ccc(NC(=O)N[C@@H](CCC(C)C)c2c3c(sc2-n2cccc2)C[N@@H+](C)CC3)cc1F ZINC000020532170 555800529 /nfs/dbraw/zinc/80/05/29/555800529.db2.gz ZGCZAXXBIJHCLO-QFIPXVFZSA-N 1 0 468.642 6.273 50 0 JKAARO CC(C)CC[C@H](NC(=O)Nc1ccc2c(c1)OCCO2)c1c2c(sc1-n1cccc1)C[N@@H+](C)CC2 ZINC000020532178 555800957 /nfs/dbraw/zinc/80/09/57/555800957.db2.gz VJGABLCCOSXGIA-NRFANRHFSA-N 1 0 494.661 5.597 50 0 JKAARO COc1ccc(C)cc1NC(=O)N[C@@H](CCC(C)C)c1c2c(sc1-n1cccc1)C[N@@H+](C)CC2 ZINC000020532175 555800980 /nfs/dbraw/zinc/80/09/80/555800980.db2.gz FZMSNDRRYKMKQY-NRFANRHFSA-N 1 0 480.678 6.143 50 0 JKAARO CC(C)CC[C@H](NC(=O)NCc1ccccc1)c1c2c(sc1-n1cccc1)C[N@@H+](C)CC2 ZINC000020532182 555800994 /nfs/dbraw/zinc/80/09/94/555800994.db2.gz JABICFYXMPDGGP-QFIPXVFZSA-N 1 0 450.652 5.503 50 0 JKAARO CC(C)CC[C@@H](NC(=O)Nc1ccc2c(c1)OCCO2)c1c2c(sc1-n1cccc1)C[N@@H+](C)CC2 ZINC000020532177 555801031 /nfs/dbraw/zinc/80/10/31/555801031.db2.gz VJGABLCCOSXGIA-OAQYLSRUSA-N 1 0 494.661 5.597 50 0 JKAARO CC[N@@H+]1CCc2c(sc(-n3cccc3)c2[C@@H](CCC(C)C)NC(=O)Nc2ccccc2OC)C1 ZINC000020532183 555801041 /nfs/dbraw/zinc/80/10/41/555801041.db2.gz APVITPSWJNWBGP-JOCHJYFZSA-N 1 0 480.678 6.224 50 0 JKAARO CCOCCCNC(=O)N[C@@H](CCC(C)C)c1c2c(sc1-n1cccc1)C[N@@H+](CC)CC2 ZINC000020532207 555801072 /nfs/dbraw/zinc/80/10/72/555801072.db2.gz BWYZFVSZPXLGIR-NRFANRHFSA-N 1 0 460.688 5.120 50 0 JKAARO CC[C@@H](NC(=O)Nc1cc(C)ccc1OC)c1c2c(sc1-n1cccc1)C[N@@H+](CC)CC2 ZINC000020532223 555801163 /nfs/dbraw/zinc/80/11/63/555801163.db2.gz SERZXRBTGGVFSU-LJQANCHMSA-N 1 0 452.624 5.507 50 0 JKAARO CC[N@@H+]1CCc2c(sc(-n3cccc3)c2[C@@H](C)NC(=O)Nc2ccc(Br)c(C)c2)C1 ZINC000020532247 555801415 /nfs/dbraw/zinc/80/14/15/555801415.db2.gz ATGBNPYKOIJJLY-MRXNPFEDSA-N 1 0 487.467 5.870 50 0 JKAARO COc1cccc(NC(=O)N(Cc2ccc3c(c2)OCO3)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000020532291 555801667 /nfs/dbraw/zinc/80/16/67/555801667.db2.gz WWUXJRQSAJTGRZ-UHFFFAOYSA-N 1 0 473.573 5.123 50 0 JKAARO O=C(Nc1cccc(Cl)c1)N(Cc1ccc2c(c1)OCO2)C1CC[NH+](Cc2ccccc2)CC1 ZINC000020532292 555801676 /nfs/dbraw/zinc/80/16/76/555801676.db2.gz ACQPXQOZRQVRRG-UHFFFAOYSA-N 1 0 477.992 5.767 50 0 JKAARO Cc1ccccc1-c1cccc(C[NH+]2CCC(n3nccc3NC(=O)c3cccnc3)CC2)c1 ZINC000011715985 555805208 /nfs/dbraw/zinc/80/52/08/555805208.db2.gz SHQXXYUJUZIXLA-UHFFFAOYSA-N 1 0 451.574 5.343 50 0 JKAARO COCc1ccc(C[NH+]2CCC(c3nnc(SCC4CCCCC4)n3C[C@@H]3CCCO3)CC2)o1 ZINC000011782873 555813607 /nfs/dbraw/zinc/81/36/07/555813607.db2.gz RCMWTNBZRILFHA-QFIPXVFZSA-N 1 0 488.698 5.249 50 0 JKAARO CCn1nc(C)c(C[NH+]2CCC([C@H](Cc3ccccc3)N(C(=O)c3ccco3)C3CC3)CC2)c1C ZINC000011782868 555813695 /nfs/dbraw/zinc/81/36/95/555813695.db2.gz NESOUMTYNUXVCX-MHZLTWQESA-N 1 0 474.649 5.241 50 0 JKAARO CC(C)NC(=O)[C@@H]1C[C@H](Sc2nc3ccccc3[nH]2)C[N@@H+]1CC(c1ccccc1)c1ccccc1 ZINC000011784525 555816296 /nfs/dbraw/zinc/81/62/96/555816296.db2.gz DPRFQQXTEBBHQO-HOFKKMOUSA-N 1 0 484.669 5.455 50 0 JKAARO COCCCN1C(=O)N(Cc2ccc3ccccc3c2)C(=O)C12CC[NH+](Cc1ccc(C)s1)CC2 ZINC000014530812 555817589 /nfs/dbraw/zinc/81/75/89/555817589.db2.gz GKERWTCOPCAWJG-UHFFFAOYSA-N 1 0 491.657 5.045 50 0 JKAARO COCCN1C(=O)N(Cc2ccccc2)C2(CC[NH+](Cc3cccc(-c4ccccc4C)c3)CC2)C1=O ZINC000014531526 555818926 /nfs/dbraw/zinc/81/89/26/555818926.db2.gz FGBFWOFHPZQSLF-UHFFFAOYSA-N 1 0 497.639 5.107 50 0 JKAARO COC(=O)c1sc2nc(C[N@@H+]3CCC[C@H](C)C3)ccc2c1NC(=O)c1c(F)cccc1Cl ZINC000011787099 555820880 /nfs/dbraw/zinc/82/08/80/555820880.db2.gz RBXLNBQDOMWAMJ-ZDUSSCGKSA-N 1 0 475.973 5.360 50 0 JKAARO COc1cccc(CN2C(=O)N(CCC(C)C)C3(CC[NH+](Cc4cc5ccccc5[nH]4)CC3)C2=O)c1 ZINC000014533598 555821935 /nfs/dbraw/zinc/82/19/35/555821935.db2.gz AZISHKJGMWFSAC-UHFFFAOYSA-N 1 0 488.632 5.022 50 0 JKAARO O=C(NC1CCCC1)[C@@H]1C[C@H](COc2cccc(F)c2)C[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000014535729 555824629 /nfs/dbraw/zinc/82/46/29/555824629.db2.gz NDVMBFFOAUPVAA-WIOPSUGQSA-N 1 0 460.593 5.555 50 0 JKAARO O=C(NC1CCCCC1)[C@@H]1C[C@H](COc2cccc(C(F)(F)F)c2)C[N@@H+](Cc2ccccc2)C1 ZINC000014536317 555825407 /nfs/dbraw/zinc/82/54/07/555825407.db2.gz QJYPQMDBWCOSKV-FCHUYYIVSA-N 1 0 474.567 5.671 50 0 JKAARO O=C(Nc1cccc(N2CCC([NH2+]CC[C@@H](c3ccco3)c3ccccc3)CC2)c1)c1cccnc1 ZINC000011790645 555826910 /nfs/dbraw/zinc/82/69/10/555826910.db2.gz CCLNOQVEZJHIJC-MUUNZHRXSA-N 1 0 480.612 5.708 50 0 JKAARO Cc1ccc(C[NH+]2CCC3(CC2)C(=O)N(Cc2ccccc2)C(=O)N3CCc2ccccc2)s1 ZINC000014537430 555827036 /nfs/dbraw/zinc/82/70/36/555827036.db2.gz IFFAONSYWYRKGX-UHFFFAOYSA-N 1 0 473.642 5.098 50 0 JKAARO Fc1ccc(CSc2nnc(C3CC[NH+](Cc4cccc(F)c4)CC3)n2C[C@@H]2CCCO2)cc1 ZINC000011813264 555828875 /nfs/dbraw/zinc/82/88/75/555828875.db2.gz AHPGASWAYWPQMY-DEOSSOPVSA-N 1 0 484.616 5.407 50 0 JKAARO CN(C(=O)c1cccs1)[C@H](Cc1ccccc1)C1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000011813227 555828885 /nfs/dbraw/zinc/82/88/85/555828885.db2.gz KKQWVAZEHYHXAP-HSZRJFAPSA-N 1 0 462.615 5.072 50 0 JKAARO COc1ccc(C[NH+]2CCC(c3nnc(SCC4CCCCC4)n3C[C@H]3CCCO3)CC2)cc1C ZINC000011815448 555830201 /nfs/dbraw/zinc/83/02/01/555830201.db2.gz KVSJVQJOOGAYGY-RUZDIDTESA-N 1 0 498.737 5.826 50 0 JKAARO CCOC(=O)C1(Cc2cccc(C(F)(F)F)c2)CC[NH+](Cc2cc(OC)cc(OC)c2)CC1 ZINC000011818615 555831189 /nfs/dbraw/zinc/83/11/89/555831189.db2.gz NMFCNGLXUZYSEV-UHFFFAOYSA-N 1 0 465.512 5.111 50 0 JKAARO Cc1nc(N2CCC(C(=O)NCC3CC[NH+](C4CCCC4)CC3)CC2)nc2ccc(C(C)C)cc12 ZINC000011838581 555831849 /nfs/dbraw/zinc/83/18/49/555831849.db2.gz RUIJAMLEQMJDRS-UHFFFAOYSA-N 1 0 477.697 5.049 50 0 JKAARO COc1cc(C[NH+]2CCC3(C[C@H]3C(=O)NCCC(c3ccccc3)c3ccccc3)CC2)ccc1O ZINC000014987880 555841844 /nfs/dbraw/zinc/84/18/44/555841844.db2.gz WCIVSGWAFQIESG-MHZLTWQESA-N 1 0 484.640 5.341 50 0 JKAARO C[N@H+](Cc1ccc(OCCNC(=O)[C@H]2CCOC(C)(C)C2)cc1)Cc1cccc2ccccc21 ZINC000014999423 555843744 /nfs/dbraw/zinc/84/37/44/555843744.db2.gz MWWUEKFAMVCJRX-DEOSSOPVSA-N 1 0 460.618 5.172 50 0 JKAARO Fc1ccc([C@@H](c2nnc(-c3ccccc3)o2)N2CC[NH+](C3CCCCC3)CC2)c(Cl)c1 ZINC000020602843 555843809 /nfs/dbraw/zinc/84/38/09/555843809.db2.gz DYRFJHWVOYPLRH-QHCPKHFHSA-N 1 0 454.977 5.569 50 0 JKAARO COc1ccccc1NC(=O)c1cc2cc(C3(O)CC[NH+](Cc4cccc(F)c4)CC3)ccc2o1 ZINC000015000440 555845134 /nfs/dbraw/zinc/84/51/34/555845134.db2.gz JOKHQYQHQBSKOK-UHFFFAOYSA-N 1 0 474.532 5.316 50 0 JKAARO COc1ccccc1/C=C/C[NH+]1CCC2(CC1)c1ccccc1[C@@H](NC(=O)c1cccs1)[C@@H]2OC ZINC000011871137 555846760 /nfs/dbraw/zinc/84/67/60/555846760.db2.gz KTGWLRSZKJIMSY-LVCSZDGVSA-N 1 0 488.653 5.303 50 0 JKAARO c1csc(C[NH+]2CCC(c3nnc(SC[C@H]4CCCO4)n3Cc3ccccc3)CC2)c1 ZINC000011871437 555846770 /nfs/dbraw/zinc/84/67/70/555846770.db2.gz AGVWPPXEKWFZIO-OAQYLSRUSA-N 1 0 454.665 5.039 50 0 JKAARO COc1ccc2ccccc2c1Cn1cnc2sc3c(c2c1=O)CC[C@@H]([NH2+]Cc1ccccc1)C3 ZINC000015002993 555848196 /nfs/dbraw/zinc/84/81/96/555848196.db2.gz ZJLFVZBUCDTAFA-OAQYLSRUSA-N 1 0 481.621 5.315 50 0 JKAARO COc1ccc(C[NH+]2CCC(c3nnc(SCC4CCCCC4)n3C[C@H]3CCCO3)CC2)cc1 ZINC000015005324 555849859 /nfs/dbraw/zinc/84/98/59/555849859.db2.gz LWTUUYWRNNSOCN-RUZDIDTESA-N 1 0 484.710 5.518 50 0 JKAARO O=C(CCCCc1ccccc1)Nc1ccc(N2CCC([NH2+]CCc3ccncc3)CC2)cc1 ZINC000011881575 555849983 /nfs/dbraw/zinc/84/99/83/555849983.db2.gz AQTFDIJNDZFVQK-UHFFFAOYSA-N 1 0 456.634 5.234 50 0 JKAARO Cc1cccc(C[NH+]2CCC(O)(c3ccc4oc(C(=O)NCCc5cccc(F)c5)cc4c3)CC2)c1 ZINC000015005510 555850155 /nfs/dbraw/zinc/85/01/55/555850155.db2.gz PMUQEPOSEDUQRX-UHFFFAOYSA-N 1 0 486.587 5.336 50 0 JKAARO O=C(CC1CCCC1)Nc1cccc(N2CCC([NH2+]Cc3cc(-c4ccccc4)on3)CC2)c1 ZINC000015006748 555851213 /nfs/dbraw/zinc/85/12/13/555851213.db2.gz ZKMUKHSNZWLWNV-UHFFFAOYSA-N 1 0 458.606 5.619 50 0 JKAARO C[N@H+](Cc1cccs1)Cc1ccc(OCC[C@H]2CCCCN2C(=O)c2ccc3ccccc3n2)cc1 ZINC000011909841 555856986 /nfs/dbraw/zinc/85/69/86/555856986.db2.gz BNAZRCAGTPOJSG-RUZDIDTESA-N 1 0 499.680 6.392 50 0 JKAARO Fc1ccc(C[NH+]2CCC(c3nnc(SCc4cccnc4)n3Cc3ccccc3)CC2)cc1 ZINC000011910236 555857363 /nfs/dbraw/zinc/85/73/63/555857363.db2.gz ZPURQGRHTSWEHI-UHFFFAOYSA-N 1 0 473.621 5.532 50 0 JKAARO CCN(Cc1ccccc1)C(=O)COc1ccc(-c2nc3ccccc3s2)cc1C[NH+](C)C ZINC000011910003 555857436 /nfs/dbraw/zinc/85/74/36/555857436.db2.gz ZCJTWQMUVMCTOJ-UHFFFAOYSA-N 1 0 459.615 5.452 50 0 JKAARO C[C@@H](c1cccs1)[N@H+](C)Cc1cc(-c2ccccc2)ccc1OCC(=O)Nc1ccccc1F ZINC000011910320 555857677 /nfs/dbraw/zinc/85/76/77/555857677.db2.gz NAPWFYGEICKPOR-FQEVSTJZSA-N 1 0 474.601 6.765 50 0 JKAARO O=C(NC[C@H]1CCC2(CC[NH+](Cc3ccc(OCc4ccccc4)cc3)CC2)O1)c1ccccc1 ZINC000011910402 555857775 /nfs/dbraw/zinc/85/77/75/555857775.db2.gz QKZMTBZVSDPFJL-MUUNZHRXSA-N 1 0 470.613 5.209 50 0 JKAARO O=C1CCCc2c3ccccc3n(CCC[NH+]3CCN(C(c4ccccc4)c4ccccc4)CC3)c21 ZINC000022035488 555865185 /nfs/dbraw/zinc/86/51/85/555865185.db2.gz ZTLJKVOKAFULTA-UHFFFAOYSA-N 1 0 477.652 5.958 50 0 JKAARO Fc1ccc(CSc2nnc(C3CC[NH+](Cc4ccccc4F)CC3)n2C[C@@H]2CCCO2)cc1 ZINC000015067258 555867432 /nfs/dbraw/zinc/86/74/32/555867432.db2.gz MNTSCVQFCWJPIV-QHCPKHFHSA-N 1 0 484.616 5.407 50 0 JKAARO CN(Cc1cccc2cccnc21)C(=O)c1cc2cc(C3(O)CC[NH+](C4CCC4)CC3)ccc2o1 ZINC000015069801 555869414 /nfs/dbraw/zinc/86/94/14/555869414.db2.gz GBEOZZAZOMMMME-UHFFFAOYSA-N 1 0 469.585 5.089 50 0 JKAARO C[N@H+](CCc1ccccc1)Cc1ccc(OC[C@@H]2CCCN(C(=O)c3cccc(F)c3)C2)cc1 ZINC000015069524 555869508 /nfs/dbraw/zinc/86/95/08/555869508.db2.gz ZDGFDAVCRPRIOV-RUZDIDTESA-N 1 0 460.593 5.431 50 0 JKAARO O[C@@H](COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000022107306 555874366 /nfs/dbraw/zinc/87/43/66/555874366.db2.gz ICIBSNAOQXRBGZ-XXSZCZDYSA-N 1 0 459.674 5.849 50 0 JKAARO CCC(CC)C(=O)N1CCC[C@H](COc2ccc(C[NH+]3CCC(c4ccccc4)CC3)cc2)C1 ZINC000011980978 555876497 /nfs/dbraw/zinc/87/64/97/555876497.db2.gz DEZIEPRVZGHWBE-VWLOTQADSA-N 1 0 462.678 6.120 50 0 JKAARO C[NH+](C)Cc1cc(-c2nc3ccccc3s2)ccc1OCC(=O)NC1C2CC3CC(C2)CC1C3 ZINC000011983355 555877278 /nfs/dbraw/zinc/87/72/78/555877278.db2.gz HJDOEDFYFPEPIK-UHFFFAOYSA-N 1 0 475.658 5.345 50 0 JKAARO COc1ccc(/C=C/C[NH+]2CCC([C@@H](Cc3ccc(F)cc3F)N(C)C(=O)c3ccco3)CC2)cc1 ZINC000012002440 555882745 /nfs/dbraw/zinc/88/27/45/555882745.db2.gz AKGBEISSEZILHR-VJZXDCJYSA-N 1 0 494.582 5.675 50 0 JKAARO COc1ccccc1/C=C/C[NH+]1CCC2(CC1)c1ccccc1[C@@H](NC(=O)Cc1ccccc1)[C@@H]2OC ZINC000012036435 555889386 /nfs/dbraw/zinc/88/93/86/555889386.db2.gz MAAGVKXUCYVRKL-ZDAMPBKHSA-N 1 0 496.651 5.171 50 0 JKAARO COc1cccc(C[NH+]2CCC(c3nnc(SCC4CCCCC4)n3C[C@@H]3CCCO3)CC2)c1 ZINC000012038514 555891625 /nfs/dbraw/zinc/89/16/25/555891625.db2.gz UPOZOZAFRLTFSN-VWLOTQADSA-N 1 0 484.710 5.518 50 0 JKAARO CO[C@H]1[C@H](NC(=O)CSC)c2ccccc2C12CC[NH+](Cc1[nH]c3c(cccc3Cl)c1C)CC2 ZINC000012039138 555892013 /nfs/dbraw/zinc/89/20/13/555892013.db2.gz IIIAHPJTWHYBSA-FTJBHMTQSA-N 1 0 498.092 5.212 50 0 JKAARO COc1cccc(OC)c1C[NH+]1CCC([C@H](Cc2ccccc2Cl)N(C)C(=O)c2ccco2)CC1 ZINC000012041787 555894461 /nfs/dbraw/zinc/89/44/61/555894461.db2.gz AFGFUCPXPWSBFV-DEOSSOPVSA-N 1 0 497.035 5.546 50 0 JKAARO O=C([C@@H]1CC12CC[NH+](Cc1ccc(-c3cccc(Cl)c3)o1)CC2)N1CCN(c2ccccc2)CC1 ZINC000012056196 555898533 /nfs/dbraw/zinc/89/85/33/555898533.db2.gz SBJHVGPCOWCRNE-SANMLTNESA-N 1 0 490.047 5.551 50 0 JKAARO COc1cc2cc(C[NH2+]Cc3ccc(Cl)cc3)c(=O)n(CC3CCCCC3)c2cc1OC ZINC000012056380 555898851 /nfs/dbraw/zinc/89/88/51/555898851.db2.gz XOGNCCHJLRWJOV-UHFFFAOYSA-N 1 0 454.998 5.542 50 0 JKAARO COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(O)c(Cl)c3)C2)cc1 ZINC000012058206 555899138 /nfs/dbraw/zinc/89/91/38/555899138.db2.gz RFLFASDGHWWOFX-HXUWFJFHSA-N 1 0 450.966 5.572 50 0 JKAARO O[C@@H](COC(c1ccc(F)cc1)c1ccc(F)cc1)C[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000015346609 555899655 /nfs/dbraw/zinc/89/96/55/555899655.db2.gz OJGYIUXGMDNGIG-XMMPIXPASA-N 1 0 494.607 5.921 50 0 JKAARO O=C(Nc1cccc(N2CCC([NH2+]CCc3ccccc3C(F)(F)F)CC2)c1)c1ccncc1 ZINC000012098271 555905093 /nfs/dbraw/zinc/90/50/93/555905093.db2.gz YWNDKVILUQWAJX-UHFFFAOYSA-N 1 0 468.523 5.154 50 0 JKAARO Cc1ccc(C[N@@H+]2C[C@@H](Sc3nc4ccccc4[nH]3)C[C@H]2C(=O)NCCc2cccc(F)c2)cc1 ZINC000012098421 555905493 /nfs/dbraw/zinc/90/54/93/555905493.db2.gz LZJQMBAEBLQLIZ-OZXSUGGESA-N 1 0 488.632 5.105 50 0 JKAARO C[N@H+](Cc1cccc(OCC[C@H]2CCCCN2C(=O)C2CC2)c1)Cc1cccc2cccnc21 ZINC000012099047 555906340 /nfs/dbraw/zinc/90/63/40/555906340.db2.gz KTCZOWLEOKMGQP-AREMUKBSSA-N 1 0 457.618 5.427 50 0 JKAARO COc1cc(C[NH+]2CCC(c3nc(-c4ccncc4)ncc3-c3cccc(C)c3)CC2)ccc1F ZINC000012133259 555912251 /nfs/dbraw/zinc/91/22/51/555912251.db2.gz HLMLEXFBQFGHKY-UHFFFAOYSA-N 1 0 468.576 6.041 50 0 JKAARO CC[NH+](CC)CCN(C(=O)CCSc1ccccc1)c1nc2c(s1)c(C)ccc2OC ZINC000012140906 555920165 /nfs/dbraw/zinc/92/01/65/555920165.db2.gz ZSMMJDPWXFYQDG-UHFFFAOYSA-N 1 0 457.665 5.471 50 0 JKAARO CCOc1cccc2sc(N(CCC[NH+](C)C)C(=O)c3ccccc3Oc3ccccc3)nc21 ZINC000012140985 555920498 /nfs/dbraw/zinc/92/04/98/555920498.db2.gz LQHVWTKDXQBFNW-UHFFFAOYSA-N 1 0 475.614 6.086 50 0 JKAARO CCC[N@H+]1CC(=Cc2cccc3ccccc23)C2=NC(=S)N[C@@H](c3cccc4ccccc43)C2C1 ZINC000015636301 555920726 /nfs/dbraw/zinc/92/07/26/555920726.db2.gz CCBFBQSLGTZNJH-ZZHMVEQJSA-N 1 0 475.661 6.575 50 0 JKAARO O=C(NCCc1cccc(F)c1)[C@@H]1C[C@H](Sc2nc3ccccc3[nH]2)C[N@@H+]1CC1CCCCC1 ZINC000012151297 555923767 /nfs/dbraw/zinc/92/37/67/555923767.db2.gz QNYDIEXUDUXPDV-DHLKQENFSA-N 1 0 480.653 5.176 50 0 JKAARO O=c1c2c(ncn1CCc1ccccn1)sc1c2CC[C@H]([NH2+]CC2(c3ccccc3)CCCC2)C1 ZINC000012151716 555924841 /nfs/dbraw/zinc/92/48/41/555924841.db2.gz RBVWIVIQWSBBTQ-QHCPKHFHSA-N 1 0 484.669 5.055 50 0 JKAARO COc1cccc(-c2nc3c(OC)ccc(OC)c3cc2C[NH2+][C@H]2CCCc3ccccc32)c1 ZINC000012152726 555926995 /nfs/dbraw/zinc/92/69/95/555926995.db2.gz WVTFKKQBLDGXHL-VWLOTQADSA-N 1 0 454.570 6.095 50 0 JKAARO O=C(CC1CCCC1)Nc1cccc(N2CCC([NH2+]Cc3scnc3-c3ccccc3)CC2)c1 ZINC000012152718 555927007 /nfs/dbraw/zinc/92/70/07/555927007.db2.gz NPJHCZANNCAGIY-UHFFFAOYSA-N 1 0 474.674 6.088 50 0 JKAARO COc1cccc(-c2cnc(-c3ccncc3)nc2C2CC[NH+](Cc3ccc(OC)c(C)c3)CC2)c1 ZINC000012155303 555927901 /nfs/dbraw/zinc/92/79/01/555927901.db2.gz ZUQDUGBKJJZCEK-UHFFFAOYSA-N 1 0 480.612 5.911 50 0 JKAARO C/C(=C\c1ccccc1)C[N@H+]1CCc2nnc([C@@H](CC(C)C)NC(=O)c3cc(C)cc(C)c3)n2CC1 ZINC000012157830 555928966 /nfs/dbraw/zinc/92/89/66/555928966.db2.gz AGPSQIUFHFOWSB-QEYQTOMISA-N 1 0 485.676 5.374 50 0 JKAARO COc1cccc(C[NH+]2CCC([C@@H](Cc3ccc(F)cc3F)N(C)C(=O)c3ccco3)CC2)c1 ZINC000012159679 555930355 /nfs/dbraw/zinc/93/03/55/555930355.db2.gz MNJJLWJGYVQOKL-RUZDIDTESA-N 1 0 468.544 5.162 50 0 JKAARO C[C@@]1(C(=O)NC2CCCCCCC2)Cn2c3ccsc3cc2C(=O)N1CCC[NH+]1CCCCC1 ZINC000015672913 555930788 /nfs/dbraw/zinc/93/07/88/555930788.db2.gz DTOTYRHIVLIUIT-MHZLTWQESA-N 1 0 484.710 5.022 50 0 JKAARO C[C@@]1(C(=O)NC2CCCCCCC2)Cn2c3ccsc3cc2C(=O)N1CC[NH+]1CCCCCC1 ZINC000015672921 555930820 /nfs/dbraw/zinc/93/08/20/555930820.db2.gz NHRAWLLTGVLTFO-MHZLTWQESA-N 1 0 484.710 5.022 50 0 JKAARO C[C@]1(C(=O)NC2CCCCCCC2)Cn2c3ccsc3cc2C(=O)N1CCC[NH+]1CCCCC1 ZINC000015672915 555930901 /nfs/dbraw/zinc/93/09/01/555930901.db2.gz DTOTYRHIVLIUIT-HHHXNRCGSA-N 1 0 484.710 5.022 50 0 JKAARO COc1ccc(C[NH+]2CCC(c3ncncc3-c3cccc(C(F)(F)F)c3)CC2)c(Cl)c1OC ZINC000012161307 555931007 /nfs/dbraw/zinc/93/10/07/555931007.db2.gz RIICFGWPSQSSBN-UHFFFAOYSA-N 1 0 491.941 6.213 50 0 JKAARO COc1ccc(/C=C/C[N@@H+]2CC[C@H]3[C@H](CCC(=O)N3Cc3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000012162942 555931627 /nfs/dbraw/zinc/93/16/27/555931627.db2.gz WDKDXJONLPACMN-OVAAIJKMSA-N 1 0 458.524 5.240 50 0 JKAARO CCc1cc2c(cc3n2C[C@](C)(C(=O)NC2CCCCC2)N(CC[N@H+](C)C2CCCCC2)C3=O)s1 ZINC000015673241 555932005 /nfs/dbraw/zinc/93/20/05/555932005.db2.gz UIJKTELPEHVNNU-MUUNZHRXSA-N 1 0 498.737 5.193 50 0 JKAARO CC[C@@H]1CCCC[N@@H+]1CCCN1C(=O)c2cc3occc3n2C[C@@]1(C)C(=O)NC1CCCCCCC1 ZINC000015675641 555934135 /nfs/dbraw/zinc/93/41/35/555934135.db2.gz USBLMRWLZXNQLB-BTYSJIOQSA-N 1 0 496.696 5.333 50 0 JKAARO C[N@H+](CCCN1C(=O)c2cc3occc3n2C[C@]1(C)C(=O)NC1CCCCCCC1)C1CCCCC1 ZINC000015675667 555934151 /nfs/dbraw/zinc/93/41/51/555934151.db2.gz ZASWSVJJXYDRTJ-GDLZYMKVSA-N 1 0 496.696 5.333 50 0 JKAARO Cc1cc2c(cc3n2C[C@@](C)(C(=O)NC2CCCCCC2)N(CC[NH+](CC(C)C)CC(C)C)C3=O)o1 ZINC000015675935 555935378 /nfs/dbraw/zinc/93/53/78/555935378.db2.gz BFLBLJLIZXEDLE-LJAQVGFWSA-N 1 0 498.712 5.210 50 0 JKAARO CO[C@H]1[C@H](NC(=O)c2ccsc2)c2ccccc2C12CC[NH+](Cc1cc(F)ccc1F)CC2 ZINC000012183909 555936081 /nfs/dbraw/zinc/93/60/81/555936081.db2.gz MRGZHRIMXAYGKE-RPWUZVMVSA-N 1 0 468.569 5.060 50 0 JKAARO Cc1ccsc1C(=O)N1CCC[C@@H](COc2ccc(C[NH+]3CCC(c4ccccc4)CC3)cc2)C1 ZINC000012191421 555938878 /nfs/dbraw/zinc/93/88/78/555938878.db2.gz LQQYPBZJZURPEG-RUZDIDTESA-N 1 0 488.697 6.367 50 0 JKAARO O=C(c1ccco1)N([C@@H](Cc1ccccc1)C1CC[NH+](C/C=C/c2ccccc2)CC1)C1CC1 ZINC000012192412 555939098 /nfs/dbraw/zinc/93/90/98/555939098.db2.gz KSRIKUKNOFXISI-OWNNABMUSA-N 1 0 454.614 5.921 50 0 JKAARO O=C(Cc1ccsc1)N1CCC[C@H](COc2ccc(C[NH+]3CCC(c4ccccc4)CC3)cc2)C1 ZINC000012211554 555942990 /nfs/dbraw/zinc/94/29/90/555942990.db2.gz XQHFYCSRFIMSED-SANMLTNESA-N 1 0 488.697 5.988 50 0 JKAARO COc1ccc(C[N@@H+]2C[C@H](Sc3ccc(F)cc3)C[C@H]2C(=O)NC2CC2)c2ccccc12 ZINC000012211758 555943103 /nfs/dbraw/zinc/94/31/03/555943103.db2.gz TVOBNUQIHMTCOI-QPPBQGQZSA-N 1 0 450.579 5.001 50 0 JKAARO Cc1ccccc1-c1cc2c(c(OC[C@H]3CCOC3)c1)OCC[N@H+](Cc1cccc3cccnc31)C2 ZINC000012211788 555943395 /nfs/dbraw/zinc/94/33/95/555943395.db2.gz FYEGXGHGWQNFEF-QHCPKHFHSA-N 1 0 480.608 6.020 50 0 JKAARO Cc1ccccc1Cn1cc(CCC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c2ccccc21 ZINC000015678405 555943738 /nfs/dbraw/zinc/94/37/38/555943738.db2.gz VNCWSODZKUNVPM-UHFFFAOYSA-N 1 0 465.641 5.711 50 0 JKAARO FC(F)(F)c1cccc(-c2c[nH]nc2C2CC[NH+](Cc3ccc(Oc4ncccn4)cc3)CC2)c1 ZINC000012242244 555945615 /nfs/dbraw/zinc/94/56/15/555945615.db2.gz QDJXYKYLNFDRLS-UHFFFAOYSA-N 1 0 479.506 6.057 50 0 JKAARO O=C(Nc1cccc(N2CCC([NH2+]CC[C@@H](c3ccco3)c3ccc(F)cc3)CC2)c1)c1ccncc1 ZINC000012243011 555946119 /nfs/dbraw/zinc/94/61/19/555946119.db2.gz STHSDPFCZWRXFM-MUUNZHRXSA-N 1 0 498.602 5.847 50 0 JKAARO O=C(Nc1ccccc1Cl)N(Cc1ccc2c(c1)OCO2)C1CC[NH+](Cc2ccccc2)CC1 ZINC000015679709 555946568 /nfs/dbraw/zinc/94/65/68/555946568.db2.gz HYKXKCFVQKXSMM-UHFFFAOYSA-N 1 0 477.992 5.767 50 0 JKAARO O=C(Nc1ccccc1F)N(Cc1ccc2c(c1)OCO2)C1CC[NH+](Cc2ccccc2)CC1 ZINC000015679721 555946863 /nfs/dbraw/zinc/94/68/63/555946863.db2.gz WTPXRRDHDBQQLT-UHFFFAOYSA-N 1 0 461.537 5.253 50 0 JKAARO C[C@@H](Cc1ccsc1)[NH2+]C1CCN(c2ccc(NC(=O)Cc3cccc(Cl)c3)cc2)CC1 ZINC000012247825 555947006 /nfs/dbraw/zinc/94/70/06/555947006.db2.gz XAFXVCDSBAHJFE-IBGZPJMESA-N 1 0 468.066 5.772 50 0 JKAARO Cc1ccc(-n2ncc(C(=O)NCCC[N@H+](Cc3ccccc3)C(C)C)c2-n2cccc2)cc1 ZINC000015681283 555950224 /nfs/dbraw/zinc/95/02/24/555950224.db2.gz HFDSIZULSITTEF-UHFFFAOYSA-N 1 0 455.606 5.002 50 0 JKAARO Cc1nn(-c2ccc(C)cc2)c(-n2cccc2)c1C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000015681427 555950342 /nfs/dbraw/zinc/95/03/42/555950342.db2.gz SSMALIJKKUKQDF-UHFFFAOYSA-N 1 0 467.617 5.764 50 0 JKAARO Cc1oc(-c2ccc(C(=O)NCCC[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)nc1COc1ccc(C)cc1 ZINC000015682144 555951519 /nfs/dbraw/zinc/95/15/19/555951519.db2.gz NOULYPZJGSRMQL-SZPZYZBQSA-N 1 0 475.633 5.635 50 0 JKAARO O=c1c([C@@H](C[NH+]2CCCCC2)c2ccccc2Cl)nc(-c2ccccc2)nn1CN1CCCCC1 ZINC000012340827 555953563 /nfs/dbraw/zinc/95/35/63/555953563.db2.gz VJWMTSBFSJIUBS-DEOSSOPVSA-N 1 0 492.067 5.020 50 0 JKAARO CC[C@@H](C)c1ccccc1OC[C@H](O)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022836260 555956279 /nfs/dbraw/zinc/95/62/79/555956279.db2.gz WARWMTJSACPRBM-SHQCIBLASA-N 1 0 458.646 5.347 50 0 JKAARO COc1ccc(Cl)c2sc(N(CCC[NH+](C)C)C(=O)c3ccccc3SC)nc21 ZINC000012345325 555956577 /nfs/dbraw/zinc/95/65/77/555956577.db2.gz NPPBKHMTIFQLFU-UHFFFAOYSA-N 1 0 450.029 5.279 50 0 JKAARO O[C@H](COC(c1ccccc1)c1ccccc1)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022924886 555976943 /nfs/dbraw/zinc/97/69/43/555976943.db2.gz IPYZWZOSRVLJDW-HKBQPEDESA-N 1 0 492.663 5.561 50 0 JKAARO COc1cccc(OC)c1OCCCC[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022927180 555978174 /nfs/dbraw/zinc/97/81/74/555978174.db2.gz HZBMEGYUPNJSGC-UHFFFAOYSA-N 1 0 460.618 5.270 50 0 JKAARO Clc1ccccc1-c1nnc([C@@H](NC2CC[NH+](Cc3ccccc3)CC2)c2ccccc2)o1 ZINC000015733710 555979156 /nfs/dbraw/zinc/97/91/56/555979156.db2.gz VHMZGEVPWGURDE-VWLOTQADSA-N 1 0 458.993 5.734 50 0 JKAARO CC1CC[NH+](Cc2ccc(NC(=O)[C@H]3Cc4ccccc4N3C(=O)c3ccccc3)cc2)CC1 ZINC000015774134 555992431 /nfs/dbraw/zinc/99/24/31/555992431.db2.gz PJOJJOOHJVXJQC-HHHXNRCGSA-N 1 0 453.586 5.129 50 0 JKAARO Cc1c(C[NH2+]CCC[N@H+](Cc2ccccc2)C(C)C)c(C(=O)[O-])c(C)n1Cc1cccc(F)c1 ZINC000015776887 555996483 /nfs/dbraw/zinc/99/64/83/555996483.db2.gz YFICOSZTYGGPED-UHFFFAOYSA-N 1 0 465.613 5.381 50 0 JKAARO O=C(c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1)N1CCN(c2ccccc2)CC1 ZINC000015821320 556009894 /nfs/dbraw/zinc/00/98/94/556009894.db2.gz KSMYGTIMIOGLDW-UHFFFAOYSA-N 1 0 453.630 5.104 50 0 JKAARO O=C(NCCC[NH+]1CCCC1)c1ccc2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc2c1 ZINC000015826506 556013829 /nfs/dbraw/zinc/01/38/29/556013829.db2.gz ZLAVENMFODRLBC-UHFFFAOYSA-N 1 0 472.539 5.458 50 0 JKAARO CC(C)c1ccc([C@@H](c2oc3ccccc3c2NC(=O)c2ccco2)[NH+]2CCC(C)CC2)cc1 ZINC000015859351 556029422 /nfs/dbraw/zinc/02/94/22/556029422.db2.gz YNBGXGDDOJEPSQ-MHZLTWQESA-N 1 0 456.586 7.223 50 0 JKAARO COc1cccc([C@H](c2oc3ccccc3c2NC(=O)c2ccco2)[NH+]2CCCCC2)c1OC ZINC000015859355 556029453 /nfs/dbraw/zinc/02/94/53/556029453.db2.gz VTVDHGVWCRHBTF-XMMPIXPASA-N 1 0 460.530 5.871 50 0 JKAARO O=C(Nc1c2ccccc2oc1[C@H](c1ccc(Cl)cc1)[NH+]1CCCCC1)c1cccs1 ZINC000015859384 556029657 /nfs/dbraw/zinc/02/96/57/556029657.db2.gz PUMGIFQUOQHLFI-QHCPKHFHSA-N 1 0 450.991 6.975 50 0 JKAARO COc1ccccc1[C@@H](c1oc2ccccc2c1NC(=O)c1ccccc1)[NH+]1CCC(C)CC1 ZINC000015859474 556030073 /nfs/dbraw/zinc/03/00/73/556030073.db2.gz WXYYPYYDSUCRSQ-MHZLTWQESA-N 1 0 454.570 6.515 50 0 JKAARO COc1ccc([C@@H](c2oc3ccccc3c2NC(=O)c2ccccc2)[NH+]2CCC(C)CC2)cc1 ZINC000015859458 556030078 /nfs/dbraw/zinc/03/00/78/556030078.db2.gz SKCAYPYPPGIUFW-MHZLTWQESA-N 1 0 454.570 6.515 50 0 JKAARO CC1CC[NH+]([C@H](c2oc3ccccc3c2NC(=O)c2ccccc2)c2ccccc2Cl)CC1 ZINC000015859505 556030094 /nfs/dbraw/zinc/03/00/94/556030094.db2.gz QJRVVJRPYSAUSB-SANMLTNESA-N 1 0 458.989 7.160 50 0 JKAARO COc1cccc([C@H](c2oc3ccccc3c2NC(=O)c2cccs2)[NH+]2CCC(C)CC2)c1OC ZINC000015859441 556030113 /nfs/dbraw/zinc/03/01/13/556030113.db2.gz KSLNUCBIIHEHOF-RUZDIDTESA-N 1 0 490.625 6.585 50 0 JKAARO Cc1ccc([C@@H](CNC(=O)c2oc3cc(Br)ccc3c2C)[NH+]2CCC(C)CC2)o1 ZINC000015860502 556031696 /nfs/dbraw/zinc/03/16/96/556031696.db2.gz FNMUZYAMTSVLMD-LJQANCHMSA-N 1 0 459.384 5.608 50 0 JKAARO Cc1ccc(-c2cc(Nc3cccc(C(=O)N4CCC([NH+]5CCCCC5)CC4)c3)ncn2)cc1 ZINC000015863503 556037814 /nfs/dbraw/zinc/03/78/14/556037814.db2.gz NNRQANNYZRYRQQ-UHFFFAOYSA-N 1 0 455.606 5.286 50 0 JKAARO Cc1ccc(-c2nccc(Nc3cccc(C(=O)N4CCC([NH+]5CCCCC5)CC4)c3)n2)cc1 ZINC000015864024 556038607 /nfs/dbraw/zinc/03/86/07/556038607.db2.gz WCGNKXMLRVZZPX-UHFFFAOYSA-N 1 0 455.606 5.286 50 0 JKAARO Cc1oc(-c2cc(C)ccc2C)nc1C[N@@H+]1CCc2c3c(sc2[C@@H]1c1ccccc1)CCCC3 ZINC000015864833 556040736 /nfs/dbraw/zinc/04/07/36/556040736.db2.gz NSTLOZXLMKHIOX-NDEPHWFRSA-N 1 0 468.666 7.355 50 0 JKAARO CCc1c(C)sc2c1CC[N@H+](Cc1nc(-c3cccc(Cl)c3)oc1C)[C@H]2c1ccccc1 ZINC000015864890 556040760 /nfs/dbraw/zinc/04/07/60/556040760.db2.gz UJCJDNFRTHJOLM-VWLOTQADSA-N 1 0 463.046 7.383 50 0 JKAARO CCc1c(C)sc2c1CC[N@H+](Cc1nc(-c3ccc(Cl)cc3)oc1C)[C@@H]2c1ccccc1 ZINC000015864887 556040874 /nfs/dbraw/zinc/04/08/74/556040874.db2.gz QRQUPFUVNJGUDI-RUZDIDTESA-N 1 0 463.046 7.383 50 0 JKAARO CN(Cc1ccccc1)C(=O)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1 ZINC000015865827 556042466 /nfs/dbraw/zinc/04/24/66/556042466.db2.gz BYPJAZWYFZFELD-UHFFFAOYSA-N 1 0 486.059 6.214 50 0 JKAARO CCC[N@H+](CCc1c[nH]c2ccc(NC(=O)c3ccccc3OC(F)(F)F)cc12)CC1CC1 ZINC000023333103 556043365 /nfs/dbraw/zinc/04/33/65/556043365.db2.gz KHQSTCWLWKBRSG-UHFFFAOYSA-N 1 0 459.512 5.983 50 0 JKAARO CCN(CC[NH+](CC)CC)C(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)[nH]n2)cc1 ZINC000023334783 556044019 /nfs/dbraw/zinc/04/40/19/556044019.db2.gz BHPXEPCZAYFHBC-UHFFFAOYSA-N 1 0 459.421 5.854 50 0 JKAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)[nH]n2)cc1 ZINC000023334636 556044111 /nfs/dbraw/zinc/04/41/11/556044111.db2.gz GIYLLIDVDKLHRL-QGZVFWFLSA-N 1 0 471.432 6.045 50 0 JKAARO CC[NH+](CC)CCC[C@H](C)NC(=O)c1ccc(-c2cc(-c3cccc(C(F)(F)F)c3)n[nH]2)cc1 ZINC000023335057 556044277 /nfs/dbraw/zinc/04/42/77/556044277.db2.gz QMWMJRCAPPRMHF-SFHVURJKSA-N 1 0 472.555 6.003 50 0 JKAARO CC(C)C[NH+]1CCN(C(=O)c2ccc(-c3cc(-c4ccc(Cl)cc4Cl)[nH]n3)cc2)CC1 ZINC000023335061 556044291 /nfs/dbraw/zinc/04/42/91/556044291.db2.gz UYGCLUHAFFYZFE-UHFFFAOYSA-N 1 0 457.405 5.464 50 0 JKAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1ccc(-c2cc(-c3ccc(N4CCCCC4)cc3)n[nH]2)cc1 ZINC000023336180 556045802 /nfs/dbraw/zinc/04/58/02/556045802.db2.gz SXGRLJCXSRVWSI-HSZRJFAPSA-N 1 0 487.692 5.974 50 0 JKAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1ccc(-c2[nH]nc3c2CCc2cc(OC)ccc2-3)cc1 ZINC000023336229 556046105 /nfs/dbraw/zinc/04/61/05/556046105.db2.gz XAZJEZMLTAGIQI-LJQANCHMSA-N 1 0 460.622 5.091 50 0 JKAARO O[C@@H](COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C[NH+]1CCN(c2ccccc2)CC1 ZINC000012558985 556049216 /nfs/dbraw/zinc/04/92/16/556049216.db2.gz KMFACRWDKSDXLQ-RUZDIDTESA-N 1 0 471.428 5.283 50 0 JKAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000012559133 556049711 /nfs/dbraw/zinc/04/97/11/556049711.db2.gz PADOVPMRAHXREZ-RPLLCQBOSA-N 1 0 466.560 5.435 50 0 JKAARO CC[NH+](CC)CCCNC(=O)CCc1cc2c(n1-c1ccc(Cl)cc1)-c1ccccc1OC2 ZINC000023435343 556057959 /nfs/dbraw/zinc/05/79/59/556057959.db2.gz KXAQLCSYUKSFSZ-UHFFFAOYSA-N 1 0 466.025 5.471 50 0 JKAARO CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@@H]([NH2+]CC1CCCCC1)c1ccccc1 ZINC000012563672 556058827 /nfs/dbraw/zinc/05/88/27/556058827.db2.gz JBJAFEBEBOZGTO-VWLOTQADSA-N 1 0 476.642 6.442 50 0 JKAARO Cc1ccc(-n2c(CCC(=O)N3CC[NH+](CC(C)C)CC3)cc3c2-c2ccccc2OC3)c(F)c1 ZINC000023449119 556064397 /nfs/dbraw/zinc/06/43/97/556064397.db2.gz IIGPOFUAZLNJLO-UHFFFAOYSA-N 1 0 475.608 5.217 50 0 JKAARO CCCCCc1ccc(C(=O)Nc2ccc3[nH]cc(CC[N@@H+]4CCc5ccccc5C4)c3c2)cc1 ZINC000023451330 556065944 /nfs/dbraw/zinc/06/59/44/556065944.db2.gz WAWMHCHQQDASIT-UHFFFAOYSA-N 1 0 465.641 6.754 50 0 JKAARO CCC[N@H+](CCc1c[nH]c2ccc(NC(=O)c3c(C)onc3-c3ccccc3)cc12)CC1CC1 ZINC000023455931 556068701 /nfs/dbraw/zinc/06/87/01/556068701.db2.gz CXRWHZKJQOPIAZ-UHFFFAOYSA-N 1 0 456.590 6.048 50 0 JKAARO CCOc1ccc(-c2cccc(-c3nc(C[NH+]4CCC(c5ccccc5)CC4)cs3)c2)cc1 ZINC000023461379 556072394 /nfs/dbraw/zinc/07/23/94/556072394.db2.gz PCYIKJWFVZZAPG-UHFFFAOYSA-N 1 0 454.639 7.255 50 0 JKAARO Cc1ccc(NC(=O)c2c(NC(=O)C[NH2+]Cc3ccccc3)sc3c2CC[C@H](C(C)(C)C)C3)cc1 ZINC000015945920 556081875 /nfs/dbraw/zinc/08/18/75/556081875.db2.gz DKFLUQQNXBLKPF-NRFANRHFSA-N 1 0 489.685 6.188 50 0 JKAARO CC[NH+](CC)CC(=O)Nc1sc2c(c1C(=O)Nc1ccc(C)cc1)CC[C@@H](C(C)(C)C)C2 ZINC000015946078 556082168 /nfs/dbraw/zinc/08/21/68/556082168.db2.gz PVSVSKMOPLOEHD-GOSISDBHSA-N 1 0 455.668 5.740 50 0 JKAARO CCOc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C(C)C)C4)ccc1OC(=O)c1ccccc1 ZINC000015946371 556082858 /nfs/dbraw/zinc/08/28/58/556082858.db2.gz RNGSBOPJNCDTOM-XMMPIXPASA-N 1 0 491.613 5.561 50 0 JKAARO CC[NH+](CC)CC(=O)Nc1sc2c(c1C(=O)Nc1cccc(C)c1)CC[C@H](C(C)(C)C)C2 ZINC000015946732 556083494 /nfs/dbraw/zinc/08/34/94/556083494.db2.gz MYXSSZCASDFJJF-SFHVURJKSA-N 1 0 455.668 5.740 50 0 JKAARO COc1ccccc1NC(=O)c1c(NC(=O)C[NH2+][C@@H](C)c2ccccc2)sc2c1CCCC2 ZINC000015946875 556084055 /nfs/dbraw/zinc/08/40/55/556084055.db2.gz UKSVLDQKDHRRTO-KRWDZBQOSA-N 1 0 463.603 5.177 50 0 JKAARO CCOC(=O)c1ccc(-c2ccc([C@H]3Nc4sc5c(c4C(=O)N3)CC[N@H+](C(C)C)C5)o2)cc1 ZINC000015947076 556084378 /nfs/dbraw/zinc/08/43/78/556084378.db2.gz SDIIJIIZINNLGC-JOCHJYFZSA-N 1 0 465.575 5.380 50 0 JKAARO CCOC(=O)c1ccc(-c2ccc([C@@H]3Nc4sc5c(c4C(=O)N3)CC[N@H+](C(C)C)C5)o2)cc1 ZINC000015947074 556084421 /nfs/dbraw/zinc/08/44/21/556084421.db2.gz SDIIJIIZINNLGC-QFIPXVFZSA-N 1 0 465.575 5.380 50 0 JKAARO CCOc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C(C)C)C4)ccc1OCc1ccccc1 ZINC000015947064 556084435 /nfs/dbraw/zinc/08/44/35/556084435.db2.gz HVIPCSKWCZXTMF-VWLOTQADSA-N 1 0 477.630 5.921 50 0 JKAARO CCOc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](CC)C4)ccc1OC(=O)c1ccc(F)cc1 ZINC000015947157 556084718 /nfs/dbraw/zinc/08/47/18/556084718.db2.gz VVKXYCTZWMEDLW-HSZRJFAPSA-N 1 0 495.576 5.312 50 0 JKAARO COc1ccc(C[NH2+]Cc2cn(-c3ccc(F)cc3)nc2-c2ccccc2Cl)cc1OC ZINC000012592131 556087926 /nfs/dbraw/zinc/08/79/26/556087926.db2.gz NRDMLCVYAJNRJS-UHFFFAOYSA-N 1 0 451.929 5.639 50 0 JKAARO Cc1cccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)NC[C@@H](c3ccccc3)[NH+]3CCCC3)c2)c1 ZINC000012631236 556093642 /nfs/dbraw/zinc/09/36/42/556093642.db2.gz WTQLKSCMTAVJPW-VWLOTQADSA-N 1 0 498.048 5.016 50 0 JKAARO CCOC(=O)c1c(NC(=O)C[N@H+](C)C2CCCCC2)sc(Br)c1-c1ccccc1 ZINC000015980418 556099284 /nfs/dbraw/zinc/09/92/84/556099284.db2.gz DWXWCWPPENKTGO-UHFFFAOYSA-N 1 0 479.440 5.557 50 0 JKAARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH+]4CCC(C(O)(c5ccccc5)c5ccccc5)CC4)[C@H]3C=C12 ZINC000012661712 556101421 /nfs/dbraw/zinc/10/14/21/556101421.db2.gz VIDORUDOYZRQID-XQXVZJNSSA-N 1 0 499.695 5.949 50 0 biogenic JKAARO CC(=O)[C@@H]1[C@H](C)C[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CC[NH+]5CCCCC5)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000012661768 556101426 /nfs/dbraw/zinc/10/14/26/556101426.db2.gz ZMZSWQGXOQDHQU-HVZCNXNWSA-N 1 0 469.710 6.188 50 0 biogenic JKAARO O=C(Cc1cccc2ccccc21)N[C@H](OC[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C(Cl)(Cl)Cl ZINC000016041861 556121811 /nfs/dbraw/zinc/12/18/11/556121811.db2.gz QEHNLADBQYXELH-UNWVZKJWSA-N 1 0 483.867 5.476 50 0 JKAARO O=C(CSc1nnc(-c2ccccc2Cl)n1C1CCCC1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000012908974 556128100 /nfs/dbraw/zinc/12/81/00/556128100.db2.gz HUBYSJSUNXCRRI-FQEVSTJZSA-N 1 0 496.080 5.196 50 0 JKAARO COc1cc(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc(Cl)c1OC(C)C ZINC000024276338 556128285 /nfs/dbraw/zinc/12/82/85/556128285.db2.gz DKOTZPCEVGMEGG-UHFFFAOYSA-N 1 0 451.394 5.184 50 0 JKAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC000016199632 556128967 /nfs/dbraw/zinc/12/89/67/556128967.db2.gz VDFDCOSLKUATGW-UHFFFAOYSA-N 1 0 455.480 5.287 50 0 JKAARO COc1ccccc1NC(=O)c1ccc(NC(=O)C[NH2+][C@H](C)c2cccc3ccccc32)cc1 ZINC000012915598 556134574 /nfs/dbraw/zinc/13/45/74/556134574.db2.gz CEEUZCRAUSKIQT-LJQANCHMSA-N 1 0 453.542 5.390 50 0 JKAARO CC1CC[NH+]([C@@H](CNC(=O)c2ccccc2NC(=O)c2cccs2)c2cccs2)CC1 ZINC000012918799 556137896 /nfs/dbraw/zinc/13/78/96/556137896.db2.gz MJUHCDRVZHEYOX-FQEVSTJZSA-N 1 0 453.633 5.265 50 0 JKAARO C[NH+](C)CCCN(C(=O)c1ccc2c(c1)CCCC2)c1nc2ccc(Br)cc2s1 ZINC000016837416 556163058 /nfs/dbraw/zinc/16/30/58/556163058.db2.gz CKVBAHFAFFLCRI-UHFFFAOYSA-N 1 0 472.452 5.536 50 0 JKAARO C[NH+](C)[C@@H](CNC(=O)CSc1nnc(-c2ccccc2Cl)n1C1CCCC1)c1ccccc1 ZINC000012972568 556164035 /nfs/dbraw/zinc/16/40/35/556164035.db2.gz JRVWSESBECIVAQ-QFIPXVFZSA-N 1 0 484.069 5.225 50 0 JKAARO O[C@@]1(C(F)(F)F)C2=C(CCCCC2)[NH2+]N1c1nc(-c2ccc(Br)cc2)cs1 ZINC000016957668 556188864 /nfs/dbraw/zinc/18/88/64/556188864.db2.gz JUNXAMYJJQYKDH-CXAGYDPISA-N 1 0 460.319 5.580 50 0 JKAARO O[C@]1(C(F)(F)F)C2=C(CCCCC2)[NH2+]N1c1nc(-c2ccc(Br)cc2)cs1 ZINC000016957673 556188875 /nfs/dbraw/zinc/18/88/75/556188875.db2.gz JUNXAMYJJQYKDH-GUYCJALGSA-N 1 0 460.319 5.580 50 0 JKAARO Cc1cc(C(=O)NCCC[N@H+]2CCCC[C@@H]2C)nc2c1c(-c1ccccc1)nn2-c1cccc(F)c1 ZINC000025152435 556193439 /nfs/dbraw/zinc/19/34/39/556193439.db2.gz VKRHKYZFDOTLKT-NRFANRHFSA-N 1 0 485.607 5.529 50 0 JKAARO CC[NH+](CC)CCCn1c(S[C@H](C)C(=O)Nc2cccc(Cl)c2C)nc2ccccc2c1=O ZINC000016980570 556194826 /nfs/dbraw/zinc/19/48/26/556194826.db2.gz WNYPMSYIQXMPPT-GOSISDBHSA-N 1 0 487.069 5.210 50 0 JKAARO Cc1c(Cl)ccc2c([C@H](O)C[NH+](CCC(C)C)CCC(C)C)cc(-c3ccc(Cl)cc3)nc12 ZINC000016990291 556195132 /nfs/dbraw/zinc/19/51/32/556195132.db2.gz SVKGPPILSYWDFE-HHHXNRCGSA-N 1 0 487.515 7.945 50 0 JKAARO C[NH+](C)CC(C)(C)CNC(=O)c1cncn1-c1cccc(-c2cccc3c4ccccc4sc32)c1 ZINC000025162956 556201046 /nfs/dbraw/zinc/20/10/46/556201046.db2.gz RIRJYGYPWQYEQX-UHFFFAOYSA-N 1 0 482.653 6.225 50 0 JKAARO O=C1C2=C(C(c3ccc(Cl)cc3)=[NH+]CCN2)[C@H](c2ccc(Br)cc2)N1c1ccccc1 ZINC000025173430 556202322 /nfs/dbraw/zinc/20/23/22/556202322.db2.gz SZPVYFHTFGYMLF-DEOSSOPVSA-N 1 0 492.804 5.537 50 0 JKAARO COc1ccccc1-c1nn(Cc2ccccc2)cc1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000013013068 556204175 /nfs/dbraw/zinc/20/41/75/556204175.db2.gz MYEIYRBEYIAFEM-MHZLTWQESA-N 1 0 480.612 5.174 50 0 JKAARO Cc1ccc(C)n1CC[NH+]1CCN(C(=S)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)CC1 ZINC000025436764 556215687 /nfs/dbraw/zinc/21/56/87/556215687.db2.gz TYWOGAZVPFIIPW-UHFFFAOYSA-N 1 0 489.714 5.705 50 0 JKAARO COc1cccc([C@@H]2C[NH2+][C@@H](c3ccc(C(F)(F)F)cc3)c3[nH]c4ccccc4c32)c1OC ZINC000025461658 556217028 /nfs/dbraw/zinc/21/70/28/556217028.db2.gz LYEMGMUNUMROOV-CVDCTZTESA-N 1 0 452.476 6.028 50 0 JKAARO COc1cc([C@@H]2[NH2+]C[C@@H](c3ccc(Cl)cc3Cl)c3c4ccccc4[nH]c32)cc(OC)c1OC ZINC000025461336 556217056 /nfs/dbraw/zinc/21/70/56/556217056.db2.gz STSQQIFVGFWTEQ-UUOWRZLLSA-N 1 0 483.395 6.325 50 0 JKAARO CCOC(=O)c1c(C)c(C(=O)Nc2ccc(C)cc2C)sc1NC(=O)C[N@H+](C)C1CCCCC1 ZINC000013038806 556237680 /nfs/dbraw/zinc/23/76/80/556237680.db2.gz JJGMXCGHIBRPTR-UHFFFAOYSA-N 1 0 485.650 5.305 50 0 JKAARO CC[NH+](CC)CCN(C(=O)c1ccc(C(=O)c2ccccc2)cc1)c1nc2c(cccc2OC)s1 ZINC000017287585 556251106 /nfs/dbraw/zinc/25/11/06/556251106.db2.gz SNQJIDGWEUSVAW-UHFFFAOYSA-N 1 0 487.625 5.525 50 0 JKAARO CC[NH+](CC)CCN(C(=O)c1ccc(C(=O)c2ccccc2)cc1)c1nc2ccc(F)cc2s1 ZINC000017287610 556251156 /nfs/dbraw/zinc/25/11/56/556251156.db2.gz QFUMDMODGQIUBE-UHFFFAOYSA-N 1 0 475.589 5.655 50 0 JKAARO CC[NH+](CC)CCN(C(=O)c1ccc(C(=O)c2ccccc2)cc1)c1nc2c(cccc2Cl)s1 ZINC000017287593 556251181 /nfs/dbraw/zinc/25/11/81/556251181.db2.gz XIIRYJKZMKUNAG-UHFFFAOYSA-N 1 0 492.044 6.169 50 0 JKAARO COc1cccc([C@H](CNc2ncnc3scc(-c4ccc(Cl)cc4)c32)[NH+]2CCCC2)c1 ZINC000013068911 556265336 /nfs/dbraw/zinc/26/53/36/556265336.db2.gz KVOFIHWTDDYJAH-QFIPXVFZSA-N 1 0 465.022 6.269 50 0 JKAARO COc1ccccc1[C@@H](CNC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1)[NH+]1CCCC1 ZINC000013097629 556294518 /nfs/dbraw/zinc/29/45/18/556294518.db2.gz KPWBLDHDXHEACS-HHHXNRCGSA-N 1 0 466.585 5.115 50 0 JKAARO CCC(C)(C)c1ccc(OC[C@@H](O)C[NH+]2CCN(c3ccc(C)cc3)CC2)c(C(C)(C)CC)c1 ZINC000027571876 556298505 /nfs/dbraw/zinc/29/85/05/556298505.db2.gz KSSJRIHBMASSDK-SANMLTNESA-N 1 0 466.710 5.932 50 0 JKAARO Cc1cc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)n2ncc(-c3ccccc3Cl)c2n1 ZINC000027585568 556300425 /nfs/dbraw/zinc/30/04/25/556300425.db2.gz JEBLIOMGDAFNHK-UHFFFAOYSA-N 1 0 494.042 6.270 50 0 JKAARO Cc1nn2c(nc(C)cc2N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1-c1ccc(C)cc1 ZINC000027585762 556300621 /nfs/dbraw/zinc/30/06/21/556300621.db2.gz WQXJDDXIKNIPCN-UHFFFAOYSA-N 1 0 487.651 6.233 50 0 JKAARO COc1ccc([C@@H](CNC(=O)c2oc3ccc(Br)cc3c2C)[NH+]2CCCCCC2)cc1 ZINC000027662242 556301637 /nfs/dbraw/zinc/30/16/37/556301637.db2.gz NFIHBOXLQAQPCY-JOCHJYFZSA-N 1 0 485.422 5.859 50 0 JKAARO COc1ccc([C@@H](CNC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)[NH+]2CCCCC2)cc1 ZINC000013110082 556311036 /nfs/dbraw/zinc/31/10/36/556311036.db2.gz IZEHDRRLTHUQDB-HSZRJFAPSA-N 1 0 498.048 5.619 50 0 JKAARO CN1c2ccccc2C(C)(C)C1=CC=CC=C1CCCc2c1cc(-c1ccccc1)[o+]c2-c1ccccc1 ZINC000027988496 556311315 /nfs/dbraw/zinc/31/13/15/556311315.db2.gz GZYMHMOXOMHPRF-PTMPKNFWSA-N 1 0 496.674 8.768 50 0 JKAARO O=C(C[NH+]1CCC(c2nc3ccccc3s2)CC1)N1CCC(c2nc3ccccc3o2)CC1 ZINC000013110149 556311316 /nfs/dbraw/zinc/31/13/16/556311316.db2.gz WMBHAODMIBAQBU-UHFFFAOYSA-N 1 0 460.603 5.023 50 0 JKAARO O=C1CN=C(c2ccccc2)c2cc(Cl)ccc2N1CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000028048322 556313793 /nfs/dbraw/zinc/31/37/93/556313793.db2.gz FZOPCUKWFFRKCC-UHFFFAOYSA-N 1 0 487.047 5.126 50 0 JKAARO Cc1cc2oc(C(=O)NC[C@H](c3ccc(C(C)(C)C)cc3)[NH+]3CCCC3)cc(=O)c2cc1Cl ZINC000028289088 556328038 /nfs/dbraw/zinc/32/80/38/556328038.db2.gz AXFDWPGKAZEJEG-JOCHJYFZSA-N 1 0 467.009 5.619 50 0 JKAARO CC[NH+](CC)[C@@H](CNC(=O)c1nc(SC)ncc1Br)c1ccc(C(C)(C)C)cc1 ZINC000028290882 556328395 /nfs/dbraw/zinc/32/83/95/556328395.db2.gz AISQWNULFQMEBI-SFHVURJKSA-N 1 0 479.488 5.071 50 0 JKAARO Cc1cc2oc(C(=O)NC[C@@H](c3ccc(C(C)C)cc3)[NH+]3CCCCC3)cc(=O)c2cc1Cl ZINC000028292695 556328890 /nfs/dbraw/zinc/32/88/90/556328890.db2.gz PIBXSHJKPDRTQB-QHCPKHFHSA-N 1 0 467.009 5.835 50 0 JKAARO CC(C)c1ccc([C@@H](CNC(=O)c2cc(=O)c3cc(Cl)ccc3o2)[NH+]2CCCCC2)cc1 ZINC000028293051 556329232 /nfs/dbraw/zinc/32/92/32/556329232.db2.gz XMANRUSWBXDBRO-JOCHJYFZSA-N 1 0 452.982 5.527 50 0 JKAARO Cc1cc2c(-c3ccccc3)c(-c3ccccc3)n(C[C@@H](O)C[N@@H+]3CCc4ccccc4C3)c2c(C)c1 ZINC000028296684 556330934 /nfs/dbraw/zinc/33/09/34/556330934.db2.gz LOIUEPSTAMZJFQ-PMERELPUSA-N 1 0 486.659 7.011 50 0 JKAARO Cc1cc2c(-c3ccccc3)c(-c3ccccc3)n(C[C@H](O)C[N@@H+]3CCc4ccccc4C3)c2c(C)c1 ZINC000028296685 556330987 /nfs/dbraw/zinc/33/09/87/556330987.db2.gz LOIUEPSTAMZJFQ-SSEXGKCCSA-N 1 0 486.659 7.011 50 0 JKAARO COc1cccc(-c2cc(C(=O)NC[C@@H](c3ccc(C(C)C)cc3)[NH+]3CCCC3)c3ccccc3n2)c1 ZINC000028403072 556332641 /nfs/dbraw/zinc/33/26/41/556332641.db2.gz GURSRVNKCDGKNP-HKBQPEDESA-N 1 0 493.651 6.601 50 0 JKAARO CC(C)c1ccc(CSc2nnc(SCC(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)s2)cc1 ZINC000019317908 556340915 /nfs/dbraw/zinc/34/09/15/556340915.db2.gz PMLZITNBSZBOJU-QFIPXVFZSA-N 1 0 498.743 5.437 50 0 JKAARO CCn1c2ccccc2c2cc(C[NH+]3CCN(Cc4cc(OC)c(OC)c(OC)c4)CC3)ccc21 ZINC000019369755 556346532 /nfs/dbraw/zinc/34/65/32/556346532.db2.gz CAWGAZOGNAWLPB-UHFFFAOYSA-N 1 0 473.617 5.158 50 0 JKAARO Clc1ccc2c(c1)[C@@H](N1CC[NH+](C(c3ccccc3)c3ccccc3)CC1)Cc1ccccc1S2 ZINC000019370928 556347002 /nfs/dbraw/zinc/34/70/02/556347002.db2.gz YZCDIXDREJEZKS-NDEPHWFRSA-N 1 0 497.107 7.496 50 0 JKAARO CCOc1ccc([C@H]([NH2+]CC(=O)Nc2cc3c(cc2Cl)OCCCO3)C(C)C)cc1OCC ZINC000029150507 556348151 /nfs/dbraw/zinc/34/81/51/556348151.db2.gz ITVGZOWHAOBINY-RUZDIDTESA-N 1 0 477.001 5.224 50 0 JKAARO CCOc1ccc([C@@H]([NH2+]CC(=O)Nc2cc3c(cc2Cl)OCCCO3)C(C)C)cc1OCC ZINC000029150503 556348200 /nfs/dbraw/zinc/34/82/00/556348200.db2.gz ITVGZOWHAOBINY-VWLOTQADSA-N 1 0 477.001 5.224 50 0 JKAARO CCOc1ccc2c(c1)sc(=S)n2CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019596672 556356490 /nfs/dbraw/zinc/35/64/90/556356490.db2.gz IWWRJEOZPANBGI-UHFFFAOYSA-N 1 0 475.683 6.196 50 0 JKAARO O=C(Nc1ccc(F)cc1)[C@H]([NH2+]C[C@H](c1c[nH]c2ccccc21)c1ccccc1)c1ccccc1 ZINC000013131749 556358159 /nfs/dbraw/zinc/35/81/59/556358159.db2.gz UZTSBDMMRJSSJV-LITSAYRRSA-N 1 0 463.556 6.409 50 0 JKAARO Clc1ccc(-c2csc3ncnc(N4CC[NH+](C5c6ccccc6-c6ccccc65)CC4)c23)cc1 ZINC000019682022 556359831 /nfs/dbraw/zinc/35/98/31/556359831.db2.gz XQLZGEMIBWXFTM-UHFFFAOYSA-N 1 0 495.051 6.904 50 0 JKAARO O=C(Nc1ccc(I)cc1)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000019760968 556366807 /nfs/dbraw/zinc/36/68/07/556366807.db2.gz RDTIYEAJOQOTOB-UHFFFAOYSA-N 1 0 468.338 5.102 50 0 JKAARO CC1(C)C[C@@]2(CCC[N@H+](Cc3nc4c(c(=O)[nH]3)C3(CCCCC3)Cc3ccccc3-4)C2)CCO1 ZINC000019782239 556369637 /nfs/dbraw/zinc/36/96/37/556369637.db2.gz DJNATJHMUNFNFS-MUUNZHRXSA-N 1 0 461.650 5.366 50 0 biogenic JKAARO O[C@@]1(c2ccc(Br)cc2)CN2CCCCCC2=[N+]1c1ccc(-c2ccccc2)cc1 ZINC000019800803 556378210 /nfs/dbraw/zinc/37/82/10/556378210.db2.gz LZLUCVFUWQMZJK-AREMUKBSSA-N 1 0 462.411 5.766 50 0 JKAARO Clc1ccc(Cn2ncc3c2ncnc3N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000019807843 556379522 /nfs/dbraw/zinc/37/95/22/556379522.db2.gz ISSJSRGIKKVMEV-UHFFFAOYSA-N 1 0 495.030 5.440 50 0 JKAARO Cc1ccc(Cn2ncc3c2ncnc3N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000019808638 556379913 /nfs/dbraw/zinc/37/99/13/556379913.db2.gz DJAQWRMNXPMDTP-UHFFFAOYSA-N 1 0 474.612 5.095 50 0 JKAARO COc1cc(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)ccc1OCc1ccccc1 ZINC000019810322 556380960 /nfs/dbraw/zinc/38/09/60/556380960.db2.gz YGUDVODUDKNORE-UHFFFAOYSA-N 1 0 478.636 6.181 50 0 JKAARO O=C1c2ccccc2/C(=C\NC[C@@H](c2ccco2)[NH+]2CCCCCC2)C(=O)N1c1ccccc1 ZINC000019820061 556388915 /nfs/dbraw/zinc/38/89/15/556388915.db2.gz FHEUVLJUAKDWOG-POQGPQTDSA-N 1 0 455.558 5.014 50 0 JKAARO CC(C)(C)c1ccc([C@H](CNC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)[NH+]2CCCCC2)cc1 ZINC000032622688 556452448 /nfs/dbraw/zinc/45/24/48/556452448.db2.gz OVXNRVVTFGUKHZ-DEOSSOPVSA-N 1 0 489.616 5.367 50 0 JKAARO CCc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCC[NH+](CC)CC)cc1 ZINC000032623135 556453110 /nfs/dbraw/zinc/45/31/10/556453110.db2.gz ZTPNLSUVPPYSGH-QHCPKHFHSA-N 1 0 452.982 5.286 50 0 JKAARO NC(=O)C1CC[NH+](CCCCNc2nc(-c3cccs3)nc3scc(-c4ccccc4)c32)CC1 ZINC000032916225 556540170 /nfs/dbraw/zinc/54/01/70/556540170.db2.gz VTVZYUXZDGOOIG-UHFFFAOYSA-N 1 0 491.686 5.476 50 0 JKAARO NC(=O)C1CC[NH+](CCCCNc2nc(/C=C/c3ccccc3)nc3sc4c(c32)CCCC4)CC1 ZINC000032916222 556540289 /nfs/dbraw/zinc/54/02/89/556540289.db2.gz KGAQXSIGSDPJPV-OUKQBFOZSA-N 1 0 489.689 5.130 50 0 JKAARO COc1ccc(C[N@@H+]2CCC[C@H](c3nc(-c4ccncc4)ncc3-c3ccccc3C)C2)c(OC)c1 ZINC000019219498 563014723 /nfs/dbraw/zinc/01/47/23/563014723.db2.gz RGVNEPBKBZHMPN-DEOSSOPVSA-N 1 0 480.612 5.911 50 0 JKAARO CC[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2[C@@H](OC(=O)c1ccc(Cl)cc1)c1ccnc2ccc(OC)cc21 ZINC000033972280 563111388 /nfs/dbraw/zinc/11/13/88/563111388.db2.gz TXVNNFDXQZFMBQ-PRUVNFMMSA-N 1 0 464.993 5.915 50 0 JKAARO COc1ccc(S(=O)(=O)Nc2ccccc2C[N@H+](C)C/C=C/c2ccc(Cl)cc2)cc1 ZINC000035212814 563119364 /nfs/dbraw/zinc/11/93/64/563119364.db2.gz RUAOVVIUGUOYHA-AATRIKPKSA-N 1 0 456.995 5.295 50 0 in-vitro JKAARO Cc1nn2c(nc(C)cc2N2CC[NH+](CCOc3cccc4ccccc43)CC2)c1-c1ccccc1 ZINC000054274585 569589565 /nfs/dbraw/zinc/58/95/65/569589565.db2.gz CGKKFULFLZSKNE-UHFFFAOYSA-N 1 0 477.612 5.367 50 0 JKAARO CO[C@H]1[C@H](NC(=O)c2cccs2)c2ccccc2C12CC[NH+](Cc1nc(C(C)C)cs1)CC2 ZINC000055133252 569590887 /nfs/dbraw/zinc/59/08/87/569590887.db2.gz NEERRDSWCVDOMI-RPWUZVMVSA-N 1 0 481.687 5.362 50 0 JKAARO Cc1csc([C@H](C)[N@H+](C)C2CCN(c3cccc(NC(=O)CCCc4ccccc4)c3)CC2)n1 ZINC000055154741 569591035 /nfs/dbraw/zinc/59/10/35/569591035.db2.gz UXIHJPVTFCIFSU-QFIPXVFZSA-N 1 0 476.690 6.075 50 0 JKAARO O=C(NCCSCc1ccc(Cl)cc1)c1ccc(C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000055149670 569591133 /nfs/dbraw/zinc/59/11/33/569591133.db2.gz FWKVPPDQCQRNMR-UHFFFAOYSA-N 1 0 480.077 5.325 50 0 JKAARO CC(C)(C)c1ccc2c(c1)c1c(n2CC[NH+](Cc2ccccc2)Cc2ccccc2)C(=O)CCC1 ZINC000055455731 569591881 /nfs/dbraw/zinc/59/18/81/569591881.db2.gz AFZZLAKVHWVKPI-UHFFFAOYSA-N 1 0 464.653 7.160 50 0 JKAARO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1cccc2c(Cl)cccc12 ZINC000055529331 569592118 /nfs/dbraw/zinc/59/21/18/569592118.db2.gz VXKIKADDSFYUKM-UHFFFAOYSA-N 1 0 455.989 6.068 50 0 JKAARO O=C(CSc1ccc(Cl)cc1)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000055529360 569592187 /nfs/dbraw/zinc/59/21/87/569592187.db2.gz JMFYTKWLWCYAGP-UHFFFAOYSA-N 1 0 452.023 5.393 50 0 JKAARO CCOC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(NC(=O)c2ccc(CC)cc2)c1 ZINC000057222949 569594717 /nfs/dbraw/zinc/59/47/17/569594717.db2.gz GKMSYEBGBKWAOM-UHFFFAOYSA-N 1 0 471.601 5.000 50 0 JKAARO COC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(NC(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000057222696 569594804 /nfs/dbraw/zinc/59/48/04/569594804.db2.gz DBEVNIHTMYQMTP-UHFFFAOYSA-N 1 0 498.410 5.355 50 0 JKAARO O=C(COc1cccc2ccccc21)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000057254352 569594916 /nfs/dbraw/zinc/59/49/16/569594916.db2.gz XKMJMTVWBXWLBQ-UHFFFAOYSA-N 1 0 451.570 5.180 50 0 JKAARO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1cccc(OCc2ccccc2)c1 ZINC000057256224 569595018 /nfs/dbraw/zinc/59/50/18/569595018.db2.gz DEILDCSEKTXMEE-UHFFFAOYSA-N 1 0 477.608 5.840 50 0 JKAARO Brc1ccc2c(c1)[C@@H]1CC(c3ccccc3)=NN1C1(CC[NH+](Cc3ccccc3)CC1)O2 ZINC000008717723 569596769 /nfs/dbraw/zinc/59/67/69/569596769.db2.gz CGHKKQLRHSOHMO-VWLOTQADSA-N 1 0 488.429 5.985 50 0 JKAARO O=C(Cc1csc(-c2ccccc2)n1)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000058160809 569602193 /nfs/dbraw/zinc/60/21/93/569602193.db2.gz LXBDEOGHYHFITE-UHFFFAOYSA-N 1 0 468.626 5.314 50 0 JKAARO O=C(c1ccco1)[C@@H]1C(=C(O)c2ccccc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN21 ZINC000016010187 569602312 /nfs/dbraw/zinc/60/23/12/569602312.db2.gz KBFHZQXKOZZMLG-TVXPCSCSSA-N 1 0 486.527 5.261 50 0 JKAARO O=C(c1ccco1)[C@@H]1C(=C(O)c2ccccc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN21 ZINC000016010186 569602325 /nfs/dbraw/zinc/60/23/25/569602325.db2.gz KBFHZQXKOZZMLG-DZHULAFLSA-N 1 0 486.527 5.261 50 0 JKAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1Cl)O2 ZINC000032983888 569607172 /nfs/dbraw/zinc/60/71/72/569607172.db2.gz MGBBEJYCTGSTAN-JJWXFRNXSA-N 1 0 467.997 5.096 50 0 JKAARO CC[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1cccc(Cl)c1)O2 ZINC000032984027 569607319 /nfs/dbraw/zinc/60/73/19/569607319.db2.gz PHUSKVXGMXQXPT-XQQQEEOESA-N 1 0 490.003 5.352 50 0 JKAARO CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)[C@@H]3C[NH+]1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000061997617 569609815 /nfs/dbraw/zinc/60/98/15/569609815.db2.gz UNILYICFDBVZCR-AMZPDFMZSA-N 1 0 463.449 5.574 50 0 biogenic JKAARO CC[N@H+](CCCNC(=O)c1cccc(Nc2ccc(-c3ccc(C)cc3)nn2)c1)Cc1ccccc1 ZINC000032996992 569610908 /nfs/dbraw/zinc/61/09/08/569610908.db2.gz VAWYWYINTGSCCQ-UHFFFAOYSA-N 1 0 479.628 5.838 50 0 JKAARO C[NH+](C)/C=C/C=C/C=C1C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1 ZINC000063591207 569615554 /nfs/dbraw/zinc/61/55/54/569615554.db2.gz IOYUUIANTPQAAC-JYHWFCAKSA-N 1 0 477.651 8.780 50 0 JKAARO COc1ccc(Oc2cc(-c3cccc(C(=O)NC4CC[NH+](Cc5ccccc5)CC4)c3)ncn2)cc1 ZINC000064578374 569620025 /nfs/dbraw/zinc/62/00/25/569620025.db2.gz PHJWXOVLIVPKIB-UHFFFAOYSA-N 1 0 494.595 5.339 50 0 JKAARO Cc1ccc(C)c(S(=O)(=O)Nc2ccc(Nc3cc(NC4CCCCC4)nc(C)[nH+]3)cc2)c1 ZINC000033326899 569624089 /nfs/dbraw/zinc/62/40/89/569624089.db2.gz JOXRSBDAPBTDRE-UHFFFAOYSA-N 1 0 465.623 5.691 50 0 JKAARO COc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(NC4CCCCC4)nc(C)[nH+]3)cc2)cc1OC ZINC000033326896 569624119 /nfs/dbraw/zinc/62/41/19/569624119.db2.gz ZHHGPAVGJDJPOD-UHFFFAOYSA-N 1 0 497.621 5.091 50 0 JKAARO Oc1ccc(-c2nc3sc(N4CC[NH+](C5CCCCC5)CC4)nn3c2NC2CCCCCC2)cc1 ZINC000064746111 569625169 /nfs/dbraw/zinc/62/51/69/569625169.db2.gz YJAPXEKXLSAULY-UHFFFAOYSA-N 1 0 494.709 5.753 50 0 JKAARO c1ccc(-c2nc3sc(N4CC[NH+](C5CCCCC5)CC4)nn3c2NC2CCCCCC2)cc1 ZINC000064746114 569625376 /nfs/dbraw/zinc/62/53/76/569625376.db2.gz JFLIFVVIBYRFMV-UHFFFAOYSA-N 1 0 478.710 6.047 50 0 JKAARO CC[NH+](CC)CCC[C@H](C)Nc1nc(/C=C\c2ccc(Cl)cc2Cl)nc2ccccc21 ZINC000033707581 569631330 /nfs/dbraw/zinc/63/13/30/569631330.db2.gz AEZGQJCNTNWZDV-OJSRQPNCSA-N 1 0 457.449 7.029 50 0 JKAARO Cc1onc(-c2ccc(Br)s2)c1C(=O)NCC1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000064820220 569636073 /nfs/dbraw/zinc/63/60/73/569636073.db2.gz IQYADWQXDFXPJR-UHFFFAOYSA-N 1 0 488.451 5.424 50 0 JKAARO CC(=O)NCC[N@@H+]1CCc2cc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)ccc2C1 ZINC000033965945 569639467 /nfs/dbraw/zinc/63/94/67/569639467.db2.gz DJLMIXIBPMWLNC-UHFFFAOYSA-N 1 0 481.518 5.119 50 0 JKAARO O=C(NCc1cccc(C(F)(F)F)c1)c1ccc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000034668628 569640667 /nfs/dbraw/zinc/64/06/67/569640667.db2.gz QCVVZDJXBQCKHJ-UHFFFAOYSA-N 1 0 487.953 5.611 50 0 JKAARO COc1ccc(NC(=O)COc2ccc3c(c2)[C@@H](c2ccccc2)[N@@H+](Cc2ccccc2)CC3)cc1 ZINC000034671488 569640703 /nfs/dbraw/zinc/64/07/03/569640703.db2.gz GKIWPGGGIFMGPS-WJOKGBTCSA-N 1 0 478.592 5.860 50 0 JKAARO O=C(NCc1cccc(C(F)(F)F)c1)[C@@H]1CC[C@@H](c2ccccc2)[N@H+](Cc2ccc(F)cc2F)C1 ZINC000034669764 569640812 /nfs/dbraw/zinc/64/08/12/569640812.db2.gz DUUKCQMWHIVBKA-BWKNWUBXSA-N 1 0 488.500 6.253 50 0 JKAARO CC[C@H](Oc1ccc2c(c1)[C@H](c1ccccc1)[N@@H+](Cc1cccc(C)c1)CC2)C(=O)NCc1ccco1 ZINC000034671647 569640925 /nfs/dbraw/zinc/64/09/25/569640925.db2.gz WIGVXPPVVIUFFQ-CONSDPRKSA-N 1 0 494.635 6.210 50 0 JKAARO CC[C@@H](Oc1ccc2c(c1)[C@H](c1ccccc1)[N@@H+](Cc1cccc(C)c1)CC2)C(=O)NC(C)C ZINC000034671672 569640943 /nfs/dbraw/zinc/64/09/43/569640943.db2.gz WSKMESBHYOFRMV-WDYNHAJCSA-N 1 0 456.630 5.825 50 0 JKAARO CC(C)(C)c1ccc(C(=O)Nc2ccc(N3CCC[N@H+](Cc4ccccc4F)CC3)nc2)cc1 ZINC000034681636 569643349 /nfs/dbraw/zinc/64/33/49/569643349.db2.gz FGJOLXNWCHGQST-UHFFFAOYSA-N 1 0 460.597 5.483 50 0 JKAARO Cc1ccc(C)c(NC(=O)Nc2ccc(N3CC[NH+](Cc4ccc(C(C)C)cc4)CC3)nc2)c1 ZINC000034682078 569643675 /nfs/dbraw/zinc/64/36/75/569643675.db2.gz OLYVXQZCOUGBFM-UHFFFAOYSA-N 1 0 457.622 5.788 50 0 JKAARO COc1ccc(C(=O)N(c2ccccc2)C2CC[NH+](Cc3cccc(OC)c3OC)CC2)cc1 ZINC000034682507 569643901 /nfs/dbraw/zinc/64/39/01/569643901.db2.gz NAKGDQBADFAZPO-UHFFFAOYSA-N 1 0 460.574 5.024 50 0 JKAARO Cc1ccc(C(=O)N(c2ccccc2)C2CC[NH+](Cc3cccc(Oc4ccccc4)c3)CC2)cc1 ZINC000034682547 569643948 /nfs/dbraw/zinc/64/39/48/569643948.db2.gz STTLQXMLHUYGMI-UHFFFAOYSA-N 1 0 476.620 7.099 50 0 JKAARO COc1cccc(N(C(=O)c2ccccc2)C2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000034682681 569643962 /nfs/dbraw/zinc/64/39/62/569643962.db2.gz MPSBPJSQSHXAIJ-UHFFFAOYSA-N 1 0 468.519 6.025 50 0 JKAARO COc1cccc(N(C(=O)c2cccc(Cl)c2)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000034682703 569644081 /nfs/dbraw/zinc/64/40/81/569644081.db2.gz LAZIOPQPMXCIAY-UHFFFAOYSA-N 1 0 469.412 6.313 50 0 JKAARO COc1cccc(C[NH+]2CCC(N(C(=O)c3ccccc3F)c3ccc(C)cc3)CC2)c1OC ZINC000034682960 569644101 /nfs/dbraw/zinc/64/41/01/569644101.db2.gz HRSGTRJNCJGHHZ-UHFFFAOYSA-N 1 0 462.565 5.463 50 0 JKAARO CCCC(=O)N(c1ccc(CC)cc1)C1CC[NH+](Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000034683103 569644105 /nfs/dbraw/zinc/64/41/05/569644105.db2.gz QPUVGTKDJPVYJB-UHFFFAOYSA-N 1 0 456.630 6.839 50 0 JKAARO COc1ccc(C(=O)N(c2ccc(OC)cc2)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000034682777 569644130 /nfs/dbraw/zinc/64/41/30/569644130.db2.gz GVZWRLZFLFTSRS-UHFFFAOYSA-N 1 0 464.993 5.669 50 0 JKAARO Cc1ccc(N(C(=O)c2ccccc2)C2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)cc1F ZINC000034682729 569644146 /nfs/dbraw/zinc/64/41/46/569644146.db2.gz IDORDJDUNUQKPV-UHFFFAOYSA-N 1 0 460.549 5.217 50 0 JKAARO Cc1ccc(C(=O)N(c2ccc(C)cc2)C2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)cc1 ZINC000034682949 569644148 /nfs/dbraw/zinc/64/41/48/569644148.db2.gz UFVGIQPOEMMDDL-UHFFFAOYSA-N 1 0 456.586 5.386 50 0 JKAARO CCCC(=O)N(c1ccc(C)c(F)c1)C1CC[NH+](Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000034682742 569644152 /nfs/dbraw/zinc/64/41/52/569644152.db2.gz HXDRUAMRKLQQMZ-UHFFFAOYSA-N 1 0 460.593 6.724 50 0 JKAARO CCc1ccc(N(C(=O)c2ccccc2)C2CC[NH+](Cc3ccc(OC)cc3OC)CC2)cc1 ZINC000034683092 569644168 /nfs/dbraw/zinc/64/41/68/569644168.db2.gz GDCYDTSXOIZHJT-UHFFFAOYSA-N 1 0 458.602 5.578 50 0 JKAARO COc1cccc(N(C(=O)c2ccco2)C2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000034683118 569644262 /nfs/dbraw/zinc/64/42/62/569644262.db2.gz FRSQVAHAHZBUGP-UHFFFAOYSA-N 1 0 458.480 5.618 50 0 JKAARO COc1ccc(N(C(=O)c2cccc(C)c2)C2CC[NH+](Cc3ccc(O)c(OC)c3)CC2)cc1OC ZINC000034683269 569644274 /nfs/dbraw/zinc/64/42/74/569644274.db2.gz QZCVIPGTZOLACT-UHFFFAOYSA-N 1 0 490.600 5.038 50 0 JKAARO O=C(c1ccc(F)cc1)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccccc2C(F)(F)F)CC1 ZINC000034683500 569644472 /nfs/dbraw/zinc/64/44/72/569644472.db2.gz KHAXSCTXCWWZEA-UHFFFAOYSA-N 1 0 474.473 6.295 50 0 JKAARO COc1cccc(N(C(=O)c2ccc(C)cc2)C2CC[NH+](Cc3ccccc3C(F)(F)F)CC2)c1 ZINC000034683612 569644514 /nfs/dbraw/zinc/64/45/14/569644514.db2.gz KQMWEJMRWHXFHD-UHFFFAOYSA-N 1 0 482.546 6.334 50 0 JKAARO COc1ccc(C(=O)N2C[C@H](C[NH+]3CCC(Cc4ccccc4)CC3)[C@@H](c3ccccc3)C2)cc1OC ZINC000034697596 569647557 /nfs/dbraw/zinc/64/75/57/569647557.db2.gz DWIDZWIKQDMMGE-URLMMPGGSA-N 1 0 498.667 5.514 50 0 JKAARO O=C(c1ccccc1)N1C[C@@H](C[NH+]2CCN(c3ccccc3)CC2)[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000034698070 569647661 /nfs/dbraw/zinc/64/76/61/569647661.db2.gz ANTDKDJIYJLVKZ-SHQCIBLASA-N 1 0 493.573 5.383 50 0 JKAARO Cc1ccc([C@@H]2CN(C(=O)c3cccc(C(F)(F)F)c3)C[C@H]2C[N@@H+](C)C2CCCCC2)cc1 ZINC000034697828 569647665 /nfs/dbraw/zinc/64/76/65/569647665.db2.gz WMRSJTJRQMPTAT-RDGATRHJSA-N 1 0 458.568 6.134 50 0 JKAARO O=C(c1ccccc1)N1C[C@H](C[NH+]2CCN(c3ccccc3)CC2)[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000034698069 569647697 /nfs/dbraw/zinc/64/76/97/569647697.db2.gz ANTDKDJIYJLVKZ-RPLLCQBOSA-N 1 0 493.573 5.383 50 0 JKAARO O=C(NCCC[NH+]1CCC(Cc2ccccc2)CC1)c1ccc2nc(CCc3ccccc3)oc2c1 ZINC000064968159 569647720 /nfs/dbraw/zinc/64/77/20/569647720.db2.gz FNLYURKUNFXYEE-UHFFFAOYSA-N 1 0 481.640 5.688 50 0 JKAARO O=C(c1ccccc1)N(C[C@@H]1C[N@@H+](Cc2ccco2)C[C@@H]1c1cccc(F)c1)C1CCCCC1 ZINC000034698705 569647796 /nfs/dbraw/zinc/64/77/96/569647796.db2.gz NLHHWGCMZAFCKX-RBJSKKJNSA-N 1 0 460.593 6.109 50 0 JKAARO COc1ccc(C(=O)N2C[C@@H](c3ccccc3OC)[C@H](C[NH+]3CCC(Cc4ccccc4)CC3)C2)cc1 ZINC000034698522 569647805 /nfs/dbraw/zinc/64/78/05/569647805.db2.gz KEUJFYNLYGCRQY-POURPWNDSA-N 1 0 498.667 5.514 50 0 JKAARO Cc1ccccc1[C@H]1C[N@H+](CC(C)C)C[C@@H]1CN(C(=O)c1ccc(F)cc1)C1CCCCC1 ZINC000034698819 569647991 /nfs/dbraw/zinc/64/79/91/569647991.db2.gz ATZRTULJNSMZSL-YWEHKCAJSA-N 1 0 450.642 6.281 50 0 JKAARO Cc1ccccc1[C@@H]1C[N@H+](Cc2ccc[nH]2)C[C@@H]1CN(C(=O)c1ccccc1)C1CCCCC1 ZINC000034698884 569648008 /nfs/dbraw/zinc/64/80/08/569648008.db2.gz KUWZPYDMNUZOKM-VAVYLYDRSA-N 1 0 455.646 6.014 50 0 JKAARO Cc1ccccc1[C@H]1C[N@H+](Cc2cccn2C)C[C@@H]1CN(C(=O)c1ccc(F)cc1)C1CCCCC1 ZINC000034698837 569648051 /nfs/dbraw/zinc/64/80/51/569648051.db2.gz OCPPNMIEVSNRMK-RNAHPLFWSA-N 1 0 487.663 6.163 50 0 JKAARO Cc1ccccc1[C@@H]1C[N@@H+](Cc2ccsc2)C[C@@H]1CN(C(=O)c1ccc(F)cc1)C(C)C ZINC000034698758 569648064 /nfs/dbraw/zinc/64/80/64/569648064.db2.gz GNVVTOXVDBBFOC-ZEQKJWHPSA-N 1 0 450.623 5.962 50 0 JKAARO COc1cccc([C@H]2C[N@H+](Cc3cccs3)C[C@H]2CN(CC(C)C)C(=O)c2ccc(F)cc2)c1 ZINC000034698914 569648142 /nfs/dbraw/zinc/64/81/42/569648142.db2.gz BJRHMOPPKLTLLP-WNCULLNHSA-N 1 0 480.649 5.910 50 0 JKAARO COc1cccc([C@H]2C[N@H+](Cc3ccc[nH]3)C[C@H]2CN(CC(C)C)C(=O)c2ccc(F)cc2)c1 ZINC000034698926 569648179 /nfs/dbraw/zinc/64/81/79/569648179.db2.gz XOVCGJQEXIUTHS-WNCULLNHSA-N 1 0 463.597 5.176 50 0 JKAARO COc1cccc([C@@H]2C[N@H+](Cc3ccc(C)o3)C[C@@H]2CN(C(=O)c2ccccc2)C2CCCCC2)c1 ZINC000034698938 569648189 /nfs/dbraw/zinc/64/81/89/569648189.db2.gz KMDUORYILZHPCS-VIZCGCQYSA-N 1 0 486.656 6.287 50 0 JKAARO Cc1ccc(C[N@H+]2C[C@@H](CN(CC(C)C)C(=O)c3ccccc3)[C@H](c3ccc(F)cc3)C2)cc1 ZINC000034699023 569648194 /nfs/dbraw/zinc/64/81/94/569648194.db2.gz AVIARBVOVMFWCM-YTMVLYRLSA-N 1 0 458.621 6.148 50 0 JKAARO COc1cccc([C@H]2C[N@H+](Cc3ccco3)C[C@@H]2CN(CC(C)C)C(=O)c2ccc(F)cc2)c1 ZINC000034698913 569648198 /nfs/dbraw/zinc/64/81/98/569648198.db2.gz QFSXUIVQGITYFC-YIXXDRMTSA-N 1 0 464.581 5.441 50 0 JKAARO COc1cc(C[N@@H+]2C[C@H](CN(CC(C)C)C(=O)c3ccccc3)[C@@H](c3ccc(F)cc3)C2)ccc1O ZINC000034699047 569648286 /nfs/dbraw/zinc/64/82/86/569648286.db2.gz GVYLDOMJLRWJFL-XNMGPUDCSA-N 1 0 490.619 5.554 50 0 JKAARO COc1ccc([C@H]2C[N@H+](CC3CCCCC3)C[C@@H]2CN(Cc2ccc(F)cc2)C(C)=O)cc1 ZINC000034699341 569648470 /nfs/dbraw/zinc/64/84/70/569648470.db2.gz JMSPBKSCFFBBSE-LEAFIULHSA-N 1 0 452.614 5.479 50 0 JKAARO COc1cc(C[N@H+]2C[C@@H](c3ccc(C)cc3)[C@@H](CN(Cc3ccc(F)cc3)C(C)=O)C2)cc(OC)c1 ZINC000034699258 569648475 /nfs/dbraw/zinc/64/84/75/569648475.db2.gz PKLOIWUEXNKRKI-VIZCGCQYSA-N 1 0 490.619 5.416 50 0 JKAARO CC(C)N(C[C@@H]1C[N@H+](Cc2ccco2)C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000034699152 569648477 /nfs/dbraw/zinc/64/84/77/569648477.db2.gz WCWPZAXEZIZWHO-SQJMNOBHSA-N 1 0 488.525 6.204 50 0 JKAARO Cc1ccc(C(=O)N(C[C@@H]2C[N@H+](Cc3ccco3)C[C@@H]2c2cccc(C(F)(F)F)c2)C(C)C)cc1 ZINC000034699168 569648486 /nfs/dbraw/zinc/64/84/86/569648486.db2.gz FNFNNGURZGQJNT-JYFHCDHNSA-N 1 0 484.562 6.373 50 0 JKAARO CC(=O)N(Cc1ccc(F)cc1)C[C@H]1C[N@H+](Cc2ccc3c(c2)OCO3)C[C@H]1c1ccc(C)cc1 ZINC000034699268 569648489 /nfs/dbraw/zinc/64/84/89/569648489.db2.gz NNGNDUXUPSVJRF-VPUSJEBWSA-N 1 0 474.576 5.127 50 0 JKAARO CC(C)N(C[C@@H]1C[N@H+](Cc2ccc[nH]2)C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000034699162 569648532 /nfs/dbraw/zinc/64/85/32/569648532.db2.gz HZJOIVXYOQBGFO-SQJMNOBHSA-N 1 0 487.541 5.939 50 0 JKAARO Cc1ccsc1C[N@@H+]1C[C@@H](c2ccc(C)cc2)[C@@H](CN(Cc2cccnc2)C(=O)C(C)C)C1 ZINC000034699298 569648543 /nfs/dbraw/zinc/64/85/43/569648543.db2.gz LITXWRAVGXORIW-FTJBHMTQSA-N 1 0 461.675 5.660 50 0 JKAARO Cc1ccc([C@@H]2C[N@@H+](Cc3ccc4c(c3)OCO4)C[C@@H]2CN(C(=O)c2ccccc2)C(C)C)cc1 ZINC000034699092 569648547 /nfs/dbraw/zinc/64/85/47/569648547.db2.gz OAULFGPORZLVKB-SXOMAYOGSA-N 1 0 470.613 5.490 50 0 JKAARO COc1cccc([C@@H]2C[N@H+](Cc3ccc(C)cc3)C[C@@H]2CN(Cc2ccccc2)C(=O)C2CCCC2)c1 ZINC000034699242 569648550 /nfs/dbraw/zinc/64/85/50/569648550.db2.gz YPZOZTHPMMIFSS-BHYZAODMSA-N 1 0 496.695 6.438 50 0 JKAARO CCOC(=O)c1c(NC(=O)[C@H]([NH2+]CCc2ccc(OC)cc2)c2ccccc2)sc2c1CCCC2 ZINC000034702306 569649171 /nfs/dbraw/zinc/64/91/71/569649171.db2.gz LTDYACUHBRJEEQ-RUZDIDTESA-N 1 0 492.641 5.324 50 0 JKAARO Clc1ccc2c3nnc(-c4cccs4)n3c(N3CCN(Cc4ccsc4)CC3)nc2c1 ZINC000034707889 569650123 /nfs/dbraw/zinc/65/01/23/569650123.db2.gz AYNFVVJPYFXZLY-UHFFFAOYSA-N 1 0 467.023 5.043 50 0 JKAARO Clc1ccccc1C[N@@H+]1CCCN(c2nc3ccccc3c3nnc(Cc4ccccc4)n32)CC1 ZINC000034707938 569650188 /nfs/dbraw/zinc/65/01/88/569650188.db2.gz SFIBHXQTESRNDA-UHFFFAOYSA-N 1 0 483.019 5.234 50 0 JKAARO O=C(NCc1cccc(C(F)(F)F)c1)[C@H]1C[C@H](c2ccccc2)C[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000034711125 569650788 /nfs/dbraw/zinc/65/07/88/569650788.db2.gz UCHLTSVVRWXOGG-VXKWHMMOSA-N 1 0 488.500 5.906 50 0 JKAARO COCCC[N@H+](CC(=O)N1CCS[C@@H]1c1ccc(F)cc1)Cc1ccc(C(C)(C)C)cc1 ZINC000034714722 569651606 /nfs/dbraw/zinc/65/16/06/569651606.db2.gz WKFYTYCQGLFRDF-RUZDIDTESA-N 1 0 458.643 5.236 50 0 JKAARO Cc1cc([C@@H]2C[C@@H](C(=O)NCc3ccccc3)C[N@H+](Cc3ccccc3Cl)C2)ccc1F ZINC000034716672 569651744 /nfs/dbraw/zinc/65/17/44/569651744.db2.gz HQXPOONHPNENIO-DNQXCXABSA-N 1 0 450.985 5.710 50 0 JKAARO COc1ccc(CCNC(=O)[C@@H]2C[C@H](c3ccc(F)c(C)c3)C[N@H+](Cc3cccc(OC)c3)C2)cc1 ZINC000034716831 569651921 /nfs/dbraw/zinc/65/19/21/569651921.db2.gz OGJQGQDANNVDTH-IZZNHLLZSA-N 1 0 490.619 5.116 50 0 JKAARO Cc1cc([C@H]2C[C@@H](C(=O)NCc3cccc(F)c3)C[N@H+](Cc3ccc(F)cc3)C2)ccc1F ZINC000034716775 569651937 /nfs/dbraw/zinc/65/19/37/569651937.db2.gz DNHKYNWYGXIMTR-XZOQPEGZSA-N 1 0 452.520 5.334 50 0 JKAARO COc1ccccc1N1CC[NH+](CC[C@@H](Oc2cc(C)cc(C(C)C)c2)c2ccc(F)cc2)CC1 ZINC000034727267 569652922 /nfs/dbraw/zinc/65/29/22/569652922.db2.gz HZCKIWARMCYCAY-GDLZYMKVSA-N 1 0 476.636 6.599 50 0 JKAARO Cc1cc(O[C@@H](CC[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)c2ccc(F)cc2)ccc1Cl ZINC000034726782 569652928 /nfs/dbraw/zinc/65/29/28/569652928.db2.gz XHTSFPYNFOQKLA-SANMLTNESA-N 1 0 497.010 5.844 50 0 JKAARO Cc1ccc(Cl)c(O[C@@H](CC[NH+]2CCN(c3ccc(F)cc3)CC2)c2ccccc2F)c1 ZINC000034727348 569652942 /nfs/dbraw/zinc/65/29/42/569652942.db2.gz UBCFWADUGAPVMB-VWLOTQADSA-N 1 0 456.964 6.259 50 0 JKAARO COc1ccccc1N1CC[NH+](CC[C@@H](Oc2ccc(F)c(Cl)c2)c2ccccc2)CC1 ZINC000034727083 569653054 /nfs/dbraw/zinc/65/30/54/569653054.db2.gz PGFVVAIJVUZQGY-RUZDIDTESA-N 1 0 454.973 5.820 50 0 JKAARO Cc1ccccc1[C@@H](CC[NH+]1CCN(c2ccccc2Cl)CC1)Oc1ccc(F)cc1Cl ZINC000034726625 569653067 /nfs/dbraw/zinc/65/30/67/569653067.db2.gz PENJURXHYGVIOV-RUZDIDTESA-N 1 0 473.419 6.773 50 0 JKAARO CC(C)c1cccc(O[C@@H](CC[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)c2cccc(F)c2)c1 ZINC000034727779 569653071 /nfs/dbraw/zinc/65/30/71/569653071.db2.gz DWHOBYMASOWPFF-NDEPHWFRSA-N 1 0 490.619 6.006 50 0 JKAARO COc1ccccc1N1CC[NH+](CC[C@H](Oc2ccc(Cl)c(C)c2)c2cccs2)CC1 ZINC000034726849 569653079 /nfs/dbraw/zinc/65/30/79/569653079.db2.gz HDWOUWLOCGVCPE-DEOSSOPVSA-N 1 0 457.039 6.051 50 0 JKAARO COc1ccccc1N1CC[NH+](CC[C@@H](Oc2ccccc2Cl)c2cccc(F)c2)CC1 ZINC000034727697 569653101 /nfs/dbraw/zinc/65/31/01/569653101.db2.gz GCDGQVUFPGYHEV-XMMPIXPASA-N 1 0 454.973 5.820 50 0 JKAARO COc1cc(C)ccc1O[C@@H](CCN1CC[NH+](Cc2ccccc2)CC1)c1cccc(Cl)c1 ZINC000034728552 569653163 /nfs/dbraw/zinc/65/31/63/569653163.db2.gz NPNVMSYXTIJNRZ-SANMLTNESA-N 1 0 465.037 5.985 50 0 JKAARO COc1ccccc1N1CC[NH+](CC[C@H](Oc2cc(C)ccc2Cl)c2ccccc2F)CC1 ZINC000034728165 569653257 /nfs/dbraw/zinc/65/32/57/569653257.db2.gz AWUABGOAOFIRIV-VWLOTQADSA-N 1 0 469.000 6.129 50 0 JKAARO COc1ccccc1CNC(=O)c1ccc(C)nc1C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000034730067 569653339 /nfs/dbraw/zinc/65/33/39/569653339.db2.gz RTCDVICKGBRVSM-UHFFFAOYSA-N 1 0 464.009 5.362 50 0 JKAARO COc1ccc(NC(=O)[C@@H]2C[C@@H](c3cccc(C)c3)C[N@H+](Cc3cccc(F)c3)C2)cc1OC ZINC000034733628 569653457 /nfs/dbraw/zinc/65/34/57/569653457.db2.gz HLFNKZCTLMYOAD-DHIUTWEWSA-N 1 0 462.565 5.396 50 0 JKAARO COc1ccccc1CCNC(=O)[C@@H]1C[C@H](c2cccc(C)c2)C[N@H+](Cc2ccccc2F)C1 ZINC000034733536 569653465 /nfs/dbraw/zinc/65/34/65/569653465.db2.gz USROVCQNBKJARQ-IZZNHLLZSA-N 1 0 460.593 5.107 50 0 JKAARO COc1ccc(NC(=O)[C@H]2C[C@H](c3cccc(C)c3)C[N@H+](Cc3cccc(F)c3)C2)cc1OC ZINC000034733625 569653471 /nfs/dbraw/zinc/65/34/71/569653471.db2.gz HLFNKZCTLMYOAD-GOTSBHOMSA-N 1 0 462.565 5.396 50 0 JKAARO COc1ccccc1CCNC(=O)[C@H]1C[C@H](c2cccc(C)c2)C[N@H+](Cc2ccccc2F)C1 ZINC000034733530 569653579 /nfs/dbraw/zinc/65/35/79/569653579.db2.gz USROVCQNBKJARQ-UIOOFZCWSA-N 1 0 460.593 5.107 50 0 JKAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCCC2)o1 ZINC000065055118 569653980 /nfs/dbraw/zinc/65/39/80/569653980.db2.gz GGPMNJUNZOCWKN-NRFANRHFSA-N 1 0 492.639 6.449 50 0 JKAARO O=C(NCC[NH+]1CCCCC1)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCCC2)o1 ZINC000065055080 569654002 /nfs/dbraw/zinc/65/40/02/569654002.db2.gz UGAZQEZYSGPSJF-UHFFFAOYSA-N 1 0 464.585 5.670 50 0 JKAARO O=C(NCc1ccc2c(c1)OCO2)[C@H]1CC[C@@H](c2ccccc2)[N@H+](Cc2cccc(Cl)c2)C1 ZINC000034739902 569655077 /nfs/dbraw/zinc/65/50/77/569655077.db2.gz LGZFMBYPZHOXSF-UPVQGACJSA-N 1 0 462.977 5.338 50 0 JKAARO O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CC[C@H](c2ccccc2)[N@H+](Cc2cccc(Cl)c2)C1 ZINC000034739905 569655080 /nfs/dbraw/zinc/65/50/80/569655080.db2.gz LGZFMBYPZHOXSF-ISKFKSNPSA-N 1 0 462.977 5.338 50 0 JKAARO COc1ccccc1CCNC(=O)[C@H]1C[C@@H](c2ccc(F)cc2)C[N@H+](Cc2ccc(F)cc2F)C1 ZINC000034739953 569655086 /nfs/dbraw/zinc/65/50/86/569655086.db2.gz CYWXKWSRZWYYQN-PKTZIBPZSA-N 1 0 482.546 5.077 50 0 JKAARO O=C(NCc1ccc2c(c1)OCO2)[C@H]1CC[C@H](c2ccccc2)[N@H+](Cc2cccc(Cl)c2)C1 ZINC000034739903 569655101 /nfs/dbraw/zinc/65/51/01/569655101.db2.gz LGZFMBYPZHOXSF-LADGPHEKSA-N 1 0 462.977 5.338 50 0 JKAARO COc1ccccc1CCNC(=O)[C@H]1C[C@H](c2ccc(F)cc2)C[N@H+](Cc2ccc(F)cc2F)C1 ZINC000034739951 569655144 /nfs/dbraw/zinc/65/51/44/569655144.db2.gz CYWXKWSRZWYYQN-GOTSBHOMSA-N 1 0 482.546 5.077 50 0 JKAARO Cc1cc(O[C@@H](CC[NH+]2CCN(c3ccc(F)cc3)CC2)c2cccs2)ccc1C(C)C ZINC000034740124 569655344 /nfs/dbraw/zinc/65/53/44/569655344.db2.gz INKRACUZGSIJKN-SANMLTNESA-N 1 0 452.639 6.651 50 0 JKAARO Cc1cc(O[C@H](CC[NH+]2CCN(c3ccc(F)cc3)CC2)c2ccc(F)cc2)ccc1C(C)C ZINC000034740121 569655373 /nfs/dbraw/zinc/65/53/73/569655373.db2.gz KAZZWQWMFFYIHQ-GDLZYMKVSA-N 1 0 464.600 6.729 50 0 JKAARO CC(=O)N(CC(C)C)C[C@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2)C[C@@H]1c1ccc(F)cc1 ZINC000034740685 569655482 /nfs/dbraw/zinc/65/54/82/569655482.db2.gz JXIPSSVBZUTZCA-ZJSXRUAMSA-N 1 0 450.520 5.565 50 0 JKAARO O=C(NCC1CC[NH+](Cc2ccccc2F)CC1)c1ccc(-c2noc(-c3ccccc3)n2)s1 ZINC000065063054 569656492 /nfs/dbraw/zinc/65/64/92/569656492.db2.gz BRSRAMNFZANKOQ-UHFFFAOYSA-N 1 0 476.577 5.246 50 0 JKAARO CCC[N@@H+]1CCc2c(c(CN(CC(C)C)C(=O)c3cccc(F)c3)nn2-c2cccc(Cl)c2)C1 ZINC000034762279 569657910 /nfs/dbraw/zinc/65/79/10/569657910.db2.gz KDHOUSUDSZWDBB-UHFFFAOYSA-N 1 0 483.031 5.731 50 0 JKAARO CCC[N@@H+]1CCc2c(c(CN(CC(C)C)C(=O)c3ccc(F)cc3)nn2-c2cccc(Cl)c2)C1 ZINC000034762263 569657952 /nfs/dbraw/zinc/65/79/52/569657952.db2.gz WCRHJMUTVOYGEU-UHFFFAOYSA-N 1 0 483.031 5.731 50 0 JKAARO Cc1ccc(/C=C2\C[N@@H+](C)CC3=C2N=C2SC=C(c4ccc(C)cc4)N2[C@@H]3c2ccc(C)cc2)cc1 ZINC000034780494 569659135 /nfs/dbraw/zinc/65/91/35/569659135.db2.gz YDPANSBZLXGNPK-LMCWBUNHSA-N 1 0 489.688 7.353 50 0 JKAARO CC(C)[NH+]1CCN(C2=Nc3ccccc3Oc3ccc(NC(=O)c4cccc(Cl)c4)cc32)CC1 ZINC000034790601 569660270 /nfs/dbraw/zinc/66/02/70/569660270.db2.gz ROUGFAUYUJTDBM-UHFFFAOYSA-N 1 0 474.992 5.802 50 0 JKAARO CCCCCCC(=O)N1CCN(C(=O)CC[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2C)C[C@@H]1C ZINC000034830282 569663779 /nfs/dbraw/zinc/66/37/79/569663779.db2.gz UIQNIYLUCHZNAC-IADCTJSHSA-N 1 0 495.733 5.424 50 0 JKAARO CC[NH+]1CCN(c2c(CN(C(=O)Nc3cccc(F)c3)C(C)C)c(C)nn2-c2cccc(F)c2)CC1 ZINC000034831370 569664175 /nfs/dbraw/zinc/66/41/75/569664175.db2.gz GMOALGSVVUZQFM-UHFFFAOYSA-N 1 0 496.606 5.043 50 0 JKAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(-c2ccccc2)nc2cc(-c3ccccc3)nn21 ZINC000034831686 569664320 /nfs/dbraw/zinc/66/43/20/569664320.db2.gz QICHYVPPLSKJJK-NRFANRHFSA-N 1 0 453.590 5.058 50 0 JKAARO CC[C@@H](C)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](CC)CC1)C(=O)NC1CCCCC1 ZINC000034832184 569664365 /nfs/dbraw/zinc/66/43/65/569664365.db2.gz OTAYZDBHNFTBML-OAQYLSRUSA-N 1 0 498.691 5.105 50 0 JKAARO CC[NH+]1CCN(c2c(CN(CCC(C)C)C(=O)Cc3cccs3)c(C)nn2-c2ccccc2)CC1 ZINC000034832126 569664369 /nfs/dbraw/zinc/66/43/69/569664369.db2.gz RQZOESJSSRSKLL-UHFFFAOYSA-N 1 0 493.721 5.002 50 0 JKAARO CCCC[C@H](CC)C(=O)N(CCC(C)C)Cc1c(C)nn(-c2ccccc2)c1N1CC[NH+](CC)CC1 ZINC000034832162 569664416 /nfs/dbraw/zinc/66/44/16/569664416.db2.gz HHQIHHIEGQWYTK-SANMLTNESA-N 1 0 495.756 5.914 50 0 JKAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(-c2ccccc2Cl)nc2cc(-c3ccccc3)nn21 ZINC000034833795 569664671 /nfs/dbraw/zinc/66/46/71/569664671.db2.gz QCVVXKKOPBICPC-HXUWFJFHSA-N 1 0 488.035 5.711 50 0 JKAARO COc1cccc(-c2cc(C(=O)NCCC[N@@H+]3CCCC[C@H]3C)n3nc(-c4ccccc4)cc3n2)c1 ZINC000034834057 569664703 /nfs/dbraw/zinc/66/47/03/569664703.db2.gz VJZDIJWBKAWSBK-OAQYLSRUSA-N 1 0 483.616 5.066 50 0 JKAARO CCCC[C@@H](CC)C(=O)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](C(C)C)CC1)C(C)C ZINC000034835702 569665073 /nfs/dbraw/zinc/66/50/73/569665073.db2.gz CNYDLPSUTIGSBS-XMMPIXPASA-N 1 0 499.719 5.804 50 0 JKAARO Cc1nn(-c2cccc(F)c2)c(N2CC[NH+](C(C)C)CC2)c1CN(C(=O)c1ccc(F)cc1)C(C)C ZINC000034835677 569665091 /nfs/dbraw/zinc/66/50/91/569665091.db2.gz VKZMBAIHKNAZQS-UHFFFAOYSA-N 1 0 495.618 5.040 50 0 JKAARO Cc1nn(-c2cccc(F)c2)c(N2CC[NH+](C(C)C)CC2)c1CN(C(=O)c1ccc(C)cc1)C(C)C ZINC000034835689 569665150 /nfs/dbraw/zinc/66/51/50/569665150.db2.gz XPFXFQPOJAAFMG-UHFFFAOYSA-N 1 0 491.655 5.209 50 0 JKAARO CCc1nn(-c2ccc(F)cc2)c(N2CCN(C)CC2)c1C[N@H+](Cc1ccc(F)cc1)[C@H](C)CC ZINC000034836341 569665275 /nfs/dbraw/zinc/66/52/75/569665275.db2.gz AWUFPGKGILXRCV-OAQYLSRUSA-N 1 0 481.635 5.265 50 0 JKAARO CC[C@@H](C)N(Cc1c(C)nn(-c2ccc(F)cc2)c1N1CC[NH+](CC)CC1)Cc1ccccc1Cl ZINC000034836395 569665391 /nfs/dbraw/zinc/66/53/91/569665391.db2.gz MMSSSWMZNKDCEZ-OAQYLSRUSA-N 1 0 498.090 5.916 50 0 JKAARO CCC[N@H+](Cc1c(CC)nn(-c2ccc(F)cc2)c1N1CCN(C)CC1)Cc1cccc(C)c1 ZINC000034836349 569665397 /nfs/dbraw/zinc/66/53/97/569665397.db2.gz IMSPCAVONNKUPJ-UHFFFAOYSA-N 1 0 463.645 5.046 50 0 JKAARO CCCc1nn(-c2cccc(F)c2)c(N2CC[NH+](CC)CC2)c1CN(Cc1ccccc1F)C(C)C ZINC000034836548 569665507 /nfs/dbraw/zinc/66/55/07/569665507.db2.gz HJVMNWIHYVRHRC-UHFFFAOYSA-N 1 0 495.662 5.656 50 0 JKAARO CCCc1nn(-c2cccc(F)c2)c(N2CC[NH+](CC)CC2)c1CN(Cc1ccc(C)o1)C(C)C ZINC000034836557 569665577 /nfs/dbraw/zinc/66/55/77/569665577.db2.gz SHXYCOCVIPTWSM-UHFFFAOYSA-N 1 0 481.660 5.418 50 0 JKAARO CCCc1nn(-c2cccc(F)c2)c(N2CC[NH+](CC)CC2)c1CN(Cc1ccco1)C(C)C ZINC000034836537 569665631 /nfs/dbraw/zinc/66/56/31/569665631.db2.gz RPNGEZCNCCBQRN-UHFFFAOYSA-N 1 0 467.633 5.109 50 0 JKAARO CCCN(Cc1c(CC)nn(-c2ccccc2)c1N1CC[NH+](CC)CC1)Cc1ccccc1Cl ZINC000034836872 569666227 /nfs/dbraw/zinc/66/62/27/569666227.db2.gz OJUIADCHCRFXTM-UHFFFAOYSA-N 1 0 480.100 5.642 50 0 JKAARO CCc1nn(-c2ccccc2)c(N2CC[NH+](CC)CC2)c1CN(Cc1cc(C)ccc1C)C1CC1 ZINC000034836975 569666414 /nfs/dbraw/zinc/66/64/14/569666414.db2.gz NWULBQJCLWKAGG-UHFFFAOYSA-N 1 0 471.693 5.358 50 0 JKAARO Cc1cccc([C@@H]2[C@@H](C(=O)NC3CC[NH+](Cc4ccccc4)CC3)c3ccccc3C(=O)N2C2CC2)c1 ZINC000034924129 569673004 /nfs/dbraw/zinc/67/30/04/569673004.db2.gz MJCZFTKZTZYVPZ-XZWHSSHBSA-N 1 0 493.651 5.219 50 0 JKAARO COc1ccc2cc3cc(C(=O)NCC4CC[NH+](Cc5ccc(F)cc5)CC4)sc3nc2c1Cl ZINC000065330829 569674835 /nfs/dbraw/zinc/67/48/35/569674835.db2.gz JTCQNXIRAHYIOZ-UHFFFAOYSA-N 1 0 498.023 5.893 50 0 JKAARO COc1ccc2cc3cc(C(=O)NC[C@H]4CC[N@H+](Cc5ccc(C)cc5)C4)sc3nc2c1Cl ZINC000065330827 569674860 /nfs/dbraw/zinc/67/48/60/569674860.db2.gz UECXQGWFDRYFEJ-GOSISDBHSA-N 1 0 480.033 5.672 50 0 JKAARO COc1ccc2nc3oc(C(=O)NCC4CC[NH+](Cc5ccc(Cl)cc5)CC4)cc3cc2c1 ZINC000065331050 569675089 /nfs/dbraw/zinc/67/50/89/569675089.db2.gz XNVDGHIZMATDCR-UHFFFAOYSA-N 1 0 463.965 5.285 50 0 JKAARO CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccc(C)cc1C)C(c1ccc(Cl)cc1)=N2 ZINC000035372637 569683087 /nfs/dbraw/zinc/68/30/87/569683087.db2.gz ASAHNOGJKPJQQV-UHFFFAOYSA-N 1 0 469.054 5.342 50 0 JKAARO CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccc(C(C)C)cc1)C(c1ccc(OC)cc1)=N2 ZINC000035372674 569683177 /nfs/dbraw/zinc/68/31/77/569683177.db2.gz CCIPWEICSSZNLI-UHFFFAOYSA-N 1 0 478.662 5.204 50 0 JKAARO CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1cccc(Cl)c1C)C(c1ccc(F)cc1)=N2 ZINC000035372840 569683370 /nfs/dbraw/zinc/68/33/70/569683370.db2.gz WBZXFZRYIGKGOW-UHFFFAOYSA-N 1 0 473.017 5.173 50 0 JKAARO CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1cccc(C)c1C)C(c1ccc(C(C)(C)C)cc1)=N2 ZINC000035397162 569687720 /nfs/dbraw/zinc/68/77/20/569687720.db2.gz QSCCDEYOKRECFF-UHFFFAOYSA-N 1 0 490.717 5.986 50 0 JKAARO CCc1ccc(NC(=O)CSC2=NC3(CC[NH+](CC)CC3)N=C2c2ccc(C(C)(C)C)cc2)cc1 ZINC000035397165 569687740 /nfs/dbraw/zinc/68/77/40/569687740.db2.gz MYTJKVJTZRTQLK-UHFFFAOYSA-N 1 0 490.717 5.932 50 0 JKAARO CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccccc1Cl)C(c1ccc(C(C)(C)C)cc1)=N2 ZINC000035397167 569687769 /nfs/dbraw/zinc/68/77/69/569687769.db2.gz GCRUQRVVHRKPKS-UHFFFAOYSA-N 1 0 497.108 6.023 50 0 JKAARO COc1ccc([C@@H]2C=C(c3ccccc3)S[C@@]3(SC[C@@H]4C[NH+]=C(N)S4)CCCC[C@H]23)cc1 ZINC000068686694 569691491 /nfs/dbraw/zinc/69/14/91/569691491.db2.gz OWNRYRHRVALGOO-WOLJRWFJSA-N 1 0 482.740 6.617 50 0 JKAARO COc1ccc([C@@H]2C=C(c3ccccc3)S[C@]3(SC[C@@H]4C[NH+]=C(N)S4)CCCC[C@H]23)cc1 ZINC000068686699 569691493 /nfs/dbraw/zinc/69/14/93/569691493.db2.gz OWNRYRHRVALGOO-OHTANWTRSA-N 1 0 482.740 6.617 50 0 JKAARO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C(F)(F)F)C1 ZINC000068755454 569692043 /nfs/dbraw/zinc/69/20/43/569692043.db2.gz HJMLBEYOJUXEME-AWEZNQCLSA-N 1 0 476.465 5.150 50 0 JKAARO CCOC(=O)Nc1ccc2c(C[N@H+](Cc3ccc(C(F)(F)F)cc3)C3CC3)cc(=O)oc2c1 ZINC000069441734 569693043 /nfs/dbraw/zinc/69/30/43/569693043.db2.gz FBOCPJPPNJDKJC-UHFFFAOYSA-N 1 0 460.452 5.545 50 0 JKAARO O=C(Nc1ncc(Cc2cccc(Cl)c2Cl)s1)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000069653696 569693635 /nfs/dbraw/zinc/69/36/35/569693635.db2.gz DLHFYUFBZLQSKR-KRWDZBQOSA-N 1 0 461.418 5.286 50 0 JKAARO CC[N@@H+]1CCc2c(sc3c2CN(C(=O)Nc2ccccc2F)[C@H](c2ccccc2)c2cccn2-3)C1 ZINC000035427444 569694397 /nfs/dbraw/zinc/69/43/97/569694397.db2.gz ULFDVCGUAGWVTI-AREMUKBSSA-N 1 0 486.616 6.193 50 0 JKAARO CC[N@@H+]1CCc2c(sc3c2CN(C(=O)Nc2ccc(C)cc2)[C@H](c2ccccc2)c2cccn2-3)C1 ZINC000035427431 569694446 /nfs/dbraw/zinc/69/44/46/569694446.db2.gz GJTKIVGHOUVHFF-HHHXNRCGSA-N 1 0 482.653 6.362 50 0 JKAARO CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@@H]5O[C@]6(CC[C@@H](C)C[NH2+]6)[C@@H](C)[C@@H]5[C@@]4(C)CC[C@@H]32)C1 ZINC000070688130 569695693 /nfs/dbraw/zinc/69/56/93/569695693.db2.gz MCQNPWNREVNWDQ-IKEOEMBBSA-N 1 0 455.683 5.858 50 0 biogenic JKAARO CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](C[C@@H]5O[C@]6(CC[C@@H](C)C[NH2+]6)[C@@H](C)[C@@H]54)[C@H]3CC[C@H]2C1 ZINC000070688078 569695746 /nfs/dbraw/zinc/69/57/46/569695746.db2.gz JOQMJOQWYFDNSH-CGTIEXOASA-N 1 0 457.699 5.938 50 0 biogenic JKAARO CC[NH+](CC)CC[C@]1(c2ccccc2)c2ccccc2N(N(C)Cc2cccc(Cl)c2)C1=O ZINC000071767375 569697475 /nfs/dbraw/zinc/69/74/75/569697475.db2.gz XFOYUGKNSRZAEC-NDEPHWFRSA-N 1 0 462.037 5.752 50 0 JKAARO CN(Cc1ccccc1Cl)N1c2ccccc2[C@](CC[NH+]2CCCCC2)(c2ccccc2)C1=O ZINC000071767379 569697478 /nfs/dbraw/zinc/69/74/78/569697478.db2.gz ANZIRVVNDMHSTQ-LJAQVGFWSA-N 1 0 474.048 5.896 50 0 JKAARO CC[NH+](CC)CC[C@@]1(c2ccccc2)c2ccccc2N(N(C)Cc2cccc(Cl)c2)C1=O ZINC000071767376 569697479 /nfs/dbraw/zinc/69/74/79/569697479.db2.gz XFOYUGKNSRZAEC-MUUNZHRXSA-N 1 0 462.037 5.752 50 0 JKAARO Cc1ccc(S(=O)(=O)N[C@@H](c2cccc3ccccc32)[C@@H]([NH3+])c2cccc3ccccc32)cc1 ZINC000071773555 569698128 /nfs/dbraw/zinc/69/81/28/569698128.db2.gz GYVYYRQMNGSCRR-VMPREFPWSA-N 1 0 466.606 6.021 50 0 JKAARO CCOc1ccc(NC(=O)C2CC[NH+](Cc3cc4ccccc4n3Cc3cccc(F)c3)CC2)cc1 ZINC000035511074 569698293 /nfs/dbraw/zinc/69/82/93/569698293.db2.gz YWYQIJQRQXOJGQ-UHFFFAOYSA-N 1 0 485.603 6.078 50 0 JKAARO CCOc1ccc(CNC(=O)C2CC[NH+](Cc3cc4ccccc4n3Cc3ccccc3)CC2)cc1 ZINC000035511068 569698364 /nfs/dbraw/zinc/69/83/64/569698364.db2.gz LWCSRPOJJUFKAG-UHFFFAOYSA-N 1 0 481.640 5.617 50 0 JKAARO CC(C)CCOc1ccc(CN(CC(C)(C)[NH+](C)C)C(=O)C2CCN(C(=O)C(C)(C)C)CC2)cc1 ZINC000072272109 569701390 /nfs/dbraw/zinc/70/13/90/569701390.db2.gz DLSVTTDUDAUZRG-UHFFFAOYSA-N 1 0 487.729 5.065 50 0 JKAARO Cc1ccccc1C[NH+]1CCC(CNC(=O)c2nn(C)c3c2CSc2ccc(Cl)cc2-3)CC1 ZINC000035534877 569701545 /nfs/dbraw/zinc/70/15/45/569701545.db2.gz WMMVXPRTZAWQOK-UHFFFAOYSA-N 1 0 481.065 5.297 50 0 JKAARO Cc1cccc(CN(C(=O)Nc2c(C(C)C)cccc2C(C)C)C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000035686854 569706875 /nfs/dbraw/zinc/70/68/75/569706875.db2.gz PYAOHPWQLXZSSX-UHFFFAOYSA-N 1 0 498.715 7.336 50 0 JKAARO Cc1cccc(CN(C(=O)Nc2cccc(C(F)(F)F)c2)C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000035686844 569706893 /nfs/dbraw/zinc/70/68/93/569706893.db2.gz FYLSOBHKGZCZNN-UHFFFAOYSA-N 1 0 482.550 6.108 50 0 JKAARO CCOc1ccc(CN(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H](C)CCC[NH+](CC)CC)cc1 ZINC000035686706 569706902 /nfs/dbraw/zinc/70/69/02/569706902.db2.gz PBFUMBRTUWBPQN-IBGZPJMESA-N 1 0 465.465 6.545 50 0 JKAARO Cc1cccc(CN(C(=O)Nc2ccc(C(F)(F)F)cc2)C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000035686862 569706952 /nfs/dbraw/zinc/70/69/52/569706952.db2.gz HSBWAOAHWPKCJY-UHFFFAOYSA-N 1 0 482.550 6.108 50 0 JKAARO Cc1cccc(CN(C(=O)Nc2cccc3ccccc32)C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000035686848 569706958 /nfs/dbraw/zinc/70/69/58/569706958.db2.gz LTUBGVGFFMHCLB-UHFFFAOYSA-N 1 0 464.613 6.242 50 0 JKAARO CCCCCCc1c(C)c2ccc(OCC(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)c(C)c2oc1=O ZINC000079189929 569707138 /nfs/dbraw/zinc/70/71/38/569707138.db2.gz XEXCAPFIBIZXNG-WIOPSUGQSA-N 1 0 482.665 5.292 50 0 biogenic JKAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1ccc(CSc2ccc(-c3ccccc3)nn2)o1 ZINC000035730156 569709188 /nfs/dbraw/zinc/70/91/88/569709188.db2.gz OMONDUCBTLXVLM-LJQANCHMSA-N 1 0 452.624 5.269 50 0 JKAARO CC(C)c1ccccc1OCc1nc(CN(CC[NH+]2CCCCC2)C(=O)c2ccc(F)cc2)cs1 ZINC000035742040 569709412 /nfs/dbraw/zinc/70/94/12/569709412.db2.gz UZFXLPLHUDFEFV-UHFFFAOYSA-N 1 0 495.664 6.113 50 0 JKAARO Cc1[nH]c2ccccc2c1C[NH+]1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000085389456 569709988 /nfs/dbraw/zinc/70/99/88/569709988.db2.gz ORYJLORRHPBBBO-UHFFFAOYSA-N 1 0 464.440 6.690 50 0 JKAARO O=C(C[C@H](c1cn(Cc2ccc(F)cc2)c2ccccc12)c1ccc(F)cc1)NCC[NH+]1CCCC1 ZINC000035768387 569710220 /nfs/dbraw/zinc/71/02/20/569710220.db2.gz ZSFORCHAUBFVGY-MHZLTWQESA-N 1 0 487.594 5.702 50 0 JKAARO CC[N@H+](CCCNC(=O)c1ccc(Nc2ccnc(-c3cccc(F)c3)n2)cc1)Cc1ccccc1 ZINC000085649765 569712331 /nfs/dbraw/zinc/71/23/31/569712331.db2.gz SIJJLOSIOKSQRQ-UHFFFAOYSA-N 1 0 483.591 5.668 50 0 JKAARO C[N@H+](CCCNC(=O)c1ccc(Nc2ccnc(-c3ccc(F)cc3)n2)cc1)Cc1ccccc1 ZINC000085649470 569712387 /nfs/dbraw/zinc/71/23/87/569712387.db2.gz KAAJCZAUVIDVJY-UHFFFAOYSA-N 1 0 469.564 5.278 50 0 JKAARO Cc1ccc(Cn2cc([C@@H](CC(=O)NCC[NH+]3CCCCC3)c3ccc(F)cc3)c3ccccc32)cc1 ZINC000035815749 569712442 /nfs/dbraw/zinc/71/24/42/569712442.db2.gz IGXRCJGEZYHEHX-LJAQVGFWSA-N 1 0 497.658 6.261 50 0 JKAARO Cc1cc(Nc2nc(C(=O)NCC[N@H+]3CCCC[C@@H]3C)cc3occc32)ccc1Br ZINC000085651287 569712999 /nfs/dbraw/zinc/71/29/99/569712999.db2.gz MVWOFBUVMFRLPP-INIZCTEOSA-N 1 0 471.399 5.247 50 0 JKAARO Cc1ccc(Nc2nc(C(=O)N3CC[NH+](C4CCCCC4)CC3)cc3occc32)cc1Cl ZINC000085651202 569713022 /nfs/dbraw/zinc/71/30/22/569713022.db2.gz PJUYHVRBBHKAPU-UHFFFAOYSA-N 1 0 452.986 5.624 50 0 JKAARO Cc1cc(Nc2nc(C(=O)N3CC[NH+](C4CCCCC4)CC3)cc3occc32)ccc1Br ZINC000085651221 569713080 /nfs/dbraw/zinc/71/30/80/569713080.db2.gz QLSDXICAXNAQRI-UHFFFAOYSA-N 1 0 497.437 5.733 50 0 JKAARO CN(C)c1ccc(C2=[NH+]O[C@@H](CN(Cc3ccccc3)C(=O)Nc3cccc4ccccc43)C2)cc1 ZINC000035835985 569713425 /nfs/dbraw/zinc/71/34/25/569713425.db2.gz XHYAQIBZQDUMTM-AREMUKBSSA-N 1 0 478.596 6.133 50 0 JKAARO CC(C)CC[N@@H+](Cc1cccn1Cc1ccc(C(C)(C)C)cc1)C[C@H](O)COCc1ccco1 ZINC000035840689 569713701 /nfs/dbraw/zinc/71/37/01/569713701.db2.gz WMIJHQVOYGEUIE-MHZLTWQESA-N 1 0 466.666 5.853 50 0 JKAARO Cc1ccccc1OC[C@H](O)C[N@@H+](Cc1cccn1Cc1ccc(F)cc1)CC1CCCCC1 ZINC000035840582 569713768 /nfs/dbraw/zinc/71/37/68/569713768.db2.gz MLIJDYAYLKGRJX-MUUNZHRXSA-N 1 0 464.625 5.806 50 0 JKAARO Cc1ccccc1OC[C@@H](O)C[N@H+](Cc1cccn1Cc1ccc(C(C)(C)C)cc1)Cc1ccccc1 ZINC000035840651 569713775 /nfs/dbraw/zinc/71/37/75/569713775.db2.gz MJNOAHBRHQYCIT-HKBQPEDESA-N 1 0 496.695 6.584 50 0 JKAARO Cc1ccccc1OC[C@H](O)C[N@H+](Cc1cccn1Cc1cccc(C(F)(F)F)c1)CC(C)C ZINC000035840878 569714026 /nfs/dbraw/zinc/71/40/26/569714026.db2.gz JMTYEKBMRYKCGH-RUZDIDTESA-N 1 0 474.567 5.762 50 0 JKAARO CCC[C@H](O)C[N@H+](CCC)CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1 ZINC000035842577 569714092 /nfs/dbraw/zinc/71/40/92/569714092.db2.gz ZTOWJZOICHNDLM-MHZLTWQESA-N 1 0 491.720 5.910 50 0 JKAARO CC(C)C[N@H+](CC(=O)N1CCS[C@@H]1c1ccc(F)cc1)Cc1ccc(Br)cc1 ZINC000035843573 569714377 /nfs/dbraw/zinc/71/43/77/569714377.db2.gz YKBZMPREYIDZJW-JOCHJYFZSA-N 1 0 465.432 5.320 50 0 JKAARO CCCC[N@H+](CC(=O)N1CCS[C@@H]1c1ccc(F)cc1)Cc1ccc(Br)cc1 ZINC000035843601 569714619 /nfs/dbraw/zinc/71/46/19/569714619.db2.gz DPCSDFSBNKVZOM-JOCHJYFZSA-N 1 0 465.432 5.465 50 0 JKAARO CC(C)C[N@H+](CC(=O)N1CCS[C@@H]1c1ccccc1Cl)Cc1ccc(Cl)c(Cl)c1 ZINC000035843714 569714639 /nfs/dbraw/zinc/71/46/39/569714639.db2.gz KQTYQSFNGXYGMI-JOCHJYFZSA-N 1 0 471.881 6.379 50 0 JKAARO CC(C)[C@@H](C)[N@H+](Cc1cccn1Cc1ccc(C(F)(F)F)cc1)Cc1cc(F)ccc1F ZINC000035844693 569715178 /nfs/dbraw/zinc/71/51/78/569715178.db2.gz RDSXXVAVAHDYEK-GOSISDBHSA-N 1 0 450.495 6.880 50 0 JKAARO CC(C)[C@H](C)[N@H+](Cc1cccn1Cc1ccc(C(F)(F)F)cc1)Cc1cc(F)ccc1F ZINC000035844694 569715191 /nfs/dbraw/zinc/71/51/91/569715191.db2.gz RDSXXVAVAHDYEK-SFHVURJKSA-N 1 0 450.495 6.880 50 0 JKAARO Fc1ccc(C[N@@H+](Cc2cccn2Cc2ccc(C(F)(F)F)cc2)CC2CCCCC2)cc1 ZINC000035844702 569715261 /nfs/dbraw/zinc/71/52/61/569715261.db2.gz AUJUJSJBJIJEEF-UHFFFAOYSA-N 1 0 458.543 7.277 50 0 JKAARO CCCC[N@H+](CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1cccc(C(=O)OC)c1 ZINC000035844758 569715362 /nfs/dbraw/zinc/71/53/62/569715362.db2.gz IEBWEDZNNQTBFY-UHFFFAOYSA-N 1 0 476.617 5.248 50 0 JKAARO Cc1ccc(CN(CCc2ccccc2)C(=O)C[N@@H+](Cc2cccc(Cl)c2)CC2CC2)o1 ZINC000035845008 569715817 /nfs/dbraw/zinc/71/58/17/569715817.db2.gz NERPDHFTPDAWPG-UHFFFAOYSA-N 1 0 451.010 5.725 50 0 JKAARO c1ccc(CCc2nc3sc4c(c3c(N3CC[NH+](Cc5ccccc5)CC3)n2)CCCC4)cc1 ZINC000035848800 569716172 /nfs/dbraw/zinc/71/61/72/569716172.db2.gz VYUZKMWVIZRIGA-UHFFFAOYSA-N 1 0 468.670 5.678 50 0 JKAARO Cc1ccc(/C=C2\C[N@@H+](C)CC3=C2N=C2SC=C(c4ccc(C)cc4)N2[C@H]3c2ccc(C)cc2)cc1 ZINC000035851491 569716395 /nfs/dbraw/zinc/71/63/95/569716395.db2.gz YDPANSBZLXGNPK-KAEZHMCDSA-N 1 0 489.688 7.353 50 0 JKAARO CCCCn1c(C[NH+]2CCC(C)CC2)nc2cc(NC(=O)c3ccc(OC)c(OC)c3)ccc21 ZINC000086048502 569716914 /nfs/dbraw/zinc/71/69/14/569716914.db2.gz DLFHMWWVANGKKA-UHFFFAOYSA-N 1 0 464.610 5.338 50 0 JKAARO CCn1cc([C@@H](CC(=O)NCC[NH+]2CCCCC2)c2cccc(Oc3ccccc3)c2)c2ccccc21 ZINC000035872199 569719233 /nfs/dbraw/zinc/71/92/33/569719233.db2.gz GELHRDWSZPZNIT-LJAQVGFWSA-N 1 0 495.667 6.578 50 0 JKAARO CC[C@H](C)c1ccc([C@H]([NH2+]CC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)C(C)C)cc1 ZINC000089942359 569720516 /nfs/dbraw/zinc/72/05/16/569720516.db2.gz FDNDXCBTGPAKGY-QMHKHESXSA-N 1 0 451.032 5.182 50 0 JKAARO CC[C@@H](C)c1ccc([C@@H]([NH2+]CC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)C(C)C)cc1 ZINC000089942360 569720601 /nfs/dbraw/zinc/72/06/01/569720601.db2.gz FDNDXCBTGPAKGY-MWTRTKDXSA-N 1 0 451.032 5.182 50 0 JKAARO CCc1cccc2c([C@@H](CC(=O)N[C@@H](C)CCC[NH+](CC)CC)c3ccc(Cl)cc3)c[nH]c21 ZINC000035888709 569721238 /nfs/dbraw/zinc/72/12/38/569721238.db2.gz PQWSANHAXWLOAR-CPJSRVTESA-N 1 0 468.085 6.532 50 0 JKAARO CCc1cccc2c([C@@H](CC(=O)N[C@H](C)CCC[NH+](CC)CC)c3ccc(Cl)cc3)c[nH]c21 ZINC000035888714 569721248 /nfs/dbraw/zinc/72/12/48/569721248.db2.gz PQWSANHAXWLOAR-NLFFAJNJSA-N 1 0 468.085 6.532 50 0 JKAARO CCc1cccc2c([C@@H](CC(=O)NCCC[N@@H+]3CCCC[C@@H]3C)c3ccc(Cl)cc3)c[nH]c21 ZINC000035888739 569721420 /nfs/dbraw/zinc/72/14/20/569721420.db2.gz WUIGXMGIOVTSLX-CPJSRVTESA-N 1 0 466.069 6.286 50 0 JKAARO CCc1cccc2c([C@@H](CC(=O)NCCC[N@@H+]3CCCC[C@@H]3C)c3cccc(OC)c3)c[nH]c21 ZINC000035889377 569721534 /nfs/dbraw/zinc/72/15/34/569721534.db2.gz STMRDAIUTZRKPM-LVXARBLLSA-N 1 0 461.650 5.642 50 0 JKAARO c1ccc(Cc2nc3sc4c(c3c(N3CC[NH+](CCOc5ccccc5)CC3)n2)CCCCC4)cc1 ZINC000035893037 569722658 /nfs/dbraw/zinc/72/26/58/569722658.db2.gz CWYWGWAFTDEFKZ-UHFFFAOYSA-N 1 0 498.696 5.752 50 0 JKAARO CC(C)c1nc2sc3c(c2c(N2CC[NH+](CCOc4ccccc4)CC2)n1)CCCCC3 ZINC000035893013 569722688 /nfs/dbraw/zinc/72/26/88/569722688.db2.gz XYATZHDCOQJELU-UHFFFAOYSA-N 1 0 450.652 5.285 50 0 JKAARO O=C(Nc1ccc(F)cc1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](C3CCCC3)C[C@H]12 ZINC000035908071 569723919 /nfs/dbraw/zinc/72/39/19/569723919.db2.gz PCTUIEORURJKFZ-FYYLOGMGSA-N 1 0 461.503 5.089 50 0 JKAARO CCc1cccc2c([C@@H](CC(=O)N[C@H](C)CCC[NH+](CC)CC)c3ccccc3OC)c[nH]c21 ZINC000035908361 569724175 /nfs/dbraw/zinc/72/41/75/569724175.db2.gz JWCJNCSVUDJIQL-BWKNWUBXSA-N 1 0 463.666 5.888 50 0 JKAARO CCCCc1nc2c(c(C)nn2-c2ccccc2)c(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)n1 ZINC000035924694 569728147 /nfs/dbraw/zinc/72/81/47/569728147.db2.gz KKTPYFJCASPCIA-UHFFFAOYSA-N 1 0 472.612 5.318 50 0 JKAARO CCCCc1nc2c(c(C)nn2-c2ccccc2)c(N2CCC[N@H+](Cc3ccccc3)CC2)n1 ZINC000035924693 569728154 /nfs/dbraw/zinc/72/81/54/569728154.db2.gz CQGFYRKJGWQKRM-UHFFFAOYSA-N 1 0 454.622 5.179 50 0 JKAARO CCCCc1nc2c(c(C)nn2-c2ccccc2)c(N2CCC[N@H+](Cc3ccc(OC)cc3)CC2)n1 ZINC000035924692 569728174 /nfs/dbraw/zinc/72/81/74/569728174.db2.gz RNYWVUKVTZYFFF-UHFFFAOYSA-N 1 0 484.648 5.187 50 0 JKAARO Cc1cccc(C[N@@H+]2CCCN(c3nc(Cc4ccccc4)nc4c3cnn4-c3ccccc3)CC2)c1 ZINC000035925678 569729035 /nfs/dbraw/zinc/72/90/35/569729035.db2.gz KHLWYSZRKUTVDF-UHFFFAOYSA-N 1 0 488.639 5.427 50 0 JKAARO CCC[C@@H](C)c1nc2c(cnn2-c2ccccc2)c(N2CCC[N@H+](Cc3ccc(OC)cc3)CC2)n1 ZINC000035926122 569729358 /nfs/dbraw/zinc/72/93/58/569729358.db2.gz GHFHULZGHFSAQP-JOCHJYFZSA-N 1 0 484.648 5.440 50 0 JKAARO CCCCCN1c2ccccc2S/C1=C\C=C/C=C\c1sc2ccccc2[n+]1CCCCC ZINC000095913144 569729433 /nfs/dbraw/zinc/72/94/33/569729433.db2.gz VQUPNINBKZNSMX-UHFFFAOYSA-N 1 0 475.747 8.592 50 0 JKAARO CCC[C@@H](C)c1nc2c(cnn2-c2ccccc2)c(N2CCC[N@H+](Cc3cccc(C)c3)CC2)n1 ZINC000035926134 569729540 /nfs/dbraw/zinc/72/95/40/569729540.db2.gz WDGUONBBRQTNPY-HSZRJFAPSA-N 1 0 468.649 5.740 50 0 JKAARO CCC[C@H](C)c1nc2c(cnn2-c2ccccc2)c(N2CCC[N@H+](Cc3cccc(OC)c3)CC2)n1 ZINC000035926133 569729546 /nfs/dbraw/zinc/72/95/46/569729546.db2.gz GPXOWNDZGNIJPO-QFIPXVFZSA-N 1 0 484.648 5.440 50 0 JKAARO CCC[NH+](CCC)CC[C@]1(c2ccccc2)c2ccccc2N(N(C)Cc2ccccc2Cl)C1=O ZINC000096027586 569731972 /nfs/dbraw/zinc/73/19/72/569731972.db2.gz VGCMWUIENABRIP-PMERELPUSA-N 1 0 490.091 6.532 50 0 JKAARO CC[C@H](C(=O)c1ccccc1)[C@@H](c1ccc(OC)cc1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000096027402 569732035 /nfs/dbraw/zinc/73/20/35/569732035.db2.gz CEQWENFCDRGOCF-VMPREFPWSA-N 1 0 457.614 6.211 50 0 JKAARO Cc1ccc2c(-c3cc4c(o3)c(C)ncc4C[NH2+]Cc3ccc4c(c3)OCO4)cc(=O)oc2c1C ZINC000096115222 569734307 /nfs/dbraw/zinc/73/43/07/569734307.db2.gz HENQUWXPKQNIND-UHFFFAOYSA-N 1 0 468.509 5.545 50 0 biogenic JKAARO O=C(COc1ccc2c(c1)[C@@H](c1ccccc1)[N@@H+](Cc1ccccc1)CC2)NCc1ccc(F)cc1 ZINC000096280551 569739996 /nfs/dbraw/zinc/73/99/96/569739996.db2.gz LCYBVZSLHUCBTH-WJOKGBTCSA-N 1 0 480.583 5.669 50 0 JKAARO O=C(COc1ccc2c(c1)[C@H](c1ccccc1)[N@@H+](Cc1ccccc1)CC2)NCc1ccc(F)cc1 ZINC000096280550 569740056 /nfs/dbraw/zinc/74/00/56/569740056.db2.gz LCYBVZSLHUCBTH-HKBQPEDESA-N 1 0 480.583 5.669 50 0 JKAARO Cc1c(-c2ccccc2)nn2c1nc(C)cc2N1CC[NH+](CCOc2cccc3ccccc32)CC1 ZINC000096766507 569742865 /nfs/dbraw/zinc/74/28/65/569742865.db2.gz QJNVOGGIBHDVLE-UHFFFAOYSA-N 1 0 477.612 5.367 50 0 JKAARO Cc1nn2c(nc(C)cc2N2CC[NH+](CCOc3cccc4ccccc43)CC2)c1-c1ccc(F)cc1 ZINC000096766509 569742940 /nfs/dbraw/zinc/74/29/40/569742940.db2.gz QJKFJEDPDFVJKV-UHFFFAOYSA-N 1 0 495.602 5.506 50 0 JKAARO C[NH+]1CCC2(CC1)C[C@H](NC(=O)c1cc(-c3cccnc3)nc3ccccc31)c1ccccc1O2 ZINC000096997115 569744046 /nfs/dbraw/zinc/74/40/46/569744046.db2.gz XZNWZIBVCFVLCU-SANMLTNESA-N 1 0 464.569 5.015 50 0 JKAARO C[N@H+]1CC2=C(N=C3SC=C(c4ccc(F)cc4)N3[C@@H]2c2ccccc2)/C(=C/c2ccccc2)C1 ZINC000036007034 569747637 /nfs/dbraw/zinc/74/76/37/569747637.db2.gz RJAVOASLMSYNDF-JKGSRKHOSA-N 1 0 465.597 6.567 50 0 JKAARO CCC[N@@H+](Cc1c(-c2ccccc2)noc1N(CC)CC)C[C@@H](O)COc1ccccc1C ZINC000036246075 569757726 /nfs/dbraw/zinc/75/77/26/569757726.db2.gz ABXFPLRSAYUOOH-HSZRJFAPSA-N 1 0 451.611 5.148 50 0 JKAARO CCC[N@@H+](Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccc(OC)cc1)C[C@@H](O)CC ZINC000036301660 569759098 /nfs/dbraw/zinc/75/90/98/569759098.db2.gz JYYDLGVJGKCFPH-NRFANRHFSA-N 1 0 458.002 5.618 50 0 JKAARO Cc1nn(-c2cccc(Cl)c2)c(Oc2ccccc2)c1C[N@H+](C[C@H](O)COCC(C)C)CC1CC1 ZINC000036301817 569759245 /nfs/dbraw/zinc/75/92/45/569759245.db2.gz VFQZWBIESLGXNX-VWLOTQADSA-N 1 0 498.067 5.872 50 0 JKAARO C[NH+](C)CCN(Cc1c(-c2ccccc2)noc1N1CCCCC1)C(=O)c1ccc(Cl)cc1 ZINC000036312673 569760291 /nfs/dbraw/zinc/76/02/91/569760291.db2.gz XDZFGCIKDOMSDB-UHFFFAOYSA-N 1 0 467.013 5.189 50 0 JKAARO Cc1cccc(C(=O)N(CC[NH+](C)C)Cc2c(-c3ccccc3)noc2N2CCCC[C@H]2C)c1 ZINC000036312863 569760426 /nfs/dbraw/zinc/76/04/26/569760426.db2.gz YSIZVKKJQSMWML-JOCHJYFZSA-N 1 0 460.622 5.233 50 0 JKAARO Cc1cccc(C(=O)N(CC[NH+](C)C)Cc2c(-c3ccccc3)noc2N2CCCC[C@@H]2C)c1 ZINC000036312862 569760480 /nfs/dbraw/zinc/76/04/80/569760480.db2.gz YSIZVKKJQSMWML-QFIPXVFZSA-N 1 0 460.622 5.233 50 0 JKAARO C[C@@H]1CCCCN1c1onc(-c2ccccc2)c1CN(CC[NH+](C)C)C(=O)c1cccc(F)c1 ZINC000036312854 569760483 /nfs/dbraw/zinc/76/04/83/569760483.db2.gz DQUCMLVLPYPHOD-HXUWFJFHSA-N 1 0 464.585 5.064 50 0 JKAARO CCCC[C@@H](O)C[N@H+](CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1 ZINC000036313830 569761125 /nfs/dbraw/zinc/76/11/25/569761125.db2.gz SJUXGPAIIDDAPP-JOCHJYFZSA-N 1 0 455.574 5.018 50 0 JKAARO CCCCOC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C1CC1 ZINC000036313805 569761128 /nfs/dbraw/zinc/76/11/28/569761128.db2.gz NQIVJVMOJALAOB-XMMPIXPASA-N 1 0 463.622 5.330 50 0 JKAARO CCCCOC[C@H](O)C[N@H+](CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC ZINC000036313793 569761242 /nfs/dbraw/zinc/76/12/42/569761242.db2.gz AQDQFMZPGXOENC-HSZRJFAPSA-N 1 0 481.637 5.278 50 0 JKAARO CCCCOC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccc(Cl)cc2)c1Oc1ccccc1)CC1CC1 ZINC000036313860 569761435 /nfs/dbraw/zinc/76/14/35/569761435.db2.gz DIIRTXKRUJTIMY-VWLOTQADSA-N 1 0 498.067 6.016 50 0 JKAARO CCCC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C(C)C ZINC000036313906 569761438 /nfs/dbraw/zinc/76/14/38/569761438.db2.gz GGSOLJOWMKNCKI-HSZRJFAPSA-N 1 0 451.611 5.743 50 0 JKAARO CCCC[C@@H](O)C[N@H+](Cc1c(CC)nn(-c2ccc(OC)cc2)c1Oc1ccccc1OC)C1CC1 ZINC000036313886 569761459 /nfs/dbraw/zinc/76/14/59/569761459.db2.gz USVGTIDMDVLVDK-HSZRJFAPSA-N 1 0 493.648 5.760 50 0 JKAARO CCCCOC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)C1CC1 ZINC000036313956 569761523 /nfs/dbraw/zinc/76/15/23/569761523.db2.gz MCBHXDPUGQJOMY-QHCPKHFHSA-N 1 0 479.621 5.030 50 0 JKAARO CCCCOC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C(C)C ZINC000036313925 569761642 /nfs/dbraw/zinc/76/16/42/569761642.db2.gz MKINBPPAVSCKET-RUZDIDTESA-N 1 0 465.638 5.669 50 0 JKAARO CCCCOC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)CC1CC1 ZINC000036313970 569761651 /nfs/dbraw/zinc/76/16/51/569761651.db2.gz VYKSUYWLIRCWQP-QHCPKHFHSA-N 1 0 481.612 5.408 50 0 JKAARO CCCCOC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)C(C)C ZINC000036313949 569761678 /nfs/dbraw/zinc/76/16/78/569761678.db2.gz UOMADVPNVNDBED-HSZRJFAPSA-N 1 0 481.637 5.276 50 0 JKAARO CCCCOC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)C(C)C ZINC000036313950 569761687 /nfs/dbraw/zinc/76/16/87/569761687.db2.gz UOMADVPNVNDBED-QHCPKHFHSA-N 1 0 481.637 5.276 50 0 JKAARO CCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)C[C@@H](O)COC(C)C ZINC000036316051 569762048 /nfs/dbraw/zinc/76/20/48/569762048.db2.gz RIOONBJEGWZJFK-HSZRJFAPSA-N 1 0 451.611 5.186 50 0 JKAARO Cc1ccc(Oc2c(C[N@@H+](C[C@@H](O)COC(C)C)C(C)C)c(-c3ccccc3)nn2C)cc1 ZINC000036316023 569762069 /nfs/dbraw/zinc/76/20/69/569762069.db2.gz OWMOFNVHCOHDPF-HSZRJFAPSA-N 1 0 451.611 5.184 50 0 JKAARO CC(C)OC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1F)CC1CC1 ZINC000036316160 569762078 /nfs/dbraw/zinc/76/20/78/569762078.db2.gz DXENYHHPZFSESV-JOCHJYFZSA-N 1 0 485.575 5.156 50 0 JKAARO Cc1ccc(Oc2c(C[N@@H+](C[C@H](O)COC(C)C)C(C)C)c(-c3ccccc3)nn2C)cc1 ZINC000036316022 569762087 /nfs/dbraw/zinc/76/20/87/569762087.db2.gz OWMOFNVHCOHDPF-QHCPKHFHSA-N 1 0 451.611 5.184 50 0 JKAARO Cn1nc(-c2ccccc2)c(C[N@H+](C[C@@H](O)COC(C)(C)C)C2CC2)c1Oc1ccccc1F ZINC000036316190 569762294 /nfs/dbraw/zinc/76/22/94/569762294.db2.gz MDXLPBCTTRCIJU-OAQYLSRUSA-N 1 0 467.585 5.159 50 0 JKAARO Cn1nc(-c2ccccc2)c(C[N@@H+](Cc2ccccc2)C[C@H](O)COC(C)(C)C)c1Oc1ccccc1 ZINC000036316205 569762339 /nfs/dbraw/zinc/76/23/39/569762339.db2.gz YOGLJIZEPRQMMU-SANMLTNESA-N 1 0 499.655 6.058 50 0 JKAARO CCCC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1F)CC1CC1 ZINC000036316181 569762360 /nfs/dbraw/zinc/76/23/60/569762360.db2.gz OQCKMXJXFJOGBW-JOCHJYFZSA-N 1 0 469.576 5.921 50 0 JKAARO CC[C@H](C)[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@H](O)COC(C)(C)C ZINC000036316221 569762390 /nfs/dbraw/zinc/76/23/90/569762390.db2.gz IUTHTCQHVWIAND-GMAHTHKFSA-N 1 0 465.638 5.656 50 0 JKAARO CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@H+](C[C@@H](O)COC(C)C)CC1CC1 ZINC000036316323 569762501 /nfs/dbraw/zinc/76/25/01/569762501.db2.gz JVXWXJYJQFTKSA-XMMPIXPASA-N 1 0 463.622 5.225 50 0 JKAARO CCOC[C@H](O)C[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1)[C@@H](C)CC ZINC000036316291 569762546 /nfs/dbraw/zinc/76/25/46/569762546.db2.gz JWLNMDNBMHROPI-JTHBVZDNSA-N 1 0 451.611 5.225 50 0 JKAARO CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@H+](C[C@H](O)COc1ccccc1)CC1CC1 ZINC000036316320 569762587 /nfs/dbraw/zinc/76/25/87/569762587.db2.gz YVJIHZPNUGUKFT-SANMLTNESA-N 1 0 497.639 5.879 50 0 JKAARO CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@H+](C[C@H](O)COC(C)(C)C)C(C)C ZINC000036316268 569762636 /nfs/dbraw/zinc/76/26/36/569762636.db2.gz UUQRSKVVSVDMID-QHCPKHFHSA-N 1 0 465.638 5.613 50 0 JKAARO CCCC(=O)OC[C@H](O)C[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1)C(C)C ZINC000036316272 569762677 /nfs/dbraw/zinc/76/26/77/569762677.db2.gz COKFWXLODKKFKB-HSZRJFAPSA-N 1 0 479.621 5.142 50 0 JKAARO CCc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[N@H+](C[C@H](O)COC(C)C)CC1CC1 ZINC000036316522 569763159 /nfs/dbraw/zinc/76/31/59/569763159.db2.gz RQVVFDLQDQEHQC-DEOSSOPVSA-N 1 0 481.612 5.364 50 0 JKAARO CCCC[C@H](O)C[NH+]1CCN(c2nc(-c3ccccc3)nc(C)c2Cc2ccc(Cl)cc2)CC1 ZINC000036340284 569763683 /nfs/dbraw/zinc/76/36/83/569763683.db2.gz TWOMPAFTSQXIOF-VWLOTQADSA-N 1 0 479.068 5.369 50 0 JKAARO CC[C@@H](C)[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C[C@H](O)COC(C)C ZINC000036341982 569765000 /nfs/dbraw/zinc/76/50/00/569765000.db2.gz DHSMAQLGFKJTPZ-QPPBQGQZSA-N 1 0 481.637 5.368 50 0 JKAARO CC[C@@H](C)[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C[C@H](O)COCC(C)C ZINC000036341984 569765005 /nfs/dbraw/zinc/76/50/05/569765005.db2.gz PNSFRKJRAJXYBE-RDGATRHJSA-N 1 0 495.664 5.616 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[N@@H+](C[C@H](O)COC(C)(C)C)C(C)C ZINC000036342060 569765264 /nfs/dbraw/zinc/76/52/64/569765264.db2.gz BGJFZLNKUAQODU-QHCPKHFHSA-N 1 0 469.601 5.499 50 0 JKAARO CCOC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)[C@@H](C)CC ZINC000036342081 569765273 /nfs/dbraw/zinc/76/52/73/569765273.db2.gz LEPSVFLGUWXHOD-CVDCTZTESA-N 1 0 455.574 5.110 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[N@H+](C[C@H](O)COC(C)C)CC1CC1 ZINC000036342114 569765466 /nfs/dbraw/zinc/76/54/66/569765466.db2.gz HHYXBQPVSFEBMX-DEOSSOPVSA-N 1 0 467.585 5.110 50 0 JKAARO CCOc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2C(=O)C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000036343967 569766687 /nfs/dbraw/zinc/76/66/87/569766687.db2.gz PHGOOCGYWCCBLS-PMERELPUSA-N 1 0 499.630 5.857 50 0 JKAARO O=C(C[NH+]1CCC(Cc2ccccc2)CC1)N1N=C(c2ccccc2)C[C@@H]1c1ccc2c(c1)OCO2 ZINC000036344421 569767108 /nfs/dbraw/zinc/76/71/08/569767108.db2.gz RUECOLNZTVKUPB-HHHXNRCGSA-N 1 0 481.596 5.048 50 0 JKAARO Cc1ccc(C2=NN(C(=O)C[NH+]3CCC(Cc4ccccc4)CC3)[C@H](c3cc(C)ccc3C)C2)cc1 ZINC000036344608 569767298 /nfs/dbraw/zinc/76/72/98/569767298.db2.gz MIMGRXDUUZUXGG-HKBQPEDESA-N 1 0 479.668 6.244 50 0 JKAARO Cc1cccc(C2=NN(C(=O)C[NH+]3CCC(Cc4ccccc4)CC3)[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000036345051 569767697 /nfs/dbraw/zinc/76/76/97/569767697.db2.gz FVYCZKVABPGJTG-LJAQVGFWSA-N 1 0 486.059 6.281 50 0 JKAARO COc1ccccc1[C@H]1CC(c2ccc(C)cc2)=NN1C(=O)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000036345294 569767869 /nfs/dbraw/zinc/76/78/69/569767869.db2.gz AKEHCNXAEUVSDV-GDLZYMKVSA-N 1 0 481.640 5.636 50 0 JKAARO COc1cccc([C@@H]2CC(c3ccc(C)cc3C)=NN2C(=O)C[NH+]2CCC(Cc3ccccc3)CC2)c1 ZINC000036345671 569768192 /nfs/dbraw/zinc/76/81/92/569768192.db2.gz VIUBUZABOPXMIQ-HKBQPEDESA-N 1 0 495.667 5.944 50 0 JKAARO CCc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[N@H+](C[C@H](O)COCC(C)C)C(C)C ZINC000036345805 569768200 /nfs/dbraw/zinc/76/82/00/569768200.db2.gz UYZIJLMETHNOMT-DEOSSOPVSA-N 1 0 483.628 5.610 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@@H+](C[C@@H](O)COCC(C)C)C(C)C ZINC000036345862 569768346 /nfs/dbraw/zinc/76/83/46/569768346.db2.gz SYWSBQZXBCJZRJ-RUZDIDTESA-N 1 0 465.638 5.525 50 0 JKAARO CC[C@H](C)[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C[C@H](O)COC(C)(C)C ZINC000036345824 569768383 /nfs/dbraw/zinc/76/83/83/569768383.db2.gz KVAVRNVXBLSTPT-DHLKQENFSA-N 1 0 479.665 6.058 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@H+](CC(C)C)C[C@H](O)Cc1ccccc1 ZINC000036345833 569768412 /nfs/dbraw/zinc/76/84/12/569768412.db2.gz OIPASKBPZIVLGL-MUUNZHRXSA-N 1 0 483.656 6.343 50 0 JKAARO CCCCOC[C@@H](O)C[N@H+](CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1 ZINC000036345906 569768421 /nfs/dbraw/zinc/76/84/21/569768421.db2.gz CQXFFHHIKJJBEZ-VWLOTQADSA-N 1 0 465.638 5.671 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@H+](CC(C)C)C[C@@H](O)COC(C)C ZINC000036345832 569768484 /nfs/dbraw/zinc/76/84/84/569768484.db2.gz PUYPNAZMNOXLPM-RUZDIDTESA-N 1 0 465.638 5.525 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@@H+](C[C@H](O)c1ccccc1)C(C)C ZINC000036345851 569768495 /nfs/dbraw/zinc/76/84/95/569768495.db2.gz BVOPHELQAZEIRI-NDEPHWFRSA-N 1 0 455.602 6.225 50 0 JKAARO CCCCOC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)CC(C)C ZINC000036345959 569768526 /nfs/dbraw/zinc/76/85/26/569768526.db2.gz SPWGLHCQCYOKEC-XMMPIXPASA-N 1 0 483.628 5.748 50 0 JKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@@H](O)Cc1ccccc1 ZINC000036345918 569768577 /nfs/dbraw/zinc/76/85/77/569768577.db2.gz BIBCLXPTOMLJFG-MHZLTWQESA-N 1 0 469.629 6.097 50 0 JKAARO CCCC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)CC(C)C ZINC000036345958 569768583 /nfs/dbraw/zinc/76/85/83/569768583.db2.gz DYFKMMUOZPFYJY-HSZRJFAPSA-N 1 0 453.602 6.121 50 0 JKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@@H](O)COCc1ccccc1 ZINC000036345912 569768589 /nfs/dbraw/zinc/76/85/89/569768589.db2.gz NJYNMSBGHMGZIV-MUUNZHRXSA-N 1 0 499.655 6.071 50 0 JKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@H](O)Cc1ccccc1 ZINC000036345917 569768598 /nfs/dbraw/zinc/76/85/98/569768598.db2.gz BIBCLXPTOMLJFG-HHHXNRCGSA-N 1 0 469.629 6.097 50 0 JKAARO CCCC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)CC(C)C ZINC000036345957 569768619 /nfs/dbraw/zinc/76/86/19/569768619.db2.gz DYFKMMUOZPFYJY-QHCPKHFHSA-N 1 0 453.602 6.121 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@H+](C[C@@H](O)COC(C)(C)C)CC1CC1 ZINC000036345950 569768622 /nfs/dbraw/zinc/76/86/22/569768622.db2.gz RYSVLAXRSDLODX-RUZDIDTESA-N 1 0 477.649 5.669 50 0 JKAARO CCCCOC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)CC1CC1 ZINC000036346078 569768718 /nfs/dbraw/zinc/76/87/18/569768718.db2.gz DVASJIWXUKAWFB-DEOSSOPVSA-N 1 0 481.612 5.502 50 0 JKAARO CCCCOC[C@H](O)C[N@H+](CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F ZINC000036346045 569768866 /nfs/dbraw/zinc/76/88/66/569768866.db2.gz NLCPGBLUOJOKPX-HSZRJFAPSA-N 1 0 469.601 5.502 50 0 JKAARO CCOC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)CC(C)C ZINC000036346135 569768969 /nfs/dbraw/zinc/76/89/69/569768969.db2.gz DLZMLUABAQLWLJ-XMMPIXPASA-N 1 0 451.611 5.137 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1C[N@H+](CC(C)C)C[C@@H](O)Cc1ccccc1 ZINC000036346118 569769100 /nfs/dbraw/zinc/76/91/00/569769100.db2.gz CFLAHKBTVQYGAH-NDEPHWFRSA-N 1 0 483.656 6.343 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@H+](CC(C)C)C[C@H](O)COC(C)(C)C ZINC000036346229 569769169 /nfs/dbraw/zinc/76/91/69/569769169.db2.gz VFXIQKQKXDLWEV-DEOSSOPVSA-N 1 0 483.628 5.746 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@H+](CC(C)C)C[C@@H](O)COC(C)(C)C ZINC000036346230 569769314 /nfs/dbraw/zinc/76/93/14/569769314.db2.gz VFXIQKQKXDLWEV-XMMPIXPASA-N 1 0 483.628 5.746 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@H+](C[C@H](O)COC(C)(C)C)CC1CC1 ZINC000036346433 569769766 /nfs/dbraw/zinc/76/97/66/569769766.db2.gz JDKXREOCSLHTTF-DEOSSOPVSA-N 1 0 481.612 5.500 50 0 JKAARO CCCC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)CC1CC1 ZINC000036346415 569769772 /nfs/dbraw/zinc/76/97/72/569769772.db2.gz AKBWHOUEHHGDIT-DEOSSOPVSA-N 1 0 451.586 5.875 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@H+](C[C@@H](O)COC(C)C)CC1CC1 ZINC000036346420 569769799 /nfs/dbraw/zinc/76/97/99/569769799.db2.gz WXJHIVPEWPVKGJ-XMMPIXPASA-N 1 0 467.585 5.110 50 0 JKAARO CCCC[C@H](O)C[N@H+](CCC)Cc1c(C(C)C)nn(-c2ccc(OC)cc2)c1Oc1ccccc1 ZINC000036346501 569769858 /nfs/dbraw/zinc/76/98/58/569769858.db2.gz QKNJISXGQMSZFN-DEOSSOPVSA-N 1 0 479.665 6.560 50 0 JKAARO CCOC[C@@H](O)C[N@H+](Cc1c(C(C)C)nn(-c2ccc(OC)cc2)c1Oc1ccccc1)C(C)C ZINC000036346480 569769894 /nfs/dbraw/zinc/76/98/94/569769894.db2.gz VYXDSJNCVPVWME-QHCPKHFHSA-N 1 0 481.637 5.404 50 0 JKAARO CCc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@H+](C[C@H](O)COC(C)(C)C)C(C)C ZINC000036346515 569769918 /nfs/dbraw/zinc/76/99/18/569769918.db2.gz XIIGZKLOGVPJLS-DEOSSOPVSA-N 1 0 479.665 5.922 50 0 JKAARO COC[C@H](O)C[N@H+](Cc1c(C(C)C)nn(-c2ccc(OC)cc2)c1Oc1ccccc1)C(C)C ZINC000036346478 569769930 /nfs/dbraw/zinc/76/99/30/569769930.db2.gz MMBQQZLJSBIPIE-JOCHJYFZSA-N 1 0 467.610 5.014 50 0 JKAARO CCc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@H+](C[C@@H](O)COC(C)(C)C)C(C)C ZINC000036346516 569769949 /nfs/dbraw/zinc/76/99/49/569769949.db2.gz XIIGZKLOGVPJLS-XMMPIXPASA-N 1 0 479.665 5.922 50 0 JKAARO CCC[N@@H+](Cc1c(C(C)C)nn(-c2ccc(OC)cc2)c1Oc1ccccc1)C[C@H](O)CC ZINC000036346493 569769971 /nfs/dbraw/zinc/76/99/71/569769971.db2.gz HWCJWANYMFSTNX-JOCHJYFZSA-N 1 0 451.611 5.780 50 0 JKAARO CCOC[C@H](O)C[N@@H+](Cc1c(C(C)C)nn(-c2ccc(OC)cc2)c1Oc1ccccc1)CC1CC1 ZINC000036346505 569770003 /nfs/dbraw/zinc/77/00/03/569770003.db2.gz YLMCPTUNPNTTKO-XMMPIXPASA-N 1 0 493.648 5.406 50 0 JKAARO CCc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@H+](C[C@H](O)COCC(C)C)CC1CC1 ZINC000036346536 569770054 /nfs/dbraw/zinc/77/00/54/569770054.db2.gz YIVFIKWMJGUMEG-SANMLTNESA-N 1 0 491.676 5.781 50 0 JKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccccc1F)C[C@H](O)Cc1ccccc1 ZINC000036346597 569770078 /nfs/dbraw/zinc/77/00/78/569770078.db2.gz NYALNCDPWDHVKX-RUZDIDTESA-N 1 0 491.582 6.067 50 0 JKAARO Cc1nn(-c2ccc(F)cc2)c(Oc2ccccc2F)c1C[N@@H+](C[C@@H](O)COCC(C)C)C(C)C ZINC000036346582 569770087 /nfs/dbraw/zinc/77/00/87/569770087.db2.gz IGQZITKTLQFPEA-HSZRJFAPSA-N 1 0 487.591 5.495 50 0 JKAARO CCCCOC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1cccc(F)c1)C(C)C ZINC000036346649 569770317 /nfs/dbraw/zinc/77/03/17/569770317.db2.gz DQSMENXEBDOPPS-XMMPIXPASA-N 1 0 487.591 5.639 50 0 JKAARO CCCC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1)C(C)C ZINC000036346716 569770530 /nfs/dbraw/zinc/77/05/30/569770530.db2.gz VOLHTWLHEXVGSZ-HSZRJFAPSA-N 1 0 457.565 6.013 50 0 JKAARO CCCCOC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1)C(C)C ZINC000036346718 569770590 /nfs/dbraw/zinc/77/05/90/569770590.db2.gz ZCRPYWWPKADFLK-DEOSSOPVSA-N 1 0 487.591 5.639 50 0 JKAARO CCCC[C@H](O)C[N@H+](CCC)Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1cccc(F)c1 ZINC000036346673 569770646 /nfs/dbraw/zinc/77/06/46/569770646.db2.gz CZZONSRXLHMAHL-QHCPKHFHSA-N 1 0 457.565 6.014 50 0 JKAARO Cc1nn(-c2ccc(F)cc2)c(Oc2ccc(F)cc2)c1C[N@H+](C[C@H](O)Cc1ccccc1)C1CC1 ZINC000036346721 569770661 /nfs/dbraw/zinc/77/06/61/569770661.db2.gz KIUWBHZQVJGARZ-AREMUKBSSA-N 1 0 489.566 5.819 50 0 JKAARO CC[C@@H](C)[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)C[C@H](O)COC(C)C ZINC000036346811 569770875 /nfs/dbraw/zinc/77/08/75/569770875.db2.gz QZNCKAWIYKWUHU-VWNXMTODSA-N 1 0 465.638 5.574 50 0 JKAARO Cc1ccc(Oc2c(C[N@H+](Cc3ccccc3)C[C@H](O)COC(C)C)c(-c3ccccc3)nn2C)cc1 ZINC000036346797 569770881 /nfs/dbraw/zinc/77/08/81/569770881.db2.gz RUSYDLAXUJESFB-MHZLTWQESA-N 1 0 499.655 5.976 50 0 JKAARO Cc1ccc(Oc2c(C[N@@H+](CC(C)C)C[C@@H](O)COCC(C)C)c(-c3ccccc3)nn2C)cc1 ZINC000036346776 569770890 /nfs/dbraw/zinc/77/08/90/569770890.db2.gz LHVWJGULSAETLU-RUZDIDTESA-N 1 0 479.665 5.679 50 0 JKAARO CC[C@@H](C)[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)C[C@H](O)COCC(C)C ZINC000036346813 569770902 /nfs/dbraw/zinc/77/09/02/569770902.db2.gz WTKFVCJZKFJSMO-NOZRDPDXSA-N 1 0 479.665 5.822 50 0 JKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1)C[C@H](O)COC(C)C ZINC000036346745 569770911 /nfs/dbraw/zinc/77/09/11/569770911.db2.gz CKXMLGAWMWUXSL-QHCPKHFHSA-N 1 0 473.564 5.249 50 0 JKAARO CCOC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)[C@@H](C)CC ZINC000036346826 569771000 /nfs/dbraw/zinc/77/10/00/569771000.db2.gz ZQRJAOLFBFJXNK-GMAHTHKFSA-N 1 0 451.611 5.186 50 0 JKAARO CCOC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)[C@H](C)CC ZINC000036346825 569771101 /nfs/dbraw/zinc/77/11/01/569771101.db2.gz ZQRJAOLFBFJXNK-GGAORHGYSA-N 1 0 451.611 5.186 50 0 JKAARO C[C@@H](NC(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000036392926 569774638 /nfs/dbraw/zinc/77/46/38/569774638.db2.gz RFPNQTNHECCPOL-OAQYLSRUSA-N 1 0 471.605 5.355 50 0 JKAARO Cc1sc(NC(=O)c2ccco2)c([C@@H](c2cccc(C(F)(F)F)c2)[N@@H+]2C[C@H](C)C[C@H](C)C2)c1C ZINC000036405665 569775467 /nfs/dbraw/zinc/77/54/67/569775467.db2.gz YIYHGBBJAPVMAK-VBURHUQHSA-N 1 0 490.591 7.296 50 0 JKAARO O=C(CCN1CC[N@@H+]2CCCC[C@H]2C1)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21 ZINC000100925674 569776088 /nfs/dbraw/zinc/77/60/88/569776088.db2.gz KAVQQYSUMOZNRQ-SFHVURJKSA-N 1 0 461.553 5.395 50 0 biogenic JKAARO COc1cccc([C@@H]2C[N@H+](Cc3ccc(C)cc3)C[C@H]2CN(CC(C)C)C(=O)c2ccc(F)cc2)c1 ZINC000037276297 569782141 /nfs/dbraw/zinc/78/21/41/569782141.db2.gz NWOCSYSKBPMBNH-FIBWVYCGSA-N 1 0 488.647 6.157 50 0 JKAARO COc1ccc(N(C(=O)c2ccc(F)cc2)C2CC[NH+](Cc3cccc(C)c3)CC2)cc1OC ZINC000037280016 569782540 /nfs/dbraw/zinc/78/25/40/569782540.db2.gz ANZSNNRQZDCOFU-UHFFFAOYSA-N 1 0 462.565 5.463 50 0 JKAARO COc1cccc(-c2nc(NCC[NH+]3CCCCC3)nc3nn(-c4ccc(C(C)C)cc4)c(N)c32)c1 ZINC000037360613 569784040 /nfs/dbraw/zinc/78/40/40/569784040.db2.gz MRDRCRBJUQFQHE-UHFFFAOYSA-N 1 0 485.636 5.095 50 0 JKAARO Nc1c2c(nn1-c1ccccc1Cl)nc(NCC[NH+]1CCCCC1)nc2-c1cccc(Cl)c1 ZINC000037361028 569784167 /nfs/dbraw/zinc/78/41/67/569784167.db2.gz VSXBRGUNRZHUCI-UHFFFAOYSA-N 1 0 482.419 5.269 50 0 JKAARO CC(C)c1ccc(-c2nc(NCC[NH+]3CCCCC3)nc3nn(-c4ccc(F)cc4)c(N)c32)cc1 ZINC000037376121 569784382 /nfs/dbraw/zinc/78/43/82/569784382.db2.gz FWCLZUZBUCDGSK-UHFFFAOYSA-N 1 0 473.600 5.225 50 0 JKAARO Cc1ccc(Cn2cc([C@H](CC(=O)NCC[NH+]3CCCC3)C3CCCCC3)c3ccccc32)cc1 ZINC000037381694 569785164 /nfs/dbraw/zinc/78/51/64/569785164.db2.gz XZTWAWXTBUVRDO-MUUNZHRXSA-N 1 0 471.689 6.264 50 0 JKAARO CCC[C@H](C(=O)NCC[NH+]1CCCC1)n1c(Cc2ccc(Cl)cc2Cl)nc2ccccc21 ZINC000037396715 569786516 /nfs/dbraw/zinc/78/65/16/569786516.db2.gz ZXNWCDBLDZOYKR-HSZRJFAPSA-N 1 0 473.448 5.487 50 0 JKAARO CN(C)c1ccc(C2=[NH+]O[C@H](CN(Cc3cccc(C(F)(F)F)c3)C(=O)C3CCC3)C2)cc1 ZINC000037439546 569790598 /nfs/dbraw/zinc/79/05/98/569790598.db2.gz CRZUUNUCKPKAAZ-QFIPXVFZSA-N 1 0 459.512 5.093 50 0 JKAARO CN(C)c1ccc(C2=[NH+]O[C@H](CN(Cc3cccc(C(F)(F)F)c3)C(=O)CC(C)(C)C)C2)cc1 ZINC000037440508 569790807 /nfs/dbraw/zinc/79/08/07/569790807.db2.gz CAYINKPCFQPYEE-QFIPXVFZSA-N 1 0 475.555 5.729 50 0 JKAARO Cc1ccc(C(=O)N(CC(C)C)C[C@H]2C[N@H+](Cc3cccc(C)c3)C[C@@H]2c2ccccc2)cc1 ZINC000037524152 569793015 /nfs/dbraw/zinc/79/30/15/569793015.db2.gz YDYMUUXDTQCDMN-LOYHVIPDSA-N 1 0 454.658 6.317 50 0 JKAARO CC(C)CN(C[C@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2)C[C@@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000037524374 569793141 /nfs/dbraw/zinc/79/31/41/569793141.db2.gz FNPXVOPFENBXQK-RCZVLFRGSA-N 1 0 478.574 6.201 50 0 JKAARO COc1ccc(C[NH+]2CCC(N(C(=O)c3ccc(F)cc3)c3ccc(OC)c(OC)c3)CC2)cc1 ZINC000037560003 569795519 /nfs/dbraw/zinc/79/55/19/569795519.db2.gz GGCFVWGZQDNQBB-UHFFFAOYSA-N 1 0 478.564 5.163 50 0 JKAARO COc1cccc(C[NH+]2CCC(N(c3ccc(C)cc3)S(=O)(=O)c3ccccc3C)CC2)c1 ZINC000037560566 569795593 /nfs/dbraw/zinc/79/55/93/569795593.db2.gz IDMXZJCHACVROX-UHFFFAOYSA-N 1 0 464.631 5.172 50 0 JKAARO COc1cccc(C[NH+]2CCC(N(C(=O)c3cccc(Cl)c3)c3cccc(OC)c3)CC2)c1 ZINC000037570667 569795662 /nfs/dbraw/zinc/79/56/62/569795662.db2.gz BYVQQRXFRBKWMP-UHFFFAOYSA-N 1 0 464.993 5.669 50 0 JKAARO COc1ccc(C[NH+]2CCC(N(c3ccc(C)cc3)S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000037570535 569795684 /nfs/dbraw/zinc/79/56/84/569795684.db2.gz DRLFMERDTURNHX-UHFFFAOYSA-N 1 0 485.049 5.517 50 0 JKAARO COc1ccc(C[NH+]2CCC(N(c3ccc(C)cc3)S(=O)(=O)c3ccc(F)cc3)CC2)cc1 ZINC000037570545 569795801 /nfs/dbraw/zinc/79/58/01/569795801.db2.gz YZOWJVRVYYSMSB-UHFFFAOYSA-N 1 0 468.594 5.003 50 0 JKAARO COc1ccc(N(C2CC[NH+](Cc3cccc(C)c3)CC2)S(=O)(=O)c2ccc(F)cc2)cc1OC ZINC000037570671 569795944 /nfs/dbraw/zinc/79/59/44/569795944.db2.gz BXOSXJKFCFVDBD-UHFFFAOYSA-N 1 0 498.620 5.011 50 0 JKAARO Cc1cccc(C[NH+]2CCC(N(c3ccc(F)cc3)S(=O)(=O)c3ccc(F)cc3)CC2)c1 ZINC000037572257 569795954 /nfs/dbraw/zinc/79/59/54/569795954.db2.gz IBLZXJJSNCVRFO-UHFFFAOYSA-N 1 0 456.558 5.133 50 0 JKAARO CCc1ccc(N(C2CC[NH+](Cc3ccc(OC)cc3)CC2)S(=O)(=O)c2ccccc2)cc1 ZINC000037588148 569796822 /nfs/dbraw/zinc/79/68/22/569796822.db2.gz JXMGDOFYUHUTDA-UHFFFAOYSA-N 1 0 464.631 5.118 50 0 JKAARO COc1ccc(CC(=O)Nc2ccc3[nH+]c4c(c(Nc5ccccc5OC)c3c2)CCCC4)cc1 ZINC000101431836 569797571 /nfs/dbraw/zinc/79/75/71/569797571.db2.gz OVWUIHBHUJIZDD-UHFFFAOYSA-N 1 0 467.569 6.056 50 0 JKAARO FC(F)Oc1ccccc1/C=C1/CCCC2=C1[NH+]=C1N=CNN1[C@H]2c1ccccc1OC(F)F ZINC000038173334 569800063 /nfs/dbraw/zinc/80/00/63/569800063.db2.gz MRZVVBDVUPJFGQ-MQGIHEMASA-N 1 0 472.442 5.670 50 0 JKAARO FC(F)Oc1ccc(/C=C2/CCCC3=C2[NH+]=C2N=CNN2[C@@H]3c2ccc(OC(F)F)cc2)cc1 ZINC000038181327 569800198 /nfs/dbraw/zinc/80/01/98/569800198.db2.gz BLHWFBFPZNZLER-MJGOQDMVSA-N 1 0 472.442 5.670 50 0 JKAARO COc1cccc([C@@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)[NH+]2CCCCC2)c1 ZINC000038545955 569802566 /nfs/dbraw/zinc/80/25/66/569802566.db2.gz RHAIPEUIUMAPQW-DEOSSOPVSA-N 1 0 450.604 6.056 50 0 JKAARO O=C(Nc1sc2c(c1[C@H](c1ccccc1Cl)[NH+]1CCCCC1)CCCC2)c1ccco1 ZINC000038545963 569802630 /nfs/dbraw/zinc/80/26/30/569802630.db2.gz XNTIXUZAXUZYES-QHCPKHFHSA-N 1 0 455.023 6.701 50 0 JKAARO COc1cccc([C@@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)[NH+]2CCCCC2)c1OC ZINC000038546140 569802656 /nfs/dbraw/zinc/80/26/56/569802656.db2.gz ISQSWAFBIBZMKI-DEOSSOPVSA-N 1 0 480.630 6.065 50 0 JKAARO O=C(Nc1sc2c(c1[C@@H](c1ccc(Cl)cc1)[NH+]1CCCCC1)CCCC2)c1ccco1 ZINC000038545959 569802659 /nfs/dbraw/zinc/80/26/59/569802659.db2.gz UNFMOTLWIXLYFR-HSZRJFAPSA-N 1 0 455.023 6.701 50 0 JKAARO CCOc1ccc([C@H](c2c3c(sc2NC(=O)c2ccco2)CCCC3)[NH+]2CCCCC2)cc1 ZINC000038546131 569802667 /nfs/dbraw/zinc/80/26/67/569802667.db2.gz UHAHRTSKWODUTL-RUZDIDTESA-N 1 0 464.631 6.446 50 0 JKAARO Cc1sc(NC(=O)c2cccs2)c([C@H](c2ccc3c(c2)OCO3)[NH+]2CCCCC2)c1C ZINC000038546001 569802702 /nfs/dbraw/zinc/80/27/02/569802702.db2.gz SPSDBNAXFCPGBS-QFIPXVFZSA-N 1 0 454.617 5.983 50 0 JKAARO CSc1ccc([C@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)[NH+]2CCCCC2)cc1 ZINC000038546133 569802704 /nfs/dbraw/zinc/80/27/04/569802704.db2.gz UCZVPGREPQXYFE-XMMPIXPASA-N 1 0 466.672 6.769 50 0 JKAARO COc1ccc([C@@H](c2cc(C)sc2NC(=O)c2ccco2)[NH+]2CCC(C)CC2)cc1OC ZINC000038546264 569802812 /nfs/dbraw/zinc/80/28/12/569802812.db2.gz OHHRNQPNCLSDBB-QHCPKHFHSA-N 1 0 454.592 5.740 50 0 JKAARO COc1ccc([C@@H](c2cc(C)sc2NC(=O)c2ccco2)[NH+]2CCC(C)CC2)c(OC)c1 ZINC000038546266 569802821 /nfs/dbraw/zinc/80/28/21/569802821.db2.gz NRLXTSBJEGEWOX-QHCPKHFHSA-N 1 0 454.592 5.740 50 0 JKAARO CCOc1ccc([C@H](c2c3c(sc2NC(=O)c2ccco2)CCCC3)[NH+]2CCC(C)CC2)cc1 ZINC000038546331 569802996 /nfs/dbraw/zinc/80/29/96/569802996.db2.gz SKRPSYDDOJSVAT-AREMUKBSSA-N 1 0 478.658 6.692 50 0 JKAARO CC1CC[NH+]([C@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)c2cccc(F)c2)CC1 ZINC000038546317 569803002 /nfs/dbraw/zinc/80/30/02/569803002.db2.gz XSJZCASTMUFFML-DEOSSOPVSA-N 1 0 452.595 6.433 50 0 JKAARO COc1ccc([C@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)[NH+]2CCC(C)CC2)c(OC)c1 ZINC000038546335 569803004 /nfs/dbraw/zinc/80/30/04/569803004.db2.gz IFGQRCKWDWMBLM-AREMUKBSSA-N 1 0 494.657 6.311 50 0 JKAARO CCc1cc([C@@H](c2cccc(Cl)c2)N2CC[NH+](CC)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546533 569803241 /nfs/dbraw/zinc/80/32/41/569803241.db2.gz YCDZCSURUZBHPX-JOCHJYFZSA-N 1 0 458.027 5.536 50 0 JKAARO CC[NH+]1CCN([C@@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)c2ccc(C(C)C)cc2)CC1 ZINC000038546597 569803337 /nfs/dbraw/zinc/80/33/37/569803337.db2.gz YEZINPPRPWHBDQ-HHHXNRCGSA-N 1 0 491.701 6.323 50 0 JKAARO CC[NH+]1CCN([C@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)c2ccc(C(C)C)cc2)CC1 ZINC000038546596 569803342 /nfs/dbraw/zinc/80/33/42/569803342.db2.gz YEZINPPRPWHBDQ-MHZLTWQESA-N 1 0 491.701 6.323 50 0 JKAARO CC[NH+]1CCN([C@@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)c2ccc(C)cc2)CC1 ZINC000038546593 569803368 /nfs/dbraw/zinc/80/33/68/569803368.db2.gz OVVMJBQNJBLSID-RUZDIDTESA-N 1 0 463.647 5.508 50 0 JKAARO CC[NH+]1CCN([C@@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)c2ccccc2Cl)CC1 ZINC000038546578 569803392 /nfs/dbraw/zinc/80/33/92/569803392.db2.gz WKVUCSZUUJTYST-XMMPIXPASA-N 1 0 484.065 5.853 50 0 JKAARO CC[NH+]1CCN([C@@H](c2c3c(sc2NC(=O)c2ccco2)CCCC3)c2ccc(OC)cc2)CC1 ZINC000038546568 569803414 /nfs/dbraw/zinc/80/34/14/569803414.db2.gz JDFXRGWFCLTJCO-RUZDIDTESA-N 1 0 479.646 5.208 50 0 JKAARO CC[NH+]1CCN([C@@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)c2ccc(F)cc2)CC1 ZINC000038546580 569803423 /nfs/dbraw/zinc/80/34/23/569803423.db2.gz NXGIGKPOEBWEST-XMMPIXPASA-N 1 0 467.610 5.338 50 0 JKAARO Cc1sc(NC(=O)c2cccs2)c([C@H](c2ccc3c(c2)OCO3)[NH+]2CCC(C)CC2)c1C ZINC000038546715 569803487 /nfs/dbraw/zinc/80/34/87/569803487.db2.gz HWMMERAAQFCDER-QHCPKHFHSA-N 1 0 468.644 6.229 50 0 JKAARO COc1ccccc1[C@@H](c1c(C)c(C)sc1NC(=O)c1cccs1)[NH+]1CCC(C)CC1 ZINC000038546708 569803517 /nfs/dbraw/zinc/80/35/17/569803517.db2.gz JLUSXTPWOUNHGW-QHCPKHFHSA-N 1 0 454.661 6.509 50 0 JKAARO COc1cccc([C@@H](c2c(C)c(C)sc2NC(=O)c2cccs2)[NH+]2CCC(C)CC2)c1OC ZINC000038546717 569803551 /nfs/dbraw/zinc/80/35/51/569803551.db2.gz ISGJZDBKWYYJFX-QHCPKHFHSA-N 1 0 484.687 6.517 50 0 JKAARO CC[NH+]1CCN([C@@H](c2c(C)c(C)sc2NC(=O)c2cccs2)c2ccccc2Cl)CC1 ZINC000038546778 569803721 /nfs/dbraw/zinc/80/37/21/569803721.db2.gz BSCIVNXIPPTHIF-JOCHJYFZSA-N 1 0 474.095 6.059 50 0 JKAARO CC[NH+]1CCN([C@@H](c2c(C)c(C)sc2NC(=O)c2cccs2)c2ccc(OC)cc2)CC1 ZINC000038546768 569803728 /nfs/dbraw/zinc/80/37/28/569803728.db2.gz VUZJOWMUAYCWSO-HSZRJFAPSA-N 1 0 469.676 5.414 50 0 JKAARO CC(C)[NH+](CC[C@@H](c1ccccc1)c1cc(Br)ccc1OCc1ccccc1)C(C)C ZINC000039351521 569809398 /nfs/dbraw/zinc/80/93/98/569809398.db2.gz UCYJWCSOSZIQLQ-SANMLTNESA-N 1 0 480.490 7.669 50 0 JKAARO Cc1[nH]nc(-c2ccc(OCC[NH+]3CCN(c4ccc(F)cc4)CC3)cc2O)c1-c1ccccc1 ZINC000039354656 569809438 /nfs/dbraw/zinc/80/94/38/569809438.db2.gz LWTGENALVTVGIR-UHFFFAOYSA-N 1 0 472.564 5.098 50 0 JKAARO FC(F)(F)c1cccc(OC2=CC[N@H+](CCCN(c3ccccc3)c3ccccc3)CC2)c1 ZINC000039384127 569809619 /nfs/dbraw/zinc/80/96/19/569809619.db2.gz PHTCOIORGTWZOJ-UHFFFAOYSA-N 1 0 452.520 6.902 50 0 JKAARO NC1=[NH+]C[C@H](CS[C@]23CCCC[C@@H]2[C@H](c2ccccc2)C=C(c2ccccc2)S3)S1 ZINC000102647219 569814935 /nfs/dbraw/zinc/81/49/35/569814935.db2.gz JWDPJXKKWLZBTK-FFHOAYQKSA-N 1 0 452.714 6.608 50 0 JKAARO COc1cc(C(=O)Nc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)ccc1OCc1c(C)noc1C ZINC000040119668 569816589 /nfs/dbraw/zinc/81/65/89/569816589.db2.gz GRWFJJLANBITKE-GOSISDBHSA-N 1 0 463.578 5.506 50 0 JKAARO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)CCc3ncc(-c4c(F)cccc4F)o3)cc2)C1 ZINC000040121405 569816790 /nfs/dbraw/zinc/81/67/90/569816790.db2.gz CTPVCHTXIZFAAM-KDURUIRLSA-N 1 0 467.560 5.347 50 0 JKAARO O=C(C[NH2+]C1(c2ccc(Br)cc2)CCOCC1)Nc1ccc(N2CCCCCC2)cc1 ZINC000040155687 569820885 /nfs/dbraw/zinc/82/08/85/569820885.db2.gz PQRBRDLSKQFZFK-UHFFFAOYSA-N 1 0 486.454 5.064 50 0 JKAARO Cc1ccc2nc(-c3ccccc3F)cc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)c2c1 ZINC000040363026 569824157 /nfs/dbraw/zinc/82/41/57/569824157.db2.gz UQGBVFLNGJVDFO-UHFFFAOYSA-N 1 0 453.561 5.744 50 0 JKAARO C[C@@H](C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000103653337 569836938 /nfs/dbraw/zinc/83/69/38/569836938.db2.gz NIIPTCMLCFXJQK-ZCNNSNEGSA-N 1 0 453.030 5.402 50 0 JKAARO Fc1ccc(-c2ccc(OCCC[NH+]3CCN(Cc4ccc(Cl)cc4)CC3)cc2)c(F)c1 ZINC000045068842 569840005 /nfs/dbraw/zinc/84/00/05/569840005.db2.gz YQWNABMEGXRKMO-UHFFFAOYSA-N 1 0 456.964 5.872 50 0 JKAARO O=C(NC1CCCCC1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](Cc3ccccc3)C[C@H]12 ZINC000104920072 569847224 /nfs/dbraw/zinc/84/72/24/569847224.db2.gz BCYNWSGEAWBBGC-UKILVPOCSA-N 1 0 471.567 5.017 50 0 JKAARO CC[C@H](C)NC(=O)c1coc(CN(Cc2ccc(C(F)(F)F)cc2)[C@H](C)c2ccccc2)n1 ZINC000104963892 569847801 /nfs/dbraw/zinc/84/78/01/569847801.db2.gz UKJABPKAMOKQIB-ZWKOTPCHSA-N 1 0 459.512 5.985 50 0 JKAARO CC(C)COC[C@H](O)C[N@@H+](Cc1ccccc1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000104983095 569847961 /nfs/dbraw/zinc/84/79/61/569847961.db2.gz UKEDXPVJNPBQBJ-NHCUHLMSSA-N 1 0 465.421 5.022 50 0 JKAARO O[C@H](COCc1ccccc1)C[N@@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2Cl)=NO1 ZINC000104982864 569848050 /nfs/dbraw/zinc/84/80/50/569848050.db2.gz QHQGHJBLSFZOGI-BJKOFHAPSA-N 1 0 499.438 5.566 50 0 JKAARO CC(C)OC[C@H](O)C[N@@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000104982932 569848066 /nfs/dbraw/zinc/84/80/66/569848066.db2.gz HXMYAUYHMKSGBA-WOJBJXKFSA-N 1 0 485.839 5.428 50 0 JKAARO O=C(NC1CCCC1)C1CC[NH+](Cc2cc3ccccc3n2Cc2cccc(Cl)c2)CC1 ZINC000049535961 569848192 /nfs/dbraw/zinc/84/81/92/569848192.db2.gz KOQNVSMTFMWHJA-UHFFFAOYSA-N 1 0 450.026 5.614 50 0 JKAARO Cc1ccccc1OC[C@H](O)C[N@@H+](Cc1ccccc1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000104983166 569848324 /nfs/dbraw/zinc/84/83/24/569848324.db2.gz OUPYRAFXYKMKCL-DHIUTWEWSA-N 1 0 499.438 5.737 50 0 JKAARO O[C@H](COCc1ccccc1)C[N@@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104984365 569848403 /nfs/dbraw/zinc/84/84/03/569848403.db2.gz DWKHZXSILPDTFP-IZZNHLLZSA-N 1 0 499.438 5.566 50 0 JKAARO O[C@@H](COCc1ccccc1)C[N@@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104984368 569848507 /nfs/dbraw/zinc/84/85/07/569848507.db2.gz DWKHZXSILPDTFP-CLJLJLNGSA-N 1 0 499.438 5.566 50 0 JKAARO Cc1cccc(C[N@H+]2CCc3ccc(O[C@H](C)C(=O)NCC(C)C)cc3[C@H]2c2ccccc2)c1 ZINC000105022460 569851113 /nfs/dbraw/zinc/85/11/13/569851113.db2.gz PETXHXVPZODTIH-RNWIMVQKSA-N 1 0 456.630 5.682 50 0 JKAARO CCOC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)[C@H](C)CC ZINC000105012940 569851244 /nfs/dbraw/zinc/85/12/44/569851244.db2.gz WOBFMMXUQLTEOH-XMSQKQJNSA-N 1 0 473.564 5.249 50 0 JKAARO Cc1cccc(C[N@H+]2CCc3ccc(O[C@H](C)C(=O)NCCC(C)C)cc3[C@@H]2c2ccccc2)c1 ZINC000105023101 569851442 /nfs/dbraw/zinc/85/14/42/569851442.db2.gz AYYONEXDWRYLLW-HLADLETHSA-N 1 0 470.657 6.072 50 0 JKAARO COc1cccc([C@@H]2C[N@H+](Cc3ccc[nH]3)C[C@@H]2CN(CC(C)C)C(=O)c2ccc(F)cc2)c1 ZINC000105041341 569851585 /nfs/dbraw/zinc/85/15/85/569851585.db2.gz XOVCGJQEXIUTHS-KCWPFWIISA-N 1 0 463.597 5.176 50 0 JKAARO Cc1cc(C[N@H+]2C[C@H](CN(CC(C)C)C(=O)c3ccccc3)[C@@H](c3ccc(F)cc3)C2)oc1C ZINC000105042185 569851633 /nfs/dbraw/zinc/85/16/33/569851633.db2.gz FJOVDSHYEBCOSH-LEAFIULHSA-N 1 0 462.609 6.050 50 0 JKAARO Cc1ccccc1[C@H]1C[N@H+](Cc2ccco2)C[C@H]1CN(C(=O)c1ccccc1)C1CCCCC1 ZINC000105042066 569851644 /nfs/dbraw/zinc/85/16/44/569851644.db2.gz ADDHYRFDVZGMRR-SVEHJYQDSA-N 1 0 456.630 6.279 50 0 JKAARO COc1cc(C[N@@H+]2C[C@@H](CN(CC(C)C)C(=O)c3ccccc3)[C@H](c3ccc(F)cc3)C2)ccc1O ZINC000105042194 569851684 /nfs/dbraw/zinc/85/16/84/569851684.db2.gz GVYLDOMJLRWJFL-BDYUSTAISA-N 1 0 490.619 5.554 50 0 JKAARO Cc1ccccc1[C@H]1C[N@H+](Cc2ccsc2)C[C@H]1CN(C(=O)c1ccccc1)C1CCCCC1 ZINC000105041322 569851703 /nfs/dbraw/zinc/85/17/03/569851703.db2.gz XRASHGBJFYUEFB-WNJJXGMVSA-N 1 0 472.698 6.747 50 0 JKAARO COc1cc(C[N@@H+]2C[C@@H](CN(Cc3ccc(F)cc3)C(C)=O)[C@@H](c3ccc(C)cc3)C2)cc(OC)c1 ZINC000105042711 569851813 /nfs/dbraw/zinc/85/18/13/569851813.db2.gz PKLOIWUEXNKRKI-FREGXXQWSA-N 1 0 490.619 5.416 50 0 JKAARO Cc1ccccc1[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2)C[C@H]1CN(C(=O)c1ccccc1)C(C)C ZINC000105042449 569851839 /nfs/dbraw/zinc/85/18/39/569851839.db2.gz XKJBOOBHGDFFRS-LBNVMWSVSA-N 1 0 461.049 6.415 50 0 JKAARO Fc1ccccc1C1=NN2[C@@H](C1)c1ccccc1OC21CC[NH+]([C@H]2CCCc3ccccc32)CC1 ZINC000051329981 569851955 /nfs/dbraw/zinc/85/19/55/569851955.db2.gz FUFWQEOWCIULRS-NSOVKSMOSA-N 1 0 467.588 6.239 50 0 JKAARO O=C(c1ccccc1)[C@H]1C[N@H+](Cc2ccccc2)C[C@@H](C(=O)c2ccccc2)[C@@H]1c1ccccc1 ZINC000140336246 569867362 /nfs/dbraw/zinc/86/73/62/569867362.db2.gz IPWAFJULWVHAIF-BKHFGAQXSA-N 1 0 459.589 6.284 50 0 JKAARO O=[N+]1c2ccccc2N(O)[C@H](CSc2nc3ccccc3[nH]2)[C@H]1CSc1nc2ccccc2[nH]1 ZINC000140787708 569867448 /nfs/dbraw/zinc/86/74/48/569867448.db2.gz RLKVZDXJNCDWMU-FGZHOGPDSA-N 1 0 489.606 5.381 50 0 JKAARO O=[N+]1c2ccccc2N(O)[C@@H](CSc2nc3ccccc3[nH]2)[C@H]1CSc1nc2ccccc2[nH]1 ZINC000140787898 569867456 /nfs/dbraw/zinc/86/74/56/569867456.db2.gz RLKVZDXJNCDWMU-FCHUYYIVSA-N 1 0 489.606 5.381 50 0 JKAARO CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3cc[nH+]c(N)c3N)cc2F)n(-c2ccccc2)n1 ZINC000144436600 569867773 /nfs/dbraw/zinc/86/77/73/569867773.db2.gz XUDIUIFOPPIZFP-UHFFFAOYSA-N 1 0 475.528 5.305 50 0 JKAARO Cc1ccc2nc(-c3ccc(N4C(=O)C[C@H]([N@@H+]5CCC[C@@H]6CCCC[C@@H]65)C4=O)cc3)sc2c1 ZINC000169620582 569868382 /nfs/dbraw/zinc/86/83/82/569868382.db2.gz AAUUMHAFSZYNOZ-TZYHBYERSA-N 1 0 459.615 5.558 50 0 JKAARO C[C@H](NC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](C3CCCC3)C[C@@H]12)c1ccccc1 ZINC000169677759 569868845 /nfs/dbraw/zinc/86/88/45/569868845.db2.gz USZLTFXXAPXIGE-UODBTFMRSA-N 1 0 471.567 5.188 50 0 JKAARO CC[C@H](C)[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C[C@@H](O)COC(C)(C)C ZINC000169677802 569868899 /nfs/dbraw/zinc/86/88/99/569868899.db2.gz KVAVRNVXBLSTPT-WIOPSUGQSA-N 1 0 479.665 6.058 50 0 JKAARO O[C@@H](COCc1ccco1)C[N@@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000169677847 569869068 /nfs/dbraw/zinc/86/90/68/569869068.db2.gz JFRHLXCIJCHXCV-VWNXMTODSA-N 1 0 489.399 5.159 50 0 JKAARO CC[C@H](C)[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)C[C@@H](O)COC(C)C ZINC000169678890 569869240 /nfs/dbraw/zinc/86/92/40/569869240.db2.gz STHXDYSJWCCWGU-XUZZJYLKSA-N 1 0 451.611 5.359 50 0 JKAARO CC[C@H](C)[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@@H](O)COC(C)C ZINC000169678921 569869423 /nfs/dbraw/zinc/86/94/23/569869423.db2.gz KQYJAQZLNOMSBI-JTHBVZDNSA-N 1 0 451.611 5.266 50 0 JKAARO CC[C@H](C)[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@@H](O)COC(C)(C)C ZINC000169679086 569869482 /nfs/dbraw/zinc/86/94/82/569869482.db2.gz PDZJRYUJRMHQMZ-WIOPSUGQSA-N 1 0 479.665 6.058 50 0 JKAARO COc1cccc(C[N@@H+]2C[C@@H](CN(C(=O)c3ccccc3)C3CCCCC3)[C@@H](c3ccccc3C)C2)c1 ZINC000169679815 569869964 /nfs/dbraw/zinc/86/99/64/569869964.db2.gz BBKBBTKIUNGKKV-IUDBTDONSA-N 1 0 496.695 6.694 50 0 JKAARO CC[C@H](C)[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)C[C@@H](O)COCC(C)C ZINC000169680018 569870074 /nfs/dbraw/zinc/87/00/74/569870074.db2.gz WTKFVCJZKFJSMO-UKILVPOCSA-N 1 0 479.665 5.822 50 0 JKAARO CCOC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)[C@@H](C)CC ZINC000169680305 569870389 /nfs/dbraw/zinc/87/03/89/569870389.db2.gz WOBFMMXUQLTEOH-PGRDOPGGSA-N 1 0 473.564 5.249 50 0 JKAARO CC[C@@H](C)[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@@H](O)COC(C)(C)C ZINC000169680370 569870517 /nfs/dbraw/zinc/87/05/17/569870517.db2.gz LFNPGAZHABVBTM-HYBUGGRVSA-N 1 0 483.628 5.889 50 0 JKAARO CC[C@@H](C)[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C[C@@H](O)COCC(C)C ZINC000169680608 569870586 /nfs/dbraw/zinc/87/05/86/569870586.db2.gz PNSFRKJRAJXYBE-RCZVLFRGSA-N 1 0 495.664 5.616 50 0 JKAARO CC[C@@H](C)[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C[C@@H](O)COC(C)C ZINC000169680959 569870750 /nfs/dbraw/zinc/87/07/50/569870750.db2.gz IXTRLJCWBXASNP-ZJSXRUAMSA-N 1 0 481.637 5.368 50 0 JKAARO O=C(NCc1ccccc1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@@H]12 ZINC000169681936 569870925 /nfs/dbraw/zinc/87/09/25/569870925.db2.gz XRYZNNMREQSSSX-AHWVRZQESA-N 1 0 497.536 5.024 50 0 JKAARO CC[C@@H](C)[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)C[C@@H](O)Cc1ccccc1 ZINC000169681987 569871012 /nfs/dbraw/zinc/87/10/12/569871012.db2.gz CJHGTQUQRFRYBS-BVAGGSTKSA-N 1 0 499.655 6.092 50 0 JKAARO O=C(NCCc1ccccc1)[C@H]1[C@@H](c2ccc(Cl)cc2)[C@@H](C(=O)c2ccccc2)[C@@H]2C=CC=CN12 ZINC000226872348 570039112 /nfs/dbraw/zinc/03/91/12/570039112.db2.gz UXDMYZYPIWJCGG-LAJGZZDBSA-N 1 0 483.011 5.418 50 0 JKAARO CCCC[N@H+](CC)CCCNC(=O)[C@H]1c2ccccc2C(=O)N(CC(C)C)[C@H]1c1cccs1 ZINC000230076846 570044521 /nfs/dbraw/zinc/04/45/21/570044521.db2.gz RNJNAOFPFSUPLH-DQEYMECFSA-N 1 0 469.695 5.313 50 0 JKAARO COc1cccc(C[N@H+]2C[C@@H](c3ccccc3)[C@@H](CN(CC(C)C)C(=O)c3ccc(C)cc3)C2)c1 ZINC000230127032 570045261 /nfs/dbraw/zinc/04/52/61/570045261.db2.gz LLKDNABYKWXPPT-DGPALRBDSA-N 1 0 470.657 6.018 50 0 JKAARO Cc1ccccc1[C@@H]1C[N@H+](Cc2cccn2C)C[C@H]1CN(C(=O)c1ccc(F)cc1)C1CCCCC1 ZINC000230155434 570045949 /nfs/dbraw/zinc/04/59/49/570045949.db2.gz OCPPNMIEVSNRMK-SETSBSEESA-N 1 0 487.663 6.163 50 0 JKAARO 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50 0 JKAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1 ZINC000245228599 570055684 /nfs/dbraw/zinc/05/56/84/570055684.db2.gz VVZIVQNXIXNZMG-VANUSSGQSA-N 1 0 479.690 5.352 50 0 JKAARO CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCCC[NH+]2[C@H](C)CCC[C@H]2C)[C@H]1c1cccs1 ZINC000245228596 570055699 /nfs/dbraw/zinc/05/56/99/570055699.db2.gz VNPJLIZEBJPZKS-YTFNCPKPSA-N 1 0 481.706 5.454 50 0 JKAARO COc1ccc(-c2csc(N3[NH2+]C4=C(C[C@@H](c5ccccc5)CC4)[C@]3(O)C(F)(F)F)n2)cc1 ZINC000245245756 570059077 /nfs/dbraw/zinc/05/90/77/570059077.db2.gz PMPAMSURRMCKHB-LTMIRXACSA-N 1 0 473.520 5.830 50 0 JKAARO Fc1ccccc1C1=NN2[C@H](C1)c1ccccc1OC21CC[NH+]([C@H]2CCCc3ccccc32)CC1 ZINC000245255123 570059840 /nfs/dbraw/zinc/05/98/40/570059840.db2.gz FUFWQEOWCIULRS-WUFINQPMSA-N 1 0 467.588 6.239 50 0 JKAARO CCCCOC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@H]1CCCO1 ZINC000245281370 570062251 /nfs/dbraw/zinc/06/22/51/570062251.db2.gz XVVNDFYJXMSHCX-AOYPEHQESA-N 1 0 493.648 5.038 50 0 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CCCC[C@H](CC)C(=O)N1CCN(C(=O)CC[N@@H+]2CCc3sccc3[C@H]2c2ccccc2)C[C@H]1C ZINC000245329614 570066337 /nfs/dbraw/zinc/06/63/37/570066337.db2.gz UCTSYTFDLKIFMS-AWVRMFGXSA-N 1 0 495.733 5.361 50 0 JKAARO CCc1cccc2c([C@H](CC(=O)NCCC[N@@H+]3CCCC[C@H]3C)c3ccc(Cl)cc3)c[nH]c21 ZINC000245330054 570066619 /nfs/dbraw/zinc/06/66/19/570066619.db2.gz WUIGXMGIOVTSLX-CJFMBICVSA-N 1 0 466.069 6.286 50 0 JKAARO CC(C)N(C[C@@H]1C[N@H+](Cc2ccsc2)C[C@H]1c1ccc(F)cc1)C(=O)c1ccc(F)cc1 ZINC000247963556 570071632 /nfs/dbraw/zinc/07/16/32/570071632.db2.gz ASIUWBFGNSGBDU-DHLKQENFSA-N 1 0 454.586 5.793 50 0 JKAARO CCc1cccc2c([C@H](CC(=O)NCCC[N@@H+]3CCCC[C@H]3C)c3ccc(OC)c(OC)c3)c[nH]c21 ZINC000248070566 570073436 /nfs/dbraw/zinc/07/34/36/570073436.db2.gz GCVLDSBKQNGWON-PXDATVDWSA-N 1 0 491.676 5.650 50 0 JKAARO Cc1ccccc1[C@@H]1C[N@@H+](Cc2ccsc2)C[C@H]1CN(C(=O)c1ccc(F)cc1)C(C)C ZINC000248070318 570073456 /nfs/dbraw/zinc/07/34/56/570073456.db2.gz GNVVTOXVDBBFOC-JYFHCDHNSA-N 1 0 450.623 5.962 50 0 JKAARO CCCC[C@H](CC)C(=O)N1CCN(C(=O)CN2CCc3sccc3[C@H]2c2ccc(C)cc2)C[C@H]1C ZINC000248111526 570074107 /nfs/dbraw/zinc/07/41/07/570074107.db2.gz SNTWMDCMYSZVNZ-AWVRMFGXSA-N 1 0 495.733 5.280 50 0 JKAARO Cc1ccccc1[C@@H]1C[N@H+](Cc2ccccc2F)C[C@H]1CN(C(=O)c1ccccc1)C1CCCCC1 ZINC000248118615 570074430 /nfs/dbraw/zinc/07/44/30/570074430.db2.gz WKPVCXXRLAMWQM-BHBYDHKZSA-N 1 0 484.659 6.825 50 0 JKAARO COCCN(C[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2)C[C@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000248144588 570075279 /nfs/dbraw/zinc/07/52/79/570075279.db2.gz DHAGJVWJCBQOKF-URXFXBBRSA-N 1 0 480.546 5.191 50 0 JKAARO CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCCC[N@@H+]2CCCC[C@H]2C)[C@@H]1c1cccs1 ZINC000248210984 570076332 /nfs/dbraw/zinc/07/63/32/570076332.db2.gz DHCHYCBEEYGKTM-YNJKOYDBSA-N 1 0 467.679 5.066 50 0 JKAARO CC(C)CN(C[C@H]1C[N@H+](Cc2ccc(Cl)cc2)C[C@H]1c1ccccc1)C(=O)c1ccccc1F ZINC000248262885 570077026 /nfs/dbraw/zinc/07/70/26/570077026.db2.gz WUTABGFAVRNUOA-SQHAQQRYSA-N 1 0 479.039 6.493 50 0 JKAARO CN(C(=O)c1ccc(Cl)cc1)[C@H]1CC[C@H](c2ccc(C[N@H+](C)Cc3ccccc3)cc2)CC1 ZINC000252486102 570081812 /nfs/dbraw/zinc/08/18/12/570081812.db2.gz FPILGNDXDJGPGG-FCMXBYMOSA-N 1 0 461.049 6.770 50 0 JKAARO CC(=O)N(CC(C)C)C[C@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2)C[C@H]1c1ccc(F)cc1 ZINC000253388920 570095468 /nfs/dbraw/zinc/09/54/68/570095468.db2.gz JXIPSSVBZUTZCA-QPPBQGQZSA-N 1 0 450.520 5.565 50 0 JKAARO C[NH+](C)CCN(Cc1ccccc1)C(=O)c1cc(-c2ccc(F)cc2)n2nc(C(C)(C)C)cc2n1 ZINC000253476145 570099564 /nfs/dbraw/zinc/09/95/64/570099564.db2.gz GMFHHCFJJZWFBW-UHFFFAOYSA-N 1 0 473.596 5.037 50 0 in-vitro JKAARO C[C@@H]1C[C@H](C)C[N@@H+](CCC(=O)O[C@H]2CC[C@@H]3[C@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@@H]4CC[C@@]32C)C1 ZINC000253487985 570099988 /nfs/dbraw/zinc/09/99/88/570099988.db2.gz UZYZRISMGTUDCJ-DQZXBYTASA-N 1 0 457.699 5.878 50 0 JKAARO CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]5[C@H](C)[C@@]6(CC[C@@H](C)C[NH2+]6)O[C@H]5C[C@H]4[C@@H]3CC[C@H]2C1 ZINC000253498667 570100613 /nfs/dbraw/zinc/10/06/13/570100613.db2.gz JOQMJOQWYFDNSH-AKYKRUBPSA-N 1 0 457.699 5.938 50 0 biogenic JKAARO CC(=O)[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 ZINC000253499175 570100903 /nfs/dbraw/zinc/10/09/03/570100903.db2.gz CYXPZJSOSYXEMC-MUDWTVPXSA-N 1 0 455.683 5.942 50 0 biogenic JKAARO CC(=O)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)CC[N@@H+]5CCCC(C)(C)C5)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000253612733 570104839 /nfs/dbraw/zinc/10/48/39/570104839.db2.gz IQWDZXKZGAIZNS-AHOPAHISSA-N 1 0 483.737 6.578 50 0 JKAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)C(C)(C)Oc1ccc([C@H]2CC2(Cl)Cl)cc1 ZINC000263585392 570171063 /nfs/dbraw/zinc/17/10/63/570171063.db2.gz IBRXKDKGUCRTJW-MDNUFGMLSA-N 1 0 497.507 5.245 50 0 biogenic JKAARO COc1ccc(-c2nc3cc(SC)ccc3cc2C[NH2+]C[C@H]2COc3ccccc3O2)cc1 ZINC000299797144 570177435 /nfs/dbraw/zinc/17/74/35/570177435.db2.gz RNEOIVBURVULBS-QFIPXVFZSA-N 1 0 458.583 5.562 50 0 JKAARO O=C(c1c2ccc(O)cc2sc1-c1ccc(O)cc1)c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000000538275 193858014 /nfs/dbraw/zinc/85/80/14/193858014.db2.gz GZUITABIAKMVPG-UHFFFAOYSA-N 1 0 473.594 6.075 50 0 aggregator,fda JKAARO CC[NH+](CC)CCn1c2ccccc2nc1NCc1nc2ccccc2n1Cc1ccccc1 ZINC000001063536 194013093 /nfs/dbraw/zinc/01/30/93/194013093.db2.gz AWZHEICVGLZJBJ-UHFFFAOYSA-N 1 0 452.606 5.388 50 0 JKAARO CCOc1ccc(N2C(=O)C3=C(C(c4ccc(Cl)cc4)=[NH+]CCN3)[C@@H]2c2cccc(F)c2)cc1 ZINC000001404941 194115654 /nfs/dbraw/zinc/11/56/54/194115654.db2.gz GODYSTRULYQSIG-SANMLTNESA-N 1 0 475.951 5.312 50 0 JKAARO CCOc1ccc(N2C(=O)C3=C(C(c4ccc(Cl)cc4)=[NH+]CCN3)[C@H]2c2cccc(F)c2)cc1 ZINC000001404945 194115687 /nfs/dbraw/zinc/11/56/87/194115687.db2.gz GODYSTRULYQSIG-AREMUKBSSA-N 1 0 475.951 5.312 50 0 JKAARO Fc1ccc(-n2cc(CCCC[NH+]3CCC4(CC3)OCc3ccccc34)c3ccccc32)cc1 ZINC000001533883 194127580 /nfs/dbraw/zinc/12/75/80/194127580.db2.gz XWAONOGAGZNUSF-UHFFFAOYSA-N 1 0 454.589 6.614 50 0 investigational JKAARO COc1ccc([C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)cc1COc1ccccc1C1CCCCC1 ZINC000001789948 194140974 /nfs/dbraw/zinc/14/09/74/194140974.db2.gz FIQQLJZRRJZKJB-PMERELPUSA-N 1 0 466.625 7.038 50 0 biogenic,in-vitro JKAARO Cc1c2cc(O)ccc2n(Cc2ccc(OCC[NH+]3CCCCCC3)cc2)c1-c1ccc(O)cc1 ZINC000001895505 194153657 /nfs/dbraw/zinc/15/36/57/194153657.db2.gz UCJGJABZCDBEDK-UHFFFAOYSA-N 1 0 470.613 6.331 50 0 fda JKAARO Cc1ccc(NC(=O)C2CC[NH+](Cc3cnn(-c4ccccc4)c3-n3cccc3)CC2)cc1Cl ZINC000002960440 194181302 /nfs/dbraw/zinc/18/13/02/194181302.db2.gz WIAQKEHRYISYJJ-UHFFFAOYSA-N 1 0 474.008 5.476 50 0 JKAARO Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCC[NH+]2CCC(C)CC2)cc1Cl ZINC000002971946 194189131 /nfs/dbraw/zinc/18/91/31/194189131.db2.gz DNTDOLYFQCGBGS-UHFFFAOYSA-N 1 0 499.080 5.211 50 0 JKAARO CCOc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3N[C@@H](C)CCC[NH+](CC)CC)cc1 ZINC000002974791 194190406 /nfs/dbraw/zinc/19/04/06/194190406.db2.gz ULACZIVLMCFDNS-QFIPXVFZSA-N 1 0 471.649 6.409 50 0 JKAARO CC[NH+](CC)CCCN(Cc1c[nH]c2ccccc12)C(=S)Nc1ccc(Cl)cc1OC ZINC000003029505 194212404 /nfs/dbraw/zinc/21/24/04/194212404.db2.gz IZJXUMXANVOUKK-UHFFFAOYSA-N 1 0 459.059 5.761 50 0 JKAARO CC[NH+](CC)CCCN(Cc1c[nH]c2ccccc12)C(=S)Nc1cc(Cl)ccc1OC ZINC000003029504 194212479 /nfs/dbraw/zinc/21/24/79/194212479.db2.gz MNNYZOBIXWNJNK-UHFFFAOYSA-N 1 0 459.059 5.761 50 0 JKAARO CCCC[N@H+](CC)CCCNC(=O)c1cc(Sc2ccc(Cl)cc2)nc2ccccc21 ZINC000003039994 194214980 /nfs/dbraw/zinc/21/49/80/194214980.db2.gz MLUGDYABHZNFLA-UHFFFAOYSA-N 1 0 456.055 6.281 50 0 JKAARO CSc1cccc(Nc2cc(C(=O)NCCC[N@H+](Cc3ccccc3)C(C)C)c3ccccc3n2)c1 ZINC000003056828 194221276 /nfs/dbraw/zinc/22/12/76/194221276.db2.gz OQROMGKCEQBNBG-UHFFFAOYSA-N 1 0 498.696 6.731 50 0 JKAARO Cc1ccccc1CN1c2ccccc2S/C(=C/c2ccc(C(=O)NCC[NH+]3CCCC3)cc2)C1=O ZINC000003063802 194222939 /nfs/dbraw/zinc/22/29/39/194222939.db2.gz AHWNHLWJXMMYSR-VFCFBJKWSA-N 1 0 497.664 5.501 50 0 JKAARO CC[NH+](CC)CCNC(=O)c1ccc2c(c1)N(Cc1ccccc1Cl)C(=O)c1ccccc1S2 ZINC000003049657 194218588 /nfs/dbraw/zinc/21/85/88/194218588.db2.gz QTBYXCIQDGFWPP-UHFFFAOYSA-N 1 0 494.060 5.723 50 0 JKAARO COc1cc2c(cc1OCc1ccccc1)C(CCc1cc(OC)c(OC)c(OC)c1)=[N+](C)[C@@H](C)C2 ZINC000003124382 194228837 /nfs/dbraw/zinc/22/88/37/194228837.db2.gz OSGLLSDJLUJWOS-FQEVSTJZSA-N 1 0 490.620 5.309 50 0 JKAARO CCOC(=O)c1c2cc(OC[C@H](O)C[N@H+](C)Cc3ccccc3)ccc2oc1-c1ccccc1 ZINC000003253318 194252442 /nfs/dbraw/zinc/25/24/42/194252442.db2.gz XBSCYUWQHSORRO-JOCHJYFZSA-N 1 0 459.542 5.148 50 0 JKAARO COc1ccc(S(=O)(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)cc1Br ZINC000003441911 194325709 /nfs/dbraw/zinc/32/57/09/194325709.db2.gz CDFOHXPKEUWJHE-UHFFFAOYSA-N 1 0 467.429 5.023 50 0 JKAARO CN1c2cc(C(=O)N3CC[NH+](C4CCCCC4)CC3)ccc2S/C(=C/c2ccccc2Cl)C1=O ZINC000003589122 194339787 /nfs/dbraw/zinc/33/97/87/194339787.db2.gz OFEXKYHOXBWWKJ-XIEYBQDHSA-N 1 0 496.076 5.540 50 0 JKAARO COc1ccccc1Nc1c2cc(NC(=O)/C=C/c3ccc(C)cc3)ccc2[nH+]c2c1CCCC2 ZINC000003646206 194348603 /nfs/dbraw/zinc/34/86/03/194348603.db2.gz MQCVIBZXQUQMTJ-OBGWFSINSA-N 1 0 463.581 6.826 50 0 JKAARO COc1ccc(Nc2c3cc(NC(=O)/C=C/c4ccc(C)cc4)ccc3[nH+]c3c2CCCC3)cc1OC ZINC000003646081 194348621 /nfs/dbraw/zinc/34/86/21/194348621.db2.gz RLORRRCURHWGKH-SFQUDFHCSA-N 1 0 493.607 6.835 50 0 JKAARO Cc1cc(N2CCN(c3nc(N4CCc5ccccc5C4)nc4ccccc43)CC2)c2ccccc2[nH+]1 ZINC000003672765 194358992 /nfs/dbraw/zinc/35/89/92/194358992.db2.gz NFPCNJCGNALBBA-UHFFFAOYSA-N 1 0 486.623 5.376 50 0 JKAARO COc1ccc(C2=C(C[NH+]3CCCCC3)[C@H](Cc3ccccc3)c3ccccc3O2)cc1OC ZINC000003771945 194361430 /nfs/dbraw/zinc/36/14/30/194361430.db2.gz YNBXELIPHXQOHQ-RUZDIDTESA-N 1 0 455.598 6.320 50 0 JKAARO CCc1ccc(-c2nc(C[NH+]3CCC(C(=O)NCCN(CC)c4ccccc4)CC3)c(C)o2)cc1 ZINC000004057299 194373129 /nfs/dbraw/zinc/37/31/29/194373129.db2.gz YOTKGXVAXWZDGD-UHFFFAOYSA-N 1 0 474.649 5.067 50 0 JKAARO CCCCCc1ccc(OCCCC[n+]2ccc3c(c2)ncn3Cc2ccccc2)c(CCCCC)c1 ZINC000004552135 194391918 /nfs/dbraw/zinc/39/19/18/194391918.db2.gz AIMJUEOSJLWMGQ-UHFFFAOYSA-N 1 0 498.735 7.697 50 0 JKAARO CC[NH+](CC)C[C@H](C)CNC(=O)c1cc(-c2ccc(Br)s2)nc2ccccc21 ZINC000008591678 194460743 /nfs/dbraw/zinc/46/07/43/194460743.db2.gz FRPVPBSHRHWVRG-OAHLLOKOSA-N 1 0 460.441 5.434 50 0 JKAARO CN1c2ccc3ccccc3c2C(C)(C)/C1=C/C=C/C=C/C1=[N+](C)c2ccc3ccccc3c2C1(C)C ZINC000008818248 194482314 /nfs/dbraw/zinc/48/23/14/194482314.db2.gz ZBKIEXOQKDKCAE-UHFFFAOYSA-N 1 0 483.679 8.423 50 0 JKAARO Brc1ccc(C2=NN3[C@@H](C2)c2ccccc2OC32CC[NH+](Cc3ccccc3)CC2)s1 ZINC000009358384 194712391 /nfs/dbraw/zinc/71/23/91/194712391.db2.gz WBFRZEVLFIKYAJ-NRFANRHFSA-N 1 0 494.458 6.046 50 0 JKAARO COc1ccc(CC[NH2+]CC[C@@H](Cc2ccccc2Cl)[C@H]2CCOC(C)(C)C2)cc1OC ZINC000009410366 194756104 /nfs/dbraw/zinc/75/61/04/194756104.db2.gz IOHBCDZCJJMTLK-GMAHTHKFSA-N 1 0 460.058 5.944 50 0 JKAARO CCCC[N@H+](CCNC(=O)c1cc2c(s1)-c1ccc(Cl)cc1SC2)Cc1ccco1 ZINC000009407785 194749348 /nfs/dbraw/zinc/74/93/48/194749348.db2.gz PIVXYTFVFGTBAU-UHFFFAOYSA-N 1 0 461.052 6.299 50 0 JKAARO Cc1c(C[NH2+]CC2CC[NH+](Cc3ccc(C)cc3)CC2)c(C(=O)[O-])c(C)n1Cc1ccccc1F ZINC000009746627 194940040 /nfs/dbraw/zinc/94/00/40/194940040.db2.gz DLPWNFFHKXHFRB-UHFFFAOYSA-N 1 0 477.624 5.301 50 0 JKAARO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(-c4nnc(-c5ccc(C)cc5)o4)cc3)cc2)CC1 ZINC000009782421 194961476 /nfs/dbraw/zinc/96/14/76/194961476.db2.gz YMHYESXFHQPIIH-UHFFFAOYSA-N 1 0 467.573 5.106 50 0 JKAARO CCOc1ccc(CC[NH2+]C[C@H]2[C@H](Oc3ccc(Cl)cc3)C(=O)N2c2ccccc2C)cc1 ZINC000009835485 194986578 /nfs/dbraw/zinc/98/65/78/194986578.db2.gz NIVZDCGLAFIDKE-UIOOFZCWSA-N 1 0 464.993 5.042 50 0 JKAARO Cc1cccc2c1-c1sc(C(=O)NCCC[NH+]3CCC(Cc4ccccc4)CC3)cc1CO2 ZINC000009857734 194998338 /nfs/dbraw/zinc/99/83/38/194998338.db2.gz DPZGOUJWDWYAHW-UHFFFAOYSA-N 1 0 460.643 5.691 50 0 JKAARO COc1cc(C[N@@H+]2CCC[C@@H](C(=O)N3CCc4ccccc4C3)C2)ccc1OCc1ccccc1 ZINC000009933458 195025288 /nfs/dbraw/zinc/02/52/88/195025288.db2.gz HFDOZWGTNPWQKV-HHHXNRCGSA-N 1 0 470.613 5.071 50 0 JKAARO CCn1c(C[NH+]2CCCCCC2)nc2cc(NC(=O)COc3ccccc3C(C)(C)C)ccc21 ZINC000009942149 195029655 /nfs/dbraw/zinc/02/96/55/195029655.db2.gz XBLVBFJFGXFMBQ-UHFFFAOYSA-N 1 0 462.638 5.747 50 0 JKAARO CCCn1c(C[NH+]2CCCCCC2)nc2cc(NC(=O)COc3ccc(Cl)c(C)c3)ccc21 ZINC000009942514 195030153 /nfs/dbraw/zinc/03/01/53/195030153.db2.gz NZLADBLCIBWYHP-UHFFFAOYSA-N 1 0 469.029 5.802 50 0 JKAARO CC(C)n1c(C[NH+]2CCCCCC2)nc2cc(NC(=O)c3cccc(Br)c3)ccc21 ZINC000009959491 195038124 /nfs/dbraw/zinc/03/81/24/195038124.db2.gz XFHRWTGVEPKMNO-UHFFFAOYSA-N 1 0 469.427 6.008 50 0 JKAARO CC[NH+]1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2sc3cc(Cl)ccc3c2Cl)CC1 ZINC000009934594 195027330 /nfs/dbraw/zinc/02/73/30/195027330.db2.gz WNCUNXZCWCZDTO-UHFFFAOYSA-N 1 0 492.428 5.389 50 0 JKAARO CC[NH+]1CCN(c2ccc(NC(=O)CSc3ncnc4scc(-c5ccccc5)c43)cc2)CC1 ZINC000012608390 195052766 /nfs/dbraw/zinc/05/27/66/195052766.db2.gz QQMAGZOEURRFCQ-UHFFFAOYSA-N 1 0 489.670 5.231 50 0 JKAARO CC[NH+](CC)CCCn1c(=O)c2ccccc2nc1S[C@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000012774191 195119564 /nfs/dbraw/zinc/11/95/64/195119564.db2.gz IZLGGPTVJQQJTJ-MRXNPFEDSA-N 1 0 491.032 5.040 50 0 JKAARO COc1ccc([C@H](CNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2OC)[NH+]2CCCC2)cc1 ZINC000012803023 195140358 /nfs/dbraw/zinc/14/03/58/195140358.db2.gz SBXMVBRRKRJOQT-MHZLTWQESA-N 1 0 496.611 5.123 50 0 JKAARO O=C1c2ccccc2/C(=C\NC[C@H](c2ccco2)[NH+]2CCCCCC2)C(=O)N1c1cccc(Cl)c1 ZINC000020675760 195200387 /nfs/dbraw/zinc/20/03/87/195200387.db2.gz IHXTVRAGZVAEAN-GBOLQPHISA-N 1 0 490.003 5.668 50 0 JKAARO CCn1cc(CN(CCC[NH+](CC)CC)C(=S)Nc2ccc(OC)cc2)c2ccccc21 ZINC000020676661 195201591 /nfs/dbraw/zinc/20/15/91/195201591.db2.gz PCXZREXUHDVERL-UHFFFAOYSA-N 1 0 452.668 5.601 50 0 JKAARO CCOc1ccc(-c2cc(C(=O)NCCC[NH+](CC(C)C)CC(C)C)c3ccccc3n2)cc1 ZINC000020682291 195204424 /nfs/dbraw/zinc/20/44/24/195204424.db2.gz UOZSHEDQTYAGRG-UHFFFAOYSA-N 1 0 461.650 6.034 50 0 JKAARO CC1CC[NH+](CCCNC(=O)c2ccc(Cl)c(NC(=O)Nc3ccc(Cl)c(Cl)c3)c2)CC1 ZINC000020686196 195205313 /nfs/dbraw/zinc/20/53/13/195205313.db2.gz UYLJOFWKSVXMBU-UHFFFAOYSA-N 1 0 497.854 6.143 50 0 JKAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2cc(Sc3cccc(Cl)c3)nc3ccccc32)C1 ZINC000020724432 195206868 /nfs/dbraw/zinc/20/68/68/195206868.db2.gz CKHBGZSTFDPBFD-RTBURBONSA-N 1 0 468.066 6.137 50 0 JKAARO CC1=Nc2cc(C(=O)NCCC[NH+](CC(C)C)CC(C)C)ccc2Sc2ccc(Cl)cc21 ZINC000020726977 195208259 /nfs/dbraw/zinc/20/82/59/195208259.db2.gz IIRJIRKMJJINOZ-UHFFFAOYSA-N 1 0 472.098 6.679 50 0 JKAARO Cc1cccc(NC(=O)N(CCC[NH+]2CCCC2)Cc2cccn2Cc2ccc(Cl)cc2)c1C ZINC000020733495 195211446 /nfs/dbraw/zinc/21/14/46/195211446.db2.gz CMBRXTGCZZBWNC-UHFFFAOYSA-N 1 0 479.068 6.327 50 0 JKAARO CCCC[NH+](CCCC)CCNC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1cccc(Cl)c1)S2 ZINC000020734986 195212094 /nfs/dbraw/zinc/21/20/94/195212094.db2.gz AFDLQLNTLBHCBD-JJIBRWJFSA-N 1 0 486.081 6.057 50 0 JKAARO CCCC[NH+](CCCC)CCNC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1ccccc1F)S2 ZINC000020734533 195212127 /nfs/dbraw/zinc/21/21/27/195212127.db2.gz FHIKUUUWBWZHAO-HKOYGPOVSA-N 1 0 469.626 5.543 50 0 JKAARO Cc1cccc(/C=C2/Sc3ccc(C(=O)NC4CC[NH+](Cc5ccccc5)CC4)cc3N(C)C2=O)c1 ZINC000020734501 195212154 /nfs/dbraw/zinc/21/21/54/195212154.db2.gz AFWYZWNPUKPJHY-MTDXEUNCSA-N 1 0 497.664 5.499 50 0 JKAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccc3c(c2)NC(=O)/C(=C\c2cccc(Cl)c2)S3)C1 ZINC000020735027 195212172 /nfs/dbraw/zinc/21/21/72/195212172.db2.gz PMWMSIDSJXMRIK-IKJQNQTJSA-N 1 0 484.065 5.523 50 0 JKAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccc3c(c2)NC(=O)/C(=C\c2ccccc2Cl)S3)C1 ZINC000020735093 195212445 /nfs/dbraw/zinc/21/24/45/195212445.db2.gz MMAZGKGRPUFQTE-AGDBUHOPSA-N 1 0 484.065 5.523 50 0 JKAARO Cc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@@H](O)C[NH2+]CCc1ccccc1 ZINC000020806222 195228682 /nfs/dbraw/zinc/22/86/82/195228682.db2.gz UYDZUIFXHKWQKW-NDEPHWFRSA-N 1 0 460.621 6.477 50 0 JKAARO CCOc1ccc(N(C)c2ccc(/C=C/C3=[N+](C)c4ccc(C(=O)OC)cc4C3(C)C)cc2)cc1 ZINC000020807443 195228686 /nfs/dbraw/zinc/22/86/86/195228686.db2.gz WFQBYFQCJPHJOY-UHFFFAOYSA-N 1 0 469.605 6.359 50 0 JKAARO Cc1cccc(/C=C2\Sc3ccc(C(=O)N4CCC([NH+]5CCCCC5)CC4)cc3N(C)C2=O)c1 ZINC000020737004 195213300 /nfs/dbraw/zinc/21/33/00/195213300.db2.gz BODOTPYEWJTJJD-ITYLOYPMSA-N 1 0 475.658 5.195 50 0 JKAARO COc1ccccc1Oc1coc2c(ccc3c2CN(C[C@@H]2CCC[N@@H+]4CCCC[C@H]24)CO3)c1=O ZINC000020763427 195219585 /nfs/dbraw/zinc/21/95/85/195219585.db2.gz GWPIUSSYLMFOLM-SIKLNZKXSA-N 1 0 476.573 5.010 50 0 biogenic JKAARO Cc1ccccc1-c1cnc(-c2ccncc2)nc1[C@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000020784033 195224824 /nfs/dbraw/zinc/22/48/24/195224824.db2.gz JMGNWAWVAOAAEZ-QFIPXVFZSA-N 1 0 456.540 6.172 50 0 JKAARO CCn1c(C[NH+]2CCCCCC2)nc2cc(NC(=O)COc3cc(C)ccc3C(C)C)ccc21 ZINC000020894693 195238940 /nfs/dbraw/zinc/23/89/40/195238940.db2.gz LQHRDMPAUGZCRH-UHFFFAOYSA-N 1 0 462.638 5.882 50 0 JKAARO CCCC[N@H+](CC)CCCNC(=O)[C@@H]1c2ccccc2C(=O)N(CC(C)C)[C@@H]1c1cccs1 ZINC000020904343 195244236 /nfs/dbraw/zinc/24/42/36/195244236.db2.gz RNJNAOFPFSUPLH-JWQCQUIFSA-N 1 0 469.695 5.313 50 0 JKAARO Cc1oc(-c2ccc(C(=O)N3CCC([NH+]4CCCCC4)CC3)cc2)nc1COc1ccccc1 ZINC000020934731 195252223 /nfs/dbraw/zinc/25/22/23/195252223.db2.gz HBMDDYDCLGGWEG-UHFFFAOYSA-N 1 0 459.590 5.320 50 0 JKAARO COc1ccc(F)c(C[N@@H+]2CCC[C@H](c3nc(-c4ccncc4)ncc3-c3ccccc3C)C2)c1 ZINC000020996920 195264977 /nfs/dbraw/zinc/26/49/77/195264977.db2.gz YWYAWGDLZBVAFA-QFIPXVFZSA-N 1 0 468.576 6.041 50 0 JKAARO Cc1ccc2nc3sc(C(=O)NCCC[NH+]4CCC(Cc5ccccc5)CC4)cc3cc2c1 ZINC000021087466 195273853 /nfs/dbraw/zinc/27/38/53/195273853.db2.gz WRGPQQKCBSGMLW-UHFFFAOYSA-N 1 0 457.643 5.833 50 0 JKAARO Cc1cccc(CSCc2ccc(C(=O)Nc3ccc(CCc4nc5ccccc5[nH]4)cc3)o2)c1 ZINC000021152217 195283332 /nfs/dbraw/zinc/28/33/32/195283332.db2.gz JKEDXUURMCTQGN-UHFFFAOYSA-N 1 0 481.621 6.935 50 0 JKAARO O=C(CSc1ncnc2c1sc1cccc(F)c12)NCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000021153468 195284311 /nfs/dbraw/zinc/28/43/11/195284311.db2.gz REORQXNMBCHLQD-UHFFFAOYSA-N 1 0 494.661 5.147 50 0 JKAARO Cc1ccc(Cn2c3ccccc3nc2N2CCC(C(=O)N3CC[NH+](C4CCCCC4)CC3)CC2)cc1 ZINC000021162722 195288123 /nfs/dbraw/zinc/28/81/23/195288123.db2.gz OPWXDNUMSBCWIR-UHFFFAOYSA-N 1 0 499.703 5.086 50 0 JKAARO Cc1cccc(Cn2c3ccccc3nc2N2CCC(C(=O)N3CC[NH+](C4CCCCC4)CC3)CC2)c1 ZINC000021162825 195288386 /nfs/dbraw/zinc/28/83/86/195288386.db2.gz HZFVQRYYSCSUIA-UHFFFAOYSA-N 1 0 499.703 5.086 50 0 JKAARO O=C(Nc1c2ccccc2[nH]c1C(=O)N1CC[NH+](C2CCCCC2)CC1)c1ccc(Cl)cc1 ZINC000021361877 195299212 /nfs/dbraw/zinc/29/92/12/195299212.db2.gz ASRXXOFQLWFPPB-UHFFFAOYSA-N 1 0 464.997 5.164 50 0 JKAARO O[C@](c1ccc(Br)cc1)([C@H](C[NH+]1CCOCC1)c1ccccc1)C1CCCCC1 ZINC000021523099 195303715 /nfs/dbraw/zinc/30/37/15/195303715.db2.gz MKCWNMODGUNHIW-JWQCQUIFSA-N 1 0 458.440 5.333 50 0 JKAARO CCc1cc2c(cc3n2C[C@](C)(C(=O)NC2CCCCC2)N(CCC[N@@H+]2CCCC[C@@H]2C)C3=O)s1 ZINC000021526060 195304862 /nfs/dbraw/zinc/30/48/62/195304862.db2.gz YXSDNEDKHWKLFG-WTYVLRPYSA-N 1 0 498.737 5.193 50 0 JKAARO CCc1cc2c(cc3n2C[C@@](C)(C(=O)NC2CCCCCC2)N(CCC[NH+](CC)CC)C3=O)s1 ZINC000021526018 195304892 /nfs/dbraw/zinc/30/48/92/195304892.db2.gz HYQFNNMGULMPGO-MHZLTWQESA-N 1 0 486.726 5.051 50 0 JKAARO O=C(NCC1CC[NH+](Cc2ccc(F)cc2)CC1)c1cc(-c2ccccn2)nc2ccccc21 ZINC000021934254 195335924 /nfs/dbraw/zinc/33/59/24/195335924.db2.gz LDOAYIQKVOSJEF-UHFFFAOYSA-N 1 0 454.549 5.078 50 0 JKAARO Cc1ccc(C[NH+]2CCC(CNC(=O)c3cc(-c4cccnc4)nc4ccccc43)CC2)cc1 ZINC000021934590 195335939 /nfs/dbraw/zinc/33/59/39/195335939.db2.gz SLSXYEXANGYKPY-UHFFFAOYSA-N 1 0 450.586 5.247 50 0 JKAARO O=C(NCC[N@H+](CCc1ccccc1)Cc1ccco1)c1cc(-c2cccnc2)nc2ccccc21 ZINC000021934676 195335961 /nfs/dbraw/zinc/33/59/61/195335961.db2.gz CKHGASKDFQMOFT-UHFFFAOYSA-N 1 0 476.580 5.365 50 0 JKAARO O=C(NCC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1cc(-c2cccnc2)nc2ccccc21 ZINC000021935336 195336202 /nfs/dbraw/zinc/33/62/02/195336202.db2.gz DOVPGRDVEUMDED-UHFFFAOYSA-N 1 0 471.004 5.592 50 0 JKAARO C[N@H+](CCNC(=O)c1cc(-c2cccnc2)nc2ccc(Br)cc21)C1CCCCC1 ZINC000021935029 195336221 /nfs/dbraw/zinc/33/62/21/195336221.db2.gz TZXDYDJNKZSCBN-UHFFFAOYSA-N 1 0 467.411 5.054 50 0 JKAARO Cc1c(NC(=O)[C@@H](C)[NH2+][C@@H](c2ccc(C(C)(C)C)cc2)C(C)C)c(=O)n(-c2ccccc2)n1C ZINC000057503158 195348549 /nfs/dbraw/zinc/34/85/49/195348549.db2.gz FWWQCXWXLHPWNX-NTKDMRAZSA-N 1 0 462.638 5.096 50 0 JKAARO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)c1cc(C(C)C)nc2c1cnn2C(C)C ZINC000058152376 195367165 /nfs/dbraw/zinc/36/71/65/195367165.db2.gz NLSRTLRXVVKWAO-UHFFFAOYSA-N 1 0 451.640 5.245 50 0 JKAARO Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000058160772 195368962 /nfs/dbraw/zinc/36/89/62/195368962.db2.gz SNDGDDCUOQMQIB-UHFFFAOYSA-N 1 0 452.558 5.225 50 0 JKAARO CN(CCCCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000058225126 195374332 /nfs/dbraw/zinc/37/43/32/195374332.db2.gz COQQFQKUKOBQFV-UHFFFAOYSA-N 1 0 469.649 5.225 50 0 JKAARO CCOc1cc(/C=C/C(=O)Nc2cc(C[NH+]3CCSCC3)ccc2C)cc(Cl)c1OC ZINC000058279438 195375823 /nfs/dbraw/zinc/37/58/23/195375823.db2.gz OPWKLCBCBNSTNK-BQYQJAHWSA-N 1 0 461.027 5.256 50 0 JKAARO O=C(Nc1ccccc1N1CC[NH+](CCc2ccncc2)CC1)c1cc2c(cccc2F)s1 ZINC000058312159 195376900 /nfs/dbraw/zinc/37/69/00/195376900.db2.gz HCPFEDRBISWZET-UHFFFAOYSA-N 1 0 460.578 5.052 50 0 JKAARO Cc1ccc(-c2cnc(-c3ccccc3C(=O)N3CCC(C[NH+]4C[C@@H](C)O[C@H](C)C4)CC3)o2)cc1 ZINC000058312990 195377176 /nfs/dbraw/zinc/37/71/76/195377176.db2.gz VGUNBNCPIHBVCR-FGZHOGPDSA-N 1 0 473.617 5.278 50 0 JKAARO Cc1ccc(-c2cnc(-c3ccccc3C(=O)N3CCC(C[NH+]4C[C@H](C)O[C@@H](C)C4)CC3)o2)cc1 ZINC000058312992 195377186 /nfs/dbraw/zinc/37/71/86/195377186.db2.gz VGUNBNCPIHBVCR-VXKWHMMOSA-N 1 0 473.617 5.278 50 0 JKAARO CC1=C2C[C@@H]3[C@H](C[NH+]4CCN(c5cccc(C(F)(F)F)c5)CC4)C(=O)O[C@@H]3C[C@@]2(C)CCC1 ZINC000059410478 195399172 /nfs/dbraw/zinc/39/91/72/195399172.db2.gz JWYNWNZVYGMCGY-SWXWDQRWSA-N 1 0 462.556 5.286 50 0 biogenic JKAARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH+]4CCN(c5ccc(Cl)c(Cl)c5)CC4)[C@H]3C=C12 ZINC000059415263 195399409 /nfs/dbraw/zinc/39/94/09/195399409.db2.gz GSMYBZVVBLIYIV-WAUXFYSMSA-N 1 0 463.449 5.430 50 0 biogenic JKAARO CC(=O)[C@@]1(O)[C@H](C)C[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CC[NH+]5CCCCC5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000253532696 195476859 /nfs/dbraw/zinc/47/68/59/195476859.db2.gz YFNPVWRSYRXVRN-NZFCJIPRSA-N 1 0 485.709 5.303 50 0 JKAARO O=C(C[C@@H](c1cn(Cc2ccccc2)c2ccccc12)C1CCCCC1)NCC[NH+]1CCCC1 ZINC000096275427 130011369 /nfs/dbraw/zinc/01/13/69/130011369.db2.gz PHIMLTNVXJWSHD-HHHXNRCGSA-N 1 0 457.662 5.956 50 0 JKAARO Cc1cccc(C[N@H+](C[C@H](Oc2ccc(F)c(F)c2)C(=O)Nc2ccc(F)cc2)C[C@@H]2CCCO2)c1 ZINC000096281487 130027697 /nfs/dbraw/zinc/02/76/97/130027697.db2.gz INLGJIOMGLNXQN-IGKIAQTJSA-N 1 0 498.545 5.480 50 0 JKAARO COc1ccccc1O[C@@H](CCN1CC[NH+](Cc2ccccc2)CC1)c1cccc(Cl)c1 ZINC000096281689 130028482 /nfs/dbraw/zinc/02/84/82/130028482.db2.gz KBTGBFHNAPDQNT-VWLOTQADSA-N 1 0 451.010 5.677 50 0 JKAARO COc1ccccc1O[C@H](CCN1CC[NH+](Cc2ccccc2)CC1)c1cccc(Cl)c1 ZINC000096281690 130028575 /nfs/dbraw/zinc/02/85/75/130028575.db2.gz KBTGBFHNAPDQNT-RUZDIDTESA-N 1 0 451.010 5.677 50 0 JKAARO Cc1c2occ(C(C)(C)C)c2cc2c(C)c(CC(=O)NC[C@H]3CCC[N@@H+]4CCCC[C@H]34)c(=O)oc12 ZINC000096343567 130073625 /nfs/dbraw/zinc/07/36/25/130073625.db2.gz JIAANJPLIOZPLQ-NTKDMRAZSA-N 1 0 478.633 5.377 50 0 JKAARO C[C@@H](C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000103653341 130651200 /nfs/dbraw/zinc/65/12/00/130651200.db2.gz NIIPTCMLCFXJQK-AQNXPRMDSA-N 1 0 453.030 5.402 50 0 JKAARO CC(=O)c1cccc(NC(=O)C2CC[NH+](Cc3cc4ccccc4n3Cc3cccc(F)c3)CC2)c1 ZINC000046056045 518425378 /nfs/dbraw/zinc/42/53/78/518425378.db2.gz DPQAQTLRUADVTH-UHFFFAOYSA-N 1 0 483.587 5.882 50 0 JKAARO CC(C)(C)OC[C@H](O)C[N@@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccccc2Cl)=NO1 ZINC000036146044 518877974 /nfs/dbraw/zinc/87/79/74/518877974.db2.gz PAGVNWUHZGQOLH-UXHICEINSA-N 1 0 465.421 5.165 50 0 JKAARO CC(C)[N@H+](CCCNC(=O)CCN1c2cccnc2Sc2ccccc2C1=O)Cc1ccccc1 ZINC000020512240 519643225 /nfs/dbraw/zinc/64/32/25/519643225.db2.gz LVRXLLDHGLEELA-UHFFFAOYSA-N 1 0 488.657 5.000 50 0 JKAARO CC(C)[NH+](CCn1c(=O)c2ccccc2nc1S[C@@H](C)c1nc(-c2cccs2)no1)C(C)C ZINC000026039950 519651539 /nfs/dbraw/zinc/65/15/39/519651539.db2.gz KRFLZEAASKIUJU-KRWDZBQOSA-N 1 0 483.663 5.480 50 0 JKAARO CC(C)[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C[C@H](O)COC(C)(C)C ZINC000036307060 519653331 /nfs/dbraw/zinc/65/33/31/519653331.db2.gz IWMYIYITQCYYAI-QFIPXVFZSA-N 1 0 469.601 5.405 50 0 JKAARO CC(C)CCNC(=O)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccccc2Cl)CC1 ZINC000046055715 519656006 /nfs/dbraw/zinc/65/60/06/519656006.db2.gz YHMRIEPQEWQAHU-UHFFFAOYSA-N 1 0 452.042 5.717 50 0 JKAARO CC(=O)Nc1ccc(-c2cc(C(=O)NCCC[N@H+]3CCC[C@@H](C)C3)c3cc(C)ccc3n2)cc1 ZINC000033106404 519707897 /nfs/dbraw/zinc/70/78/97/519707897.db2.gz NRNRUTRTBKCIBX-HXUWFJFHSA-N 1 0 458.606 5.020 50 0 JKAARO CC(=O)Nc1ccc(-c2cc(C(=O)NCC[N@@H+](C)Cc3ccccc3)c3cc(C)ccc3n2)cc1 ZINC000033106399 519707902 /nfs/dbraw/zinc/70/79/02/519707902.db2.gz HJXYVPXKEBEFJI-UHFFFAOYSA-N 1 0 466.585 5.030 50 0 JKAARO CC(=O)Nc1ccc(C[NH+]2CCC([C@H](Cc3ccccc3Cl)N(C)C(=O)c3ccco3)CC2)cc1 ZINC000012279531 519715999 /nfs/dbraw/zinc/71/59/99/519715999.db2.gz XLBTZVOIZDDHPV-SANMLTNESA-N 1 0 494.035 5.487 50 0 JKAARO CC(C)C[N@@H+](Cc1c(-c2ccccc2)noc1N1CCCCC1)C[C@@H](O)COc1ccccc1 ZINC000036151087 519717992 /nfs/dbraw/zinc/71/79/92/519717992.db2.gz YOWXVSDFMLEPGX-XMMPIXPASA-N 1 0 463.622 5.230 50 0 JKAARO CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)N2CC[NH+](C3CCCCC3)CC2)[C@@H]1c1cccs1 ZINC000020508426 519719704 /nfs/dbraw/zinc/71/97/04/519719704.db2.gz MQEHXQLGHLSHHE-FTJBHMTQSA-N 1 0 479.690 5.162 50 0 JKAARO CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)N2CCC([NH+]3CCCCC3)CC2)[C@@H]1c1cccs1 ZINC000020508438 519719918 /nfs/dbraw/zinc/71/99/18/519719918.db2.gz LHBAILQPAVGNLS-FTJBHMTQSA-N 1 0 479.690 5.162 50 0 JKAARO CC(C)COC[C@@H](O)C[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000036146373 519755884 /nfs/dbraw/zinc/75/58/84/519755884.db2.gz CURVSYVAOPJFFZ-SFTDATJTSA-N 1 0 483.411 5.161 50 0 JKAARO CC(C)COC[C@@H](O)C[N@@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccccc2Cl)=NO1 ZINC000036146042 519756024 /nfs/dbraw/zinc/75/60/24/519756024.db2.gz QFAPNMPNOGSIED-SFTDATJTSA-N 1 0 465.421 5.022 50 0 JKAARO CC(C)COC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)CC(C)C ZINC000036307381 519757641 /nfs/dbraw/zinc/75/76/41/519757641.db2.gz IBWSLOAYTNGLTJ-XMMPIXPASA-N 1 0 483.628 5.510 50 0 JKAARO CC(C)COC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C1CC1 ZINC000036307108 519757758 /nfs/dbraw/zinc/75/77/58/519757758.db2.gz UMRLYPRALZKRRR-HSZRJFAPSA-N 1 0 467.585 5.016 50 0 JKAARO CC(C)OC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)CC1CC1 ZINC000036307280 519771751 /nfs/dbraw/zinc/77/17/51/519771751.db2.gz OAGCIGIWWIHMEA-QHCPKHFHSA-N 1 0 467.585 5.016 50 0 JKAARO CC(C)OC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(Cl)cc1)C1CC1 ZINC000036305114 519773778 /nfs/dbraw/zinc/77/37/78/519773778.db2.gz KCCLDSAIJXTCNS-JOCHJYFZSA-N 1 0 470.013 5.283 50 0 JKAARO CC(C)OC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(Cl)cc1)CC1CC1 ZINC000036305205 519773847 /nfs/dbraw/zinc/77/38/47/519773847.db2.gz BHTPWWKFJTZKPY-HSZRJFAPSA-N 1 0 484.040 5.531 50 0 JKAARO CC(C)OC[C@H](O)C[N@@H+](Cc1c(C(C)C)nn(-c2ccccc2)c1Oc1ccccc1F)CC1CC1 ZINC000036307924 519773960 /nfs/dbraw/zinc/77/39/60/519773960.db2.gz HPMDIVAUJYHFSB-XMMPIXPASA-N 1 0 495.639 5.925 50 0 JKAARO CC(C)c1ccc2ccc(C(C)C)c(N3C=[N+](c4c5cc(C(C)C)ccc5ccc4C(C)C)CC3)c2c1 ZINC000086012781 519840615 /nfs/dbraw/zinc/84/06/15/519840615.db2.gz MWMAPCBAQKCMRC-UHFFFAOYSA-N 1 0 491.743 9.679 50 0 JKAARO CCC[NH+]1CCC(N2CCOc3c(cc(-c4ccccc4C)cc3OC[C@@H]3CCOC3)C2)CC1 ZINC000014883204 519844393 /nfs/dbraw/zinc/84/43/93/519844393.db2.gz AAEVVLZBVAYWPO-HSZRJFAPSA-N 1 0 464.650 5.146 50 0 JKAARO CCCC(=O)OC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)CC1CC1 ZINC000036306603 519881453 /nfs/dbraw/zinc/88/14/53/519881453.db2.gz ALZRAYVPCVXYNM-XMMPIXPASA-N 1 0 491.632 5.104 50 0 JKAARO CCN(C(=O)C1CCOCC1)[C@@H](Cc1ccccc1)C1CC[NH+](CC[C@H](C)c2ccc(C)o2)CC1 ZINC000014882406 519901189 /nfs/dbraw/zinc/90/11/89/519901189.db2.gz GVCQVUFNIMYTSM-FIPFOOKPSA-N 1 0 480.693 5.680 50 0 JKAARO CCOC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1Cl)CC1CC1 ZINC000036303620 520155833 /nfs/dbraw/zinc/15/58/33/520155833.db2.gz QWSPFBBMRKYRNE-JOCHJYFZSA-N 1 0 470.013 5.236 50 0 JKAARO CC1(C)CC(NC(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)CC(C)(C)[NH2+]1 ZINC000012384378 520284203 /nfs/dbraw/zinc/28/42/03/520284203.db2.gz WZGWPPJGXIMWPL-UHFFFAOYSA-N 1 0 464.613 6.003 50 0 JKAARO CCCOc1c(Cl)cc(C[NH2+]Cc2cc(Cl)c(OCC)c(OCC)c2)cc1OCC ZINC000016448691 520296843 /nfs/dbraw/zinc/29/68/43/520296843.db2.gz MENSVOFFZROZBT-UHFFFAOYSA-N 1 0 456.410 6.268 50 0 JKAARO CCCOc1ccc(CNC(=O)C2CC[NH+](Cc3cc4ccccc4n3Cc3ccccc3)CC2)cc1 ZINC000046055481 520354563 /nfs/dbraw/zinc/35/45/63/520354563.db2.gz FLMAZAGMGNYHDV-UHFFFAOYSA-N 1 0 495.667 6.007 50 0 JKAARO CCCCN(C)C(=O)C1CC[NH+](Cc2cc3ccccc3n2Cc2cccc(Cl)c2)CC1 ZINC000046055566 520369228 /nfs/dbraw/zinc/36/92/28/520369228.db2.gz FQAVTHWWWBZJLY-UHFFFAOYSA-N 1 0 452.042 5.814 50 0 JKAARO CCCC[N@H+](C)CCCNC(=O)c1cc(-c2ccc(Br)s2)nc2ccccc21 ZINC000008593015 520399562 /nfs/dbraw/zinc/39/95/62/520399562.db2.gz YTIQOWDFOYKMNU-UHFFFAOYSA-N 1 0 460.441 5.578 50 0 JKAARO CCOC(=O)C1(Cc2cccc(C(F)(F)F)c2)CC[NH+]([C@@H](C)CCc2ccc(O)cc2)CC1 ZINC000012205332 520464485 /nfs/dbraw/zinc/46/44/85/520464485.db2.gz JZICHFGCCLYAKA-IBGZPJMESA-N 1 0 463.540 5.620 50 0 JKAARO CCOC(=O)C1(Cc2cccc(C(F)(F)F)c2)CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000014980945 520464621 /nfs/dbraw/zinc/46/46/21/520464621.db2.gz FYVXRQXXZYCVQJ-UHFFFAOYSA-N 1 0 471.523 5.279 50 0 JKAARO CC[NH+](CC)CCCNC(=O)c1cccc([C@H]2CCCN(C(=O)Nc3ccc(Cl)cc3)C2)c1 ZINC000033035288 520620251 /nfs/dbraw/zinc/62/02/51/520620251.db2.gz OYBIXOPQQOMIPC-QFIPXVFZSA-N 1 0 471.045 5.213 50 0 JKAARO CC[NH+](CC)CCC[C@@H](C)Nc1nc(/C=C/c2ccc(Br)cc2)nc2ccc(OC)cc21 ZINC000008838188 520631883 /nfs/dbraw/zinc/63/18/83/520631883.db2.gz NRGZLMUAJBBJHU-KZIRBZLESA-N 1 0 497.481 6.494 50 0 JKAARO CC[NH+](CC)CCC[C@H](C)NC(=O)C[C@H](c1cn(C)c2ccccc12)c1cc(OC)cc(OC)c1 ZINC000034890885 520633078 /nfs/dbraw/zinc/63/30/78/520633078.db2.gz ZRJORRIIXMTOPR-LVXARBLLSA-N 1 0 479.665 5.344 50 0 JKAARO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cnn2c1nccc2-c1ccc(-c2ccccc2)cc1 ZINC000034786813 520635430 /nfs/dbraw/zinc/63/54/30/520635430.db2.gz ZAXJOZZKVLKFKB-NRFANRHFSA-N 1 0 455.606 5.304 50 0 JKAARO CCOc1cc(C[N@@H+]2CC[C@H]3[C@H](CCC(=O)N3Cc3ccc(C(F)(F)F)cc3)C2)ccc1OC ZINC000014995407 520699670 /nfs/dbraw/zinc/69/96/70/520699670.db2.gz YDDSLZHZDLVEPF-IRLDBZIGSA-N 1 0 476.539 5.126 50 0 JKAARO CC[NH+](CC)CC[C@@]1(c2ccccc2)c2ccccc2N(N(C)Cc2ccc(OC)cc2Cl)C1=O ZINC000071767406 520712421 /nfs/dbraw/zinc/71/24/21/520712421.db2.gz UBCAVOOYRJEMDP-GDLZYMKVSA-N 1 0 492.063 5.760 50 0 JKAARO CCOc1cc(C[NH2+][C@@H](C)C23CC4CC(CC(C4)C2)C3)cc(Cl)c1OCC(=O)NC(C)(C)C ZINC000016319357 520726486 /nfs/dbraw/zinc/72/64/86/520726486.db2.gz UTGCOWKXEJKHNX-AWYKWWOESA-N 1 0 477.089 5.727 50 0 JKAARO CCOc1cc(C[NH2+][C@H](C)c2ccccc2)c(Br)cc1OCC(=O)NCc1ccccc1 ZINC000016382431 520730766 /nfs/dbraw/zinc/73/07/66/520730766.db2.gz JUSYOTNCNQYBNH-LJQANCHMSA-N 1 0 497.433 5.394 50 0 JKAARO CC[NH+](CC)Cc1cc(-c2ccc3c(c2)OCO3)ccc1OCC(=O)Nc1cc(F)ccc1C ZINC000014961550 520742266 /nfs/dbraw/zinc/74/22/66/520742266.db2.gz GKDNEFKMXWJTRR-UHFFFAOYSA-N 1 0 464.537 5.389 50 0 JKAARO CC[NH+](CC)[C@@H](CNC(=O)c1cc(-c2ccc3c(c2)OCCO3)on1)c1ccc(C(C)C)cc1 ZINC000021807555 520838536 /nfs/dbraw/zinc/83/85/36/520838536.db2.gz OHBBRVSRHSZUOY-QHCPKHFHSA-N 1 0 463.578 5.049 50 0 JKAARO CC1=NN(c2ccc(C)cc2)C(=O)[C@@]12Cc1ccc(Cl)cc1N1CC[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000033428981 520892435 /nfs/dbraw/zinc/89/24/35/520892435.db2.gz MIEOGAKZEZQIJG-PXJZQJOASA-N 1 0 485.031 5.304 50 0 biogenic JKAARO CCN(CC)c1onc(-c2ccccc2)c1C[N@H+](CCC(C)C)C[C@H](O)COCc1ccco1 ZINC000036248927 520935681 /nfs/dbraw/zinc/93/56/81/520935681.db2.gz OGIZWKNYOXVUMA-QHCPKHFHSA-N 1 0 469.626 5.207 50 0 JKAARO CCOC(=O)N1CCN(c2nc3ccc(C)cc3cc2C[NH2+]Cc2cccc(C(F)(F)F)c2)CC1 ZINC000014986038 520963145 /nfs/dbraw/zinc/96/31/45/520963145.db2.gz BUNLRXNWLRZLOV-UHFFFAOYSA-N 1 0 486.538 5.130 50 0 JKAARO CCOc1ccc(C[N@@H+](Cc2cc(=O)n3c(-c4ccc(F)cc4)csc3n2)CC(C)C)cc1 ZINC000033268842 520964324 /nfs/dbraw/zinc/96/43/24/520964324.db2.gz POZPZABUXATKOV-UHFFFAOYSA-N 1 0 465.594 5.619 50 0 JKAARO CCC(=O)N(CC[NH+]1CCCCC1)Cc1csc(COc2cc(Cl)ccc2Cl)n1 ZINC000036124413 521087357 /nfs/dbraw/zinc/08/73/57/521087357.db2.gz HENCLEGTWWESHB-UHFFFAOYSA-N 1 0 456.439 5.253 50 0 JKAARO CCC(=O)Nc1ccc(-c2cc(C(=O)NCCC[NH+]3CCCCCC3)c3ccccc3n2)cc1 ZINC000033106293 521197672 /nfs/dbraw/zinc/19/76/72/521197672.db2.gz CZHZGPBTUYBCAF-UHFFFAOYSA-N 1 0 458.606 5.246 50 0 JKAARO CCC(=O)Nc1ccc(-c2cc(C(=O)NCCC[N@@H+]3CCC[C@@H](C)C3)c3ccccc3n2)cc1 ZINC000033106301 521198346 /nfs/dbraw/zinc/19/83/46/521198346.db2.gz UQFKXEPLMRSJDM-HXUWFJFHSA-N 1 0 458.606 5.102 50 0 JKAARO CCOc1ccc([C@@H](C)[NH2+]CC(=O)Nc2nc(-c3ccc(Br)cc3)cs2)cc1 ZINC000004662434 521222496 /nfs/dbraw/zinc/22/24/96/521222496.db2.gz MUDYPGFXLOFQAH-CQSZACIVSA-N 1 0 460.397 5.261 50 0 JKAARO CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccc(C)cc1)C(c1ccc(C(C)(C)C)cc1)=N2 ZINC000045912768 521584896 /nfs/dbraw/zinc/58/48/96/521584896.db2.gz YRQPXGQIRHJAHF-UHFFFAOYSA-N 1 0 476.690 5.678 50 0 JKAARO CCCn1c(C[NH+]2CCC(C)CC2)nc2cc(NC(=O)COc3ccc(Cl)cc3)ccc21 ZINC000026121583 521629796 /nfs/dbraw/zinc/62/97/96/521629796.db2.gz JZOSRYIJDWOYTH-UHFFFAOYSA-N 1 0 455.002 5.349 50 0 JKAARO CCC[NH+](CCC)CCNC(=O)c1cc(-c2ccc(Br)s2)nc2ccccc21 ZINC000008593013 521646805 /nfs/dbraw/zinc/64/68/05/521646805.db2.gz FUZWGHYOLAULMC-UHFFFAOYSA-N 1 0 460.441 5.578 50 0 JKAARO CCCn1cc(C[NH+]2CCC(C(=O)Nc3ccc(Oc4ccccc4F)cc3)CC2)c(C)n1 ZINC000012466967 521652149 /nfs/dbraw/zinc/65/21/49/521652149.db2.gz SYBJQJAVEVATKI-UHFFFAOYSA-N 1 0 450.558 5.384 50 0 JKAARO CCC[N@H+](CCc1c[nH]c2ccc(NC(=O)CO[C@@H]3C[C@H](C)CC[C@H]3C(C)C)cc12)CC1CC1 ZINC000022640202 521671104 /nfs/dbraw/zinc/67/11/04/521671104.db2.gz IADCSNUATROOQG-AHCMPFEKSA-N 1 0 467.698 6.248 50 0 JKAARO CCCn1ncc(C[NH+]2CCC(Cc3cccc(C(F)(F)F)c3)(C(=O)OCC)CC2)c1C ZINC000012456630 521672200 /nfs/dbraw/zinc/67/22/00/521672200.db2.gz VCZIPGYVQPBLDN-UHFFFAOYSA-N 1 0 451.533 5.008 50 0 JKAARO CCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@@H](O)COC(C)(C)C ZINC000036308269 521678140 /nfs/dbraw/zinc/67/81/40/521678140.db2.gz ULYYVFNGQMTUSI-JOCHJYFZSA-N 1 0 451.611 5.267 50 0 JKAARO CCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@H](O)Cc1ccccc1 ZINC000036307675 521678176 /nfs/dbraw/zinc/67/81/76/521678176.db2.gz XYYBSOCHTFIZRV-RUZDIDTESA-N 1 0 473.592 5.834 50 0 JKAARO CCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@@H](O)COc1ccccc1 ZINC000036307638 521678456 /nfs/dbraw/zinc/67/84/56/521678456.db2.gz XZEAMXVMUJPJPP-XMMPIXPASA-N 1 0 489.591 5.670 50 0 JKAARO CCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1)C[C@H](O)COC(C)(C)C ZINC000036305559 521678476 /nfs/dbraw/zinc/67/84/76/521678476.db2.gz XZBGIITTWJEHLV-QFIPXVFZSA-N 1 0 481.637 5.276 50 0 JKAARO CCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1)C[C@H](O)Cc1ccccc1 ZINC000036305535 521678597 /nfs/dbraw/zinc/67/85/97/521678597.db2.gz DJODSQHKFHLBMW-RUZDIDTESA-N 1 0 485.628 5.704 50 0 JKAARO CCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)C[C@@H](O)Cc1ccccc1 ZINC000036305889 521678628 /nfs/dbraw/zinc/67/86/28/521678628.db2.gz QMVSHUWDYKRBQD-VWLOTQADSA-N 1 0 485.628 5.704 50 0 JKAARO CCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1)C[C@@H](O)Cc1ccccc1 ZINC000036305537 521678719 /nfs/dbraw/zinc/67/87/19/521678719.db2.gz DJODSQHKFHLBMW-VWLOTQADSA-N 1 0 485.628 5.704 50 0 JKAARO CCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)C[C@H](O)COCC(C)C ZINC000036306255 521678789 /nfs/dbraw/zinc/67/87/89/521678789.db2.gz ICDUGSIHWBBXCU-QHCPKHFHSA-N 1 0 481.637 5.134 50 0 JKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C[C@@H](O)COCC(C)C ZINC000036304177 521678996 /nfs/dbraw/zinc/67/89/96/521678996.db2.gz UDXGHGRJBXEVJK-HSZRJFAPSA-N 1 0 487.591 5.497 50 0 JKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C[C@@H](O)COC(C)C ZINC000036304162 521679082 /nfs/dbraw/zinc/67/90/82/521679082.db2.gz OHJMDRZMLBSQIP-JOCHJYFZSA-N 1 0 473.564 5.249 50 0 JKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C[C@@H](O)COC(C)(C)C ZINC000036304559 521679103 /nfs/dbraw/zinc/67/91/03/521679103.db2.gz TYWYLXSPMFLDLJ-HSZRJFAPSA-N 1 0 481.637 5.370 50 0 JKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C[C@@H](O)COC(C)(C)C ZINC000036303934 521679253 /nfs/dbraw/zinc/67/92/53/521679253.db2.gz PVBUUSRZGKTHPO-HSZRJFAPSA-N 1 0 481.637 5.370 50 0 JKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C[C@H](O)Cc1ccccc1 ZINC000036303905 521679350 /nfs/dbraw/zinc/67/93/50/521679350.db2.gz FTVZPBWBEBBFDB-AREMUKBSSA-N 1 0 485.628 5.797 50 0 JKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C[C@@H](O)COCc1ccccc1 ZINC000036304854 521679389 /nfs/dbraw/zinc/67/93/89/521679389.db2.gz TZBXYKLZDCHVBD-MUUNZHRXSA-N 1 0 499.655 6.071 50 0 JKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C[C@H](O)COCC(C)C ZINC000036303910 521679406 /nfs/dbraw/zinc/67/94/06/521679406.db2.gz XLYVLCLPAGXWGO-DEOSSOPVSA-N 1 0 481.637 5.227 50 0 JKAARO CCC[N@@H+](Cc1c(-c2ccccc2)noc1N1CCCCC1)C[C@@H](O)COCc1ccccc1 ZINC000036249849 521679696 /nfs/dbraw/zinc/67/96/96/521679696.db2.gz CUDXLMUSKRSRKK-RUZDIDTESA-N 1 0 463.622 5.122 50 0 JKAARO CC[NH+]1CCN(CCCNC(=O)c2sc3c(cnc4ccccc34)c2-c2ccc(C)c(C)c2)CC1 ZINC000045943857 521681849 /nfs/dbraw/zinc/68/18/49/521681849.db2.gz OUMQFLBTRDDUCJ-UHFFFAOYSA-N 1 0 486.685 5.491 50 0 JKAARO CCC[N@H+](Cc1ccc(C(O)(c2cccc(F)c2)c2cccc(F)c2)o1)Cc1cccc(C)c1 ZINC000036203499 521682520 /nfs/dbraw/zinc/68/25/20/521682520.db2.gz ICKXTJKHRZRMLB-UHFFFAOYSA-N 1 0 461.552 6.563 50 0 JKAARO CCC[N@H+](Cc1ccc(C(O)(c2cccs2)c2cccs2)o1)Cc1cccc(OC)c1 ZINC000036203431 521682698 /nfs/dbraw/zinc/68/26/98/521682698.db2.gz DQTHZDAXJSXHSR-UHFFFAOYSA-N 1 0 453.629 6.108 50 0 JKAARO CCC[N@H+](Cc1ccc(C(O)(c2cccc(F)c2)c2cccc(F)c2)o1)Cc1ccccc1OC ZINC000036167855 521682763 /nfs/dbraw/zinc/68/27/63/521682763.db2.gz AZHFAOOPEJGOLP-UHFFFAOYSA-N 1 0 477.551 6.263 50 0 JKAARO CCC[N@@H+](Cc1ccsc1)Cc1ccc(C(O)(c2cccc(F)c2)c2cccc(F)c2)o1 ZINC000036202935 521691658 /nfs/dbraw/zinc/69/16/58/521691658.db2.gz CYHMJTRPGXAWKD-UHFFFAOYSA-N 1 0 453.554 6.316 50 0 JKAARO CC[N@@H+]1CCc2c(sc3c2CN(C(=O)Nc2ccccc2OC)[C@@H](c2ccccc2)c2cccn2-3)C1 ZINC000035427412 521724761 /nfs/dbraw/zinc/72/47/61/521724761.db2.gz BSOVZONVJZNFBN-MHZLTWQESA-N 1 0 498.652 6.063 50 0 JKAARO C[NH+](C)CCNC(=O)C[C@@H](c1cn(Cc2ccc(F)cc2)c2ccccc12)c1cccc(Cl)c1 ZINC000033516069 521777914 /nfs/dbraw/zinc/77/79/14/521777914.db2.gz UPUJKYJHKKUNPH-RUZDIDTESA-N 1 0 478.011 5.682 50 0 JKAARO C[NH+](C)Cc1cc(-c2ncccn2)ccc1OCC(=O)Nc1ccc2c(c1)Nc1ccccc1CC2 ZINC000012453320 521890683 /nfs/dbraw/zinc/89/06/83/521890683.db2.gz AKCLNYPPLBWDOH-UHFFFAOYSA-N 1 0 479.584 5.065 50 0 JKAARO C[NH2+]C(c1ccccc1)(c1ccccc1)c1ccccc1N(C)C(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000012416961 521948451 /nfs/dbraw/zinc/94/84/51/521948451.db2.gz AAUCQGTXBGOKNM-UHFFFAOYSA-N 1 0 478.680 6.767 50 0 JKAARO CC[C@H](CO)[NH2+]C[C@@H](O)Cn1c(-c2ccccc2)c(-c2ccccc2)c2ccc3ccccc3c21 ZINC000012437245 522227904 /nfs/dbraw/zinc/22/79/04/522227904.db2.gz SZVATVYGKIYYSJ-CLJLJLNGSA-N 1 0 464.609 5.850 50 0 JKAARO COc1cc(C[NH+]2CCC(n3c(Cc4ccc(F)cc4)nc4cccnc43)CC2)cc(OC)c1OC ZINC000014884022 522369638 /nfs/dbraw/zinc/36/96/38/522369638.db2.gz KBMJNXMOMDSCJU-UHFFFAOYSA-N 1 0 490.579 5.024 50 0 JKAARO COC(=O)c1sc2nc(C[NH+]3CCC(C)CC3)ccc2c1NC(=O)c1ccccc1Cl ZINC000014994442 522435168 /nfs/dbraw/zinc/43/51/68/522435168.db2.gz ABMKZEPJOJZMTB-UHFFFAOYSA-N 1 0 457.983 5.221 50 0 JKAARO COc1cc(C[NH2+]C(C)(C)CO)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000004418499 522438669 /nfs/dbraw/zinc/43/86/69/522438669.db2.gz WPFFIMGBXUEJIK-UHFFFAOYSA-N 1 0 463.199 5.204 50 0 JKAARO COc1cc(C[NH2+]Cc2cc3cc(C)ccc3nc2OCc2cccc(F)c2)cc(OC)c1OC ZINC000012338122 522464782 /nfs/dbraw/zinc/46/47/82/522464782.db2.gz WEWJFDICBVHDML-UHFFFAOYSA-N 1 0 476.548 5.577 50 0 JKAARO COc1cc(C[NH2+]Cc2ccccc2)cc(Br)c1OCC(=O)Nc1ccccc1C ZINC000016447790 522467866 /nfs/dbraw/zinc/46/78/66/522467866.db2.gz LWUPYUZCCDUHON-UHFFFAOYSA-N 1 0 469.379 5.073 50 0 JKAARO COc1cc(C[NH2+][C@@H](C)c2ccccc2)cc(Br)c1OCC(=O)NCc1ccccc1 ZINC000016382630 522473316 /nfs/dbraw/zinc/47/33/16/522473316.db2.gz PVMHFZTWNQQGEA-SFHVURJKSA-N 1 0 483.406 5.004 50 0 JKAARO CCc1nn(-c2ccccc2)c(Oc2cccc(OC)c2)c1C[N@H+](C[C@@H](O)COC(C)C)CC1CC1 ZINC000036302623 522639300 /nfs/dbraw/zinc/63/93/00/522639300.db2.gz BECRUEMTPWSKQU-XMMPIXPASA-N 1 0 493.648 5.234 50 0 JKAARO CCc1nn(-c2ccccc2)c(Oc2ccccc2OC)c1C[N@H+](C[C@H](O)Cc1ccccc1)C1CC1 ZINC000036302762 522642748 /nfs/dbraw/zinc/64/27/48/522642748.db2.gz BWKWLRWURJHHOR-AREMUKBSSA-N 1 0 497.639 5.804 50 0 JKAARO COCC(=O)N(C)[C@@H](Cc1ccc(F)cc1)C1CC[NH+]([C@H](C)CCc2c[nH]c3ccccc23)CC1 ZINC000014989737 522728646 /nfs/dbraw/zinc/72/86/46/522728646.db2.gz XABFNTDFEFFLKN-PIKZIKFNSA-N 1 0 479.640 5.056 50 0 JKAARO C[N@H+](CCCNC(=O)c1cccc(Nc2ccc(-c3ccccc3)nn2)c1)Cc1ccccc1 ZINC000033258019 522770334 /nfs/dbraw/zinc/77/03/34/522770334.db2.gz OIEDJMOXZPKETR-UHFFFAOYSA-N 1 0 451.574 5.139 50 0 JKAARO COc1cc([C@@H](c2c(C)[nH]c3ccccc32)N2CC[NH+](Cc3ccccc3)CC2)cc(OC)c1OC ZINC000021670496 522914220 /nfs/dbraw/zinc/91/42/20/522914220.db2.gz RWQJIRWUKNZWHK-LJAQVGFWSA-N 1 0 485.628 5.409 50 0 JKAARO COc1cc([C@H](C)[NH2+]Cc2cn(Cc3ccccc3)nc2-c2ccc(C)c(C)c2)ccc1OCCO ZINC000048275573 522944195 /nfs/dbraw/zinc/94/41/95/522944195.db2.gz WNWSUDFKZDRENE-QHCPKHFHSA-N 1 0 485.628 5.446 50 0 JKAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1[nH]c2cc(C)ccc2c1Sc1ccc(Cl)cc1 ZINC000020466732 523020632 /nfs/dbraw/zinc/02/06/32/523020632.db2.gz JSRUSQXJSBSXJI-FQEVSTJZSA-N 1 0 470.082 6.665 50 0 JKAARO CCn1c(C(=O)NCCC[N@@H+]2CCC[C@@H](C)C2)cc2c(-c3cccs3)nn(-c3ccccc3)c21 ZINC000033277408 523115748 /nfs/dbraw/zinc/11/57/48/523115748.db2.gz XLZQYRWKEUYNDB-HXUWFJFHSA-N 1 0 475.662 5.427 50 0 JKAARO CC[C@@H]1CCCC[N@@H+]1CCCN1C(=O)c2cc3sccc3n2C[C@@]1(C)C(=O)NC1CCCCCC1 ZINC000021809867 523166418 /nfs/dbraw/zinc/16/64/18/523166418.db2.gz ZTUJHODJTRLSFY-DFHRPNOPSA-N 1 0 498.737 5.411 50 0 JKAARO COc1ccc(-c2csc3nc(C[N@@H+](Cc4ccc(Cl)cc4)CC(C)C)cc(=O)n23)cc1 ZINC000033268811 523172033 /nfs/dbraw/zinc/17/20/33/523172033.db2.gz DYLHTMDPAFZVPH-UHFFFAOYSA-N 1 0 468.022 5.743 50 0 JKAARO COCCC[N@H+](Cc1ccc(C(O)(c2ccccc2)c2ccccc2)o1)Cc1cccc(F)c1 ZINC000036203089 523263243 /nfs/dbraw/zinc/26/32/43/523263243.db2.gz DWVJFEQZFOGYNR-UHFFFAOYSA-N 1 0 459.561 5.742 50 0 JKAARO COCCC[N@H+](Cc1ccc(C(O)(c2cccc(F)c2)c2cccc(F)c2)o1)Cc1cccc(F)c1 ZINC000036203109 523263901 /nfs/dbraw/zinc/26/39/01/523263901.db2.gz FIRZSZYVIKIHOI-UHFFFAOYSA-N 1 0 495.541 6.020 50 0 JKAARO C[N@H+](Cc1ccc(OC2CCN(C(=O)Cc3ccsc3)CC2)cc1)Cc1ccc2ncccc2c1 ZINC000012244747 523273572 /nfs/dbraw/zinc/27/35/72/523273572.db2.gz KUSHDAFTKQRRLS-UHFFFAOYSA-N 1 0 485.653 5.541 50 0 JKAARO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000048374658 523299760 /nfs/dbraw/zinc/29/97/60/523299760.db2.gz ULAQYPNIDCBQHA-UHFFFAOYSA-N 1 0 480.474 5.009 50 0 JKAARO CN(Cc1cscn1)C(=O)[C@H]1CC12CC[NH+](Cc1cn(-c3ccccc3)nc1-c1ccccc1)CC2 ZINC000014882169 523535008 /nfs/dbraw/zinc/53/50/08/523535008.db2.gz BXHOKFLLCOIQPW-AREMUKBSSA-N 1 0 497.668 5.257 50 0 JKAARO CN(Cc1cscn1)C(=O)[C@@H]1CC12CC[NH+](Cc1ccc(-c3ccccc3Cl)o1)CC2 ZINC000014883388 523535954 /nfs/dbraw/zinc/53/59/54/523535954.db2.gz VFMYEXGEQZXQDB-FQEVSTJZSA-N 1 0 456.011 5.317 50 0 JKAARO COc1ccc(C(=O)N(CC[NH+](C)C)Cc2csc(COc3cc(Cl)ccc3Cl)n2)cc1 ZINC000036124484 523613365 /nfs/dbraw/zinc/61/33/65/523613365.db2.gz GKPUIYYPGVOKFA-UHFFFAOYSA-N 1 0 494.444 5.242 50 0 JKAARO COc1ccc(C(=O)N2CCCC2)c(OC2CC[NH+](Cc3cc4ccccc4s3)CC2)c1 ZINC000012441199 523628463 /nfs/dbraw/zinc/62/84/63/523628463.db2.gz XITRGCNOOWTCSJ-UHFFFAOYSA-N 1 0 450.604 5.189 50 0 JKAARO CCn1nc(C)c(C[NH+]2CCC([C@H](Cc3ccccc3)N(C)C(=O)c3cccs3)CC2)c1C ZINC000012452900 523640567 /nfs/dbraw/zinc/64/05/67/523640567.db2.gz CYWSLQHHGHPVEU-VWLOTQADSA-N 1 0 464.679 5.177 50 0 JKAARO CCN1c2ccccc2SC1=CC1=CC(=Cc2c3cc(C)ccc3cc[n+]2CC)CC(C)(C)C1 ZINC000013361964 523655343 /nfs/dbraw/zinc/65/53/43/523655343.db2.gz RQWFJMLPZRWGPN-UHFFFAOYSA-N 1 0 467.702 7.994 50 0 JKAARO CCc1cc([C@H](c2cccc(Cl)c2)N2CC[NH+](CC)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546534 523844329 /nfs/dbraw/zinc/84/43/29/523844329.db2.gz YCDZCSURUZBHPX-QFIPXVFZSA-N 1 0 458.027 5.536 50 0 JKAARO CCc1ccc(/C=C2/Sc3ccccc3N(CC(=O)NCCC[NH+]3C[C@@H](C)C[C@H](C)C3)C2=O)cc1 ZINC000020181666 523873843 /nfs/dbraw/zinc/87/38/43/523873843.db2.gz RFQXIKDFSPDZHX-TYRJWHKOSA-N 1 0 491.701 5.213 50 0 JKAARO COc1ccc(CC[N@H+](C)C[C@H](O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)cc1OC ZINC000016045087 523940193 /nfs/dbraw/zinc/94/01/93/523940193.db2.gz QKYNDHFESQJFAP-QHCPKHFHSA-N 1 0 457.655 5.332 50 0 JKAARO CC[C@H](C)[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C[C@H](O)Cc1ccccc1 ZINC000036302067 523940239 /nfs/dbraw/zinc/94/02/39/523940239.db2.gz TXMMEXQAGLJBND-WNCULLNHSA-N 1 0 499.655 6.186 50 0 JKAARO CC[C@H](C)[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C[C@H](O)COC(C)(C)C ZINC000036302079 523940555 /nfs/dbraw/zinc/94/05/55/523940555.db2.gz NSKUQSCGBBGNDV-URXFXBBRSA-N 1 0 495.664 5.758 50 0 JKAARO CN(C(=O)c1ccco1)[C@H](Cc1ccccc1Cl)C1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000014981755 523951178 /nfs/dbraw/zinc/95/11/78/523951178.db2.gz VWYLTOZSAWDXEY-XMMPIXPASA-N 1 0 495.019 5.300 50 0 JKAARO CN(C(=O)c1cccs1)[C@@H](Cc1ccccc1)C1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000014879966 523951356 /nfs/dbraw/zinc/95/13/56/523951356.db2.gz GKMMFMSAUYZTTF-SANMLTNESA-N 1 0 469.654 5.892 50 0 JKAARO CN(C(=O)c1ccco1)[C@@H](Cc1ccccc1Cl)C1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000012279087 523951641 /nfs/dbraw/zinc/95/16/41/523951641.db2.gz NLIOVASRZRTENI-DEOSSOPVSA-N 1 0 454.973 5.668 50 0 JKAARO CN(C(=O)c1cccs1)[C@@H](Cc1ccccc1F)C1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000014965080 523951876 /nfs/dbraw/zinc/95/18/76/523951876.db2.gz DBGMFLFAVWZPFH-QHCPKHFHSA-N 1 0 480.605 5.211 50 0 JKAARO CN(C(=O)c1ccsc1)[C@@H](Cc1ccccc1F)C1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000014963837 523955225 /nfs/dbraw/zinc/95/52/25/523955225.db2.gz GYTIBLUGHYNVRS-MHZLTWQESA-N 1 0 462.634 5.450 50 0 JKAARO CCc1ccc(NC(=O)Cn2cc(-c3nnc(C[NH+]4CCC(C)CC4)o3)c3ccccc32)cc1 ZINC000033129362 523977448 /nfs/dbraw/zinc/97/74/48/523977448.db2.gz ZUTSZUAFFDDXOB-UHFFFAOYSA-N 1 0 457.578 5.124 50 0 JKAARO CCc1ccc(NC(=O)N2CCC[C@@H](c3cccc(C(=O)NCCC[NH+](CC)CC)c3)C2)cc1 ZINC000033035548 523979465 /nfs/dbraw/zinc/97/94/65/523979465.db2.gz HFUUMDFHXMWZOG-RUZDIDTESA-N 1 0 464.654 5.122 50 0 JKAARO COc1ccc(C[NH+]2CCC([C@H](Cc3ccccc3)N(C(=O)c3ccccn3)C3CC3)CC2)c(F)c1 ZINC000014883010 524023960 /nfs/dbraw/zinc/02/39/60/524023960.db2.gz FNUQCPFJSZHAPZ-LJAQVGFWSA-N 1 0 487.619 5.357 50 0 JKAARO COc1ccc(C[NH+]2CCC([C@@H](Cc3ccccc3F)N(C)C(=O)c3ccoc3C)CC2)cc1 ZINC000014992367 524024200 /nfs/dbraw/zinc/02/42/00/524024200.db2.gz PSOVUJJZPBZYHX-HHHXNRCGSA-N 1 0 464.581 5.331 50 0 JKAARO COc1ccc(C[NH+]2CCC([C@@H](Cc3ccccc3F)N(C)C(=O)c3cccs3)CC2)cc1OC ZINC000012332537 524024720 /nfs/dbraw/zinc/02/47/20/524024720.db2.gz UDNLJXSXPGOMGE-XMMPIXPASA-N 1 0 496.648 5.500 50 0 JKAARO COc1ccc(CN2CC[NH+](Cc3csc(C)c3-c3ccc(C)cc3)CC2)c(OC)c1OC ZINC000020514466 524033251 /nfs/dbraw/zinc/03/32/51/524033251.db2.gz CWZSWVCRIFCTMM-UHFFFAOYSA-N 1 0 466.647 5.376 50 0 JKAARO COc1ccc(C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@H]2c2cccc(Cl)c2)c2ccccc12 ZINC000016672196 524039406 /nfs/dbraw/zinc/03/94/06/524039406.db2.gz UNLVOCZREAEBED-GDLZYMKVSA-N 1 0 474.000 6.667 50 0 JKAARO COc1cccc([C@@H](CNC(=O)CCc2nc(-c3ccccc3)c(-c3ccccc3)o2)[NH+](C)C)c1 ZINC000022683725 524096376 /nfs/dbraw/zinc/09/63/76/524096376.db2.gz GQDYIHNBTBQEQO-RUZDIDTESA-N 1 0 469.585 5.369 50 0 JKAARO C[C@@H]1CCCC[N@@H+]1CCCN1C(=O)c2ccc(-c3ccco3)n2C[C@@]1(C)C(=O)NC1CCCCCC1 ZINC000021864579 524100702 /nfs/dbraw/zinc/10/07/02/524100702.db2.gz BHYDECZKMVPXTJ-MNNSJKJDSA-N 1 0 494.680 5.066 50 0 JKAARO Cc1ccc(C)c(N2CC[NH+](CCCNc3ncnc4onc(-c5ccc(Cl)cc5)c43)CC2)c1 ZINC000008595457 524124793 /nfs/dbraw/zinc/12/47/93/524124793.db2.gz FRSDPKLRVCJXPU-UHFFFAOYSA-N 1 0 477.012 5.179 50 0 JKAARO C[C@H](CC[NH+]1CCC2(C[C@@H]2C(=O)NCC2(c3ccccc3)CCOCC2)CC1)c1ccccc1 ZINC000014879335 524173848 /nfs/dbraw/zinc/17/38/48/524173848.db2.gz WCAZGJFCYQJIGE-SHQCIBLASA-N 1 0 460.662 5.147 50 0 JKAARO C[C@@H](C(=O)NCC[C@H](C)[NH+]1CCCCCC1)C1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 ZINC000046125159 524188067 /nfs/dbraw/zinc/18/80/67/524188067.db2.gz TWTILTKUAIHAJJ-VQTJNVASSA-N 1 0 487.088 5.080 50 0 JKAARO Cc1cc(C)c(NC(=O)Cn2cc(-c3nnc(C[NH+]4CCC(C)CC4)o3)c3ccccc32)c(C)c1 ZINC000033129377 524291840 /nfs/dbraw/zinc/29/18/40/524291840.db2.gz OEPSBAIPKKRIQB-UHFFFAOYSA-N 1 0 471.605 5.487 50 0 JKAARO COc1ccccc1/C=C/C[NH+]1CCC(n2nccc2NC(=O)c2ccccc2Cl)CC1 ZINC000011768974 524317506 /nfs/dbraw/zinc/31/75/06/524317506.db2.gz URVUMHBOHMHUNN-SOFGYWHQSA-N 1 0 450.970 5.148 50 0 JKAARO Cc1cc(C)c(S(=O)(=O)Nc2ccc(Nc3cc(NC4CCCCC4)nc(C)[nH+]3)cc2)c(C)c1 ZINC000033326906 524324754 /nfs/dbraw/zinc/32/47/54/524324754.db2.gz SNMDOGYNLHDBHG-UHFFFAOYSA-N 1 0 479.650 5.999 50 0 JKAARO Cc1cc(C)cc(CNC(=O)[C@H]2C[C@@H](C(=O)Nc3ccc4c(c3)CCC4)C[N@H+](Cc3ccccc3)C2)c1 ZINC000014743349 524383791 /nfs/dbraw/zinc/38/37/91/524383791.db2.gz XWZSYXLYKBSSDR-URLMMPGGSA-N 1 0 495.667 5.185 50 0 JKAARO Cc1cccc(C[NH+]2CCC(CNC(=O)c3cc(-c4ccccn4)nc4ccccc43)CC2)c1 ZINC000033267191 524386550 /nfs/dbraw/zinc/38/65/50/524386550.db2.gz UCLQPXXCJHDVCN-UHFFFAOYSA-N 1 0 450.586 5.247 50 0 JKAARO Cc1cccc(CNC(=O)C2CC[NH+](Cc3cc4ccccc4n3Cc3ccccc3C)CC2)c1 ZINC000046055796 524411987 /nfs/dbraw/zinc/41/19/87/524411987.db2.gz ZSFFCDBIYIPARU-UHFFFAOYSA-N 1 0 465.641 5.835 50 0 JKAARO Cc1cccc(CNC(=O)C2CC[NH+](Cc3cc4ccccc4n3Cc3cccc(Cl)c3)CC2)c1 ZINC000046055620 524412192 /nfs/dbraw/zinc/41/21/92/524412192.db2.gz RVHHBJXZUKFUCB-UHFFFAOYSA-N 1 0 486.059 6.180 50 0 JKAARO Cc1ccc(C[NH+]2CCC(O)(c3ccc4oc(C(=O)N(C)CCc5ccccn5)cc4c3)CC2)c(C)c1 ZINC000014981038 524439326 /nfs/dbraw/zinc/43/93/26/524439326.db2.gz WYLHOTWECYDJRH-UHFFFAOYSA-N 1 0 497.639 5.243 50 0 JKAARO Cc1ccc(C[NH+]2CCC([C@@H](Cc3ccc(F)cc3F)N(C)C(=O)c3ccco3)CC2)cc1 ZINC000014878738 524440774 /nfs/dbraw/zinc/44/07/74/524440774.db2.gz SIPVJJDZDRRDPV-RUZDIDTESA-N 1 0 452.545 5.462 50 0 JKAARO COc1ccccc1C[NH+]1CCC(c2nnc(SCc3ccc(F)cc3)n2C[C@H]2CCCO2)CC1 ZINC000014959538 524449304 /nfs/dbraw/zinc/44/93/04/524449304.db2.gz REQFJVOBMCHQPH-XMMPIXPASA-N 1 0 496.652 5.277 50 0 JKAARO Cc1cccc(Cn2c(C[NH+]3CCC(C(=O)NCc4cccs4)CC3)cc3ccccc32)c1 ZINC000046055897 524491694 /nfs/dbraw/zinc/49/16/94/524491694.db2.gz BGFXGJRZFZLPIA-UHFFFAOYSA-N 1 0 457.643 5.588 50 0 JKAARO COc1ccccc1N1CC[NH+](CC[C@H](Oc2ccc(F)c(Cl)c2)c2cccc(F)c2)CC1 ZINC000034727736 524553180 /nfs/dbraw/zinc/55/31/80/524553180.db2.gz BIIVIUYJNDILFZ-VWLOTQADSA-N 1 0 472.963 5.959 50 0 JKAARO COc1ccccc1NC(=O)c1cc2cc(C3(O)CC[NH+](Cc4ccc(C)o4)CC3)ccc2o1 ZINC000014984306 524626622 /nfs/dbraw/zinc/62/66/22/524626622.db2.gz LXDQSKOVLPWXMR-UHFFFAOYSA-N 1 0 460.530 5.079 50 0 JKAARO C[C@@H](CNC(=O)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccc(F)cc2)CC1)c1ccccc1 ZINC000046055960 524644687 /nfs/dbraw/zinc/64/46/87/524644687.db2.gz ZOWCHPCNUWGJIA-QHCPKHFHSA-N 1 0 483.631 5.961 50 0 JKAARO C[C@@H](CNC(=O)COc1ccc(-c2nc3ccccc3s2)cc1C[NH+](C)C)c1ccccc1 ZINC000012279599 524653845 /nfs/dbraw/zinc/65/38/45/524653845.db2.gz MPTNVOOZNNYLAF-IBGZPJMESA-N 1 0 459.615 5.324 50 0 JKAARO COc1ccccc1Oc1c(C[N@H+](C[C@H](O)COCC(C)C)CC2CC2)c(C)nn1-c1ccccc1 ZINC000036302288 524694903 /nfs/dbraw/zinc/69/49/03/524694903.db2.gz BGUNCXQIINEQBR-VWLOTQADSA-N 1 0 493.648 5.227 50 0 JKAARO COc1ccccc1Oc1c(C[N@H+](C[C@@H](O)Cc2ccccc2)C2CC2)c(C)nn1-c1ccccc1 ZINC000036302115 524695710 /nfs/dbraw/zinc/69/57/10/524695710.db2.gz HSWHGPMTPQKIRN-SANMLTNESA-N 1 0 483.612 5.550 50 0 JKAARO Cc1ccc(Cn2c(C[NH+]3CCC(C(=O)NCc4ccc(F)cc4)CC3)cc3ccccc32)cc1 ZINC000045994234 524766327 /nfs/dbraw/zinc/76/63/27/524766327.db2.gz PVSVPUPIKSNCBG-UHFFFAOYSA-N 1 0 469.604 5.666 50 0 JKAARO Cc1ccc(Cn2cc([C@H](CC(=O)NCC[NH+]3CCCC3)c3ccc(F)cc3)c3ccccc32)cc1 ZINC000035504237 524773646 /nfs/dbraw/zinc/77/36/46/524773646.db2.gz MFAJRFPNAGTNTM-MUUNZHRXSA-N 1 0 483.631 5.871 50 0 JKAARO Cc1cccc(Oc2c(C[N@H+](C[C@@H](O)COC(C)(C)C)C3CC3)c(-c3ccccc3)nn2C)c1 ZINC000036306449 524782725 /nfs/dbraw/zinc/78/27/25/524782725.db2.gz SSOPDQPIXOHZDX-HSZRJFAPSA-N 1 0 463.622 5.328 50 0 JKAARO Cc1cccc(Oc2c(C[N@H+](C[C@H](O)COC(C)(C)C)CC3CC3)c(-c3ccccc3)nn2C)c1 ZINC000036306592 524784781 /nfs/dbraw/zinc/78/47/81/524784781.db2.gz MJQVEKTYVMKXDX-DEOSSOPVSA-N 1 0 477.649 5.576 50 0 JKAARO COc1ccccc1[C@H]1CN(C(=O)C2CCCC2)C[C@@H]1C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000034698546 524817650 /nfs/dbraw/zinc/81/76/50/524817650.db2.gz DYAUMHHBMBQVDP-XCZPVHLTSA-N 1 0 460.662 5.382 50 0 JKAARO Cc1ccc(F)c(O[C@@H](CC[NH+]2CCN(c3ccccc3Cl)CC2)c2ccccc2C)c1 ZINC000034726618 524834037 /nfs/dbraw/zinc/83/40/37/524834037.db2.gz JBUZPIQZJDNYJB-SANMLTNESA-N 1 0 453.001 6.428 50 0 JKAARO Cc1cccc([C@@H]2CCC[N@@H+](C3CCN(c4ccc(C(=O)NCc5cccnc5)cc4)CC3)C2)c1 ZINC000014881757 524842116 /nfs/dbraw/zinc/84/21/16/524842116.db2.gz JQIXPBKIRGSKMY-HHHXNRCGSA-N 1 0 468.645 5.168 50 0 JKAARO C[C@H](NC(=O)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccc(F)cc2)CC1)c1ccccc1 ZINC000046055942 524912775 /nfs/dbraw/zinc/91/27/75/524912775.db2.gz STHOXZPFXKVMDO-QFIPXVFZSA-N 1 0 469.604 5.918 50 0 JKAARO COc1ccc(Oc2c(C[N@H+](C[C@@H](O)COC(C)(C)C)C(C)C)c(-c3ccccc3)nn2C)cc1 ZINC000036306121 524989971 /nfs/dbraw/zinc/98/99/71/524989971.db2.gz VRLDTLHZHNLWME-JOCHJYFZSA-N 1 0 481.637 5.274 50 0 JKAARO COc1ccc(Oc2c(C[N@H+](C[C@H](O)Cc3ccccc3)C3CC3)c(C)nn2-c2ccccc2)cc1 ZINC000036304482 524991689 /nfs/dbraw/zinc/99/16/89/524991689.db2.gz FPLLPNNEDIOGTQ-AREMUKBSSA-N 1 0 483.612 5.550 50 0 JKAARO Cc1ccc(NC(=O)C2CC[NH+](C3CCN(C(=O)c4ccc(C(C)(C)C)cc4)CC3)CC2)cc1 ZINC000034912129 525026219 /nfs/dbraw/zinc/02/62/19/525026219.db2.gz RBUOSCUZHYUTFZ-UHFFFAOYSA-N 1 0 461.650 5.248 50 0 JKAARO Cc1ccc(NC(=O)C2CC[NH+](Cc3cc4ccccc4n3Cc3cccc(F)c3)CC2)c(Cl)c1 ZINC000046056028 525027425 /nfs/dbraw/zinc/02/74/25/525027425.db2.gz ZDKGTNDFOHGMBG-UHFFFAOYSA-N 1 0 490.022 6.641 50 0 JKAARO Cc1ccccc1/C=C1\Sc2ccc(C(=O)NCCC[NH+]3C[C@@H](C)C[C@H](C)C3)cc2N(C)C1=O ZINC000020180153 525040211 /nfs/dbraw/zinc/04/02/11/525040211.db2.gz GXZSORODJPBZCV-OLAKLOBFSA-N 1 0 477.674 5.202 50 0 JKAARO Cc1ccc(NC(=O)CSC2=NC3(CC[NH+](C)CC3)N=C2c2ccc(C(C)(C)C)cc2)c(C)c1 ZINC000045912729 525072409 /nfs/dbraw/zinc/07/24/09/525072409.db2.gz SUHKIHOJPZVWTB-UHFFFAOYSA-N 1 0 476.690 5.596 50 0 JKAARO Cc1cc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)n2ncc(-c3ccccc3)c2n1 ZINC000020480012 525078444 /nfs/dbraw/zinc/07/84/44/525078444.db2.gz JKDNVHLPRFNSDC-UHFFFAOYSA-N 1 0 459.597 5.616 50 0 JKAARO Cc1cc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)n2ncc(-c3ccc(Cl)cc3)c2n1 ZINC000020503724 525078709 /nfs/dbraw/zinc/07/87/09/525078709.db2.gz KDXCJYIZRNHFQH-UHFFFAOYSA-N 1 0 494.042 6.270 50 0 JKAARO Cc1ccccc1C1=NO[C@@H](C[N@@H+](Cc2cccc(Cl)c2)C[C@H](O)COCc2ccccc2)C1 ZINC000036145793 525085505 /nfs/dbraw/zinc/08/55/05/525085505.db2.gz OVTBGHDYMHFNQI-IZZNHLLZSA-N 1 0 479.020 5.221 50 0 JKAARO Cc1ccc(NC(=O)Cn2cc(-c3nnc(C[NH+]4CCC(C)CC4)o3)c3ccccc32)cc1C ZINC000033129375 525104464 /nfs/dbraw/zinc/10/44/64/525104464.db2.gz QTUFYUJEGAXCOY-UHFFFAOYSA-N 1 0 457.578 5.179 50 0 JKAARO Cc1ccccc1C[N@H+](Cc1ccc(C(O)(c2cccc(F)c2)c2cccc(F)c2)o1)C1CC1 ZINC000036203295 525130122 /nfs/dbraw/zinc/13/01/22/525130122.db2.gz IVKSVKQWJPEHKS-UHFFFAOYSA-N 1 0 459.536 6.315 50 0 JKAARO COc1ccc([C@@H](CNC(=O)c2oc3cc(Br)ccc3c2C)[NH+]2CCCCC2)cc1 ZINC000008613386 525186560 /nfs/dbraw/zinc/18/65/60/525186560.db2.gz KQSUABYXRZXKAW-OAQYLSRUSA-N 1 0 471.395 5.469 50 0 JKAARO Cc1ccccc1Cn1c(C[NH+]2CCC(C(=O)NCCc3ccco3)CC2)cc2ccccc21 ZINC000046055846 525209154 /nfs/dbraw/zinc/20/91/54/525209154.db2.gz SBWFLLNHEDAOSC-UHFFFAOYSA-N 1 0 455.602 5.162 50 0 JKAARO Cc1ccccc1Cn1c(C[NH+]2CCC(C(=O)N[C@@H]3CCCc4ccccc43)CC2)cc2ccccc21 ZINC000046055806 525209564 /nfs/dbraw/zinc/20/95/64/525209564.db2.gz FDMZKHLOAIDPGW-WJOKGBTCSA-N 1 0 491.679 6.404 50 0 JKAARO Cc1ccc(NC(=S)NCCC[NH+]2CCN(c3cc(Cl)ccc3C)CC2)c(Cl)c1 ZINC000004791819 525266928 /nfs/dbraw/zinc/26/69/28/525266928.db2.gz MQVCQPKZCAXNRD-UHFFFAOYSA-N 1 0 451.467 5.109 50 0 JKAARO COc1ccc([C@H](NC(=O)C[NH2+][C@H](C)c2ccc(Br)cc2)c2ccccc2)cc1 ZINC000014095127 525365182 /nfs/dbraw/zinc/36/51/82/525365182.db2.gz TWYOVEKATKSKIA-MZNJEOGPSA-N 1 0 453.380 5.014 50 0 JKAARO Cc1ccc(OC[C@H]2c3ccsc3CCN2C(=O)C[N@@H+](C[C@H](O)c2ccccc2)C(C)C)cc1 ZINC000036309532 525440738 /nfs/dbraw/zinc/44/07/38/525440738.db2.gz FTHUOKLLJSABJL-UIOOFZCWSA-N 1 0 478.658 5.005 50 0 JKAARO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@H]3c1ccc(OC)c(CSc2nnc(-c3ccccc3)o2)c1 ZINC000020375449 525486533 /nfs/dbraw/zinc/48/65/33/525486533.db2.gz XBBYHSNKDURWIU-VWLOTQADSA-N 1 0 498.608 5.763 50 0 biogenic JKAARO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@H]3c1ccc(OCc2ccc(Cl)c(Cl)c2)c(OC)c1 ZINC000012371479 525486765 /nfs/dbraw/zinc/48/67/65/525486765.db2.gz ACFGEGUNKPSTBY-RUZDIDTESA-N 1 0 483.395 6.306 50 0 JKAARO Cc1c(C(=O)N2CC[NH+](C3CCCCC3)CC2)oc2c1-c1nn(Cc3ccc(Cl)cc3)cc1CC2 ZINC000020490111 525582466 /nfs/dbraw/zinc/58/24/66/525582466.db2.gz NNJCXOUAFVYZBX-UHFFFAOYSA-N 1 0 493.051 5.342 50 0 JKAARO Cc1c(C(=O)N2CC[NH+](C3CCCCC3)CC2)oc2c1-c1nn(Cc3cccc(Cl)c3)cc1CC2 ZINC000020490193 525582907 /nfs/dbraw/zinc/58/29/07/525582907.db2.gz KPDGXUIUMXOBAF-UHFFFAOYSA-N 1 0 493.051 5.342 50 0 JKAARO COc1ccc2c(c1)[nH]c(C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1)c2Sc1ccccc1 ZINC000020466795 525597587 /nfs/dbraw/zinc/59/75/87/525597587.db2.gz IDZCMURIEJQXDX-OALUTQOASA-N 1 0 451.636 5.426 50 0 JKAARO COc1cccc(-n2c(SC[C@@H]3CCCO3)nnc2C2CC[NH+](Cc3ccc(F)cc3)CC2)c1 ZINC000014982399 525748234 /nfs/dbraw/zinc/74/82/34/525748234.db2.gz ZOEVAJITSFTOHX-DEOSSOPVSA-N 1 0 482.625 5.066 50 0 JKAARO COc1cccc(-n2c(SC[C@@H]3CCCO3)nnc2C2CC[NH+](Cc3ccccc3Cl)CC2)c1 ZINC000012242799 525748450 /nfs/dbraw/zinc/74/84/50/525748450.db2.gz ZXWBMSRADUTXLD-QHCPKHFHSA-N 1 0 499.080 5.580 50 0 JKAARO COc1cccc(-n2c(SC[C@H]3CCCO3)nnc2C2CC[NH+](Cc3ccc(F)cc3)CC2)c1 ZINC000014982401 525749327 /nfs/dbraw/zinc/74/93/27/525749327.db2.gz ZOEVAJITSFTOHX-XMMPIXPASA-N 1 0 482.625 5.066 50 0 JKAARO Cc1c(Cl)cccc1NC(=O)Cn1cc(-c2nnc(C[NH+]3CCC(C)CC3)o2)c2ccccc21 ZINC000033129371 525768744 /nfs/dbraw/zinc/76/87/44/525768744.db2.gz JEHHZQLMWROEMM-UHFFFAOYSA-N 1 0 477.996 5.524 50 0 JKAARO Cc1ccc(-c2csc3[nH]c(C[N@H+](C[C@H](O)COC(C)(C)C)C4CCCCC4)nc(=O)c23)cc1C ZINC000036205361 525784777 /nfs/dbraw/zinc/78/47/77/525784777.db2.gz WNPYMIJRHGFWPK-QFIPXVFZSA-N 1 0 497.705 5.579 50 0 JKAARO Cc1ccsc1C(=O)NCCCOc1cccc(C[NH+]2CCN(c3cccc(C)c3C)CC2)c1 ZINC000014973881 525823223 /nfs/dbraw/zinc/82/32/23/525823223.db2.gz WJWWFOPJJWBOSZ-UHFFFAOYSA-N 1 0 477.674 5.194 50 0 JKAARO Cc1ccc(-c2noc(CC[N@@H+](Cc3ccco3)C[C@H](O)COc3ccccc3C)n2)cc1Cl ZINC000036147838 525878424 /nfs/dbraw/zinc/87/84/24/525878424.db2.gz VSROSPJJAJHAHJ-NRFANRHFSA-N 1 0 481.980 5.084 50 0 JKAARO COc1cccc(C[N@H+](C[C@@H](O)COc2ccccc2C)C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)c1 ZINC000036146708 525920808 /nfs/dbraw/zinc/92/08/08/525920808.db2.gz JNOZFAKXYZWQKI-RSXGOPAZSA-N 1 0 495.019 5.092 50 0 JKAARO COc1cccc(C[NH+]2CCC(C(=O)N(CCc3ccccc3)Cc3ccccc3)CC2)c1OC ZINC000012285393 525931662 /nfs/dbraw/zinc/93/16/62/525931662.db2.gz HPTZLISEHNJSLI-UHFFFAOYSA-N 1 0 472.629 5.187 50 0 JKAARO COc1cccc(C[NH+]2CCC(c3nnc(SCc4ccc(F)cc4)n3C[C@H]3CCCO3)CC2)c1 ZINC000014879877 525936477 /nfs/dbraw/zinc/93/64/77/525936477.db2.gz ICICSMCXBVNPGM-RUZDIDTESA-N 1 0 496.652 5.277 50 0 JKAARO Cc1ccc(/C=C2/Sc3ccc(C(=O)NCCC[NH+]4C[C@@H](C)C[C@H](C)C4)cc3NC2=O)cc1 ZINC000020355266 525959978 /nfs/dbraw/zinc/95/99/78/525959978.db2.gz JWWONESRKYLGCZ-IKYHASTISA-N 1 0 463.647 5.178 50 0 JKAARO COc1cccc(CNC(=O)C2CC[NH+](Cc3cc4ccccc4n3Cc3cccc(F)c3)CC2)c1 ZINC000046056048 525963398 /nfs/dbraw/zinc/96/33/98/525963398.db2.gz CLXFLJYOUKHTCD-UHFFFAOYSA-N 1 0 485.603 5.366 50 0 JKAARO Cc1c2ccccc2oc1-c1nnc(C(=O)NCC2CC[NH+](Cc3ccc(Cl)cc3)CC2)o1 ZINC000085653620 525976837 /nfs/dbraw/zinc/97/68/37/525976837.db2.gz RZPZGKXKJNUYJF-UHFFFAOYSA-N 1 0 464.953 5.087 50 0 JKAARO Cc1c2ccccc2oc1-c1noc(C(=O)NCC2CC[NH+](Cc3cc(C)ccc3C)CC2)n1 ZINC000065009964 525976892 /nfs/dbraw/zinc/97/68/92/525976892.db2.gz RIVDOXCKCUYAOZ-UHFFFAOYSA-N 1 0 458.562 5.050 50 0 JKAARO Cc1c2ccccc2oc1-c1noc(C(=O)NCC2CC[NH+](Cc3ccc(Cl)cc3)CC2)n1 ZINC000065009935 525976948 /nfs/dbraw/zinc/97/69/48/525976948.db2.gz LFECEKXWCBFBAA-UHFFFAOYSA-N 1 0 464.953 5.087 50 0 JKAARO CSc1ccc(CNC(=O)C2CC[NH+](Cc3cc4ccccc4n3Cc3ccccc3)CC2)cc1 ZINC000046055471 525994327 /nfs/dbraw/zinc/99/43/27/525994327.db2.gz BWDOTWSFRKANOB-UHFFFAOYSA-N 1 0 483.681 5.940 50 0 JKAARO COc1cccc(C[NH2+]C2CCN(c3ccc(NC(=O)c4ccc(C)cc4C)cc3)CC2)c1OC ZINC000014975072 526012203 /nfs/dbraw/zinc/01/22/03/526012203.db2.gz QYZPDZIKZPIIBG-UHFFFAOYSA-N 1 0 473.617 5.332 50 0 JKAARO C[C@H](C(=O)NCCC[N@H+](C)C1CCCCC1)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000013369291 526044877 /nfs/dbraw/zinc/04/48/77/526044877.db2.gz SYZPWRURXBRPGX-LJQANCHMSA-N 1 0 453.030 5.689 50 0 JKAARO COc1cccc(C[C@@H](C2CC[NH+](Cc3c[nH]nc3-c3ccccc3)CC2)N(C)C(=O)c2ccco2)c1 ZINC000012338109 526072776 /nfs/dbraw/zinc/07/27/76/526072776.db2.gz UERXBCJOJBOZGC-MHZLTWQESA-N 1 0 498.627 5.274 50 0 JKAARO CSc1ccc2cc(CN(CC[NH+](C)C)C(=O)c3csc(C)n3)c(-c3cccs3)nc2c1 ZINC000014882687 526082625 /nfs/dbraw/zinc/08/26/25/526082625.db2.gz NQJMCNSDBQMFRH-UHFFFAOYSA-N 1 0 482.700 5.654 50 0 JKAARO 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/nfs/dbraw/zinc/13/01/05/527130105.db2.gz LSPXHSFDACRJPR-UHFFFAOYSA-N 1 0 453.995 5.206 50 0 JKAARO NC1=[NH+]C[C@H](CS[C@]23CCCC[C@@H]2[C@@H](c2ccccc2)C=C(c2ccccc2)S3)S1 ZINC000017293352 527138560 /nfs/dbraw/zinc/13/85/60/527138560.db2.gz JWDPJXKKWLZBTK-XAISMOLKSA-N 1 0 452.714 6.608 50 0 JKAARO O=C(Nc1ccc(Cl)cc1)c1cc2cc(C3(O)CC[NH+](Cc4cccs4)CC3)ccc2o1 ZINC000012455279 527182261 /nfs/dbraw/zinc/18/22/61/527182261.db2.gz MBRJVQTZBILLKV-UHFFFAOYSA-N 1 0 466.990 5.884 50 0 JKAARO O=C(Nc1ccc(F)cc1F)C1CC[NH+](Cc2cc3ccccc3n2Cc2cccc(Cl)c2)CC1 ZINC000046055593 527209065 /nfs/dbraw/zinc/20/90/65/527209065.db2.gz UWKQWGBLQPAWCW-UHFFFAOYSA-N 1 0 493.985 6.472 50 0 JKAARO O=S(=O)(N[C@@H]1CCCC[C@H]1[N@H+](Cc1ccco1)C1CCCCC1)c1ccc(Cl)cc1 ZINC000020441820 527236840 /nfs/dbraw/zinc/23/68/40/527236840.db2.gz ZTYVUZQQMXWRKW-DHIUTWEWSA-N 1 0 451.032 5.357 50 0 JKAARO O=C(Nc1cccc(N2CCC([NH2+]Cc3csc(Cc4ccccc4)n3)CC2)c1)c1ccncc1 ZINC000014997785 527356303 /nfs/dbraw/zinc/35/63/03/527356303.db2.gz UBZMWKAYLOLDBG-UHFFFAOYSA-N 1 0 483.641 5.140 50 0 JKAARO O=C(NC(=S)Nc1ccc(C[NH+]2CCCCC2)cc1)c1cccc(OCc2ccccc2)c1 ZINC000002870451 527459352 /nfs/dbraw/zinc/45/93/52/527459352.db2.gz WUHLJBQFJMHKAO-UHFFFAOYSA-N 1 0 459.615 5.378 50 0 JKAARO O=c1c2c3c(sc2ncn1CCCc1ccccc1)C[C@H]([NH2+]Cc1nc2ccccc2s1)CC3 ZINC000014878717 527460224 /nfs/dbraw/zinc/46/02/24/527460224.db2.gz DYKDSBLLBRTXIM-LJQANCHMSA-N 1 0 486.666 5.348 50 0 JKAARO OC(c1ccc(C[N@@H+](Cc2ccccc2)C[C@@H]2CCCO2)o1)(c1cccc(F)c1)c1cccc(F)c1 ZINC000036157311 527504376 /nfs/dbraw/zinc/50/43/76/527504376.db2.gz DFQVGTWRFDWZLE-MHZLTWQESA-N 1 0 489.562 6.023 50 0 JKAARO O=C(NC1CCCC1)[C@@H]1C[C@H](COc2cccc(C(F)(F)F)c2)C[N@@H+](Cc2ccccc2)C1 ZINC000014743983 527507777 /nfs/dbraw/zinc/50/77/77/527507777.db2.gz GYOWVUZXXNBLQQ-LEWJYISDSA-N 1 0 460.540 5.281 50 0 JKAARO O=C(NC1CCCCCC1)C1CC[NH+](Cc2cc3ccccc3n2Cc2cccc(Cl)c2)CC1 ZINC000046055589 527517850 /nfs/dbraw/zinc/51/78/50/527517850.db2.gz ZAXDCXZEGQXKCJ-UHFFFAOYSA-N 1 0 478.080 6.394 50 0 JKAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(Nc2ccc(-c3cccc(F)c3)nn2)cc1 ZINC000033257009 527530917 /nfs/dbraw/zinc/53/09/17/527530917.db2.gz FTBHIDBVAFIZMP-UHFFFAOYSA-N 1 0 481.575 5.421 50 0 JKAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cccc(Nc2ccc(-c3cccc(F)c3)nn2)c1 ZINC000033257996 527531713 /nfs/dbraw/zinc/53/17/13/527531713.db2.gz ZOSPISBNKGMNCE-UHFFFAOYSA-N 1 0 481.575 5.421 50 0 JKAARO Cn1nc(-c2ccccc2)c(C[N@H+](C[C@@H](O)COC(C)(C)C)CC2CC2)c1Oc1cccc(F)c1 ZINC000036307335 527536696 /nfs/dbraw/zinc/53/66/96/527536696.db2.gz QNMXQORYVFIWJA-HSZRJFAPSA-N 1 0 481.612 5.407 50 0 JKAARO Cn1nc(-c2ccccc2)c(C[N@H+](C[C@@H](O)COC(C)(C)C)CC2CC2)c1Oc1ccccc1F ZINC000036306885 527536903 /nfs/dbraw/zinc/53/69/03/527536903.db2.gz DDFMTUFLENFMDY-JOCHJYFZSA-N 1 0 481.612 5.407 50 0 JKAARO Cn1nc(-c2ccccc2)c(C[N@H+](C[C@H](O)COC(C)(C)C)C2CC2)c1Oc1cccc(F)c1 ZINC000036307126 527537850 /nfs/dbraw/zinc/53/78/50/527537850.db2.gz QGUWODFLHAKMQZ-QFIPXVFZSA-N 1 0 467.585 5.159 50 0 JKAARO Cn1nc(-c2ccccc2)c(C[N@H+](C[C@@H](O)Cc2ccccc2)C2CC2)c1Oc1ccc(Cl)cc1 ZINC000036305128 527538637 /nfs/dbraw/zinc/53/86/37/527538637.db2.gz IOBHMSHZMWQYCM-VWLOTQADSA-N 1 0 488.031 6.101 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@H+](C[C@@H](O)COc1ccccc1)CC1CC1 ZINC000036308657 527550010 /nfs/dbraw/zinc/55/00/10/527550010.db2.gz HTCWRRYMCLFPDM-AREMUKBSSA-N 1 0 483.612 5.625 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2ccccc2Cl)c1C[N@H+](C[C@H](O)COC(C)C)CC1CC1 ZINC000036303579 527550231 /nfs/dbraw/zinc/55/02/31/527550231.db2.gz RADPXSGCUBYGHE-QHCPKHFHSA-N 1 0 484.040 5.624 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2ccccc2Cl)c1C[N@H+](C[C@H](O)COCC(C)C)CC1CC1 ZINC000036303590 527550474 /nfs/dbraw/zinc/55/04/74/527550474.db2.gz RNZFMONFRWAKSP-DEOSSOPVSA-N 1 0 498.067 5.872 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1C[N@H+](C[C@H](O)COC(C)(C)C)CC1CC1 ZINC000036304919 527550965 /nfs/dbraw/zinc/55/09/65/527550965.db2.gz YXADIAHPMVHFAV-VWLOTQADSA-N 1 0 477.649 5.669 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1C[N@H+](C[C@@H](O)Cc1ccccc1)C1CC1 ZINC000036304799 527551014 /nfs/dbraw/zinc/55/10/14/527551014.db2.gz LTDMMPARNXPNNL-MHZLTWQESA-N 1 0 467.613 5.849 50 0 JKAARO O=C(NCCC1=CCCCC1)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccccc2Cl)CC1 ZINC000046055729 527622334 /nfs/dbraw/zinc/62/23/34/527622334.db2.gz WYBJXCQCENIQSK-UHFFFAOYSA-N 1 0 490.091 6.562 50 0 JKAARO O=C(NCCC[N@H+](CCc1ccccc1)Cc1ccco1)c1sc2ncccc2c1-n1cccc1 ZINC000033059886 527658083 /nfs/dbraw/zinc/65/80/83/527658083.db2.gz KEDSBBFRQDPRJB-UHFFFAOYSA-N 1 0 484.625 5.545 50 0 JKAARO O=C(NCCC[NH+]1CCCCC1)c1ccc(Oc2nccnc2Sc2ccc(Cl)cc2)cc1 ZINC000033139907 527664437 /nfs/dbraw/zinc/66/44/37/527664437.db2.gz ZRKCOPCMVZBCKM-UHFFFAOYSA-N 1 0 483.037 5.679 50 0 JKAARO COc1ccccc1CCNC(=O)[C@H]1C[C@@H](c2ccc(F)c(C)c2)C[N@H+](Cc2ccccc2Cl)C1 ZINC000096247532 537038046 /nfs/dbraw/zinc/03/80/46/537038046.db2.gz OSKHREIGMMQWBW-RPBOFIJWSA-N 1 0 495.038 5.761 50 0 JKAARO O[C@H](Cn1c2ccc(Br)cc2c2cc(Br)ccc21)C[NH+]1CCCCCC1 ZINC000000642144 553724187 /nfs/dbraw/zinc/72/41/87/553724187.db2.gz ZIOYWGCSOXUXSD-KRWDZBQOSA-N 1 0 480.244 5.556 50 0 JKAARO O=C(C[C@H](c1cn(Cc2ccccc2)c2ccccc12)c1ccc(F)cc1)NCC[NH+]1CCCCC1 ZINC000000695353 553759932 /nfs/dbraw/zinc/75/99/32/553759932.db2.gz WJGDRKVFAYHXMM-NDEPHWFRSA-N 1 0 483.631 5.953 50 0 JKAARO CCCC[NH+](CCCC)C[C@H](O)c1cc(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cc12 ZINC000001587067 553979788 /nfs/dbraw/zinc/97/97/88/553979788.db2.gz YUZOLQMLSSEUPF-DEOSSOPVSA-N 1 0 479.879 7.798 50 0 JKAARO Cc1cc(C)cc(Oc2coc3cc(OC[C@H](O)C[N@@H+](C)Cc4ccccc4)ccc3c2=O)c1 ZINC000001810997 553992236 /nfs/dbraw/zinc/99/22/36/553992236.db2.gz WSVWAQVQGFAFDK-JOCHJYFZSA-N 1 0 459.542 5.074 50 0 JKAARO O[C@@H](C[NH2+]CCc1ccccc1)Cn1c(-c2ccccc2)c(-c2ccccc2)c2ccc3ccccc3c21 ZINC000002083341 554028778 /nfs/dbraw/zinc/02/87/78/554028778.db2.gz LCZAKHYINOYIQQ-PMERELPUSA-N 1 0 496.654 7.322 50 0 JKAARO Cc1cc2c(-c3ccccc3)c(-c3ccccc3)n(C[C@@H](O)C[NH2+]Cc3ccccc3)c2c(C)c1 ZINC000002083394 554028834 /nfs/dbraw/zinc/02/88/34/554028834.db2.gz KCUNRRRNZPJVQM-NDEPHWFRSA-N 1 0 460.621 6.743 50 0 JKAARO COc1ccc([C@H]2[NH2+]CCc3c4ccccc4[nH]c32)cc1COc1ccc(Br)cc1 ZINC000002087459 554032878 /nfs/dbraw/zinc/03/28/78/554032878.db2.gz ZNCJKDGFKMHECW-XMMPIXPASA-N 1 0 463.375 5.753 50 0 biogenic JKAARO O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)c1cccc(COc2ccc(Br)cc2)c1 ZINC000002112708 554051206 /nfs/dbraw/zinc/05/12/06/554051206.db2.gz JERGSIUBSIEOAR-UHFFFAOYSA-N 1 0 479.418 6.266 50 0 JKAARO Cc1nn2c(nc(C)c(Cc3ccccc3)c2N2CC[NH+](C3CCCC3)CC2)c1-c1ccccc1 ZINC000002238840 554108727 /nfs/dbraw/zinc/10/87/27/554108727.db2.gz FGKVBQLOWLCDCB-UHFFFAOYSA-N 1 0 465.645 5.669 50 0 JKAARO CC[NH+](CC)CCN1C(=O)c2ccccc2N[C@H]1c1ccc(OC)c(COc2ccc(F)cc2)c1 ZINC000002293801 554136838 /nfs/dbraw/zinc/13/68/38/554136838.db2.gz DROKJTPRZBKCDA-HHHXNRCGSA-N 1 0 477.580 5.322 50 0 JKAARO CC[C@@H](CO)[NH2+]C[C@@H](O)Cn1c(-c2ccccc2)c(-c2ccccc2)c2ccc3ccccc3c21 ZINC000002299200 554138701 /nfs/dbraw/zinc/13/87/01/554138701.db2.gz SZVATVYGKIYYSJ-IZZNHLLZSA-N 1 0 464.609 5.850 50 0 JKAARO O[C@H](C[NH2+]Cc1ccccc1)Cn1c2c(ccc3ccccc23)c(-c2ccccc2)c1-c1ccccc1 ZINC000002299924 554138891 /nfs/dbraw/zinc/13/88/91/554138891.db2.gz XAVUNDRLMSCTFC-GDLZYMKVSA-N 1 0 482.627 7.279 50 0 JKAARO Cc1nn2c(nc3c(c2N2CC[NH+](Cc4ccc(C)cc4C)CC2)CCCC3)c1-c1ccccc1 ZINC000002327824 554150123 /nfs/dbraw/zinc/15/01/23/554150123.db2.gz YBGBEOFHVGKLKL-UHFFFAOYSA-N 1 0 465.645 5.523 50 0 JKAARO Cc1ccc(C[NH+]2CCN(c3cc(C(C)(C)C)nc4c(-c5ccccc5)cnn43)CC2)c(C)c1 ZINC000002334838 554153101 /nfs/dbraw/zinc/15/31/01/554153101.db2.gz SQJFBHSYTMMRNZ-UHFFFAOYSA-N 1 0 453.634 5.633 50 0 JKAARO Cc1nn2c(nc(C(C)(C)C)cc2N2CC[NH+](Cc3ccc(C)cc3C)CC2)c1-c1ccccc1 ZINC000002402414 554186582 /nfs/dbraw/zinc/18/65/82/554186582.db2.gz ZJWCUQCEZZOVHQ-UHFFFAOYSA-N 1 0 467.661 5.941 50 0 JKAARO FC(F)(F)c1cccc(-n2cc(-c3ccc(Br)cc3)[n+]3c2CCc2ccccc2-3)c1 ZINC000002597909 554240201 /nfs/dbraw/zinc/24/02/01/554240201.db2.gz ZFXNQQVYOCGMIH-UHFFFAOYSA-N 1 0 470.312 6.301 50 0 JKAARO O[C@H](COc1c(Cl)cccc1Cl)C[NH+]1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 ZINC000002624230 554248182 /nfs/dbraw/zinc/24/81/82/554248182.db2.gz USAYHOLINZCYHF-QHCPKHFHSA-N 1 0 486.439 5.381 50 0 JKAARO COc1ccc([C@@H]2[NH2+]C[C@H](c3ccccc3)c3c4ccccc4[nH]c32)cc1OCc1ccccc1 ZINC000002624967 554248729 /nfs/dbraw/zinc/24/87/29/554248729.db2.gz KWRPUAOQVCRDMV-RNAHPLFWSA-N 1 0 460.577 6.580 50 0 JKAARO COc1cc2[nH+]cc(C(=O)c3ccc(C)cc3)c(N3CCN(c4ccc(F)cc4)CC3)c2cc1OC ZINC000002694461 554291835 /nfs/dbraw/zinc/29/18/35/554291835.db2.gz VHIGYYQQFAHKBA-UHFFFAOYSA-N 1 0 485.559 5.257 50 0 JKAARO O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(COc2c(Cl)cc(Cl)cc2Cl)o1 ZINC000002782901 554342709 /nfs/dbraw/zinc/34/27/09/554342709.db2.gz VSFBUUUJOCYWJK-UHFFFAOYSA-N 1 0 493.818 7.057 50 0 JKAARO CC[NH+](CC)CCCN1C(=S)N=NC1c1cccc(COc2cccc(Br)c2)c1 ZINC000002793437 554348928 /nfs/dbraw/zinc/34/89/28/554348928.db2.gz IUNZUAAUCJEPCH-UHFFFAOYSA-N 1 0 475.456 5.307 50 0 JKAARO CC[NH+](CC)CCCN1C(=S)N=NC1c1cccc(COc2ccc(Br)cc2)c1 ZINC000002793565 554349198 /nfs/dbraw/zinc/34/91/98/554349198.db2.gz CNRIBRSINWTKJN-UHFFFAOYSA-N 1 0 475.456 5.307 50 0 JKAARO CCn1cc(-c2cc(C(=O)Nc3nc4ccccc4n3CC[NH+](CC)CC)c3ccccc3n2)c(C)n1 ZINC000002804816 554355542 /nfs/dbraw/zinc/35/55/42/554355542.db2.gz DCUQUXMYFGOAKT-UHFFFAOYSA-N 1 0 495.631 5.370 50 0 JKAARO COc1ccc([C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)cc1CSc1nc2ccccc2s1 ZINC000002817963 554363241 /nfs/dbraw/zinc/36/32/41/554363241.db2.gz JVPASSGUXNKSTF-DEOSSOPVSA-N 1 0 457.624 6.314 50 0 biogenic JKAARO CCCC[NH2+]Cc1cc(Br)c(OCC(=O)Nc2cccc(C(F)(F)F)c2)c(OC)c1 ZINC000002863772 554390290 /nfs/dbraw/zinc/39/02/90/554390290.db2.gz XTBCVZVRNZDHOC-UHFFFAOYSA-N 1 0 489.332 5.384 50 0 JKAARO CC[NH+](CC)CCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@@H]1c1ccc(Cl)cc1 ZINC000002890290 554408745 /nfs/dbraw/zinc/40/87/45/554408745.db2.gz MLMPJGYIKGOYMP-NRFANRHFSA-N 1 0 459.373 5.377 50 0 JKAARO CC[NH+](CC)CCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2[C@@H]1c1ccc(Cl)cc1 ZINC000002890378 554409097 /nfs/dbraw/zinc/40/90/97/554409097.db2.gz HUMYQGFWOOGUJS-FQEVSTJZSA-N 1 0 489.797 5.096 50 0 JKAARO CC[NH+](CC)CC(=O)N(Cc1ccccc1)c1nc(-c2ccc(C3CCCCC3)cc2)cs1 ZINC000003218387 554432241 /nfs/dbraw/zinc/43/22/41/554432241.db2.gz FCSPMJBPUUGPTL-UHFFFAOYSA-N 1 0 461.675 6.733 50 0 JKAARO CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc32)cc1 ZINC000003217929 554432250 /nfs/dbraw/zinc/43/22/50/554432250.db2.gz DXFAJLTYSHJCGR-UHFFFAOYSA-N 1 0 481.596 5.961 50 0 JKAARO O=C(c1sc2cc(Cl)ccc2c1Cl)N(c1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000003281329 554442050 /nfs/dbraw/zinc/44/20/50/554442050.db2.gz QYJRIQORRZLRBG-UHFFFAOYSA-N 1 0 495.475 7.520 50 0 JKAARO COc1cc(C[N@H+](C)C[C@@H](O)COc2ccc(C(C)(C)c3ccccc3)cc2)ccc1OC(F)F ZINC000003365972 554459153 /nfs/dbraw/zinc/45/91/53/554459153.db2.gz FHPMXPBEPCULGG-HSZRJFAPSA-N 1 0 485.571 5.494 50 0 JKAARO [NH3+]C(c1ccc(-c2ccccc2)cc1)(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000004552074 554478673 /nfs/dbraw/zinc/47/86/73/554478673.db2.gz ALRBIXSPEBFRJH-UHFFFAOYSA-N 1 0 487.646 8.938 50 0 JKAARO CCCCCC[NH+](CCCCCC)C[C@@H](O)c1cc(-c2ccc(Cl)cc2)nc2c(C)cc(C)cc12 ZINC000005946147 554497175 /nfs/dbraw/zinc/49/71/75/554497175.db2.gz REJJTMLSIWBWAU-SSEXGKCCSA-N 1 0 495.151 8.668 50 0 JKAARO Cc1sc(NC(=O)c2ccco2)c([C@@H](c2cccnc2)[NH+]2CCC(Cc3ccccc3)CC2)c1C ZINC000006144651 554510249 /nfs/dbraw/zinc/51/02/49/554510249.db2.gz QYUQRGXIYNUYLQ-HHHXNRCGSA-N 1 0 485.653 6.649 50 0 JKAARO COc1ccc(CN(CC[C@]2(Cc3ccccc3)C[C@H](C)[N@H+](C)C[C@H]2C)C(C)=O)cc1OC ZINC000008398725 554573705 /nfs/dbraw/zinc/57/37/05/554573705.db2.gz QMYJRGWDZJUCJC-RZIGYZOXSA-N 1 0 452.639 5.032 50 0 JKAARO Cc1cc2c(-c3ccccc3)c(-c3ccccc3)n(C[C@@H](O)C[NH2+]C3CCCCC3)c2c(C)c1 ZINC000008432029 554585074 /nfs/dbraw/zinc/58/50/74/554585074.db2.gz DFYDAKVMJHWJEW-MHZLTWQESA-N 1 0 452.642 6.875 50 0 JKAARO COc1ccc([C@H]2[NH2+]CCc3c4ccccc4[nH]c32)cc1CSc1nc2ccccc2s1 ZINC000008432241 554585245 /nfs/dbraw/zinc/58/52/45/554585245.db2.gz JVPASSGUXNKSTF-XMMPIXPASA-N 1 0 457.624 6.314 50 0 biogenic JKAARO COc1ccc([C@H]2[NH2+]CCc3c4ccccc4[nH]c32)cc1COc1ccc(Cl)cc1Cl ZINC000008432242 554585344 /nfs/dbraw/zinc/58/53/44/554585344.db2.gz WEPZEJUWJSBNOL-XMMPIXPASA-N 1 0 453.369 6.297 50 0 JKAARO COc1ccc([C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)cc1COc1ccc(Cl)cc1Cl ZINC000008432243 554585689 /nfs/dbraw/zinc/58/56/89/554585689.db2.gz WEPZEJUWJSBNOL-DEOSSOPVSA-N 1 0 453.369 6.297 50 0 JKAARO COc1cc(C[NH2+]C23CC4CC(CC(C4)C2)C3)cc(Br)c1OCc1ccccc1F ZINC000008443455 554593101 /nfs/dbraw/zinc/59/31/01/554593101.db2.gz IEHIDAYYFCUMSQ-UHFFFAOYSA-N 1 0 474.414 6.234 50 0 JKAARO COc1ccc(Nc2cc(C(=O)NCCC[N@H+](C)Cc3ccccc3)c3ccccc3n2)cc1OC ZINC000008583448 554601282 /nfs/dbraw/zinc/60/12/82/554601282.db2.gz POXZVNNFOAVHQN-UHFFFAOYSA-N 1 0 484.600 5.248 50 0 JKAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(Sc2cccc(Cl)c2)nc2ccccc21 ZINC000008583382 554601301 /nfs/dbraw/zinc/60/13/01/554601301.db2.gz DQMHAAUMURCDSO-GOSISDBHSA-N 1 0 454.039 6.034 50 0 JKAARO CSc1nc2c(sc3nc(-c4ccccc4)c4c(c32)CC(C)(C)OC4)c(NCC[NH+](C)C)n1 ZINC000008739126 554640901 /nfs/dbraw/zinc/64/09/01/554640901.db2.gz INVCYRITQQTHGN-UHFFFAOYSA-N 1 0 479.675 5.453 50 0 JKAARO COc1ccc(-c2csc(N3[NH2+]C(C=Cc4ccccc4O)=C[C@@]3(O)C(F)(F)F)n2)cc1 ZINC000008753973 554655637 /nfs/dbraw/zinc/65/56/37/554655637.db2.gz GQSJJJRUCAJTKI-VHTFYLNKSA-N 1 0 461.465 5.055 50 0 JKAARO COc1ccc(OCc2n(C)c3ccccc3[n+]2CC(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)cc1 ZINC000008763979 554664470 /nfs/dbraw/zinc/66/44/70/554664470.db2.gz YBINXMKLOILQMU-UVWWXKGLSA-N 1 0 465.614 5.057 50 0 biogenic JKAARO COc1cc2c(c(OC)c1)C(=O)O[C@@H](C)CCC[C@@H]([NH2+]CCc1ccccc1)CCC/C=C/2 ZINC000008791791 554685124 /nfs/dbraw/zinc/68/51/24/554685124.db2.gz KMRHQMFLUGSDOX-DNSLDXRJSA-N 1 0 451.607 5.817 50 0 JKAARO CC(=O)Nc1cc(C(=O)NCCC[NH+](CC(C)C)CC(C)C)ccc1Sc1ccc(Cl)cc1 ZINC000008811385 554692506 /nfs/dbraw/zinc/69/25/06/554692506.db2.gz XXCXQHZMHJXSFU-UHFFFAOYSA-N 1 0 490.113 6.184 50 0 JKAARO CC(=O)Nc1cc(C(=O)NCC[NH+](CC(C)C)CC(C)C)ccc1Sc1ccc(Cl)cc1 ZINC000008811369 554692555 /nfs/dbraw/zinc/69/25/55/554692555.db2.gz ZWQBGRRNIAESTK-UHFFFAOYSA-N 1 0 476.086 5.793 50 0 JKAARO O=C(Nc1ccc(Cl)c(Cl)c1)Nc1cc(C(=O)NCCC[NH+]2CCCCC2)ccc1Cl ZINC000008812022 554693145 /nfs/dbraw/zinc/69/31/45/554693145.db2.gz RLLARERMXNBNJV-UHFFFAOYSA-N 1 0 483.827 5.897 50 0 JKAARO CCCC[N@H+](CCCNC(=O)c1cc(Nc2ccccc2)nc2ccccc21)Cc1ccccc1 ZINC000008813137 554695298 /nfs/dbraw/zinc/69/52/98/554695298.db2.gz VXABHMRJKDENCY-UHFFFAOYSA-N 1 0 466.629 6.401 50 0 JKAARO CC1=Nc2cc(C(=O)NCC[N@@H+](C)Cc3ccccc3)ccc2Sc2ccc(Cl)cc21 ZINC000008813228 554695316 /nfs/dbraw/zinc/69/53/16/554695316.db2.gz AIVWUXMQXXGXJM-UHFFFAOYSA-N 1 0 450.007 5.807 50 0 JKAARO O=C(NCCC[NH+]1CCC(Cc2ccccc2)CC1)c1ccc2c(c1)ncn2C1CCCCC1 ZINC000008813649 554696003 /nfs/dbraw/zinc/69/60/03/554696003.db2.gz ZVVXRTCRPUUGMX-UHFFFAOYSA-N 1 0 458.650 5.616 50 0 JKAARO CCC[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccc(C)cc3)=NN12 ZINC000008817424 554700125 /nfs/dbraw/zinc/70/01/25/554700125.db2.gz OUZXEMJJARTDEQ-QFIPXVFZSA-N 1 0 454.412 5.503 50 0 JKAARO CCOC(=O)C1(c2ccccc2)CC[NH+](CCC(=O)Nc2ccc(OCc3ccccc3)cc2)CC1 ZINC000008826730 554716514 /nfs/dbraw/zinc/71/65/14/554716514.db2.gz ZEZDQIYIZDLRBN-UHFFFAOYSA-N 1 0 486.612 5.191 50 0 JKAARO COc1cccc2sc(N(CCC[NH+](C)C)C(=O)c3sc4ccccc4c3Cl)nc21 ZINC000008830337 554720064 /nfs/dbraw/zinc/72/00/64/554720064.db2.gz HVSPWFLNYUPLJA-UHFFFAOYSA-N 1 0 460.024 5.772 50 0 JKAARO CC[NH+](CC)CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000008867308 554761149 /nfs/dbraw/zinc/76/11/49/554761149.db2.gz HGENVHOJUWMFOK-RUZDIDTESA-N 1 0 467.573 5.152 50 0 JKAARO COc1ccc([C@H](CN2C(=O)[C@@H](C)S[C@@H]2c2ccc(Br)s2)[NH+]2CCCC2)cc1 ZINC000008881271 554776498 /nfs/dbraw/zinc/77/64/98/554776498.db2.gz XEJIPRBVPNAAKE-DAESXHAQSA-N 1 0 481.481 5.319 50 0 JKAARO Cc1ccc(NC(=O)C2CC[NH+](Cc3cnn(-c4ccccc4)c3-n3cccc3)CC2)c(C)c1 ZINC000008911561 554800514 /nfs/dbraw/zinc/80/05/14/554800514.db2.gz JWEWUQZVYBBBMN-UHFFFAOYSA-N 1 0 453.590 5.131 50 0 JKAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(CSc2nc3ccncc3n2Cc2ccccc2C)cc1 ZINC000008911871 554801215 /nfs/dbraw/zinc/80/12/15/554801215.db2.gz CILFLTMCNNWMSU-RUZDIDTESA-N 1 0 499.684 5.294 50 0 JKAARO CCCC[N@H+](C)CCCNC(=O)c1ccc2c(c1)sc1nc(-c3ccc(OCC)cc3)cn21 ZINC000008911912 554801376 /nfs/dbraw/zinc/80/13/76/554801376.db2.gz YAICVEBJLPOROU-UHFFFAOYSA-N 1 0 464.635 5.467 50 0 JKAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(Cn2c3cnccc3nc2SCc2ccc(C)cc2)cc1 ZINC000008911936 554801411 /nfs/dbraw/zinc/80/14/11/554801411.db2.gz NTEKXBYXGLDZIF-VWLOTQADSA-N 1 0 499.684 5.294 50 0 JKAARO O=C(NCCC[NH+]1CCCCC1)c1ccc(Cn2c3cnccc3nc2SCc2ccccc2)cc1 ZINC000008911967 554801473 /nfs/dbraw/zinc/80/14/73/554801473.db2.gz NXIYAEYRTDOPMT-UHFFFAOYSA-N 1 0 499.684 5.378 50 0 JKAARO O=C(NCC[NH+]1CCCCCC1)c1ccc(Cn2c(SCc3ccccc3)nc3cccnc32)cc1 ZINC000008912025 554801639 /nfs/dbraw/zinc/80/16/39/554801639.db2.gz HBCOWBPWZWNVCQ-UHFFFAOYSA-N 1 0 499.684 5.378 50 0 JKAARO CC[N@H+](CCCNC(=O)c1ccc2nc(N3CCC(C)CC3)sc2c1)Cc1ccccc1 ZINC000008912718 554803270 /nfs/dbraw/zinc/80/32/70/554803270.db2.gz BOSUDCIIOQGFSN-UHFFFAOYSA-N 1 0 450.652 5.175 50 0 JKAARO COc1ccc([C@H](CNC(=O)c2oc3ccc(Br)cc3c2C)[NH+]2CCCC2)cc1 ZINC000008916983 554811726 /nfs/dbraw/zinc/81/17/26/554811726.db2.gz JTYDAELQQFQSRD-FQEVSTJZSA-N 1 0 457.368 5.079 50 0 JKAARO C[C@H]1CCc2c(sc(NC(=O)C[NH2+]CCc3ccccc3)c2C(=O)Nc2ccccc2F)C1 ZINC000008919164 554816001 /nfs/dbraw/zinc/81/60/01/554816001.db2.gz WRAFWWVLCNQHCZ-KRWDZBQOSA-N 1 0 465.594 5.035 50 0 JKAARO CC1CC[NH+](CCC(=O)Nc2sc3c(c2C(=O)Nc2ccc(Br)cc2)CCC3)CC1 ZINC000008919201 554816007 /nfs/dbraw/zinc/81/60/07/554816007.db2.gz HKWRPMMTELWDFK-UHFFFAOYSA-N 1 0 490.467 5.312 50 0 JKAARO O=C(CC[NH+]1CCC(Cc2ccccc2)CC1)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 ZINC000008919694 554816463 /nfs/dbraw/zinc/81/64/63/554816463.db2.gz NFMNNYSKOYNTOP-AREMUKBSSA-N 1 0 476.020 5.956 50 0 JKAARO Clc1ccc(C2=NN3[C@@H](C2)c2ccccc2OC32CC[NH+](Cc3ccccc3)CC2)c(Cl)c1 ZINC000008921554 554818415 /nfs/dbraw/zinc/81/84/15/554818415.db2.gz PVMUBBREOOPRQY-VWLOTQADSA-N 1 0 478.423 6.529 50 0 JKAARO CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4cccc(Cl)c4Cl)o2)N3)C1 ZINC000008922881 554819952 /nfs/dbraw/zinc/81/99/52/554819952.db2.gz GWJGLKMMDJLKJA-HXUWFJFHSA-N 1 0 462.402 6.510 50 0 JKAARO CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cccc(OC(=O)C=Cc4ccco4)c2)N3)C1 ZINC000008922868 554819994 /nfs/dbraw/zinc/81/99/94/554819994.db2.gz MWTLTDDGCBTCIT-UPWIVDSGSA-N 1 0 463.559 5.155 50 0 JKAARO CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OCc4ccccc4Cl)cc2)N3)C1 ZINC000008923120 554820394 /nfs/dbraw/zinc/82/03/94/554820394.db2.gz SHDMBBYBIHAJNF-QHCPKHFHSA-N 1 0 468.022 6.176 50 0 JKAARO CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC(=O)c4ccc(Cl)cc4)cc2)N3)C1 ZINC000008923469 554820585 /nfs/dbraw/zinc/82/05/85/554820585.db2.gz UCYOKFYGUZOXBZ-QFIPXVFZSA-N 1 0 482.005 5.816 50 0 JKAARO CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4cc(Cl)cc(Cl)c4)o2)N3)C1 ZINC000008923480 554820641 /nfs/dbraw/zinc/82/06/41/554820641.db2.gz PENHTNCABBXZHG-HXUWFJFHSA-N 1 0 462.402 6.510 50 0 JKAARO CCOc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C(C)C)C4)ccc1OC(=O)c1cccs1 ZINC000008923415 554820688 /nfs/dbraw/zinc/82/06/88/554820688.db2.gz ACPAXFXCAQQBHA-JOCHJYFZSA-N 1 0 497.642 5.623 50 0 JKAARO CCOCC1=C(c2ccccc2)[N@@H+](C2CCCCC2)C[C@@H](C(=O)c2ccccc2)[C@@H]1c1ccccc1 ZINC000008926048 554822353 /nfs/dbraw/zinc/82/23/53/554822353.db2.gz WJXGFINEXFJDLP-VEEOACQBSA-N 1 0 479.664 7.365 50 0 JKAARO COc1cc(C[NH+]2CCC(C(=O)N3CCc4ccccc4C3)CC2)ccc1OCc1ccccc1 ZINC000008952110 554835521 /nfs/dbraw/zinc/83/55/21/554835521.db2.gz TUCGRNFLTSWWRH-UHFFFAOYSA-N 1 0 470.613 5.071 50 0 JKAARO Brc1ccc2c(c1)[C@@H]1CC(c3cccs3)=NN1C1(CC[NH+](Cc3ccccc3)CC1)O2 ZINC000009019227 554866807 /nfs/dbraw/zinc/86/68/07/554866807.db2.gz STVJHWNMCLPTTI-QFIPXVFZSA-N 1 0 494.458 6.046 50 0 JKAARO COc1cccc2c1OC1(CC[NH+](Cc3ccccc3)CC1)N1N=C(c3ccc4c(c3)OCCO4)C[C@@H]21 ZINC000009046380 554870461 /nfs/dbraw/zinc/87/04/61/554870461.db2.gz HOZHSWCIRHTBMH-VWLOTQADSA-N 1 0 497.595 5.002 50 0 JKAARO C[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccc4ccccc4c3)=NN12 ZINC000009067107 554885812 /nfs/dbraw/zinc/88/58/12/554885812.db2.gz TVUYDYPAMRGARW-QHCPKHFHSA-N 1 0 462.391 5.568 50 0 JKAARO Cc1ccc(C2=CSC3=NC4=C(C[N@H+](C)C/C4=C\c4ccc(F)cc4)[C@H](c4ccc(F)cc4)N23)cc1 ZINC000009076026 554887145 /nfs/dbraw/zinc/88/71/45/554887145.db2.gz CVXLMFCXTSELCS-ZYTZQALASA-N 1 0 497.614 7.014 50 0 JKAARO COc1cccc2c1OC1(CC[NH+](Cc3ccccc3)CC1)N1N=C(c3cc(C)ccc3C)C[C@H]21 ZINC000009087597 554889540 /nfs/dbraw/zinc/88/95/40/554889540.db2.gz DVFUTYABNNCWPA-HHHXNRCGSA-N 1 0 467.613 5.848 50 0 JKAARO O=C(NCCC[NH+]1CCC(Cc2ccccc2)CC1)c1ccc(C[S@@](=O)c2ccccc2Cl)o1 ZINC000009115551 554902381 /nfs/dbraw/zinc/90/23/81/554902381.db2.gz UQVGGCGMNQQKRF-UMSFTDKQSA-N 1 0 499.076 5.315 50 0 JKAARO Cc1nn(-c2ccc(C)cc2)c2nc(C)cc(C(=O)NCCC[NH+]3CCC(Cc4ccccc4)CC3)c12 ZINC000009116984 554905664 /nfs/dbraw/zinc/90/56/64/554905664.db2.gz UROYGOMDGFDOHM-UHFFFAOYSA-N 1 0 495.671 5.420 50 0 JKAARO COc1cc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)ccc1OCc1ccc(Cl)cc1 ZINC000009126048 554919275 /nfs/dbraw/zinc/91/92/75/554919275.db2.gz CAMPKCSFBHXNFQ-OAQYLSRUSA-N 1 0 454.954 5.088 50 0 JKAARO Cc1ccc(CN(C(=O)Nc2ccccc2Br)C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000009151165 554937365 /nfs/dbraw/zinc/93/73/65/554937365.db2.gz PDPAPWGIPABGKB-UHFFFAOYSA-N 1 0 482.422 6.049 50 0 JKAARO Cc1cc2nc(N(CCC[NH+](C)C)C(=O)c3ccc(Br)s3)sc2c(C)c1 ZINC000009151934 554939202 /nfs/dbraw/zinc/93/92/02/554939202.db2.gz XOAMMOVGHOZZSZ-UHFFFAOYSA-N 1 0 452.443 5.336 50 0 JKAARO CC(C)[N@H+](CCCNC(=O)c1nc(-c2ccc(Cl)cc2)n2c1CCCCC2)Cc1ccccc1 ZINC000009152953 554941731 /nfs/dbraw/zinc/94/17/31/554941731.db2.gz JRNAQSLSZIRCSX-UHFFFAOYSA-N 1 0 479.068 5.960 50 0 JKAARO CCC[NH+]1CCC2(CC1)Oc1c(OC)cccc1[C@@H]1CC(c3ccc(Br)cc3)=NN12 ZINC000009172581 554954413 /nfs/dbraw/zinc/95/44/13/554954413.db2.gz HXTCTXSRLCLTQB-NRFANRHFSA-N 1 0 470.411 5.203 50 0 JKAARO CCCCCC[NH2+]C[C@@H](c1ccccc1)[C@@](O)(c1ccc(OCC)cc1)c1ccccc1OC ZINC000009195282 554968534 /nfs/dbraw/zinc/96/85/34/554968534.db2.gz ZPVZAMOLYBQYOF-MFMCTBQISA-N 1 0 461.646 6.284 50 0 JKAARO Cc1c(Cl)cccc1-n1ncc(C(=O)Nc2c(F)c(F)cc(F)c2F)c1C1CC[NH2+]CC1 ZINC000009227491 555000191 /nfs/dbraw/zinc/00/01/91/555000191.db2.gz SPUPIGIKGFWJEA-UHFFFAOYSA-N 1 0 466.866 5.110 50 0 JKAARO Cc1c(C)n(Cc2ccc(Cl)cc2)c2ccc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc12 ZINC000009229115 555003229 /nfs/dbraw/zinc/00/32/29/555003229.db2.gz HSOZHMXYXIMQOQ-UHFFFAOYSA-N 1 0 486.059 6.354 50 0 JKAARO Cc1c(C)n(Cc2ccc(Cl)cc2)c2ccc(C(=O)NCCC[N@H+]3CCCC[C@H]3C)cc12 ZINC000009229122 555003235 /nfs/dbraw/zinc/00/32/35/555003235.db2.gz SYXKAEZNEBXLDT-LJQANCHMSA-N 1 0 452.042 5.954 50 0 JKAARO Cc1c(C)n(Cc2ccc(Cl)cc2)c2ccc(C(=O)NCCC[N@H+]3CCCC[C@@H]3C)cc12 ZINC000009229121 555003274 /nfs/dbraw/zinc/00/32/74/555003274.db2.gz SYXKAEZNEBXLDT-IBGZPJMESA-N 1 0 452.042 5.954 50 0 JKAARO Cc1c(C)n(Cc2ccc(Cl)cc2)c2ccc(C(=O)NCCC[N@@H+]3CCc4ccccc4C3)cc12 ZINC000009229129 555003332 /nfs/dbraw/zinc/00/33/32/555003332.db2.gz SRNJFPDMKZWBAR-UHFFFAOYSA-N 1 0 486.059 6.138 50 0 JKAARO Cc1ccc(Cl)cc1N1CC[NH+](CCCNC(=O)c2ccc(N3CCc4ccccc43)s2)CC1 ZINC000009229181 555003524 /nfs/dbraw/zinc/00/35/24/555003524.db2.gz HAURCOFCGXFWLX-UHFFFAOYSA-N 1 0 495.092 5.346 50 0 JKAARO COc1cccc2c1OC1(CC[NH+](Cc3ccccc3)CC1)N1N=C(c3ccc(C)cc3)C[C@H]21 ZINC000009233347 555006240 /nfs/dbraw/zinc/00/62/40/555006240.db2.gz BUTKOIZGNNHAIB-AREMUKBSSA-N 1 0 453.586 5.539 50 0 JKAARO CCC[NH+]1CCC2(CC1)Oc1c(OC)cccc1[C@@H]1CC(c3ccc(Cl)c(Cl)c3)=NN12 ZINC000009235361 555009557 /nfs/dbraw/zinc/00/95/57/555009557.db2.gz BWZIPEDVKIIEPJ-NRFANRHFSA-N 1 0 460.405 5.748 50 0 JKAARO Cc1cc(C)c2c(n1)sc(C(=O)NCCC[NH+]1CCC(Cc3ccccc3)CC1)c2-n1cccc1 ZINC000009251904 555026289 /nfs/dbraw/zinc/02/62/89/555026289.db2.gz AQZFZKLCSPUACW-UHFFFAOYSA-N 1 0 486.685 5.778 50 0 JKAARO CCc1cc([C@@H](c2ccc(OC)c(OC)c2)[NH+]2CCCCC2)c(NC(=O)c2ccccc2)s1 ZINC000009253704 555029041 /nfs/dbraw/zinc/02/90/41/555029041.db2.gz GYIQKYYJNQQOIJ-RUZDIDTESA-N 1 0 464.631 6.155 50 0 JKAARO Cc1nn(-c2cccc(Cl)c2C)c2nc(C)cc(C(=O)N3CC[NH+](C4CCCCC4)CC3)c12 ZINC000009266329 555042630 /nfs/dbraw/zinc/04/26/30/555042630.db2.gz ZYMACWWFDFZVSE-UHFFFAOYSA-N 1 0 466.029 5.090 50 0 JKAARO CC[NH+](CC)CCC[C@H](C)Nc1nc(/C=C/c2ccc(Br)cc2)nc2ccc(OC)cc21 ZINC000009272647 555045141 /nfs/dbraw/zinc/04/51/41/555045141.db2.gz NRGZLMUAJBBJHU-SKTWIKFTSA-N 1 0 497.481 6.494 50 0 JKAARO Cc1oc(-c2ccc(C(C)C)cc2)nc1C[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCCO3)CC1 ZINC000009274594 555047464 /nfs/dbraw/zinc/04/74/64/555047464.db2.gz ZJRITHPOYQYRMN-UHFFFAOYSA-N 1 0 475.589 5.395 50 0 JKAARO COc1ccc2c(c1)[nH]c(C(=O)NCCC[N@@H+]1CCc3ccccc3C1)c2Sc1ccccc1 ZINC000009288392 555062126 /nfs/dbraw/zinc/06/21/26/555062126.db2.gz RXQRTWKODVKZJA-UHFFFAOYSA-N 1 0 471.626 5.506 50 0 JKAARO COc1ccc2c(c1)[nH]c(C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1)c2Sc1ccc(Cl)cc1 ZINC000009288638 555062428 /nfs/dbraw/zinc/06/24/28/555062428.db2.gz WKWDVMVZCOUIBD-ROUUACIJSA-N 1 0 486.081 6.079 50 0 JKAARO COc1cccc2c1OC1(CC[NH+](C(C)C)CC1)N1N=C(c3ccc(Cl)c(Cl)c3)C[C@@H]21 ZINC000009334082 555101963 /nfs/dbraw/zinc/10/19/63/555101963.db2.gz YVHANBOJQHXEHR-NRFANRHFSA-N 1 0 460.405 5.746 50 0 JKAARO Cc1ccc(NC(=O)CSc2ccccc2C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000009336458 555104245 /nfs/dbraw/zinc/10/42/45/555104245.db2.gz PQAQPNGZXRWGQN-UHFFFAOYSA-N 1 0 473.642 5.252 50 0 JKAARO C[NH+](C)CCCN(C(=O)CSc1ccccc1)c1nc2ccc(Br)cc2s1 ZINC000009343797 555109389 /nfs/dbraw/zinc/10/93/89/555109389.db2.gz PBKVEEZTUCGJLP-UHFFFAOYSA-N 1 0 464.454 5.136 50 0 JKAARO COc1ccc(Cl)cc1NC(=O)c1sc2nc3c(cc2c1N)CN(Cc1ccccc1)CC3 ZINC000009347810 555113764 /nfs/dbraw/zinc/11/37/64/555113764.db2.gz KPZXKKHTLHKTJP-UHFFFAOYSA-N 1 0 479.005 5.351 50 0 JKAARO c1ccc(C[NH+]2CCC3(CC2)Oc2ccccc2[C@@H]2CC(c4ccc(-c5ccccc5)cc4)=NN23)cc1 ZINC000009359228 555123073 /nfs/dbraw/zinc/12/30/73/555123073.db2.gz BITFEHGSFRQLLT-HKBQPEDESA-N 1 0 485.631 6.889 50 0 JKAARO CC[NH+]1CCN(c2ccc(NC(=O)c3ccccc3-c3ncc(-c4ccccc4)o3)cc2)CC1 ZINC000009379006 555140960 /nfs/dbraw/zinc/14/09/60/555140960.db2.gz WHOABVYMZLBNNT-UHFFFAOYSA-N 1 0 452.558 5.403 50 0 JKAARO O=C(c1ccc2c(c1)sc1nc(-c3ccc(F)cc3)cn21)N1CC[NH+](C2CCCCC2)CC1 ZINC000009406555 555167013 /nfs/dbraw/zinc/16/70/13/555167013.db2.gz ADBPJYXPLPZSFG-UHFFFAOYSA-N 1 0 462.594 5.446 50 0 JKAARO CCc1ccc(-c2cn3c4ccc(C(=O)NCCC[NH+]5C[C@@H](C)C[C@H](C)C5)cc4sc3n2)cc1 ZINC000009406482 555167051 /nfs/dbraw/zinc/16/70/51/555167051.db2.gz HICUUMXEEBIMAJ-PMACEKPBSA-N 1 0 474.674 5.876 50 0 JKAARO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1ccc2c(c1)sc1nc(-c3ccc(F)cc3)cn21 ZINC000009406590 555167110 /nfs/dbraw/zinc/16/71/10/555167110.db2.gz YALHOXCNWFEWMO-UHFFFAOYSA-N 1 0 484.600 5.533 50 0 JKAARO C[C@@H]1CCC[C@H](C)[N@H+]1CCCNC(=O)c1ccc2c(c1)sc1nc(-c3ccc(F)cc3)cn21 ZINC000009406586 555167150 /nfs/dbraw/zinc/16/71/50/555167150.db2.gz NRSZQZBDFKMGGZ-HDICACEKSA-N 1 0 464.610 5.738 50 0 JKAARO CC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC[C@@H](O)C[NH2+]Cc3ccc(Cl)cc3)cc21 ZINC000009409353 555174074 /nfs/dbraw/zinc/17/40/74/555174074.db2.gz RVFUPXKGQCCPLY-DEOSSOPVSA-N 1 0 477.004 5.633 50 0 JKAARO CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NCCC[N@H+](C)Cc2ccccc2)[C@@H]1c1cccs1 ZINC000009433046 555202882 /nfs/dbraw/zinc/20/28/82/555202882.db2.gz NKHANABDLBUCCV-SXOMAYOGSA-N 1 0 489.685 5.323 50 0 JKAARO CCC[NH+](CCC)CCNC(=O)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1 ZINC000009433519 555203671 /nfs/dbraw/zinc/20/36/71/555203671.db2.gz IHQWZMYXXNKXQB-DQEYMECFSA-N 1 0 467.679 5.210 50 0 JKAARO COc1cccc2c1OC1(CC[NH+](Cc3ccccc3)CC1)N1N=C(c3ccc4ccccc4c3)C[C@@H]21 ZINC000009461446 555229053 /nfs/dbraw/zinc/22/90/53/555229053.db2.gz YJIHXKKAEDBRSG-LJAQVGFWSA-N 1 0 489.619 6.384 50 0 JKAARO CC(C)[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccccc3F)=NN12 ZINC000009462125 555230851 /nfs/dbraw/zinc/23/08/51/555230851.db2.gz ZGEZDAASSYUPML-NRFANRHFSA-N 1 0 458.375 5.332 50 0 JKAARO CC[NH+]1CCN(c2ccc(NC(=O)c3cn(Cc4ccccc4)nc3-c3ccccc3OC)cc2)CC1 ZINC000009469554 555252066 /nfs/dbraw/zinc/25/20/66/555252066.db2.gz LSQACHGMHUFSIB-UHFFFAOYSA-N 1 0 495.627 5.001 50 0 JKAARO O=C(NCCC[NH+]1CCC(Cc2ccccc2)CC1)c1cc(-c2ccncc2)nc2ccccc21 ZINC000009490868 555267078 /nfs/dbraw/zinc/26/70/78/555267078.db2.gz MODFZMATAWEAIP-UHFFFAOYSA-N 1 0 464.613 5.371 50 0 JKAARO Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2ccccc2)[NH+]2CCC(Cc3ccccc3)CC2)c1C ZINC000009494710 555279132 /nfs/dbraw/zinc/27/91/32/555279132.db2.gz APAKGBCDWFIINW-SSEXGKCCSA-N 1 0 494.704 7.661 50 0 JKAARO O=C(C[NH+]1CCC(c2nc3ccccc3s2)CC1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000009497180 555281661 /nfs/dbraw/zinc/28/16/61/555281661.db2.gz UJQDGYVJFLWAGD-JOCHJYFZSA-N 1 0 477.630 5.001 50 0 JKAARO COc1ccc(-c2csc3ncnc(NCC4CC[NH+](Cc5cc(C)ccc5C)CC4)c23)cc1 ZINC000009527758 555320779 /nfs/dbraw/zinc/32/07/79/555320779.db2.gz RDTGRRLCTIHHSR-UHFFFAOYSA-N 1 0 472.658 6.308 50 0 JKAARO C[C@@H]1CCC[C@H](C)[N@H+]1CCCNC(=O)c1cc(Sc2ccc(F)cc2)nc2ccccc21 ZINC000009546381 555341567 /nfs/dbraw/zinc/34/15/67/555341567.db2.gz QRJLVXBTVLNUTF-KDURUIRLSA-N 1 0 451.611 5.908 50 0 JKAARO CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC[C@H](O)C[N@@H+]3CCCC[C@@H]3C)cc21 ZINC000009546409 555341669 /nfs/dbraw/zinc/34/16/69/555341669.db2.gz MTJUAQXHZQBOCH-NZQKXSOJSA-N 1 0 464.606 5.038 50 0 JKAARO C[C@H](CNC(=O)c1cc(Sc2ccc(Cl)cc2)nc2ccccc21)[NH+]1CCC(C)CC1 ZINC000009546371 555341679 /nfs/dbraw/zinc/34/16/79/555341679.db2.gz QKMNWHRJRSEWLU-GOSISDBHSA-N 1 0 454.039 5.890 50 0 JKAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2cc(Sc3ccc(F)cc3)nc3ccccc32)C1 ZINC000009546379 555341740 /nfs/dbraw/zinc/34/17/40/555341740.db2.gz AVGCMNHQXXPVAG-RTBURBONSA-N 1 0 451.611 5.623 50 0 JKAARO CCCOc1ccc([C@H]2[NH2+]C[C@H](c3cccc(OC)c3OC)c3c4ccccc4[nH]c32)cc1OC ZINC000013145653 555343200 /nfs/dbraw/zinc/34/32/00/555343200.db2.gz QVDFNNCSZWTCHY-JIPXPUAJSA-N 1 0 472.585 5.807 50 0 JKAARO CC(C)(C)CC(C)(C)c1ccc(OC[C@H](O)C[NH2+]C2CCN(Cc3ccccc3)CC2)cc1 ZINC000013147659 555346749 /nfs/dbraw/zinc/34/67/49/555346749.db2.gz HVPOLBVJXKUOOF-AREMUKBSSA-N 1 0 452.683 5.394 50 0 JKAARO CCOC(=O)c1c(NC(=O)Cc2cccc3ccccc32)sc2c1CC(C)(C)[NH2+]C2(C)C ZINC000009639882 555349322 /nfs/dbraw/zinc/34/93/22/555349322.db2.gz NNZZQNOBYQPSTC-UHFFFAOYSA-N 1 0 450.604 5.419 50 0 JKAARO CCc1ccc(OCc2ccc(C(=O)Nc3nc4ccccc4n3CC[NH+]3CCCCC3)o2)cc1 ZINC000009557285 555351587 /nfs/dbraw/zinc/35/15/87/555351587.db2.gz ZHYVRKINTZHFGP-UHFFFAOYSA-N 1 0 472.589 5.509 50 0 JKAARO Fc1ccc([C@@H](NCC2CC[NH+](Cc3ccc(Cl)cc3)CC2)c2nnc(-c3ccccc3)o2)cc1 ZINC000009645513 555358279 /nfs/dbraw/zinc/35/82/79/555358279.db2.gz ATEFTIKCLNZSBH-AREMUKBSSA-N 1 0 491.010 6.120 50 0 JKAARO CCCC[NH+]1CCN(C(=O)c2cc(-c3cccc(OCC)c3)nc3ccc(Br)cc32)CC1 ZINC000013321631 555375989 /nfs/dbraw/zinc/37/59/89/555375989.db2.gz KFORTPKDXBSLRS-UHFFFAOYSA-N 1 0 496.449 5.621 50 0 JKAARO Cc1ccc(-c2cc(C(=O)N3CC[NH+](C45CC6CC(CC(C6)C4)C5)CC3)c3ccccc3n2)cc1 ZINC000013321657 555376003 /nfs/dbraw/zinc/37/60/03/555376003.db2.gz IBACQKZDWLYZGO-UHFFFAOYSA-N 1 0 465.641 5.937 50 0 JKAARO Cc1cccc2c(C(=O)N3CC[NH+](C45CC6CC(CC(C6)C4)C5)CC3)cc(-c3ccncc3)nc12 ZINC000013321647 555376054 /nfs/dbraw/zinc/37/60/54/555376054.db2.gz KOZWAAIXIZMVRM-UHFFFAOYSA-N 1 0 466.629 5.332 50 0 JKAARO CC(C)[N@H+](CCCNC(=O)Cn1nc(-c2ccccc2)c2cc(Cl)ccc21)Cc1ccccc1 ZINC000013369099 555390862 /nfs/dbraw/zinc/39/08/62/555390862.db2.gz HNWVCYNIVKGWDG-UHFFFAOYSA-N 1 0 475.036 5.774 50 0 JKAARO C[C@H](C(=O)NCCC[N@H+]1[C@H](C)CCC[C@@H]1C)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000013369298 555391005 /nfs/dbraw/zinc/39/10/05/555391005.db2.gz LSIWKYXVFVLBMW-HSALFYBXSA-N 1 0 453.030 5.687 50 0 JKAARO C[C@H](C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000013369275 555391112 /nfs/dbraw/zinc/39/11/12/555391112.db2.gz NIIPTCMLCFXJQK-VAMGGRTRSA-N 1 0 453.030 5.402 50 0 JKAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H](C)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000013369267 555391143 /nfs/dbraw/zinc/39/11/43/555391143.db2.gz ADHVRVGKBCKWRB-KNQAVFIVSA-N 1 0 453.030 5.689 50 0 JKAARO CC(C)C[NH+](CCCNC(=O)c1cc(Nc2ccc(C(C)C)cc2)nc2ccccc21)CC(C)C ZINC000009680884 555408771 /nfs/dbraw/zinc/40/87/71/555408771.db2.gz PEGAKZKFBPODDB-UHFFFAOYSA-N 1 0 474.693 6.836 50 0 JKAARO CCCCCC[C@](O)(c1ccc(Br)cc1)[C@H](C[NH2+]CCCCO)c1ccccc1 ZINC000013497208 555412842 /nfs/dbraw/zinc/41/28/42/555412842.db2.gz YMKLQAMJYGSGIO-RPBOFIJWSA-N 1 0 462.472 5.753 50 0 JKAARO COc1ccc(Cn2ccc3nc(C)c(C(=O)Nc4ccc(C[NH+]5CCCCC5)cc4)cc3c2=O)cc1 ZINC000009686079 555414892 /nfs/dbraw/zinc/41/48/92/555414892.db2.gz UZBAKYHYLRCUQM-UHFFFAOYSA-N 1 0 496.611 5.000 50 0 JKAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)CCC(=O)Nc1ccc2nc(N3CCCCC3)cc(C)c2c1 ZINC000009598002 555415451 /nfs/dbraw/zinc/41/54/51/555415451.db2.gz RQQMKYGKHAFSFO-DEOSSOPVSA-N 1 0 493.696 5.023 50 0 JKAARO COCCn1c(-c2ccc3c(c2)OCO3)c[nH+]c1NCc1cccc(OCc2ccccc2)c1 ZINC000009601558 555426473 /nfs/dbraw/zinc/42/64/73/555426473.db2.gz PISZTJVEGRGDRD-UHFFFAOYSA-N 1 0 457.530 5.116 50 0 JKAARO O=C(CSc1ccc(-c2ccc(-n3ccnc3)cc2)nn1)Nc1ccccc1C(F)(F)F ZINC000009712889 555437814 /nfs/dbraw/zinc/43/78/14/555437814.db2.gz DMCTUTNLBXQYMZ-UHFFFAOYSA-N 1 0 455.465 5.079 50 0 JKAARO Cc1nn(-c2ccc(C)cc2)c2nc(C)c(CCC(=O)Nc3ccc(C[NH+]4CCCC4)cc3)c(C)c12 ZINC000009610230 555440052 /nfs/dbraw/zinc/44/00/52/555440052.db2.gz YVAMXCNRBXZMOF-UHFFFAOYSA-N 1 0 481.644 5.821 50 0 JKAARO COc1ccc(Nc2c3cc(NC(=O)C4CCC(C)CC4)ccc3[nH+]c3c2CCCC3)cc1OC ZINC000009612256 555444804 /nfs/dbraw/zinc/44/48/04/555444804.db2.gz GWNSXGZWIQAFAP-UHFFFAOYSA-N 1 0 473.617 6.639 50 0 JKAARO COc1ccc(Nc2c3cc(NC(=O)COc4cccc(C)c4)ccc3[nH+]c3c2CCCC3)cc1OC ZINC000009612253 555444830 /nfs/dbraw/zinc/44/48/30/555444830.db2.gz OFQNSYWRUPLNED-UHFFFAOYSA-N 1 0 497.595 6.200 50 0 JKAARO COc1ccc(C(=O)Nc2ccc3[nH+]c4c(c(Nc5ccc(OC)c(OC)c5)c3c2)CCCC4)cc1 ZINC000009612247 555444905 /nfs/dbraw/zinc/44/49/05/555444905.db2.gz UVDMVFRDJHEWKB-UHFFFAOYSA-N 1 0 483.568 6.135 50 0 JKAARO Cn1nc(-c2ccc(Cl)cc2)c2cc(C(=O)NCCC[N@H+](C)Cc3ccccc3)sc21 ZINC000009722293 555453865 /nfs/dbraw/zinc/45/38/65/555453865.db2.gz HXVOEFAPYCQATH-UHFFFAOYSA-N 1 0 453.011 5.207 50 0 JKAARO Cc1oc(-c2cccc(Br)c2)nc1C[NH+]1CCC(C(=O)NC2CCCCCCC2)CC1 ZINC000009731768 555468707 /nfs/dbraw/zinc/46/87/07/555468707.db2.gz LIIULBZORKTAEA-UHFFFAOYSA-N 1 0 488.470 5.854 50 0 JKAARO Cc1oc(-c2cccc(Br)c2)nc1C[NH+]1CCC(C(=O)N[C@H]2CCCC[C@H]2C)CC1 ZINC000009731780 555468877 /nfs/dbraw/zinc/46/88/77/555468877.db2.gz LGMBVDGBBAEPBH-IERDGZPVSA-N 1 0 474.443 5.319 50 0 JKAARO Cc1oc(-c2cccc(Cl)c2)nc1C[NH+]1CCC(C(=O)NCc2ccc(Cl)cc2)CC1 ZINC000009731795 555468941 /nfs/dbraw/zinc/46/89/41/555468941.db2.gz LAZIAKZBPXADQQ-UHFFFAOYSA-N 1 0 458.389 5.485 50 0 JKAARO Cc1oc(-c2cccc(Cl)c2)nc1C[NH+]1CCC(C(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000009731808 555468967 /nfs/dbraw/zinc/46/89/67/555468967.db2.gz BGYZVKLCNIDUKT-XMMPIXPASA-N 1 0 464.009 5.709 50 0 JKAARO Cc1oc(-c2ccc(Cl)cc2)nc1C[N@@H+]1CCC[C@H](C(=O)NCc2ccccc2Cl)C1 ZINC000009731898 555469211 /nfs/dbraw/zinc/46/92/11/555469211.db2.gz FURPRNVHUNFUFJ-IBGZPJMESA-N 1 0 458.389 5.485 50 0 JKAARO Cc1c(C[NH2+]CC2CC[NH+](Cc3ccccc3C)CC2)c(C(=O)[O-])c(C)n1Cc1ccc(Cl)cc1 ZINC000009746805 555478765 /nfs/dbraw/zinc/47/87/65/555478765.db2.gz DSDOLPFWZHBFEF-UHFFFAOYSA-N 1 0 494.079 5.815 50 0 JKAARO Cc1nn2c(nc3c(c2N2CC[NH+](C(c4ccccc4)c4ccccc4)CC2)CCC3)c1-c1ccccc1 ZINC000013540815 555489009 /nfs/dbraw/zinc/48/90/09/555489009.db2.gz JAEMGWQLGMOCTJ-UHFFFAOYSA-N 1 0 499.662 6.105 50 0 JKAARO Cc1ccc(Nc2ncc(C(=O)NCCC[NH+]3CCCCCC3)c3ccccc32)cc1Cl ZINC000009776786 555495076 /nfs/dbraw/zinc/49/50/76/555495076.db2.gz NNXWAUTYOVMQBN-UHFFFAOYSA-N 1 0 451.014 5.936 50 0 JKAARO COc1ccc(CCC(=O)Nc2ccc3[nH+]c4c(c(Nc5ccccc5OC)c3c2)CCCC4)cc1 ZINC000009777103 555495635 /nfs/dbraw/zinc/49/56/35/555495635.db2.gz CONCWWHJJOCWQO-UHFFFAOYSA-N 1 0 481.596 6.446 50 0 JKAARO CCOC(=O)c1ccc(NC(=S)N(CCC[NH+]2CCC(C)CC2)Cc2cccs2)cc1 ZINC000013573220 555511891 /nfs/dbraw/zinc/51/18/91/555511891.db2.gz JHHUBMUZFNBWBF-UHFFFAOYSA-N 1 0 459.681 5.246 50 0 JKAARO COc1ccc(CNc2[nH+]cc(-c3ccc(Br)cc3)n2C)cc1OCc1ccccc1 ZINC000009805795 555518009 /nfs/dbraw/zinc/51/80/09/555518009.db2.gz CMNHAQLBRMYQTC-UHFFFAOYSA-N 1 0 478.390 6.049 50 0 JKAARO Fc1cccc(Br)c1CNc1[nH+]cc(-c2ccc(Cl)cc2)n1CCc1ccccc1 ZINC000009851106 555554110 /nfs/dbraw/zinc/55/41/10/555554110.db2.gz YVACBHPCYDJFRH-UHFFFAOYSA-N 1 0 484.800 6.960 50 0 JKAARO Cc1ccc2oc(=O)c3cc(C(=O)NCCC[NH+]4CCC(c5ccccc5)CC4)sc3c2c1 ZINC000009857691 555558660 /nfs/dbraw/zinc/55/86/60/555558660.db2.gz BLTAGEKNGBMUNH-UHFFFAOYSA-N 1 0 460.599 5.316 50 0 JKAARO [NH2+]=c1oc2c(cc3c4c2CCCN4CCC3)cc1C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000009969171 555566068 /nfs/dbraw/zinc/56/60/68/555566068.db2.gz ROTYNLXOYDOPCD-UHFFFAOYSA-N 1 0 485.971 6.309 50 0 JKAARO O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000019953253 555569671 /nfs/dbraw/zinc/56/96/71/555569671.db2.gz MZIIOMAILDCYOT-UHFFFAOYSA-N 1 0 497.620 5.298 50 0 JKAARO COc1ccc(-c2nc(C)c(C(=O)NCCC3CC[NH+](Cc4ccccc4)CC3)s2)cc1OC ZINC000013691394 555585447 /nfs/dbraw/zinc/58/54/47/555585447.db2.gz BRDVLOPLBOZZLZ-UHFFFAOYSA-N 1 0 479.646 5.168 50 0 JKAARO CC(C)c1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C4N=NC(=S)N4CCC[NH+](C)C)cc3N2)cc1 ZINC000020028581 555604194 /nfs/dbraw/zinc/60/41/94/555604194.db2.gz OVCYCJOMHQMVGG-PKOBYXMFSA-N 1 0 493.603 5.166 50 0 JKAARO CCCCOc1ccc(C(=O)[C@@H](C[NH+]2CCN(c3ccc(F)cc3)CC2)c2ccccc2)cc1 ZINC000020034572 555609242 /nfs/dbraw/zinc/60/92/42/555609242.db2.gz RPGZZVASPJEEKU-NDEPHWFRSA-N 1 0 460.593 5.793 50 0 JKAARO CN1CC[NH+](C[C@H](O)Cn2c(-c3ccccc3)c(-c3ccccc3)c3ccc4ccccc4c32)CC1 ZINC000020037059 555611137 /nfs/dbraw/zinc/61/11/37/555611137.db2.gz NBKRBUWBGYONDF-MHZLTWQESA-N 1 0 475.636 5.737 50 0 JKAARO CN1CC[NH+](C[C@@H](O)Cn2c(-c3ccccc3)c(-c3ccccc3)c3ccc4ccccc4c32)CC1 ZINC000020037054 555611268 /nfs/dbraw/zinc/61/12/68/555611268.db2.gz NBKRBUWBGYONDF-HHHXNRCGSA-N 1 0 475.636 5.737 50 0 JKAARO c1ccc2c(c1)CCC[C@@H]2[NH+]1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc4c(c3)OCO4)=NN12 ZINC000013758040 555611460 /nfs/dbraw/zinc/61/14/60/555611460.db2.gz QIJHRSHWWHXCIW-RRPNLBNLSA-N 1 0 493.607 5.829 50 0 JKAARO CC[NH+](CC)CCN(C(=O)c1ccc2ccccc2c1)c1nc2cc3c(cc2s1)OCCO3 ZINC000010066951 555614369 /nfs/dbraw/zinc/61/43/69/555614369.db2.gz VXLRGINTOUPKCV-UHFFFAOYSA-N 1 0 461.587 5.209 50 0 JKAARO Cc1ccc2c(c1)[C@@H]1CC(c3ccccc3Cl)=NN1C1(CC[NH+](Cc3ccccc3)CC1)O2 ZINC000013787439 555619760 /nfs/dbraw/zinc/61/97/60/555619760.db2.gz WYMGHHKMSKGCID-SANMLTNESA-N 1 0 458.005 6.184 50 0 JKAARO CCCCOc1ccc([C@](C)(O)[C@H](CN2CC[NH+]([C@@H]3CCCC[C@@H]3OC)CC2)c2ccccc2)cc1 ZINC000020058879 555622212 /nfs/dbraw/zinc/62/22/12/555622212.db2.gz FDLGLXYCHXTXKQ-VKONIRKNSA-N 1 0 494.720 5.432 50 0 JKAARO CCCSc1nc2sc3c(c2c2nnc(SCC[NH+]4CCCCC4)n21)[C@@H](C)CCC3 ZINC000013811115 555627227 /nfs/dbraw/zinc/62/72/27/555627227.db2.gz OENCTCLHKZTTCD-HNNXBMFYSA-N 1 0 461.726 5.859 50 0 JKAARO C[C@H]1CCC[N@H+](CCCN(Cc2cccs2)C(=S)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000020107696 555641764 /nfs/dbraw/zinc/64/17/64/555641764.db2.gz YDHJARUXQBASTH-QFIPXVFZSA-N 1 0 479.715 6.861 50 0 JKAARO COc1ccc(Cl)cc1NC(=S)N(CCC[N@@H+]1CCC[C@@H](C)C1)Cc1cccs1 ZINC000020107766 555641831 /nfs/dbraw/zinc/64/18/31/555641831.db2.gz OMBJEUIRKLNLOG-QGZVFWFLSA-N 1 0 452.089 5.731 50 0 JKAARO C[C@@H]1CCC[N@H+](CCCN(Cc2ccco2)C(=S)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000020107715 555641855 /nfs/dbraw/zinc/64/18/55/555641855.db2.gz JWIPKHKCEOUZQS-JOCHJYFZSA-N 1 0 463.647 6.393 50 0 JKAARO C[C@@H]1CCC[N@H+](CCCN(Cc2cccs2)C(=S)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000020107694 555641907 /nfs/dbraw/zinc/64/19/07/555641907.db2.gz YDHJARUXQBASTH-JOCHJYFZSA-N 1 0 479.715 6.861 50 0 JKAARO O=C(Nc1ccccc1C(=O)NC1CCCCC1)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000013895685 555643099 /nfs/dbraw/zinc/64/30/99/555643099.db2.gz PASBAGMSGVZFFY-UHFFFAOYSA-N 1 0 467.613 5.560 50 0 JKAARO C[NH+](C)CCCNC(=O)c1ccccc1NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000010312856 555678843 /nfs/dbraw/zinc/67/88/43/555678843.db2.gz BTQBCUOKOJRSSF-UHFFFAOYSA-N 1 0 460.361 5.187 50 0 JKAARO C[NH+](CCCOc1ccccc1-c1ccccc1)CCCOc1ccccc1-c1ccccc1 ZINC000014083993 555683241 /nfs/dbraw/zinc/68/32/41/555683241.db2.gz WWAYPYBGTFTHHX-UHFFFAOYSA-N 1 0 451.610 7.190 50 0 JKAARO CC1=Nc2cc(C(=O)NCCC[N@@H+](C)C3CCCCC3)ccc2Sc2ccc(Cl)cc21 ZINC000020178888 555684358 /nfs/dbraw/zinc/68/43/58/555684358.db2.gz OUEXRCHVUJDESO-UHFFFAOYSA-N 1 0 456.055 6.330 50 0 JKAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccc3c(c2)N(C)C(=O)/C(=C/c2ccccc2F)S3)C1 ZINC000020179970 555686108 /nfs/dbraw/zinc/68/61/08/555686108.db2.gz SKGLJMQUKPTMGO-SMTYBQBFSA-N 1 0 481.637 5.033 50 0 JKAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccc3c(c2)N(C)C(=O)/C(=C/c2ccccc2F)S3)C1 ZINC000020179968 555686115 /nfs/dbraw/zinc/68/61/15/555686115.db2.gz SKGLJMQUKPTMGO-OVFJRLGUSA-N 1 0 481.637 5.033 50 0 JKAARO COc1ccc([C@H](NC(=O)C[NH2+][C@@H](C)c2ccc(Br)cc2)c2ccccc2)cc1 ZINC000014095125 555687656 /nfs/dbraw/zinc/68/76/56/555687656.db2.gz TWYOVEKATKSKIA-BXKMTCNYSA-N 1 0 453.380 5.014 50 0 JKAARO CCCC[N@H+](C)CCCNC(=O)CN1C(=O)/C(=C\c2cccc(Cl)c2)Sc2ccccc21 ZINC000020181101 555687909 /nfs/dbraw/zinc/68/79/09/555687909.db2.gz WDUCNOWNOQJBRM-HAVVHWLPSA-N 1 0 472.054 5.058 50 0 JKAARO CCCC[NH+](CCCC)CCNC(=O)CN1c2ccccc2S/C(=C/c2ccc(C)cc2)C1=O ZINC000020181308 555688195 /nfs/dbraw/zinc/68/81/95/555688195.db2.gz OSPGRRAXSJBXFR-LHLOQNFPSA-N 1 0 479.690 5.493 50 0 JKAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)CN1C(=O)/C(=C\c2ccc(Cl)cc2)Sc2ccccc21 ZINC000020181386 555688293 /nfs/dbraw/zinc/68/82/93/555688293.db2.gz ZRRISUYAKOATCX-FEQHDXENSA-N 1 0 484.065 5.201 50 0 JKAARO Cc1ccccc1-c1cnc(-c2ccncc2)nc1[C@@H]1CCC[N@H+](Cc2nc3ccccc3s2)C1 ZINC000020204711 555696378 /nfs/dbraw/zinc/69/63/78/555696378.db2.gz PGMGWQIOQITYBL-JOCHJYFZSA-N 1 0 477.637 6.503 50 0 JKAARO Cc1ccccc1-c1cnc(-c2ccncc2)nc1[C@H]1CCC[N@H+](Cc2nc3ccccc3s2)C1 ZINC000020204714 555696438 /nfs/dbraw/zinc/69/64/38/555696438.db2.gz PGMGWQIOQITYBL-QFIPXVFZSA-N 1 0 477.637 6.503 50 0 JKAARO COc1ccccc1NC(=O)c1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(-c3ccccc3)cc2)cc1 ZINC000014138662 555705063 /nfs/dbraw/zinc/70/50/63/555705063.db2.gz WBEPZIWAKIORLO-OAQYLSRUSA-N 1 0 479.580 5.904 50 0 JKAARO CCC[C@H]([NH2+]Cc1ccc(OCc2ccc(Cl)cc2Cl)c(OCC)c1)c1ccccc1 ZINC000010435899 555709864 /nfs/dbraw/zinc/70/98/64/555709864.db2.gz QQNNLPPXTQWWEA-DEOSSOPVSA-N 1 0 458.429 7.602 50 0 JKAARO Cc1oc(-c2ccc(Cl)cc2)nc1C[N@@H+]1CCC[C@H](C(=O)NCCc2ccc(C)cc2)C1 ZINC000020240833 555736125 /nfs/dbraw/zinc/73/61/25/555736125.db2.gz HWCZENBNMBTAKS-QFIPXVFZSA-N 1 0 451.998 5.183 50 0 JKAARO Cc1oc(-c2ccccc2C)nc1C[N@@H+]1CCC[C@H](C(=O)NCCCSC2CCCCC2)C1 ZINC000020240913 555736568 /nfs/dbraw/zinc/73/65/68/555736568.db2.gz XUSHOEPIPIIBMM-QFIPXVFZSA-N 1 0 469.695 5.743 50 0 JKAARO CCCCSCCCNC(=O)[C@@H]1CCC[N@H+](Cc2nc(-c3ccc(CC)cc3)oc2C)C1 ZINC000020240944 555736580 /nfs/dbraw/zinc/73/65/80/555736580.db2.gz MZFZNOPAUPLXEC-HSZRJFAPSA-N 1 0 457.684 5.464 50 0 JKAARO COc1ccc(CCn2c(=S)[nH]nc2C2CC[NH+](Cc3ccc(F)cc3Cl)CC2)cc1OC ZINC000020259059 555744748 /nfs/dbraw/zinc/74/47/48/555744748.db2.gz BPOLOBDYELALTQ-UHFFFAOYSA-N 1 0 491.032 5.373 50 0 JKAARO O=C(c1cc2cc(C3(O)CC[NH+](Cc4ccoc4)CC3)ccc2o1)N1CCC[C@@H](c2ccccc2)CC1 ZINC000020271647 555749005 /nfs/dbraw/zinc/74/90/05/555749005.db2.gz FOKFSGPNGGAWGJ-RUZDIDTESA-N 1 0 498.623 5.919 50 0 JKAARO Cc1nn(-c2ccc(C)cc2)c2nc(C)cc(C(=O)NCC3CC[NH+](Cc4ccc(C)cc4)CC3)c12 ZINC000020284142 555753577 /nfs/dbraw/zinc/75/35/77/555753577.db2.gz DMXODESCMUWQLA-UHFFFAOYSA-N 1 0 481.644 5.296 50 0 JKAARO CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)c2ccc3c(c2)nc2c(c3Cl)CCCC2)cc1 ZINC000020286839 555755385 /nfs/dbraw/zinc/75/53/85/555755385.db2.gz RUBSMVOIXBNACM-UHFFFAOYSA-N 1 0 480.008 5.518 50 0 JKAARO COc1ccc(Nc2c3cc(NC(=O)c4ccc(Cl)nc4)ccc3[nH+]c3c2CCCC3)cc1OC ZINC000020322081 555770902 /nfs/dbraw/zinc/77/09/02/555770902.db2.gz WNMKAUGTTGRRIE-UHFFFAOYSA-N 1 0 488.975 6.175 50 0 JKAARO Cc1ccc(CN2CCSc3ccc(C(=O)NCCC[NH+]4C[C@H](C)C[C@@H](C)C4)cc32)cc1 ZINC000020355100 555782382 /nfs/dbraw/zinc/78/23/82/555782382.db2.gz CJASFYMDBOXPNL-FGZHOGPDSA-N 1 0 451.680 5.205 50 0 JKAARO Cc1cccc(CN2c3ccccc3O/C(=C/c3ccc(C(=O)NCCC[NH+]4CCCC4)cc3)C2=O)c1 ZINC000020355186 555782788 /nfs/dbraw/zinc/78/27/88/555782788.db2.gz PNIFVJBMYUEWHA-XHLNEMQHSA-N 1 0 495.623 5.177 50 0 JKAARO Cc1ccc(/C=C2/Sc3ccc(C(=O)NCCC[N@@H+](C)C4CCCCC4)cc3NC2=O)cc1 ZINC000020355332 555782987 /nfs/dbraw/zinc/78/29/87/555782987.db2.gz GZSYNOOTEBZBBO-KOEQRZSOSA-N 1 0 463.647 5.465 50 0 JKAARO C[NH+](C)CCN(C(=O)c1ccc2ccccc2c1)c1nc2ccc(Br)cc2s1 ZINC000011612413 555789791 /nfs/dbraw/zinc/78/97/91/555789791.db2.gz XEKINHAGHIBWOP-UHFFFAOYSA-N 1 0 454.393 5.420 50 0 JKAARO C[NH+](C)CCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000011614389 555790967 /nfs/dbraw/zinc/79/09/67/555790967.db2.gz MEQKQOKWAFKGGX-VWLOTQADSA-N 1 0 488.971 5.132 50 0 JKAARO CC[C@@H](NC(=O)NC12CC3CC(CC(C3)C1)C2)c1c2c(sc1-n1cccc1)C[N@@H+](C)CC2 ZINC000020532137 555799952 /nfs/dbraw/zinc/79/99/52/555799952.db2.gz DXFCFIHSYIARER-LPOHCXMGSA-N 1 0 452.668 5.246 50 0 JKAARO CCOC(=O)c1c(NC(=O)N2CCC[C@@H](C[N@@H+]3CCc4ccccc4C3)C2)sc2c1CCCC2 ZINC000020532118 555799965 /nfs/dbraw/zinc/79/99/65/555799965.db2.gz BMUSBBAXQRVKBE-IBGZPJMESA-N 1 0 481.662 5.106 50 0 JKAARO CC[C@H](NC(=O)NC12CC3CC(CC(C3)C1)C2)c1c2c(sc1-n1cccc1)C[N@@H+](C)CC2 ZINC000020532138 555799993 /nfs/dbraw/zinc/79/99/93/555799993.db2.gz DXFCFIHSYIARER-IMBGCFGXSA-N 1 0 452.668 5.246 50 0 JKAARO CC[C@@H](NC(=O)Nc1cc(Cl)c(OC)cc1OC)c1c2c(sc1-n1cccc1)C[N@@H+](C)CC2 ZINC000020532129 555800018 /nfs/dbraw/zinc/80/00/18/555800018.db2.gz NDLIUKAURBQSAF-QGZVFWFLSA-N 1 0 489.041 5.470 50 0 JKAARO COc1ccc(NC(=O)N[C@H](CCC(C)C)c2c3c(sc2-n2cccc2)C[N@@H+](C)CC3)cc1 ZINC000020532164 555800477 /nfs/dbraw/zinc/80/04/77/555800477.db2.gz MAOCLLKCDGFUIZ-JOCHJYFZSA-N 1 0 466.651 5.834 50 0 JKAARO CC[N@@H+]1CCc2c(sc(-n3cccc3)c2[C@H](CCC(C)C)NC(=O)NCc2ccccc2)C1 ZINC000020532202 555801020 /nfs/dbraw/zinc/80/10/20/555801020.db2.gz AKIKVGYDLJAEFX-QHCPKHFHSA-N 1 0 464.679 5.894 50 0 JKAARO CC[C@@H](NC(=O)Nc1cc(OC)cc(OC)c1)c1c2c(sc1-n1cccc1)C[N@@H+](CC)CC2 ZINC000020532221 555801198 /nfs/dbraw/zinc/80/11/98/555801198.db2.gz GOIGSODDLYIRCB-OAQYLSRUSA-N 1 0 468.623 5.207 50 0 JKAARO CC[N@@H+]1CCc2c(sc(-n3cccc3)c2[C@H](C)NC(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000020532228 555801360 /nfs/dbraw/zinc/80/13/60/555801360.db2.gz WVECSKHINVWQHB-HNNXBMFYSA-N 1 0 459.015 5.462 50 0 JKAARO CC[NH+](CC)CCCNC(=O)c1ccc(CSc2nc3cccnc3n2Cc2ccccc2)cc1 ZINC000020532313 555801732 /nfs/dbraw/zinc/80/17/32/555801732.db2.gz GCBZPTNEQCXPDO-UHFFFAOYSA-N 1 0 487.673 5.234 50 0 JKAARO CCCn1ncc(C[NH+]2CCC(C(=O)Nc3ccc(Oc4ccccc4F)cc3)CC2)c1C ZINC000011714497 555805255 /nfs/dbraw/zinc/80/52/55/555805255.db2.gz JCPFKBGUXVZIKW-UHFFFAOYSA-N 1 0 450.558 5.384 50 0 JKAARO O=C(NCC1(c2ccccc2)CCCC1)[C@@H]1CC12CC[NH+](Cc1c[nH]nc1-c1ccc(F)cc1)CC2 ZINC000011784790 555816574 /nfs/dbraw/zinc/81/65/74/555816574.db2.gz HBMQYOUOBUQHNH-SANMLTNESA-N 1 0 486.635 5.446 50 0 JKAARO CC1(C)C[C@H]([NH2+]C2CCN(c3ccc(NC(=O)Cc4cccc(Cl)c4)cc3)CC2)CCO1 ZINC000011787052 555820627 /nfs/dbraw/zinc/82/06/27/555820627.db2.gz YUEUYBQNNYOQMK-HSZRJFAPSA-N 1 0 456.030 5.037 50 0 JKAARO CCOC(=O)c1c2c(sc1NC(=O)c1ccc(C[N@@H+]3CCc4ccccc4C3)cc1)CCC2 ZINC000020567859 555821077 /nfs/dbraw/zinc/82/10/77/555821077.db2.gz LLBIJEDTBJMZRL-UHFFFAOYSA-N 1 0 460.599 5.224 50 0 JKAARO COc1ccc(C[NH+]2CCC([C@H](Cc3ccccc3)N(C(=O)c3ccco3)C3CC3)CC2)cc1C ZINC000011812988 555828781 /nfs/dbraw/zinc/82/87/81/555828781.db2.gz DSDRZEUWYWGYTL-MHZLTWQESA-N 1 0 472.629 5.725 50 0 JKAARO Fc1ccc(CSc2nnc(C3CC[NH+](Cc4cccc(F)c4)CC3)n2C[C@H]2CCCO2)cc1 ZINC000011813266 555828858 /nfs/dbraw/zinc/82/88/58/555828858.db2.gz AHPGASWAYWPQMY-XMMPIXPASA-N 1 0 484.616 5.407 50 0 JKAARO COc1ccc(C[NH+]2CCC(c3nnc(SCC4CCCCC4)n3C[C@@H]3CCCO3)CC2)cc1C ZINC000011815446 555830173 /nfs/dbraw/zinc/83/01/73/555830173.db2.gz KVSJVQJOOGAYGY-VWLOTQADSA-N 1 0 498.737 5.826 50 0 JKAARO Clc1ccccc1C[NH+]1CCC(c2nnc(SC[C@@H]3CCCO3)n2Cc2ccccc2)CC1 ZINC000011816134 555830827 /nfs/dbraw/zinc/83/08/27/555830827.db2.gz YKMDLLXSNHAFOG-QHCPKHFHSA-N 1 0 483.081 5.631 50 0 JKAARO O=C(/C=C/c1cccs1)Nc1c2ccccc2oc1C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000020576243 555831099 /nfs/dbraw/zinc/83/10/99/555831099.db2.gz RDZLZIPFOSFAEI-ZHACJKMWSA-N 1 0 463.603 5.237 50 0 JKAARO CCOc1ccccc1C[NH+]1CCC([C@H](Cc2ccccc2)N(CC)C(=O)C2CCOCC2)CC1 ZINC000011840658 555833596 /nfs/dbraw/zinc/83/35/96/555833596.db2.gz LRCCMMIXRMTCED-NDEPHWFRSA-N 1 0 478.677 5.184 50 0 JKAARO COc1ccc(CN2C(=O)N(C)C3(CC[NH+](Cc4ccc(-c5cccc(Cl)c5)o4)CC3)C2=O)cc1 ZINC000014733848 555839143 /nfs/dbraw/zinc/83/91/43/555839143.db2.gz XNCWPYNUZPXSLT-UHFFFAOYSA-N 1 0 493.991 5.037 50 0 JKAARO Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)NCCCN3CC[NH+](Cc4ccccc4)CC3)cc12 ZINC000020597575 555839411 /nfs/dbraw/zinc/83/94/11/555839411.db2.gz KSBKDPIOZHKUFT-UHFFFAOYSA-N 1 0 494.683 5.244 50 0 JKAARO Fc1ccc([C@H](c2nnc(-c3ccccc3)o2)N2CC[NH+](C3CCCCC3)CC2)c(Cl)c1 ZINC000020602840 555843820 /nfs/dbraw/zinc/84/38/20/555843820.db2.gz DYRFJHWVOYPLRH-HSZRJFAPSA-N 1 0 454.977 5.569 50 0 JKAARO c1csc(C[NH+]2CCC(c3nnc(SC[C@@H]4CCCO4)n3Cc3ccccc3)CC2)c1 ZINC000011871440 555846713 /nfs/dbraw/zinc/84/67/13/555846713.db2.gz AGVWPPXEKWFZIO-NRFANRHFSA-N 1 0 454.665 5.039 50 0 JKAARO Cc1ccnc(S[C@@H]2C[C@@H](C(=O)N(C)Cc3cc4ccccc4s3)[N@@H+](CC3CCCCC3)C2)n1 ZINC000011881120 555849326 /nfs/dbraw/zinc/84/93/26/555849326.db2.gz OYXSNBFFGKOURS-RPWUZVMVSA-N 1 0 494.730 5.774 50 0 JKAARO CN(C(=O)c1cccs1)[C@H](Cc1ccccc1)C1CC[NH+](Cc2ccc3cccnc3c2)CC1 ZINC000011881282 555849572 /nfs/dbraw/zinc/84/95/72/555849572.db2.gz HTPNAQKIDNSIFL-HHHXNRCGSA-N 1 0 469.654 5.892 50 0 JKAARO COc1ccc(-c2cc(C(=O)NC[C@@H](c3ccccc3Cl)[NH+]3CCCCCC3)no2)cc1 ZINC000011905409 555853442 /nfs/dbraw/zinc/85/34/42/555853442.db2.gz UDHZIBAJAONAJF-QHCPKHFHSA-N 1 0 453.970 5.351 50 0 JKAARO COc1ccc([C@@H](CNC(=O)c2ccccc2SCc2cccs2)[NH+]2CCCC2)cc1 ZINC000021912005 555857152 /nfs/dbraw/zinc/85/71/52/555857152.db2.gz UDXVZXXDPQLVHJ-HSZRJFAPSA-N 1 0 452.645 5.616 50 0 JKAARO COc1ccccc1NC(=O)c1cc2cc(C3(O)CC[NH+](Cc4ccsc4)CC3)ccc2o1 ZINC000011910218 555857392 /nfs/dbraw/zinc/85/73/92/555857392.db2.gz BRBBSNCBNIEPTJ-UHFFFAOYSA-N 1 0 462.571 5.239 50 0 JKAARO O=C(NC[C@@H]1CCC2(CC[NH+](Cc3ccc(OCc4ccccc4)cc3)CC2)O1)c1ccccc1 ZINC000011910401 555857672 /nfs/dbraw/zinc/85/76/72/555857672.db2.gz QKZMTBZVSDPFJL-NDEPHWFRSA-N 1 0 470.613 5.209 50 0 JKAARO CN(C(=O)c1cccs1)[C@H](Cc1ccccc1)C1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000011910675 555858117 /nfs/dbraw/zinc/85/81/17/555858117.db2.gz QHFNXOOFTQRHQO-XMMPIXPASA-N 1 0 454.586 5.622 50 0 JKAARO COc1ccc(C(=O)N(CC[NH+](C)C)Cc2cc3cccc(C)c3nc2-c2cccc(C)c2)cc1OC ZINC000011910892 555858366 /nfs/dbraw/zinc/85/83/66/555858366.db2.gz KAFFBQNQIUKHGP-UHFFFAOYSA-N 1 0 497.639 5.740 50 0 JKAARO CO[C@H]1[C@H](NC(=O)c2cccs2)c2ccccc2C12CC[NH+](Cc1cccc3cccnc31)CC2 ZINC000011910930 555858578 /nfs/dbraw/zinc/85/85/78/555858578.db2.gz XNWYYCKBGSWHPF-SXOMAYOGSA-N 1 0 483.637 5.330 50 0 JKAARO Cc1nccn1CC[C@H]([NH2+]C1CCN(c2nc(C)c3cc(C)c(F)cc3n2)CC1)c1ccccc1 ZINC000011911766 555859920 /nfs/dbraw/zinc/85/99/20/555859920.db2.gz CNYSNZZSVZUSEL-SANMLTNESA-N 1 0 472.612 5.281 50 0 JKAARO Cc1nccn1CC[C@@H]([NH2+]C1CCN(c2nc(C)c3cc(C)c(F)cc3n2)CC1)c1ccccc1 ZINC000011911767 555859955 /nfs/dbraw/zinc/85/99/55/555859955.db2.gz CNYSNZZSVZUSEL-AREMUKBSSA-N 1 0 472.612 5.281 50 0 JKAARO Cc1nc2sccn2c1C[NH+]1CCC2(C[C@H]2C(=O)NCCC(c2ccccc2)c2ccccc2)CC1 ZINC000011912226 555860636 /nfs/dbraw/zinc/86/06/36/555860636.db2.gz IKSVGCHSRAFLGC-SANMLTNESA-N 1 0 498.696 5.645 50 0 JKAARO Cc1cccc(C[NH+]2CCC(c3nnc(SCC4CCCCC4)n3C[C@@H]3CCCO3)CC2)n1 ZINC000011912871 555862360 /nfs/dbraw/zinc/86/23/60/555862360.db2.gz LLVYHZPARWLTSC-DEOSSOPVSA-N 1 0 469.699 5.213 50 0 JKAARO Cc1cccc(C)c1NC(=O)CN1CC[NH+](CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000022034381 555864818 /nfs/dbraw/zinc/86/48/18/555864818.db2.gz ZBIAKUMOEKILTF-UHFFFAOYSA-N 1 0 491.626 5.750 50 0 world JKAARO Fc1ccc(C(OCCN2CC[NH+](CCCc3ccccc3)CC2)c2ccc(F)cc2)cc1 ZINC000022034135 555864852 /nfs/dbraw/zinc/86/48/52/555864852.db2.gz NAUWTFJOPJWYOT-UHFFFAOYSA-N 1 0 450.573 5.321 50 0 investigational JKAARO Cc1ccc(-n2nc(CN3CC[NH+](Cc4ccccc4)CC3)c(-c3ccccc3)c2N)cc1Cl ZINC000022037832 555865253 /nfs/dbraw/zinc/86/52/53/555865253.db2.gz ROSZAEOIUJRRCS-UHFFFAOYSA-N 1 0 472.036 5.401 50 0 JKAARO COc1ccccc1NC(=O)Nc1ccnn1C1CC[NH+](Cc2cccc(SC)c2)CC1 ZINC000015063126 555866696 /nfs/dbraw/zinc/86/66/96/555866696.db2.gz JKPAOQARXLRNOD-UHFFFAOYSA-N 1 0 451.596 5.095 50 0 JKAARO COC(=O)c1sc2nc(C[N@H+](C)[C@@H](C)c3cccs3)ccc2c1NC(=O)c1ccc(C)cc1 ZINC000015067599 555867476 /nfs/dbraw/zinc/86/74/76/555867476.db2.gz LRTGZLMOULTZMX-INIZCTEOSA-N 1 0 479.627 5.898 50 0 JKAARO C(=C/c1ccco1)\C[NH+]1CCC(c2nnc(SCC3CCCCC3)n2C[C@H]2CCCO2)CC1 ZINC000015071656 555870818 /nfs/dbraw/zinc/87/08/18/555870818.db2.gz SUCDYLXMVFWLJR-QMASLXIKSA-N 1 0 470.683 5.615 50 0 JKAARO Cc1ccc2occ(C[NH+]3CCC4(C[C@@H]4C(=O)NCC4(c5ccccc5)CCCC4)CC3)c(=O)c2c1 ZINC000011971704 555873876 /nfs/dbraw/zinc/87/38/76/555873876.db2.gz JFOHWMXLPAGUEO-AREMUKBSSA-N 1 0 484.640 5.332 50 0 JKAARO Cc1ccc2occ(C[NH+]3CCC4(C[C@H]4C(=O)NCC4(c5ccccc5)CCCC4)CC3)c(=O)c2c1 ZINC000011971714 555873899 /nfs/dbraw/zinc/87/38/99/555873899.db2.gz JFOHWMXLPAGUEO-SANMLTNESA-N 1 0 484.640 5.332 50 0 JKAARO O[C@H](COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000022107311 555874350 /nfs/dbraw/zinc/87/43/50/555874350.db2.gz ICIBSNAOQXRBGZ-MKRRAVBBSA-N 1 0 459.674 5.849 50 0 JKAARO CO[C@H]1[C@H](NC(=O)c2ccsc2)c2ccccc2C12CC[NH+](CCCc1ccccc1)CC2 ZINC000011998712 555881429 /nfs/dbraw/zinc/88/14/29/555881429.db2.gz LXYHIFOZFVWUES-FTJBHMTQSA-N 1 0 460.643 5.214 50 0 JKAARO C[N@H+](Cc1ccc(OC[C@H]2CCCN(C(=O)c3ccco3)C2)cc1)Cc1cccc2ccccc21 ZINC000011999373 555882071 /nfs/dbraw/zinc/88/20/71/555882071.db2.gz XMSBBYJAUMXDQB-DEOSSOPVSA-N 1 0 468.597 5.996 50 0 JKAARO COc1ccccc1C[NH+]1CCC2(CC[C@H](CNC(=O)c3ccc4c(c3)c3ccccc3n4C)O2)CC1 ZINC000012027150 555885993 /nfs/dbraw/zinc/88/59/93/555885993.db2.gz KQOZZSDQHRYYKA-XMMPIXPASA-N 1 0 497.639 5.284 50 0 JKAARO COc1ccccc1C[NH+]1CCC2(CC[C@@H](CNC(=O)c3ccc4c(c3)c3ccccc3n4C)O2)CC1 ZINC000012027144 555885999 /nfs/dbraw/zinc/88/59/99/555885999.db2.gz KQOZZSDQHRYYKA-DEOSSOPVSA-N 1 0 497.639 5.284 50 0 JKAARO Cc1cc(C[NH+]2CCC([C@@H](Cc3ccc(F)cc3F)N(C)C(=O)c3ccco3)CC2)cc(C)c1O ZINC000012035398 555888543 /nfs/dbraw/zinc/88/85/43/555888543.db2.gz HYGLDJXVLSLLPB-RUZDIDTESA-N 1 0 482.571 5.476 50 0 JKAARO O=C(OC[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1 ZINC000015276454 555892038 /nfs/dbraw/zinc/89/20/38/555892038.db2.gz HXNGFYZLCLPCNU-BVAGGSTKSA-N 1 0 466.585 5.485 50 0 biogenic,in-vitro JKAARO O=C(OC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1 ZINC000015276453 555892070 /nfs/dbraw/zinc/89/20/70/555892070.db2.gz HXNGFYZLCLPCNU-OZXSUGGESA-N 1 0 466.585 5.485 50 0 biogenic,in-vitro JKAARO CO[C@H]1[C@H](NC(=O)Cc2cccs2)c2ccccc2C12CC[NH+](Cc1ccc(C)cc1)CC2 ZINC000012041455 555893973 /nfs/dbraw/zinc/89/39/73/555893973.db2.gz PZFWASRKJQHTQO-SXOMAYOGSA-N 1 0 460.643 5.019 50 0 JKAARO COc1cccc(OC)c1C[NH+]1CCC([C@@H](Cc2ccccc2Cl)N(C)C(=O)c2ccco2)CC1 ZINC000012041784 555894436 /nfs/dbraw/zinc/89/44/36/555894436.db2.gz AFGFUCPXPWSBFV-XMMPIXPASA-N 1 0 497.035 5.546 50 0 JKAARO O=C([C@@H]1CC12CC[NH+](Cc1cccc(Oc3ccccc3)c1)CC2)N1CCc2ccccc2C1 ZINC000012051545 555896327 /nfs/dbraw/zinc/89/63/27/555896327.db2.gz QGOPICOYXGDVHU-NDEPHWFRSA-N 1 0 452.598 5.666 50 0 JKAARO CO[C@H]1[C@H](NC(=O)c2cccs2)c2ccccc2C12CC[NH+](Cc1c(F)cccc1F)CC2 ZINC000012052728 555896769 /nfs/dbraw/zinc/89/67/69/555896769.db2.gz CLQXIEXIPKTSLX-RPWUZVMVSA-N 1 0 468.569 5.060 50 0 JKAARO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2cc(-c3cccs3)nn2-c2ccccc2)CC1 ZINC000015317849 555896976 /nfs/dbraw/zinc/89/69/76/555896976.db2.gz IGBCHXVLTRWLGV-UHFFFAOYSA-N 1 0 478.021 5.258 50 0 JKAARO O=C(OC[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2n1 ZINC000015319756 555897530 /nfs/dbraw/zinc/89/75/30/555897530.db2.gz PMRMMWVUQKTXJX-UZLBHIALSA-N 1 0 492.929 5.490 50 0 JKAARO O=C([C@H]1CC12CC[NH+](Cc1ccc(-c3cccc(Cl)c3)o1)CC2)N1CCN(c2ccccc2)CC1 ZINC000012056193 555898451 /nfs/dbraw/zinc/89/84/51/555898451.db2.gz SBJHVGPCOWCRNE-AREMUKBSSA-N 1 0 490.047 5.551 50 0 JKAARO C[N@@H+]1CCC[C@@H](COc2cc(-c3cccc(Cl)c3)cc3c2OCCN(C(=O)c2cccnc2)C3)C1 ZINC000012097154 555904471 /nfs/dbraw/zinc/90/44/71/555904471.db2.gz WYTQCLIBVFXFQD-HXUWFJFHSA-N 1 0 492.019 5.157 50 0 JKAARO CCO[C@H]1[C@H](NC(=O)c2ccco2)c2ccccc2C12CC[NH+](Cc1c(C)nn(C(C)C)c1C)CC2 ZINC000012099279 555906774 /nfs/dbraw/zinc/90/67/74/555906774.db2.gz MKQWEOXVNMEFGH-SXOMAYOGSA-N 1 0 490.648 5.097 50 0 JKAARO C[C@H]1CCC[N@H+](Cc2cc(-c3ccc4c(c3)OCO4)ccc2OCC(=O)N(C)Cc2ccsc2)C1 ZINC000012099503 555906787 /nfs/dbraw/zinc/90/67/87/555906787.db2.gz NENUIJRJMPPSHP-FQEVSTJZSA-N 1 0 492.641 5.413 50 0 JKAARO CN(C(=O)c1ccco1)[C@@H](Cc1ccccc1Cl)C1CC[NH+](Cc2cccc3ncccc23)CC1 ZINC000012122472 555909624 /nfs/dbraw/zinc/90/96/24/555909624.db2.gz YHGHACBJMIJUEI-MHZLTWQESA-N 1 0 488.031 6.077 50 0 JKAARO Cn1c(SC[C@H]2CCCO2)nnc1C1CC[NH+](Cc2ccc(-c3cccc(Cl)c3)o2)CC1 ZINC000012130584 555911703 /nfs/dbraw/zinc/91/17/03/555911703.db2.gz LREHISQULGNVLJ-OAQYLSRUSA-N 1 0 473.042 5.379 50 0 JKAARO C[NH+](C)CCCN(C(=O)c1ccc(Cl)cc1)c1nc2ccc(Br)cc2s1 ZINC000012140943 555920129 /nfs/dbraw/zinc/92/01/29/555920129.db2.gz OHLCXMFXIYTEAP-UHFFFAOYSA-N 1 0 452.805 5.311 50 0 JKAARO C[NH+](C)CCCN(C(=O)c1cccc(Br)c1)c1nc2ccc(Cl)cc2s1 ZINC000012140932 555920143 /nfs/dbraw/zinc/92/01/43/555920143.db2.gz PFTOOPXTALUOJM-UHFFFAOYSA-N 1 0 452.805 5.311 50 0 JKAARO C[NH+](C)CCCN(C(=O)c1ccc(C(=O)c2ccccc2)cc1)c1nc2ccc(F)cc2s1 ZINC000012140922 555920144 /nfs/dbraw/zinc/92/01/44/555920144.db2.gz BSNKIGHVDRDLII-UHFFFAOYSA-N 1 0 461.562 5.265 50 0 JKAARO C[NH+](C)CCCN(C(=O)c1ccc(Br)cc1)c1nc2ccc(Cl)cc2s1 ZINC000012140931 555920148 /nfs/dbraw/zinc/92/01/48/555920148.db2.gz SEINEGVIKROMMX-UHFFFAOYSA-N 1 0 452.805 5.311 50 0 JKAARO C[NH+](C)CCCN(C(=O)c1ccc(Br)s1)c1nc2ccc(Cl)cc2s1 ZINC000012140935 555920169 /nfs/dbraw/zinc/92/01/69/555920169.db2.gz XWBRDCCKIJACAO-UHFFFAOYSA-N 1 0 458.834 5.372 50 0 JKAARO Cc1occc1C(=O)N(C)[C@@H](Cc1ccccc1F)C1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000012149346 555921398 /nfs/dbraw/zinc/92/13/98/555921398.db2.gz VFWSJBWPUREKQN-NDEPHWFRSA-N 1 0 485.603 5.871 50 0 JKAARO COc1ccc(C[NH+]2CCC(c3nnc(SCc4cccnc4)n3Cc3ccccc3)CC2)cc1 ZINC000012152237 555925953 /nfs/dbraw/zinc/92/59/53/555925953.db2.gz SQCXJHURYRPKSD-UHFFFAOYSA-N 1 0 485.657 5.402 50 0 JKAARO COc1ccc2cc(CN(CC[NH+](C)C)C(=O)c3cccc(Cl)c3)c(-c3cccs3)nc2c1 ZINC000012152872 555927269 /nfs/dbraw/zinc/92/72/69/555927269.db2.gz JVDGSSHLSWJSKS-UHFFFAOYSA-N 1 0 480.033 5.829 50 0 JKAARO C/C(=C\c1ccccc1)C[N@H+]1CCc2nnc([C@H](CC(C)C)NC(=O)c3cc(C)cc(C)c3)n2CC1 ZINC000012157836 555929311 /nfs/dbraw/zinc/92/93/11/555929311.db2.gz AGPSQIUFHFOWSB-OXIKZWMZSA-N 1 0 485.676 5.374 50 0 JKAARO CCOc1cc(C[NH+]2CCC3(C[C@H]3C(=O)NCCC(c3ccccc3)c3ccccc3)CC2)ccc1O ZINC000012166579 555933138 /nfs/dbraw/zinc/93/31/38/555933138.db2.gz QOVRSTHZLVICMN-NDEPHWFRSA-N 1 0 498.667 5.731 50 0 JKAARO C[C@@H](c1cccs1)[N@H+](C)Cc1cc(-c2ccccc2)ccc1OCC(=O)NCc1ccncc1 ZINC000012167560 555933390 /nfs/dbraw/zinc/93/33/90/555933390.db2.gz AOIYZTMGLWBVNY-NRFANRHFSA-N 1 0 471.626 5.698 50 0 JKAARO CC(=O)Nc1ccc(C[NH+]2CCC3(C[C@H]3C(=O)NCCC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000012167822 555933728 /nfs/dbraw/zinc/93/37/28/555933728.db2.gz ITICAZPBGGEBTQ-PMERELPUSA-N 1 0 495.667 5.586 50 0 JKAARO C[C@@H]1CCC[C@@H](C)[NH+]1CCCN1C(=O)c2cc3occc3n2C[C@@]1(C)C(=O)NC1CCCCCCC1 ZINC000015675669 555934229 /nfs/dbraw/zinc/93/42/29/555934229.db2.gz AUUUCHCGFJPFFD-QLVXXPONSA-N 1 0 496.696 5.331 50 0 JKAARO CC[C@H]1CCCC[N@@H+]1CCCN1C(=O)c2cc3occc3n2C[C@@]1(C)C(=O)NC1CCCCCCC1 ZINC000015675643 555934243 /nfs/dbraw/zinc/93/42/43/555934243.db2.gz USBLMRWLZXNQLB-IADCTJSHSA-N 1 0 496.696 5.333 50 0 JKAARO Cc1cc2c(cc3n2C[C@](C)(C(=O)NC2CCCCCCC2)N(CCC[NH+]2CCCCCC2)C3=O)o1 ZINC000015675842 555934883 /nfs/dbraw/zinc/93/48/83/555934883.db2.gz VLQWYQHLDVKHFG-GDLZYMKVSA-N 1 0 496.696 5.252 50 0 JKAARO Cc1cc2c(cc3n2C[C@](C)(C(=O)NC2CCCCCC2)N(CC[NH+](CC(C)C)CC(C)C)C3=O)o1 ZINC000015675937 555935387 /nfs/dbraw/zinc/93/53/87/555935387.db2.gz BFLBLJLIZXEDLE-GDLZYMKVSA-N 1 0 498.712 5.210 50 0 JKAARO CC1(C)C[C@@H]([NH2+]Cc2cc3cc4c(cc3n(Cc3cccc(C(F)(F)F)c3)c2=O)CCC4)CCO1 ZINC000012191662 555939106 /nfs/dbraw/zinc/93/91/06/555939106.db2.gz CIIDQJQTPIHCAB-DEOSSOPVSA-N 1 0 484.562 5.605 50 0 JKAARO COc1ccccc1OC1CC[NH+](C2CCN(c3cccc(NC(=O)CC4CCCC4)c3)CC2)CC1 ZINC000012212057 555943331 /nfs/dbraw/zinc/94/33/31/555943331.db2.gz IDKFFJPQQZCLIB-UHFFFAOYSA-N 1 0 491.676 5.726 50 0 JKAARO O=C(NCC1(c2ccccc2)CCCC1)[C@@H]1CC12CC[NH+](Cc1c[nH]nc1-c1ccccc1)CC2 ZINC000012242419 555945867 /nfs/dbraw/zinc/94/58/67/555945867.db2.gz DOOQLLCGQNJTDD-SANMLTNESA-N 1 0 468.645 5.307 50 0 JKAARO COC(=O)c1sc2nc(C[N@@H+]3CCC[C@@H](C)C3)ccc2c1NC(=O)c1ccccc1Cl ZINC000012242950 555946124 /nfs/dbraw/zinc/94/61/24/555946124.db2.gz CDSBIUDMFPPPGC-CQSZACIVSA-N 1 0 457.983 5.221 50 0 JKAARO Cc1ccc(NC(=O)N(Cc2ccc3c(c2)OCO3)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000015679715 555946543 /nfs/dbraw/zinc/94/65/43/555946543.db2.gz WMCNERYGGGWVHI-UHFFFAOYSA-N 1 0 457.574 5.422 50 0 JKAARO Cc1cc(C)cc(NC(=O)N(Cc2ccc3c(c2)OCO3)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000015679714 555946560 /nfs/dbraw/zinc/94/65/60/555946560.db2.gz DRPPLNCCZCVSAJ-UHFFFAOYSA-N 1 0 471.601 5.731 50 0 JKAARO O=C(Nc1ccc(Cl)cc1)N(Cc1ccc2c(c1)OCO2)C1CC[NH+](Cc2ccccc2)CC1 ZINC000015679711 555946587 /nfs/dbraw/zinc/94/65/87/555946587.db2.gz GHDAZJGALOUCTQ-UHFFFAOYSA-N 1 0 477.992 5.767 50 0 JKAARO C[C@H](Cc1ccsc1)[NH2+]C1CCN(c2ccc(NC(=O)Cc3cccc(Cl)c3)cc2)CC1 ZINC000012247826 555946975 /nfs/dbraw/zinc/94/69/75/555946975.db2.gz XAFXVCDSBAHJFE-LJQANCHMSA-N 1 0 468.066 5.772 50 0 JKAARO CCn1c2ccccc2c2cc(C[NH+]3CCC4(C[C@H]4C(=O)NCCCc4ccncc4)CC3)ccc21 ZINC000012247837 555946998 /nfs/dbraw/zinc/94/69/98/555946998.db2.gz GGYFFENKVZJFMT-MHZLTWQESA-N 1 0 480.656 5.561 50 0 JKAARO Cc1nn(-c2ccc(C)cc2)c(-n2cccc2)c1C(=O)NCCC[N@H+](Cc1ccccc1)C(C)C ZINC000015681421 555950345 /nfs/dbraw/zinc/95/03/45/555950345.db2.gz NLRYOXAAWSCHLQ-UHFFFAOYSA-N 1 0 469.633 5.310 50 0 JKAARO Cc1oc(-c2ccc(C(=O)NCCC[NH+]3CCCCC3)cc2)nc1CSc1ccc(C)cc1 ZINC000015682195 555951471 /nfs/dbraw/zinc/95/14/71/555951471.db2.gz CVCYGVNXHFBBOP-UHFFFAOYSA-N 1 0 463.647 5.857 50 0 JKAARO Cc1oc(-c2ccc(C(=O)NCC[NH+]3CCCCCC3)cc2)nc1CSc1ccc(C)cc1 ZINC000015682199 555951503 /nfs/dbraw/zinc/95/15/03/555951503.db2.gz UUECOWZKTHCZAW-UHFFFAOYSA-N 1 0 463.647 5.857 50 0 JKAARO Cc1oc(-c2ccc(C(=O)NCCC[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)nc1COc1ccc(C)cc1 ZINC000015682142 555951529 /nfs/dbraw/zinc/95/15/29/555951529.db2.gz NOULYPZJGSRMQL-FGZHOGPDSA-N 1 0 475.633 5.635 50 0 JKAARO Cc1oc(-c2ccc(C(=O)NCCC[N@H+]3[C@H](C)CCC[C@@H]3C)cc2)nc1CSc1ccccc1 ZINC000015682256 555951773 /nfs/dbraw/zinc/95/17/73/555951773.db2.gz XKMNOQMBMAPTML-OYRHEFFESA-N 1 0 477.674 6.325 50 0 JKAARO COCC[NH+]1CCN([C@H](C)c2cc(Cl)ccc2Sc2ccc(Cl)c(Cl)c2)CC1 ZINC000022789137 555954802 /nfs/dbraw/zinc/95/48/02/555954802.db2.gz YYYQCJRFRWSBHS-OAHLLOKOSA-N 1 0 459.870 6.123 50 0 JKAARO CC1=C(C)[C@H]([NH2+]C[C@]2(C)CCC[C@]3(C)c4ccc(C(C)C)cc4CC[C@@H]23)N(C[C@@H]2CCCO2)C1=O ZINC000012345159 555956276 /nfs/dbraw/zinc/95/62/76/555956276.db2.gz SOKAJMCFNYVCHY-OSXRZYMSSA-N 1 0 478.721 6.094 50 0 JKAARO CN1CC[NH+]([C@@H](CNc2nc(-c3cccnc3)nc3sc4c(c32)CCCC4)c2cccs2)CC1 ZINC000022917274 555970983 /nfs/dbraw/zinc/97/09/83/555970983.db2.gz OOUVXDFITDFQRT-FQEVSTJZSA-N 1 0 490.702 5.094 50 0 JKAARO CC[NH+]1CCN([C@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)c2ccc(OC)cc2)CC1 ZINC000022917887 555971967 /nfs/dbraw/zinc/97/19/67/555971967.db2.gz XGJZTPYEAMPUGE-VWLOTQADSA-N 1 0 463.647 5.353 50 0 JKAARO CCCn1c(Cc2ccccc2)nn(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1=S ZINC000022918441 555972487 /nfs/dbraw/zinc/97/24/87/555972487.db2.gz QPRSXMCGICLLMU-UHFFFAOYSA-N 1 0 497.712 5.780 50 0 JKAARO O[C@@H](COc1ccc2oc3ccccc3c2c1)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022924955 555977275 /nfs/dbraw/zinc/97/72/75/555977275.db2.gz FEZUOGZGLNJDFT-AREMUKBSSA-N 1 0 492.619 5.733 50 0 JKAARO Fc1ccc(CCC[NH+]2CCN(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000022925595 555977897 /nfs/dbraw/zinc/97/78/97/555977897.db2.gz OEZGWIMXRXRLRR-UHFFFAOYSA-N 1 0 468.563 5.460 50 0 JKAARO O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)C1CCN(c2ccc(-c3cccs3)nn2)CC1 ZINC000015734926 555980871 /nfs/dbraw/zinc/98/08/71/555980871.db2.gz XZSHFUPYZJQMNG-UHFFFAOYSA-N 1 0 461.635 5.046 50 0 JKAARO Cc1ccc(C(=O)Nc2ccc(N3CCC([NH+]4CCC([C@@H](O)c5ccccc5)CC4)CC3)cc2)c(C)c1 ZINC000012453581 555981214 /nfs/dbraw/zinc/98/12/14/555981214.db2.gz UXTSXQZXYVWRQT-HKBQPEDESA-N 1 0 497.683 5.970 50 0 JKAARO Cc1ccc(C(=O)N2CCC[C@@H](COc3ccc(C[N@H+](C)CCc4ccccn4)cc3)C2)s1 ZINC000012455953 555981621 /nfs/dbraw/zinc/98/16/21/555981621.db2.gz XFGMOUCVJJRZOG-HSZRJFAPSA-N 1 0 463.647 5.057 50 0 JKAARO O=C1C[C@H](N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000022932066 555984904 /nfs/dbraw/zinc/98/49/04/555984904.db2.gz DHMYCBSYZHBORE-DEOSSOPVSA-N 1 0 494.422 5.033 50 0 JKAARO Cc1sc(NC(=O)c2ccco2)c([C@H](c2ccc3c(c2)OCCO3)[NH+]2C[C@H](C)C[C@@H](C)C2)c1C ZINC000012485479 555987270 /nfs/dbraw/zinc/98/72/70/555987270.db2.gz XRXVBSQYFGNTKU-BFIDETRKSA-N 1 0 480.630 6.049 50 0 JKAARO CCC[NH+]1CCN(CCCNC(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)CC1 ZINC000022938147 555991153 /nfs/dbraw/zinc/99/11/53/555991153.db2.gz KJBDSWSCGYODRT-UHFFFAOYSA-N 1 0 493.655 5.111 50 0 JKAARO COc1cc([C@H]2[NH2+]C[C@H](c3ccc(Cl)cc3Cl)c3c4ccccc4[nH]c32)ccc1OCC(C)C ZINC000012529257 555998779 /nfs/dbraw/zinc/99/87/79/555998779.db2.gz FXJIUWCWFITSLG-JIPXPUAJSA-N 1 0 495.450 7.343 50 0 JKAARO CSc1ccc([C@H](c2oc3ccccc3c2NC(=O)c2cccs2)[NH+]2CCC(C)CC2)cc1 ZINC000015859423 556029756 /nfs/dbraw/zinc/02/97/56/556029756.db2.gz WVMVBLQJLVSRQZ-RUZDIDTESA-N 1 0 476.667 7.290 50 0 JKAARO COc1cccc([C@H](c2oc3ccccc3c2NC(=O)c2ccccc2)[NH+]2CCC(C)CC2)c1 ZINC000015859467 556030063 /nfs/dbraw/zinc/03/00/63/556030063.db2.gz FKJNRZHHUQBHER-HHHXNRCGSA-N 1 0 454.570 6.515 50 0 JKAARO CC1CC[NH+]([C@H](c2oc3ccccc3c2NC(=O)c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000015859483 556030075 /nfs/dbraw/zinc/03/00/75/556030075.db2.gz WCNPRQUNIRLLEJ-SANMLTNESA-N 1 0 458.989 7.160 50 0 JKAARO COc1ccc([C@@H](c2oc3ccccc3c2NC(=O)c2ccc(C)cc2)[NH+]2CCC(C)CC2)cc1 ZINC000015859574 556030433 /nfs/dbraw/zinc/03/04/33/556030433.db2.gz MFXYQIHBIKMDBG-NDEPHWFRSA-N 1 0 468.597 6.823 50 0 JKAARO COc1ccc(OC)c([C@@H](c2oc3ccccc3c2NC(=O)c2ccccc2)[NH+]2CCC(C)CC2)c1 ZINC000015859560 556030445 /nfs/dbraw/zinc/03/04/45/556030445.db2.gz HVCWLFAWFJMFMD-NDEPHWFRSA-N 1 0 484.596 6.524 50 0 JKAARO COc1cccc([C@H](c2oc3ccccc3c2NC(=O)c2ccccc2)[NH+]2CCC(C)CC2)c1OC ZINC000015859553 556030485 /nfs/dbraw/zinc/03/04/85/556030485.db2.gz MAKRIPBJMIGLNJ-HHHXNRCGSA-N 1 0 484.596 6.524 50 0 JKAARO COc1ccc(OC)c([C@H](c2oc3ccccc3c2NC(=O)c2ccc(C)cc2)[NH+]2CCC(C)CC2)c1 ZINC000015859625 556031101 /nfs/dbraw/zinc/03/11/01/556031101.db2.gz FKIKGEBAWVPLFA-GDLZYMKVSA-N 1 0 498.623 6.832 50 0 JKAARO Cc1[nH]c2ccc(NC(=O)c3cccc(Cl)c3)cc2c1[C@@H](c1ccccn1)[NH+]1CCCCC1 ZINC000015859774 556031127 /nfs/dbraw/zinc/03/11/27/556031127.db2.gz CDSSWOABXFWFJO-AREMUKBSSA-N 1 0 458.993 6.352 50 0 JKAARO Cc1ccc(Cl)cc1N1CC[NH+](C[C@H](O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)CC1 ZINC000023224672 556032493 /nfs/dbraw/zinc/03/24/93/556032493.db2.gz GCFKWHJPWCVLLE-JFEPRVOOSA-N 1 0 495.107 5.678 50 0 JKAARO COc1ccc(-c2cc(C(=O)NCC[NH+]3CCCCC3)c3cccc(-c4ccc(F)cc4)c3n2)cc1 ZINC000015862937 556036504 /nfs/dbraw/zinc/03/65/04/556036504.db2.gz PKPXEPLMEUUXET-UHFFFAOYSA-N 1 0 483.587 5.932 50 0 JKAARO Cc1oc(-c2cc(C)ccc2C)nc1C[N@@H+]1CCc2c3c(sc2[C@H]1c1ccccc1)CCCC3 ZINC000015864834 556040790 /nfs/dbraw/zinc/04/07/90/556040790.db2.gz NSTLOZXLMKHIOX-MUUNZHRXSA-N 1 0 468.666 7.355 50 0 JKAARO Clc1ccc(C[NH+]2CCC(CNc3ncnc4scc(-c5ccc(Cl)cc5)c43)CC2)cc1 ZINC000015864924 556040886 /nfs/dbraw/zinc/04/08/86/556040886.db2.gz YZFRCFPTQMFDOZ-UHFFFAOYSA-N 1 0 483.468 6.989 50 0 JKAARO CCc1c(C)sc2c1CC[N@H+](Cc1nc(-c3ccc(OC)c(OC)c3)oc1C)[C@@H]2c1ccccc1 ZINC000015864869 556040897 /nfs/dbraw/zinc/04/08/97/556040897.db2.gz YBMXGJFTUABKBS-HHHXNRCGSA-N 1 0 488.653 6.747 50 0 JKAARO CCN(c1ccccc1)S(=O)(=O)c1cc(NC(=O)C[NH2+][C@@H]2CCCc3ccccc32)ccc1Cl ZINC000012555699 556041349 /nfs/dbraw/zinc/04/13/49/556041349.db2.gz NWYUTTDVSKOYFF-XMMPIXPASA-N 1 0 498.048 5.161 50 0 JKAARO C[C@@H](CCc1ccccc1)NC(=O)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000015865858 556042453 /nfs/dbraw/zinc/04/24/53/556042453.db2.gz ABNCJQRCOWKREZ-DEOSSOPVSA-N 1 0 497.658 6.178 50 0 JKAARO CN(Cc1ccco1)C(=O)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000015865851 556042510 /nfs/dbraw/zinc/04/25/10/556042510.db2.gz YQLGXURRQPSTFE-UHFFFAOYSA-N 1 0 459.565 5.292 50 0 JKAARO O=C(C1CC[NH+](Cc2cc3ccccc3n2Cc2ccc(F)cc2)CC1)N1CCc2ccccc2C1 ZINC000015865848 556042520 /nfs/dbraw/zinc/04/25/20/556042520.db2.gz TVLWWRLSOKWYRT-UHFFFAOYSA-N 1 0 481.615 5.626 50 0 JKAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)[nH]n2)cc1 ZINC000023334637 556044096 /nfs/dbraw/zinc/04/40/96/556044096.db2.gz GIYLLIDVDKLHRL-KRWDZBQOSA-N 1 0 471.432 6.045 50 0 JKAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(-c2cc(-c3ccc(N4CCCCC4)cc3)n[nH]2)cc1 ZINC000023336277 556046158 /nfs/dbraw/zinc/04/61/58/556046158.db2.gz DUYJKUYYIJXJPP-HSZRJFAPSA-N 1 0 485.676 5.728 50 0 JKAARO O[C@H](COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C[NH+]1CCN(c2ccccc2)CC1 ZINC000012558987 556049310 /nfs/dbraw/zinc/04/93/10/556049310.db2.gz KMFACRWDKSDXLQ-VWLOTQADSA-N 1 0 471.428 5.283 50 0 JKAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1cc(-c2ccc(F)cc2)nc2ccccc21 ZINC000012561237 556054368 /nfs/dbraw/zinc/05/43/68/556054368.db2.gz IDHSWRAXURQYND-RBJSKKJNSA-N 1 0 451.545 5.797 50 0 JKAARO CCOc1cccc(-c2cccc(-c3nc(C[NH+](CCC(C)C)CCC(C)C)cs3)c2)c1 ZINC000023429227 556055220 /nfs/dbraw/zinc/05/52/20/556055220.db2.gz UTUWASUCMBVTHT-UHFFFAOYSA-N 1 0 450.692 7.770 50 0 JKAARO CCCCCC[N@H+](C)Cc1csc(-c2cccc(-c3ccc(OC)c(OC)c3OC)c2)n1 ZINC000023442669 556061147 /nfs/dbraw/zinc/06/11/47/556061147.db2.gz JNONPKVGDNWGBU-UHFFFAOYSA-N 1 0 454.636 6.515 50 0 JKAARO O=C(c1ccc(OCC[NH+]2CCCCC2)cc1)[C@H]1c2ccc(O)cc2S[C@H]1c1ccc(O)cc1 ZINC000015919387 556066960 /nfs/dbraw/zinc/06/69/60/556066960.db2.gz IKZMTNSYXDOFJH-IAPPQJPRSA-N 1 0 475.610 5.776 50 0 in-vitro JKAARO C[NH+]1C(C)(C)CC(NC(=O)c2ccc(-c3cc(-c4cccc5ccccc54)n[nH]3)cc2)CC1(C)C ZINC000023459959 556071312 /nfs/dbraw/zinc/07/13/12/556071312.db2.gz XNHOQAHCCVRNRF-UHFFFAOYSA-N 1 0 466.629 6.278 50 0 JKAARO CCCCc1ccc(-c2ccc(-n3cncc3C(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc2)cc1 ZINC000023460529 556071693 /nfs/dbraw/zinc/07/16/93/556071693.db2.gz SJHCBXXHBNOCDM-UHFFFAOYSA-N 1 0 492.667 6.276 50 0 JKAARO O=C(NCc1ccc(Cl)cc1)c1cc(N2CC[NH+](Cc3ccccc3)CC2)nc2ccccc21 ZINC000023460202 556071751 /nfs/dbraw/zinc/07/17/51/556071751.db2.gz LEFARBPEDWAZOY-UHFFFAOYSA-N 1 0 471.004 5.140 50 0 JKAARO CC[C@H](C)[N@H+](CCNC(=O)c1ccc2c(c1)NC(=O)c1ccccc1S2)C1CCCCC1 ZINC000015943755 556079449 /nfs/dbraw/zinc/07/94/49/556079449.db2.gz QYJVOLSFWOOVIO-SFHVURJKSA-N 1 0 451.636 5.567 50 0 JKAARO CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC(=O)c4ccccc4Cl)cc2)N3)C1 ZINC000015946381 556082895 /nfs/dbraw/zinc/08/28/95/556082895.db2.gz RGMLTRLRMBECDE-QFIPXVFZSA-N 1 0 482.005 5.816 50 0 JKAARO COc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C(C)C)C4)ccc1OC(=O)c1ccccc1 ZINC000015946375 556082911 /nfs/dbraw/zinc/08/29/11/556082911.db2.gz ZHBZGWVRNMBUAB-HSZRJFAPSA-N 1 0 477.586 5.171 50 0 JKAARO CCOc1ccc(NC(=O)c2c(NC(=O)C[NH2+]Cc3ccccc3)sc3c2CC[C@@H](C)C3)cc1 ZINC000015946842 556084021 /nfs/dbraw/zinc/08/40/21/556084021.db2.gz FEGYTSUNBYXCEP-GOSISDBHSA-N 1 0 477.630 5.252 50 0 JKAARO CCOc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C(C)C)C4)ccc1OCc1ccccc1 ZINC000015947066 556084327 /nfs/dbraw/zinc/08/43/27/556084327.db2.gz HVIPCSKWCZXTMF-RUZDIDTESA-N 1 0 477.630 5.921 50 0 JKAARO CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4cc(Cl)cc(Cl)c4)o2)N3)C1 ZINC000015947086 556084687 /nfs/dbraw/zinc/08/46/87/556084687.db2.gz PENHTNCABBXZHG-FQEVSTJZSA-N 1 0 462.402 6.510 50 0 JKAARO CCOc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](CC)C4)ccc1OC(=O)c1cccs1 ZINC000015947166 556084702 /nfs/dbraw/zinc/08/47/02/556084702.db2.gz BWHKWWNPGCSAEM-NRFANRHFSA-N 1 0 483.615 5.234 50 0 JKAARO C[C@@H]1CCC[C@]2(C)C[C@@H]3OC(=O)[C@@H](C[NH+]4CCN(c5cccc(C(F)(F)F)c5)CC4)[C@@H]3C=C12 ZINC000015955537 556088104 /nfs/dbraw/zinc/08/81/04/556088104.db2.gz VLZRPLWEPPNQPC-LJPCKXNNSA-N 1 0 462.556 5.142 50 0 JKAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)/C(=C\c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000012614686 556091287 /nfs/dbraw/zinc/09/12/87/556091287.db2.gz UKENGNMTXGKIDG-WQYYOASOSA-N 1 0 460.980 6.163 50 0 JKAARO O=C(/C=C/c1cccc(C(F)(F)F)c1)N(c1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000012651284 556098343 /nfs/dbraw/zinc/09/83/43/556098343.db2.gz ATSTVHSBXGUYPN-CCEZHUSRSA-N 1 0 464.531 6.416 50 0 JKAARO Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](c2ccc(Br)cc2)[N@H+]2Cc4ccccc4C[C@@H]32)cc1 ZINC000015987465 556101468 /nfs/dbraw/zinc/10/14/68/556101468.db2.gz IHCCNYSQNVISOB-QORCZRPOSA-N 1 0 487.397 5.045 50 0 JKAARO CC[NH+](CC)CCCn1c(SCC(=O)Nc2cccc(Cl)c2Cl)nc2ccccc2c1=O ZINC000012780540 556111526 /nfs/dbraw/zinc/11/15/26/556111526.db2.gz LJWXSLAHBAVGOC-UHFFFAOYSA-N 1 0 493.460 5.166 50 0 JKAARO C[C@H](OC[C@H](O)C[NH+]1CCC(C(O)(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000016043659 556123423 /nfs/dbraw/zinc/12/34/23/556123423.db2.gz ICEYOUKMGLFQNF-RBISFHTESA-N 1 0 480.048 5.427 50 0 JKAARO COc1ccc(-c2nc(C[NH2+][C@@H](c3ccc4c(c3)OCCCO4)C(C)C)cs2)cc1OC ZINC000012913493 556132671 /nfs/dbraw/zinc/13/26/71/556132671.db2.gz YAPDYRONGWLWGB-XMMPIXPASA-N 1 0 454.592 5.476 50 0 JKAARO COc1ccc(NC(=O)c2ccc(NC(=O)C[NH2+][C@@H](C)c3cccc4ccccc43)cc2)cc1 ZINC000012920901 556139373 /nfs/dbraw/zinc/13/93/73/556139373.db2.gz FRIMNRYVUCTVRA-IBGZPJMESA-N 1 0 453.542 5.390 50 0 JKAARO FC(F)(F)c1cccc(-c2cc(C3CC[NH+](Cc4ccc(Br)cc4)CC3)[nH]n2)c1 ZINC000012956789 556162000 /nfs/dbraw/zinc/16/20/00/556162000.db2.gz ROWJSGLEIXVSFJ-UHFFFAOYSA-N 1 0 464.329 6.238 50 0 JKAARO c1ccc(Oc2ccc(-c3nc4ccccc4c(N4CC[NH+](C5CCCCC5)CC4)n3)cc2)cc1 ZINC000025144849 556183457 /nfs/dbraw/zinc/18/34/57/556183457.db2.gz JGRWGDRGTHPSTQ-UHFFFAOYSA-N 1 0 464.613 6.544 50 0 JKAARO Cc1cc(C)cc(-c2ccc(-n3cncc3C(=O)NC(=O)c3ccc(CC4CC[NH2+]CC4)cc3)cc2)c1 ZINC000025147026 556185579 /nfs/dbraw/zinc/18/55/79/556185579.db2.gz QTCZZDLMSHCHSX-UHFFFAOYSA-N 1 0 492.623 5.268 50 0 JKAARO CC[NH+](CC)CCC[C@H](C)NC(=O)c1nn(Cc2ccccc2)c2nccc(-c3cccs3)c12 ZINC000025150274 556190459 /nfs/dbraw/zinc/19/04/59/556190459.db2.gz DDBCJPRTZVNEDI-FQEVSTJZSA-N 1 0 475.662 5.448 50 0 JKAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cc(C)c2c(-c3ccccc3)nn(-c3cccc(F)c3)c2n1 ZINC000025152459 556193409 /nfs/dbraw/zinc/19/34/09/556193409.db2.gz ARDWGKCUROVQEU-OAQYLSRUSA-N 1 0 487.623 5.775 50 0 JKAARO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cc(C)c2c(-c3ccccc3)nn(-c3cccc(F)c3)c2n1 ZINC000025152463 556193427 /nfs/dbraw/zinc/19/34/27/556193427.db2.gz ARDWGKCUROVQEU-NRFANRHFSA-N 1 0 487.623 5.775 50 0 JKAARO O=C(Nc1ccc2[nH]cc(CC[N@@H+]3CCc4ccccc4C3)c2c1)c1sc2ccccc2c1Cl ZINC000025160882 556199778 /nfs/dbraw/zinc/19/97/78/556199778.db2.gz JJDKDRGYFBCNDT-UHFFFAOYSA-N 1 0 486.040 6.889 50 0 JKAARO Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc12 ZINC000025355048 556210206 /nfs/dbraw/zinc/21/02/06/556210206.db2.gz FZNJDGFOOZEGGZ-UHFFFAOYSA-N 1 0 465.022 5.443 50 0 JKAARO O=C(Nc1ccc(Cl)cc1C(F)(F)F)[C@@H]([NH2+]CC12CC3CC(CC(C3)C1)C2)c1ccccc1 ZINC000025393172 556212761 /nfs/dbraw/zinc/21/27/61/556212761.db2.gz URTMAINKZICZPE-QSHMCURRSA-N 1 0 476.970 6.845 50 0 JKAARO Cc1ccc(-c2nnc([C@H](C)NCc3ccccc3-c3ccc(C[NH+]4CCCC4)cc3)o2)cc1 ZINC000025500791 556218391 /nfs/dbraw/zinc/21/83/91/556218391.db2.gz UEWQIRBZDFMDAV-QFIPXVFZSA-N 1 0 452.602 6.159 50 0 JKAARO Cc1ccc2nc(N(CCC[NH+](C)C)C(=O)c3cc(-c4cccs4)nc4ccccc43)sc2c1 ZINC000017122093 556219503 /nfs/dbraw/zinc/21/95/03/556219503.db2.gz YRXVONMXHVPBLR-UHFFFAOYSA-N 1 0 486.666 6.480 50 0 JKAARO CCC[NH+]1CCC2(CC1)Oc1c(Cl)cc(Cl)cc1[C@H]1CC(c3ccc(Cl)cc3)=NN12 ZINC000025578290 556224379 /nfs/dbraw/zinc/22/43/79/556224379.db2.gz JXSZPRFMCVMKJY-OAQYLSRUSA-N 1 0 464.824 6.392 50 0 JKAARO c1ccc(-c2[s+]c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)cc1 ZINC000025694673 556230817 /nfs/dbraw/zinc/23/08/17/556230817.db2.gz ODWVFZMUGAJBBU-UHFFFAOYSA-N 1 0 477.652 10.364 50 0 JKAARO COc1ccc([C@H](CNC(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)[NH+]2CCCC2)cc1 ZINC000013058005 556253278 /nfs/dbraw/zinc/25/32/78/556253278.db2.gz RTVUVSCCADMYLQ-NDEPHWFRSA-N 1 0 466.585 5.115 50 0 JKAARO COc1cccc([C@@H](CNc2ncnc3scc(-c4ccc(Cl)cc4)c32)[NH+]2CCCC2)c1 ZINC000013068909 556265340 /nfs/dbraw/zinc/26/53/40/556265340.db2.gz KVOFIHWTDDYJAH-JOCHJYFZSA-N 1 0 465.022 6.269 50 0 JKAARO COc1ccc([C@H](CNc2nc(CN3CCC(C)CC3)nc3sc4c(c32)CCC4)[NH+](C)C)cc1 ZINC000013068839 556265365 /nfs/dbraw/zinc/26/53/65/556265365.db2.gz CUDHGURZSCBGIB-QFIPXVFZSA-N 1 0 479.694 5.135 50 0 JKAARO Cc1ccc(C(=O)N/C(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)C(=O)NCC[NH+](C)C)cc1 ZINC000027026002 556272604 /nfs/dbraw/zinc/27/26/04/556272604.db2.gz TYERKMJPCYJFAU-PXLXIMEGSA-N 1 0 486.399 5.011 50 0 JKAARO CSc1ccc2c(c1)N(C(=O)C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1)c1ccccc1S2 ZINC000013074166 556274850 /nfs/dbraw/zinc/27/48/50/556274850.db2.gz KKCHAGPWKGJCTK-AWEZNQCLSA-N 1 0 475.466 7.195 50 0 JKAARO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(NCCSc2ccc(Br)cc2)n1 ZINC000013095872 556289070 /nfs/dbraw/zinc/28/90/70/556289070.db2.gz XWQJFFWCVCOKNI-UHFFFAOYSA-N 1 0 479.513 6.117 50 0 JKAARO C[N@H+](C[C@@H](O)Cn1c(-c2ccccc2)c(-c2ccccc2)c2ccc3ccccc3c21)C1CCCCC1 ZINC000027527964 556289968 /nfs/dbraw/zinc/28/99/68/556289968.db2.gz UGYDDGRDALACKB-GDLZYMKVSA-N 1 0 488.675 7.754 50 0 JKAARO CC1CC[NH+]([C@H](CNC(=O)CCc2ncc(-c3c(F)cccc3F)o2)c2cccs2)CC1 ZINC000027575193 556299484 /nfs/dbraw/zinc/29/94/84/556299484.db2.gz OBLHZBLAIZOPJD-LJQANCHMSA-N 1 0 459.562 5.203 50 0 JKAARO Cc1nc2c(-c3ccccc3)cnn2c(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1C ZINC000027586099 556300404 /nfs/dbraw/zinc/30/04/04/556300404.db2.gz HSEBVQCUWNLEMJ-UHFFFAOYSA-N 1 0 473.624 5.925 50 0 JKAARO CCc1nn2c(nc(C)cc2N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1-c1ccccc1 ZINC000027586251 556300492 /nfs/dbraw/zinc/30/04/92/556300492.db2.gz VNSIUPGMSVBDDV-UHFFFAOYSA-N 1 0 487.651 6.179 50 0 JKAARO Cc1nn2c(nc(-c3ccccc3)cc2N2CC[NH+](Cc3ccccc3)CC2)c1-c1ccccc1 ZINC000027584957 556300600 /nfs/dbraw/zinc/30/06/00/556300600.db2.gz VTFZMIHRYBLGEF-UHFFFAOYSA-N 1 0 459.597 5.694 50 0 JKAARO Cc1c2cc(Br)ccc2oc1C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCCC1 ZINC000027662667 556301959 /nfs/dbraw/zinc/30/19/59/556301959.db2.gz ROERNQNVMSZBOL-NRFANRHFSA-N 1 0 455.396 5.769 50 0 JKAARO Cc1c2ccc(Br)cc2oc1C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCCCC1 ZINC000027662452 556302053 /nfs/dbraw/zinc/30/20/53/556302053.db2.gz ZXRKMMAAUJHUTM-JOCHJYFZSA-N 1 0 469.423 6.159 50 0 JKAARO CCc1ccc(-c2cc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)c3cc(Cl)ccc3n2)cc1 ZINC000018198569 556305616 /nfs/dbraw/zinc/30/56/16/556305616.db2.gz FPNPMXLZFZELBX-UHFFFAOYSA-N 1 0 484.043 6.512 50 0 JKAARO CCN1c2ccccc2SC1=CC=C1CCc2c1cc(-c1ccccc1)[o+]c2-c1ccccc1 ZINC000027988501 556311299 /nfs/dbraw/zinc/31/12/99/556311299.db2.gz CVBNASJJGHIRJC-CZIZESTLSA-N 1 0 460.622 7.795 50 0 JKAARO CC(C)c1ccc(Nc2nnc(SCC(=O)NC3CC[NH+](Cc4ccccc4)CC3)s2)cc1 ZINC000018275104 556318317 /nfs/dbraw/zinc/31/83/17/556318317.db2.gz BWMIZIPNHFQQCZ-UHFFFAOYSA-N 1 0 481.691 5.278 50 0 JKAARO Cc1c2ccc(Br)cc2oc1C(=O)NC[C@@H](c1ccc(C(C)(C)C)cc1)[NH+](C)C ZINC000028290339 556328279 /nfs/dbraw/zinc/32/82/79/556328279.db2.gz YUYDHLUZISRMDR-FQEVSTJZSA-N 1 0 457.412 5.834 50 0 JKAARO Cc1c2ccc(Br)cc2oc1C(=O)NC[C@H](c1ccc(C(C)(C)C)cc1)[NH+]1CCCC1 ZINC000028290372 556328288 /nfs/dbraw/zinc/32/82/88/556328288.db2.gz DBNWNROTAFEYAI-JOCHJYFZSA-N 1 0 483.450 6.368 50 0 JKAARO Cc1c2cc(Br)ccc2oc1C(=O)NC[C@@H](c1ccc(C(C)(C)C)cc1)[NH+]1CCCC1 ZINC000028291790 556328630 /nfs/dbraw/zinc/32/86/30/556328630.db2.gz DZVCBJASUCJYFI-QFIPXVFZSA-N 1 0 483.450 6.368 50 0 JKAARO Cc1oc(-c2cc3c(cc2Cl)OCO3)nc1C[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000019111289 556330952 /nfs/dbraw/zinc/33/09/52/556330952.db2.gz DJDSGUIMOBXUJD-UHFFFAOYSA-N 1 0 450.926 5.288 50 0 JKAARO O[C@H](C[NH2+]C[C@@H]1CCCO1)Cn1c(-c2ccccc2)c(-c2ccccc2)c2ccc3ccccc3c21 ZINC000028296563 556330982 /nfs/dbraw/zinc/33/09/82/556330982.db2.gz XYPVNTBCLNERSY-SXOMAYOGSA-N 1 0 476.620 6.258 50 0 JKAARO CC[C@H](C)[NH2+]C[C@@H](O)Cn1c2ccc(Br)cc2c2cc(Br)ccc21 ZINC000028297141 556331608 /nfs/dbraw/zinc/33/16/08/556331608.db2.gz LRXGAQSCTJRCOM-SWLSCSKDSA-N 1 0 454.206 5.069 50 0 JKAARO CCc1ccc2oc(C(=O)NC[C@@H](c3ccc(C(C)(C)C)cc3)[NH+]3CCCCC3)cc(=O)c2c1 ZINC000028402810 556332277 /nfs/dbraw/zinc/33/22/77/556332277.db2.gz LVLVNKOHAQZEAL-DEOSSOPVSA-N 1 0 460.618 5.610 50 0 JKAARO CC(C)(C)c1ccc([C@@H](CNC(=O)c2cc(=O)c3cc(Cl)ccc3o2)[NH+]2CCCCC2)cc1 ZINC000028402875 556332672 /nfs/dbraw/zinc/33/26/72/556332672.db2.gz NBSLEGAAIQMTSU-JOCHJYFZSA-N 1 0 467.009 5.701 50 0 JKAARO CC(C)c1ccc(CSc2nnc(SCC(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)s2)cc1 ZINC000019317905 556340802 /nfs/dbraw/zinc/34/08/02/556340802.db2.gz PMLZITNBSZBOJU-JOCHJYFZSA-N 1 0 498.743 5.437 50 0 JKAARO CCn1c2ccccc2c2cc(C[NH+]3CCN(Cc4ccc(Br)cc4)CC3)ccc21 ZINC000019369757 556346597 /nfs/dbraw/zinc/34/65/97/556346597.db2.gz NWQBQSOEHWICAQ-UHFFFAOYSA-N 1 0 462.435 5.895 50 0 aggregator JKAARO Cc1cc(C)c2c(CN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)cc(=O)oc2c1C ZINC000019371393 556347084 /nfs/dbraw/zinc/34/70/84/556347084.db2.gz AYSZTLSXILRAML-UHFFFAOYSA-N 1 0 452.598 5.625 50 0 JKAARO CCOCCC[NH2+][C@H](C(=O)Nc1scc(-c2ccccc2)c1C(=O)OCC)c1ccccc1 ZINC000013129751 556353666 /nfs/dbraw/zinc/35/36/66/556353666.db2.gz GUASAOCNUGUWCQ-QHCPKHFHSA-N 1 0 466.603 5.288 50 0 JKAARO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@H]([NH2+]CCCN1CCCCCC1=O)c1ccccc1 ZINC000013131580 556357763 /nfs/dbraw/zinc/35/77/63/556357763.db2.gz AETGUAUNHDTOHK-JOCHJYFZSA-N 1 0 481.946 5.421 50 0 JKAARO CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)[NH2+]C1CCCCCCC1)CN(Cc1ccccc1)CC2 ZINC000013131537 556357819 /nfs/dbraw/zinc/35/78/19/556357819.db2.gz HXXWFYNMBWXYOM-HXUWFJFHSA-N 1 0 497.705 5.513 50 0 JKAARO Cc1ccccc1-c1ccc(C[N@H+]2CCc3nnc([C@@H](NC(=O)c4ccoc4)C(C)C)n3CC2)cc1 ZINC000019739799 556363426 /nfs/dbraw/zinc/36/34/26/556363426.db2.gz YUIXXYJNRSJNPB-MHZLTWQESA-N 1 0 483.616 5.032 50 0 JKAARO COc1ccc(C[NH+](CCc2cccc(Cl)c2)Cc2ccc(OC)c3ccccc23)c2ccccc12 ZINC000019772024 556368818 /nfs/dbraw/zinc/36/88/18/556368818.db2.gz XBSUHUVUFNIMRR-UHFFFAOYSA-N 1 0 496.050 7.909 50 0 JKAARO Cc1coc2c1cc1c(C)c(CCC(=O)NC3CC[NH+](Cc4ccccc4)CC3)c(=O)oc1c2C ZINC000030819170 556374831 /nfs/dbraw/zinc/37/48/31/556374831.db2.gz PLXJGMPFDVLKDP-UHFFFAOYSA-N 1 0 472.585 5.178 50 0 JKAARO CC[NH+](CC)CC[C@]1(c2ccccc2)c2ccccc2N(N(C)Cc2ccc(OC)cc2)C1=O ZINC000031880522 556409385 /nfs/dbraw/zinc/40/93/85/556409385.db2.gz WANFSXZRKANYSW-LJAQVGFWSA-N 1 0 457.618 5.107 50 0 JKAARO CC[NH+](CC)CC[C@@]1(c2ccccc2)c2ccccc2N(N(C)Cc2ccc(Cl)cc2)C1=O ZINC000031880491 556409387 /nfs/dbraw/zinc/40/93/87/556409387.db2.gz SSMPVWCSQTZZNU-MUUNZHRXSA-N 1 0 462.037 5.752 50 0 JKAARO CC[NH+](CC)CC[C@@]1(c2ccccc2)c2ccccc2N(N(C)Cc2cccc(OC)c2OC)C1=O ZINC000031982192 556412234 /nfs/dbraw/zinc/41/22/34/556412234.db2.gz QAHNYLOWHSOTJP-SSEXGKCCSA-N 1 0 487.644 5.115 50 0 JKAARO CC[NH+](CC)CC[C@]1(c2ccccc2)c2ccccc2N(N(C)Cc2cccc(OC)c2OC)C1=O ZINC000031982189 556412293 /nfs/dbraw/zinc/41/22/93/556412293.db2.gz QAHNYLOWHSOTJP-PMERELPUSA-N 1 0 487.644 5.115 50 0 JKAARO C[N+]1=C(/C=C/c2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc2)C(C)(C)c2ccccc21 ZINC000032619748 556451300 /nfs/dbraw/zinc/45/13/00/556451300.db2.gz LPXWNRPYJLUHIP-YTTGMZPUSA-N 1 0 482.651 7.762 50 0 JKAARO COc1ccc([C@@H](CNC(=O)c2cc(-c3ccc(Br)cc3)on2)[NH+]2CCCCC2)cc1 ZINC000032622392 556452079 /nfs/dbraw/zinc/45/20/79/556452079.db2.gz OBPPIGAQHORPJB-JOCHJYFZSA-N 1 0 484.394 5.070 50 0 JKAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCCC1)c1cc(-c2ccc(Br)cc2)on1 ZINC000032622357 556452188 /nfs/dbraw/zinc/45/21/88/556452188.db2.gz AVCUSPXUIWCIRA-OAQYLSRUSA-N 1 0 454.368 5.061 50 0 JKAARO COc1ccc([C@H](CNC(=O)c2cc(-c3ccc(Br)cc3)on2)[NH+]2CCCCC2)cc1 ZINC000032622394 556452222 /nfs/dbraw/zinc/45/22/22/556452222.db2.gz OBPPIGAQHORPJB-QFIPXVFZSA-N 1 0 484.394 5.070 50 0 JKAARO CC[NH+](CC)CCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@@H]1c1ccc(C(C)C)cc1 ZINC000032623151 556453105 /nfs/dbraw/zinc/45/31/05/556453105.db2.gz HYZLFTLMDATWKA-DEOSSOPVSA-N 1 0 467.009 5.847 50 0 JKAARO C[N@H+](Cc1ccccc1NC(=O)c1ccc(-n2cnc3ccccc3c2=O)cc1)C1CCCCC1 ZINC000032900667 556528141 /nfs/dbraw/zinc/52/81/41/556528141.db2.gz LTJALWBVNNOFIG-UHFFFAOYSA-N 1 0 466.585 5.403 50 0 JKAARO Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000032908711 556532444 /nfs/dbraw/zinc/53/24/44/556532444.db2.gz JJUYUULFSTZYDN-UHFFFAOYSA-N 1 0 456.565 5.287 50 0 JKAARO COc1ccc(-c2cn3c4ccc(C(=O)NCCC[NH+]5CCCCCC5)cc4sc3n2)cc1 ZINC000008588710 562941574 /nfs/dbraw/zinc/94/15/74/562941574.db2.gz HFFXYZFPSHTVQT-UHFFFAOYSA-N 1 0 462.619 5.221 50 0 JKAARO CC[C@H](NC(=O)Nc1cc(Cl)ccc1OC)c1c2c(sc1-n1cccc1)C[N@@H+](C)CC2 ZINC000008590208 562942580 /nfs/dbraw/zinc/94/25/80/562942580.db2.gz BSTLHZQINILQCA-KRWDZBQOSA-N 1 0 459.015 5.462 50 0 JKAARO COc1ccc(/C=C/C(=O)Nc2ccc3[nH+]c4c(c(Nc5ccccc5OC)c3c2)CCCC4)cc1 ZINC000008591375 562942863 /nfs/dbraw/zinc/94/28/63/562942863.db2.gz WJECGVPVYPMXIQ-QGOAFFKASA-N 1 0 479.580 6.526 50 0 JKAARO COc1ccccc1Nc1c2cc(NC(=O)c3ccc(OC)c(OC)c3)ccc2[nH+]c2c1CCCC2 ZINC000008591353 562942886 /nfs/dbraw/zinc/94/28/86/562942886.db2.gz LQFSIOHGKAASES-UHFFFAOYSA-N 1 0 483.568 6.135 50 0 JKAARO CCOc1ccccc1C(=O)Nc1ccc2[nH+]c3c(c(Nc4ccc(OC)c(OC)c4)c2c1)CCCC3 ZINC000008599972 562945485 /nfs/dbraw/zinc/94/54/85/562945485.db2.gz FXKJUMGYYNYWFZ-UHFFFAOYSA-N 1 0 497.595 6.525 50 0 JKAARO CC[N@@H+]1CCc2c(sc(-n3cccc3)c2[C@H](C)NC(=O)Nc2ccc(Br)cc2)C1 ZINC000008619120 562948277 /nfs/dbraw/zinc/94/82/77/562948277.db2.gz ZTRTXAPXDPSGPC-HNNXBMFYSA-N 1 0 473.440 5.562 50 0 JKAARO COc1ccc(C)cc1NC(=O)N(Cc1ccc2c(c1)OCO2)C1CC[NH+](Cc2ccccc2)CC1 ZINC000008674059 562950433 /nfs/dbraw/zinc/95/04/33/562950433.db2.gz CPXZLRFNXHTTJC-UHFFFAOYSA-N 1 0 487.600 5.431 50 0 JKAARO COc1cc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)ccc1OCc1ccc(Cl)cc1Cl ZINC000032972168 563109979 /nfs/dbraw/zinc/10/99/79/563109979.db2.gz GWLWYHGBACJBPU-NRFANRHFSA-N 1 0 489.399 5.741 50 0 JKAARO Cc1nn2c(nc(C)c(Cc3ccccc3)c2N2CC[NH+](Cc3ccccc3)CC2)c1-c1ccccc1 ZINC000054274596 569589515 /nfs/dbraw/zinc/58/95/15/569589515.db2.gz VGHMBJBVYDGLPZ-UHFFFAOYSA-N 1 0 487.651 5.926 50 0 JKAARO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1cccc(Br)c1 ZINC000054956595 569590344 /nfs/dbraw/zinc/59/03/44/569590344.db2.gz JJZGULZCCJUWPF-UHFFFAOYSA-N 1 0 450.380 5.024 50 0 JKAARO Fc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000054387949 569590353 /nfs/dbraw/zinc/59/03/53/569590353.db2.gz AJYJQNRZXCDJSN-UHFFFAOYSA-N 1 0 463.560 5.549 50 0 JKAARO COC(=O)c1sc2nc(C[N@H+](C)Cc3ccccc3)ccc2c1NC(=O)c1cccc(C)c1 ZINC000055089243 569590682 /nfs/dbraw/zinc/59/06/82/569590682.db2.gz XHDMBZMOYCJISP-UHFFFAOYSA-N 1 0 459.571 5.276 50 0 JKAARO COC(=O)c1sc2nc(C[N@H+](C)[C@@H](C)c3cccs3)ccc2c1NC(=O)c1cccc(C)c1C ZINC000055343290 569591668 /nfs/dbraw/zinc/59/16/68/569591668.db2.gz FKFRLWIEGDQCMF-KRWDZBQOSA-N 1 0 493.654 6.207 50 0 JKAARO COc1cc2ccccc2cc1C(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000055529240 569592061 /nfs/dbraw/zinc/59/20/61/569592061.db2.gz YNDPDDFRCKOOKO-UHFFFAOYSA-N 1 0 451.570 5.423 50 0 JKAARO COC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(NC(=O)c2ccc(C)c(Cl)c2)c1 ZINC000057222661 569594784 /nfs/dbraw/zinc/59/47/84/569594784.db2.gz VNJDTBIOTVUEFL-UHFFFAOYSA-N 1 0 477.992 5.010 50 0 JKAARO CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)cc1 ZINC000057251286 569594990 /nfs/dbraw/zinc/59/49/90/569594990.db2.gz QFBJBCUVIDZTST-UHFFFAOYSA-N 1 0 486.685 5.433 50 0 JKAARO O=C(CCc1nc2ccccc2s1)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000057270692 569595045 /nfs/dbraw/zinc/59/50/45/569595045.db2.gz RAPSIABQAQARIX-UHFFFAOYSA-N 1 0 456.615 5.190 50 0 JKAARO CCOCc1c2ccccc2oc1C(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000057270698 569595070 /nfs/dbraw/zinc/59/50/70/569595070.db2.gz PBMWXTQBQHIRLL-UHFFFAOYSA-N 1 0 469.585 5.544 50 0 JKAARO COc1cccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2OC32CC[NH+](Cc3ccccc3)CC2)c1 ZINC000008717709 569596741 /nfs/dbraw/zinc/59/67/41/569596741.db2.gz SMEVGMDZXGMQDU-SANMLTNESA-N 1 0 474.004 5.884 50 0 JKAARO Cc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2OC32CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000008717705 569596761 /nfs/dbraw/zinc/59/67/61/569596761.db2.gz MNJQYBSYPLIVRF-SANMLTNESA-N 1 0 458.005 6.184 50 0 JKAARO Cc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2OC32CC[NH+](Cc3ccccc3)CC2)o1 ZINC000008717737 569596763 /nfs/dbraw/zinc/59/67/63/569596763.db2.gz GNPOGMPHMPDNIV-QHCPKHFHSA-N 1 0 492.417 5.886 50 0 JKAARO COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2OC32CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000008717708 569596774 /nfs/dbraw/zinc/59/67/74/569596774.db2.gz GCCUYIMDBWZRAI-AREMUKBSSA-N 1 0 474.004 5.884 50 0 JKAARO COc1ccc(C2=NN3[C@@H](C2)c2cccc(OC)c2OC32CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000008717741 569596815 /nfs/dbraw/zinc/59/68/15/569596815.db2.gz FVDXDMJXMIFHSJ-SANMLTNESA-N 1 0 469.585 5.240 50 0 JKAARO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1ccc(-c2cccc(Cl)c2)o1 ZINC000059108651 569602308 /nfs/dbraw/zinc/60/23/08/569602308.db2.gz QUEGJTFKGAKEDZ-UHFFFAOYSA-N 1 0 471.988 6.175 50 0 JKAARO Cc1ccc(C[NH+]2CCC(CNC(=O)c3ccc4c(c3)NC(=O)/C(=C/c3ccccc3)O4)CC2)cc1 ZINC000032984080 569607296 /nfs/dbraw/zinc/60/72/96/569607296.db2.gz QLVUEYHDJZCYAB-QRQIAZFYSA-N 1 0 481.596 5.009 50 0 JKAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1cccc(Cl)c1)O2 ZINC000032984000 569607342 /nfs/dbraw/zinc/60/73/42/569607342.db2.gz PVELPIPJAPJQTR-MVUTXWCHSA-N 1 0 467.997 5.096 50 0 JKAARO CCOc1cc(-c2cccc(OC)c2)nc2ccc(C(=O)N3CC[NH+](C4CCCCC4)CC3)cc21 ZINC000032986664 569609005 /nfs/dbraw/zinc/60/90/05/569609005.db2.gz QHOSRGYBBCNIPA-UHFFFAOYSA-N 1 0 473.617 5.400 50 0 JKAARO CC1=CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH+]4CCN(c5cccc(C(F)(F)F)c5)CC4)[C@H]3C=C12 ZINC000061997016 569609760 /nfs/dbraw/zinc/60/97/60/569609760.db2.gz OTJIEBRBPKGBEQ-SWXWDQRWSA-N 1 0 460.540 5.062 50 0 biogenic JKAARO Cc1ccc(-c2ccc(Nc3cccc(C(=O)NC4CC[NH+](Cc5ccccc5)CC4)c3)nn2)cc1 ZINC000032996988 569610800 /nfs/dbraw/zinc/61/08/00/569610800.db2.gz LAEQQHTWEBKDGM-UHFFFAOYSA-N 1 0 477.612 5.590 50 0 JKAARO CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)Nc1cc2c(cc1Cl)NC(=O)CO2 ZINC000062569512 569611321 /nfs/dbraw/zinc/61/13/21/569611321.db2.gz ZCAARQWDKGRMKG-UHFFFAOYSA-N 1 0 499.826 5.354 50 0 JKAARO Cc1nc(COc2ccccc2/C=C/C(=O)Nc2cccc(C[NH+]3CCSCC3)c2C)cs1 ZINC000062577408 569611716 /nfs/dbraw/zinc/61/17/16/569611716.db2.gz JKMSGXQWBZCZTD-ZHACJKMWSA-N 1 0 479.671 5.540 50 0 JKAARO NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)cc2)C1 ZINC000062625750 569613457 /nfs/dbraw/zinc/61/34/57/569613457.db2.gz NQNGRZICNMXYTL-HXUWFJFHSA-N 1 0 481.518 5.322 50 0 JKAARO NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)cc2)C1 ZINC000062625748 569613497 /nfs/dbraw/zinc/61/34/97/569613497.db2.gz NQNGRZICNMXYTL-FQEVSTJZSA-N 1 0 481.518 5.322 50 0 JKAARO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1ccc(OCc2cscn2)cc1 ZINC000062733079 569614688 /nfs/dbraw/zinc/61/46/88/569614688.db2.gz PVQQSHBKILYLIS-UHFFFAOYSA-N 1 0 484.625 5.297 50 0 JKAARO CC[N@H+](CCNC(=O)c1cccc(Nc2cc(-c3ccc(F)cc3)ncn2)c1)Cc1ccccc1 ZINC000033010522 569616829 /nfs/dbraw/zinc/61/68/29/569616829.db2.gz FBSFWUYUAUANME-UHFFFAOYSA-N 1 0 469.564 5.278 50 0 JKAARO CC[N@H+](CCNC(=O)c1ccc(Nc2cc(-c3ccc(F)cc3)ncn2)cc1)Cc1ccccc1 ZINC000033010731 569616893 /nfs/dbraw/zinc/61/68/93/569616893.db2.gz WFDJJDMGIMKVCF-UHFFFAOYSA-N 1 0 469.564 5.278 50 0 JKAARO Cc1ccc(-c2nccc(Nc3cccc(C(=O)NC4CC[NH+](Cc5ccccc5)CC4)c3)n2)cc1 ZINC000033025257 569620643 /nfs/dbraw/zinc/62/06/43/569620643.db2.gz CFNOENXGNFAKJT-UHFFFAOYSA-N 1 0 477.612 5.590 50 0 JKAARO CC[N@H+](CCNC(=O)c1cccc(Nc2ccnc(-c3ccccc3)n2)c1)Cc1ccccc1 ZINC000033025403 569620704 /nfs/dbraw/zinc/62/07/04/569620704.db2.gz CAVZWUHYYIZEQK-UHFFFAOYSA-N 1 0 451.574 5.139 50 0 JKAARO CC(=O)Nc1c(-c2ccc(C)cc2)c(C)nn1-c1ccc(C(=O)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000033037181 569621441 /nfs/dbraw/zinc/62/14/41/569621441.db2.gz LBMMWMYZCMLEHQ-UHFFFAOYSA-N 1 0 499.659 5.205 50 0 JKAARO Cc1ccc(-c2nc3sc(N4CC[NH+](C5CCCCC5)CC4)nn3c2NC2CCCC2)cc1C ZINC000064746097 569625191 /nfs/dbraw/zinc/62/51/91/569625191.db2.gz FPHAYXVQGIZUDF-UHFFFAOYSA-N 1 0 478.710 5.884 50 0 JKAARO COc1cccc(-c2nc3sc(N4CC[NH+](C5CCCCC5)CC4)nn3c2NC(C)(C)C)c1 ZINC000064746120 569625322 /nfs/dbraw/zinc/62/53/22/569625322.db2.gz GGNJKWYQXSUBNQ-UHFFFAOYSA-N 1 0 468.671 5.132 50 0 JKAARO Cc1ccc(-c2nc3sc(N4CC[NH+](C5CCCCC5)CC4)nn3c2NC(C)(C)C)cc1C ZINC000064746119 569625326 /nfs/dbraw/zinc/62/53/26/569625326.db2.gz ASJKADQQSJOJQS-UHFFFAOYSA-N 1 0 466.699 5.740 50 0 JKAARO CSc1ccc(-c2nc3sc(N4CC[NH+](C5CCCCC5)CC4)nn3c2NC(C)(C)C)cc1 ZINC000064746118 569625365 /nfs/dbraw/zinc/62/53/65/569625365.db2.gz SVXCMICXZCHKPL-UHFFFAOYSA-N 1 0 484.739 5.845 50 0 JKAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000033693552 569630892 /nfs/dbraw/zinc/63/08/92/569630892.db2.gz PADOVPMRAHXREZ-SQHAQQRYSA-N 1 0 466.560 5.435 50 0 JKAARO O=C(Cn1c(-c2cccs2)cc2ccccc21)NCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000064816490 569633529 /nfs/dbraw/zinc/63/35/29/569633529.db2.gz VPVWGFJGQBZPHZ-UHFFFAOYSA-N 1 0 471.670 5.831 50 0 JKAARO CCN1c2ccccc2O/C1=C\C=C\C1=C/C(=C\c2sc3ccccc3[n+]2CC)CC(C)(C)C1 ZINC000034349813 569639981 /nfs/dbraw/zinc/63/99/81/569639981.db2.gz MEQQNAHVSTXKPU-UHFFFAOYSA-N 1 0 469.674 7.655 50 0 JKAARO Cc1ccc(N2CC[NH+](Cc3ccc(C(=O)NCc4cccc(C(F)(F)F)c4)cc3)CC2)cc1 ZINC000034668277 569640558 /nfs/dbraw/zinc/64/05/58/569640558.db2.gz GQTPTVCSDZAGEO-UHFFFAOYSA-N 1 0 467.535 5.266 50 0 JKAARO COc1ccc(CCNC(=O)[C@H]2CC[C@@H](c3ccccc3)[N@H+](Cc3cccc(OC)c3)C2)cc1 ZINC000034669895 569640809 /nfs/dbraw/zinc/64/08/09/569640809.db2.gz QLGTWQMVYIQEOU-LSYYVWMOSA-N 1 0 458.602 5.016 50 0 JKAARO O=C(NCc1cccc(C(F)(F)F)c1)[C@H]1CC[C@H](c2ccccc2)[N@H+](Cc2ccc(F)cc2F)C1 ZINC000034669762 569640833 /nfs/dbraw/zinc/64/08/33/569640833.db2.gz DUUKCQMWHIVBKA-SQJMNOBHSA-N 1 0 488.500 6.253 50 0 JKAARO CCCNC(=O)[C@H](CC)Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@@H+](Cc1cccc(C)c1)CC2 ZINC000034671706 569640973 /nfs/dbraw/zinc/64/09/73/569640973.db2.gz SQTNFYWNXNCNAR-URLMMPGGSA-N 1 0 456.630 5.826 50 0 JKAARO Cc1ccc(CN(C(=O)c2cccc(F)c2)c2ccc(CC(=O)NCC[NH+]3CCCCC3)cc2)cc1 ZINC000034679793 569642765 /nfs/dbraw/zinc/64/27/65/569642765.db2.gz PWYIPQMUUGSADG-UHFFFAOYSA-N 1 0 487.619 5.126 50 0 JKAARO O=C(Nc1ccc(N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)nc1)c1ccccc1Cl ZINC000034681683 569643337 /nfs/dbraw/zinc/64/33/37/569643337.db2.gz AKBWEZAPJSWIRA-UHFFFAOYSA-N 1 0 455.389 5.353 50 0 JKAARO CC(C)c1ccc(C[N@@H+]2CCCN(c3ccc(NC(=O)c4ccc(F)cc4F)cn3)CC2)cc1 ZINC000034681909 569643623 /nfs/dbraw/zinc/64/36/23/569643623.db2.gz KTSPJIYXEWBVIZ-UHFFFAOYSA-N 1 0 464.560 5.448 50 0 JKAARO CC[C@@H](C(=O)Nc1ccc(N2CCC[N@H+](Cc3ccccc3Cl)CC2)nc1)c1ccccc1 ZINC000034681878 569643626 /nfs/dbraw/zinc/64/36/26/569643626.db2.gz JQCARRYDFJNYKQ-XMMPIXPASA-N 1 0 463.025 5.580 50 0 JKAARO COc1ccc(C[N@@H+]2CCCN(c3ccc(NC(=O)c4ccccc4C(F)(F)F)cn3)CC2)cc1 ZINC000034681946 569643696 /nfs/dbraw/zinc/64/36/96/569643696.db2.gz MMFBUPIMGNCITH-UHFFFAOYSA-N 1 0 484.522 5.074 50 0 JKAARO O=C(Nc1ccc(N2CCC[N@H+](Cc3cccs3)CC2)nc1)c1ccccc1C(F)(F)F ZINC000034681952 569643720 /nfs/dbraw/zinc/64/37/20/569643720.db2.gz WZMFXCAWRZKPDG-UHFFFAOYSA-N 1 0 460.525 5.127 50 0 JKAARO COc1ccccc1C(=O)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000034682674 569643886 /nfs/dbraw/zinc/64/38/86/569643886.db2.gz GFEUIJIPLBXLMI-UHFFFAOYSA-N 1 0 452.957 5.799 50 0 JKAARO COc1cccc(N(C(=O)c2cccc(Cl)c2)C2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)c1 ZINC000034682701 569643931 /nfs/dbraw/zinc/64/39/31/569643931.db2.gz NWWYEORPXVEBBI-UHFFFAOYSA-N 1 0 493.003 5.431 50 0 JKAARO O=C(c1ccccc1)N(c1ccc(F)cc1)C1CC[NH+](Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000034682628 569644004 /nfs/dbraw/zinc/64/40/04/569644004.db2.gz HPBOLEMAPXYNCK-UHFFFAOYSA-N 1 0 480.583 6.929 50 0 JKAARO O=C(c1ccc(F)cc1)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000034682552 569644014 /nfs/dbraw/zinc/64/40/14/569644014.db2.gz IWKHLCKJSXRHTK-UHFFFAOYSA-N 1 0 474.473 6.295 50 0 JKAARO COc1ccc(N(C(=O)c2cccc(C)c2)C2CC[NH+](Cc3ccsc3)CC2)cc1OC ZINC000034682892 569644088 /nfs/dbraw/zinc/64/40/88/569644088.db2.gz WSHKHWMNQPFHPR-UHFFFAOYSA-N 1 0 450.604 5.385 50 0 JKAARO Cc1ccc(N(C(=O)c2cccc(Cl)c2)C2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)cc1 ZINC000034682976 569644128 /nfs/dbraw/zinc/64/41/28/569644128.db2.gz MMMFVZBPSTZHPQ-UHFFFAOYSA-N 1 0 477.004 5.731 50 0 JKAARO COc1ccc(N(C(=O)c2ccc(C)cc2)C2CC[NH+](Cc3cccc(OC)c3OC)CC2)cc1 ZINC000034682830 569644132 /nfs/dbraw/zinc/64/41/32/569644132.db2.gz NXNRAAVTHCDETH-UHFFFAOYSA-N 1 0 474.601 5.332 50 0 JKAARO COc1cccc(C[NH+]2CCC(N(C(=O)c3ccc(C)cc3)c3cccc(C)c3)CC2)c1OC ZINC000034683033 569644144 /nfs/dbraw/zinc/64/41/44/569644144.db2.gz QTUKUQIZCMLKHO-UHFFFAOYSA-N 1 0 458.602 5.632 50 0 JKAARO CCc1ccc(N(C(=O)c2ccccc2)C2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)cc1 ZINC000034683088 569644150 /nfs/dbraw/zinc/64/41/50/569644150.db2.gz BPJCTXIUHIHGJA-UHFFFAOYSA-N 1 0 456.586 5.332 50 0 JKAARO COc1ccc(N(C(=O)c2ccc(C)cc2)C2CC[NH+](Cc3cc(OC)ccc3OC)CC2)cc1 ZINC000034682831 569644164 /nfs/dbraw/zinc/64/41/64/569644164.db2.gz UKQKZCKMYKRRGL-UHFFFAOYSA-N 1 0 474.601 5.332 50 0 JKAARO COc1ccc(N(C(=O)c2ccc(C)cc2)C2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)cc1 ZINC000034682823 569644172 /nfs/dbraw/zinc/64/41/72/569644172.db2.gz SKQVZJRCDCEXOE-UHFFFAOYSA-N 1 0 472.585 5.086 50 0 JKAARO COc1cccc(N(C(=O)c2cccs2)C2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000034683149 569644260 /nfs/dbraw/zinc/64/42/60/569644260.db2.gz XKBMJVYKBCUCBA-UHFFFAOYSA-N 1 0 474.548 6.087 50 0 JKAARO COc1cccc(N(C(=O)c2cccc(Cl)c2)C2CC[NH+](Cc3ccc(O)c(OC)c3)CC2)c1 ZINC000034683621 569644506 /nfs/dbraw/zinc/64/45/06/569644506.db2.gz SMLTTWACOYLOLT-UHFFFAOYSA-N 1 0 480.992 5.374 50 0 JKAARO O=C(NC1CC1)c1ccc(COc2ccc3c(c2)[C@@H](c2ccccc2)[N@@H+](Cc2ccccc2)CC3)o1 ZINC000034685560 569645137 /nfs/dbraw/zinc/64/51/37/569645137.db2.gz CKUHFPZJFFFZIC-SSEXGKCCSA-N 1 0 478.592 5.899 50 0 JKAARO Cc1cccc(C[N@H+]2CCc3ccc(O[C@@H](C)C(=O)NCC4CC4)cc3[C@@H]2c2ccccc2)c1 ZINC000034686581 569645276 /nfs/dbraw/zinc/64/52/76/569645276.db2.gz WFKVJXIUNROEBO-ZTOMLWHTSA-N 1 0 454.614 5.436 50 0 JKAARO O=C(COc1ccc2c(c1)[C@H](c1ccccc1)[N@@H+](Cc1ccccc1)CC2)Nc1cccc(Cl)c1 ZINC000034686587 569645415 /nfs/dbraw/zinc/64/54/15/569645415.db2.gz ZSUHCCPUVHXXBS-PMERELPUSA-N 1 0 483.011 6.505 50 0 JKAARO O=C(c1cccs1)N1C[C@H](C[NH+]2CCN(c3ccccc3)CC2)[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000034698058 569647641 /nfs/dbraw/zinc/64/76/41/569647641.db2.gz MQMSXNNVFXTIQT-URXFXBBRSA-N 1 0 499.602 5.445 50 0 JKAARO O=C(c1ccc(F)cc1)N1C[C@H](C[NH+]2CCC(Cc3ccccc3)CC2)[C@@H](c2ccc(F)cc2)C1 ZINC000034697763 569647663 /nfs/dbraw/zinc/64/76/63/569647663.db2.gz WXETUZXRVQWMJO-LITSAYRRSA-N 1 0 474.595 5.775 50 0 JKAARO O=C(c1cccs1)N1C[C@@H](C[NH+]2CCC(Cc3ccccc3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000034698259 569647667 /nfs/dbraw/zinc/64/76/67/569647667.db2.gz FMYVTWIKZXPOTP-AOYPEHQESA-N 1 0 462.634 5.698 50 0 JKAARO O=C(c1ccc(F)cc1)N1C[C@@H](C[NH+]2CCC(Cc3ccccc3)CC2)[C@@H](c2ccc(F)cc2)C1 ZINC000034697762 569647711 /nfs/dbraw/zinc/64/77/11/569647711.db2.gz WXETUZXRVQWMJO-GGXMVOPNSA-N 1 0 474.595 5.775 50 0 JKAARO O=C(c1cccs1)N1C[C@@H](C[NH+]2CCN(c3ccccc3)CC2)[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000034698055 569647712 /nfs/dbraw/zinc/64/77/12/569647712.db2.gz MQMSXNNVFXTIQT-ZJSXRUAMSA-N 1 0 499.602 5.445 50 0 JKAARO Cc1ccc(C[NH+]2CCC(CNC(=O)c3ccc4nc(Cc5ccccc5)oc4c3)CC2)cc1 ZINC000064967970 569647725 /nfs/dbraw/zinc/64/77/25/569647725.db2.gz CFHGVBHVGGXPHK-UHFFFAOYSA-N 1 0 453.586 5.369 50 0 JKAARO COc1ccc(C(=O)N2C[C@H](C[NH+]3CCC(Cc4ccccc4)CC3)[C@H](c3ccccc3OC)C2)cc1 ZINC000034698521 569647818 /nfs/dbraw/zinc/64/78/18/569647818.db2.gz KEUJFYNLYGCRQY-BHBYDHKZSA-N 1 0 498.667 5.514 50 0 JKAARO COc1ccccc1[C@H]1CN(C(=O)C2CCCC2)C[C@H]1C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000034698548 569647827 /nfs/dbraw/zinc/64/78/27/569647827.db2.gz DYAUMHHBMBQVDP-IAPPQJPRSA-N 1 0 460.662 5.382 50 0 JKAARO Cc1ccccc1[C@@H]1C[N@H+](Cc2ccco2)C[C@@H]1CN(C(=O)c1ccccc1)C1CCCCC1 ZINC000034698868 569647964 /nfs/dbraw/zinc/64/79/64/569647964.db2.gz ADDHYRFDVZGMRR-VAVYLYDRSA-N 1 0 456.630 6.279 50 0 JKAARO Cc1ccccc1[C@H]1C[N@H+](Cc2ccco2)C[C@@H]1CN(C(=O)c1ccc(F)cc1)C1CCCCC1 ZINC000034698827 569648016 /nfs/dbraw/zinc/64/80/16/569648016.db2.gz ZMFQLTWWTZAALK-GIGWZHCTSA-N 1 0 474.620 6.418 50 0 JKAARO Cc1ccccc1[C@@H]1C[N@@H+](Cc2ccc(F)c(F)c2)C[C@@H]1CN(C(=O)c1ccccc1)C(C)C ZINC000034698804 569648030 /nfs/dbraw/zinc/64/80/30/569648030.db2.gz ZILLPNFYGNAFRY-AOYPEHQESA-N 1 0 462.584 6.040 50 0 JKAARO Cc1ccccc1[C@@H]1C[N@H+](Cc2cccn2C)C[C@@H]1CN(C(=O)c1ccc(F)cc1)C1CCCCC1 ZINC000034698836 569648080 /nfs/dbraw/zinc/64/80/80/569648080.db2.gz OCPPNMIEVSNRMK-FYBSXPHGSA-N 1 0 487.663 6.163 50 0 JKAARO CC(C)CN(C[C@@H]1C[N@H+](Cc2ccc(F)cc2)C[C@@H]1c1ccc(F)cc1)C(=O)c1ccccc1 ZINC000034699026 569648153 /nfs/dbraw/zinc/64/81/53/569648153.db2.gz RYFZSHRMILLWDS-LBNVMWSVSA-N 1 0 462.584 5.979 50 0 JKAARO Cc1ccc(C[N@@H+]2C[C@@H](c3ccc(F)cc3)[C@@H](CN(CC(C)C)C(=O)c3ccccc3)C2)s1 ZINC000034699040 569648162 /nfs/dbraw/zinc/64/81/62/569648162.db2.gz OKLDTVOHZCDFAM-SQHAQQRYSA-N 1 0 464.650 6.210 50 0 JKAARO COc1cccc([C@H]2C[N@H+](Cc3cccs3)C[C@@H]2CN(CC(C)C)C(=O)c2ccc(F)cc2)c1 ZINC000034698915 569648277 /nfs/dbraw/zinc/64/82/77/569648277.db2.gz BJRHMOPPKLTLLP-YIXXDRMTSA-N 1 0 480.649 5.910 50 0 JKAARO Cc1cccc(C[N@@H+]2C[C@@H](c3ccc(F)cc3)[C@@H](CN(CC(C)C)C(=O)c3ccccc3)C2)c1 ZINC000034699038 569648297 /nfs/dbraw/zinc/64/82/97/569648297.db2.gz LHPYLIICEOFWJH-PXJZQJOASA-N 1 0 458.621 6.148 50 0 JKAARO Cc1ccc(C[N@@H+]2C[C@@H](c3ccc(F)cc3)[C@@H](CN(CC(C)C)C(=O)c3ccccc3)C2)cc1 ZINC000034699022 569648319 /nfs/dbraw/zinc/64/83/19/569648319.db2.gz AVIARBVOVMFWCM-PXJZQJOASA-N 1 0 458.621 6.148 50 0 JKAARO CC(C)N(C[C@@H]1C[N@H+](Cc2cccs2)C[C@@H]1c1ccc(F)cc1)C(=O)c1ccc(F)cc1 ZINC000034699052 569648358 /nfs/dbraw/zinc/64/83/58/569648358.db2.gz CJAYYLNTBKKYIU-SQJMNOBHSA-N 1 0 454.586 5.793 50 0 JKAARO Cn1cccc1C[N@H+]1C[C@@H](c2ccccc2)[C@@H](CN(C(=O)c2ccccc2)C2CCCCC2)C1 ZINC000034699014 569648363 /nfs/dbraw/zinc/64/83/63/569648363.db2.gz UURHBBYSXCPWNR-UHSQPCAPSA-N 1 0 455.646 5.716 50 0 JKAARO Cc1ccc([C@@H]2C[N@@H+](Cc3ccccc3F)C[C@@H]2CN(Cc2cccnc2)C(=O)C(C)C)cc1 ZINC000034699294 569648391 /nfs/dbraw/zinc/64/83/91/569648391.db2.gz MLZUYSPIWJYFLW-SXOMAYOGSA-N 1 0 459.609 5.430 50 0 JKAARO Cc1ccc(C[N@H+]2C[C@@H](c3ccc(F)cc3)[C@@H](CN(C(=O)c3cccc(F)c3)C3CC3)C2)o1 ZINC000034699182 569648396 /nfs/dbraw/zinc/64/83/96/569648396.db2.gz SMIPPUNZRRSAJX-RLWLMLJZSA-N 1 0 450.529 5.387 50 0 JKAARO Cc1ccc(C[N@@H+]2C[C@@H](CN(C(=O)c3cccc(F)c3)C3CC3)[C@H](c3ccc(F)cc3)C2)o1 ZINC000034699183 569648427 /nfs/dbraw/zinc/64/84/27/569648427.db2.gz SMIPPUNZRRSAJX-LVXARBLLSA-N 1 0 450.529 5.387 50 0 JKAARO COc1cc(C[N@H+]2C[C@@H](c3ccc(C)cc3)[C@@H](CN(C(=O)c3ccccc3)C(C)C)C2)cc(OC)c1 ZINC000034699084 569648497 /nfs/dbraw/zinc/64/84/97/569648497.db2.gz LYESCTJQDROWAM-OFSOJUDTSA-N 1 0 486.656 5.779 50 0 JKAARO CCOC(=O)c1c(NC(=O)[C@@H]([NH2+]CCc2ccc(OC)cc2)c2ccccc2)sc2c1CCCC2 ZINC000034702307 569649159 /nfs/dbraw/zinc/64/91/59/569649159.db2.gz LTDYACUHBRJEEQ-VWLOTQADSA-N 1 0 492.641 5.324 50 0 JKAARO Fc1cccc(CN2CCN(c3nc4cc(Cl)ccc4c4nnc(-c5cccs5)n43)CC2)c1 ZINC000034707890 569650050 /nfs/dbraw/zinc/65/00/50/569650050.db2.gz RIAKXCCDZZLLTC-UHFFFAOYSA-N 1 0 478.984 5.121 50 0 JKAARO C[C@H]1CN(c2nc3cc(Cl)ccc3c3nnc(-c4cccs4)n32)CCN1Cc1ccccc1F ZINC000034707899 569650085 /nfs/dbraw/zinc/65/00/85/569650085.db2.gz MHAYIKSPAWPOMJ-INIZCTEOSA-N 1 0 493.011 5.509 50 0 JKAARO Cc1ccc(F)c(CN2CCN(c3nc4ccccc4c4nnc(-c5ccc(Cl)cc5)n43)CC2)c1 ZINC000034708026 569650298 /nfs/dbraw/zinc/65/02/98/569650298.db2.gz GYVDPZPLKUQBAS-UHFFFAOYSA-N 1 0 486.982 5.368 50 0 JKAARO COc1ccc(CCNC(=O)[C@H]2C[C@H](c3cccc(C)c3)C[N@H+](Cc3cccc(F)c3)C2)cc1 ZINC000034711503 569650717 /nfs/dbraw/zinc/65/07/17/569650717.db2.gz SLUQSLYJFCDIDV-UIOOFZCWSA-N 1 0 460.593 5.107 50 0 JKAARO COc1ccc(CCNC(=O)[C@@H]2C[C@@H](c3cccc(C)c3)C[N@H+](Cc3cccc(F)c3)C2)cc1 ZINC000034711504 569650726 /nfs/dbraw/zinc/65/07/26/569650726.db2.gz SLUQSLYJFCDIDV-CLJLJLNGSA-N 1 0 460.593 5.107 50 0 JKAARO COc1ccc(CCNC(=O)[C@H]2C[C@@H](c3cccc(C)c3)C[N@H+](Cc3ccccc3F)C2)cc1 ZINC000034711426 569650857 /nfs/dbraw/zinc/65/08/57/569650857.db2.gz LCEMTHGHRHBMCJ-FTJBHMTQSA-N 1 0 460.593 5.107 50 0 JKAARO O=C(NCc1cccc(C(F)(F)F)c1)[C@@H]1C[C@@H](c2ccccc2)C[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000034711126 569650863 /nfs/dbraw/zinc/65/08/63/569650863.db2.gz UCHLTSVVRWXOGG-FGZHOGPDSA-N 1 0 488.500 5.906 50 0 JKAARO CCC(=O)N1CCc2cc(-c3ccc(C(=O)NCC[N@H+](Cc4cccs4)[C@@H](C)CC)cc3)ccc21 ZINC000065026897 569651614 /nfs/dbraw/zinc/65/16/14/569651614.db2.gz KTWPAUGOYYMMHZ-NRFANRHFSA-N 1 0 489.685 5.745 50 0 JKAARO Cc1cccc(CNC(=O)[C@H]2C[C@@H](c3ccc(F)cc3)C[N@H+](Cc3ccc(F)cc3F)C2)c1 ZINC000034716763 569651861 /nfs/dbraw/zinc/65/18/61/569651861.db2.gz DOGFDCOVMRUCNZ-PKTZIBPZSA-N 1 0 452.520 5.334 50 0 JKAARO Cc1cc([C@H]2C[C@H](C(=O)NCc3cccc(F)c3)C[N@H+](Cc3ccc(F)cc3)C2)ccc1F ZINC000034716773 569651893 /nfs/dbraw/zinc/65/18/93/569651893.db2.gz DNHKYNWYGXIMTR-GOTSBHOMSA-N 1 0 452.520 5.334 50 0 JKAARO Cc1cc([C@@H]2C[C@@H](C(=O)NCc3cccc(F)c3)C[N@H+](Cc3ccc(F)cc3)C2)ccc1F ZINC000034716774 569651908 /nfs/dbraw/zinc/65/19/08/569651908.db2.gz DNHKYNWYGXIMTR-DHIUTWEWSA-N 1 0 452.520 5.334 50 0 JKAARO Cc1cccc(CNC(=O)[C@@H]2C[C@@H](c3ccc(F)c(C)c3)C[N@H+](Cc3ccccc3Cl)C2)c1 ZINC000034716806 569651915 /nfs/dbraw/zinc/65/19/15/569651915.db2.gz RGVNQYIRXFLSKD-JWQCQUIFSA-N 1 0 465.012 6.018 50 0 JKAARO Cc1ccc(C[N@@H+]2C[C@@H](CN3CCN(c4ccccc4)CC3)[C@H](c3cccc(C(F)(F)F)c3)C2)o1 ZINC000034723415 569652691 /nfs/dbraw/zinc/65/26/91/569652691.db2.gz OQDYENVDNVDKFF-KCWPFWIISA-N 1 0 483.578 5.645 50 0 JKAARO Cc1ccc(C(=O)N2CC[C@@H]3CCCC[C@H]3C2)c(C2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)n1 ZINC000034726126 569652762 /nfs/dbraw/zinc/65/27/62/569652762.db2.gz ULQRWVGYHWJEHD-XCZPVHLTSA-N 1 0 473.705 6.545 50 0 JKAARO Cc1ccc(C(=O)N2CCC[C@H]3CCCC[C@@H]32)c(C2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)n1 ZINC000034726140 569652776 /nfs/dbraw/zinc/65/27/76/569652776.db2.gz ZPEPETZSKKWWOK-UHSQPCAPSA-N 1 0 473.705 6.688 50 0 JKAARO Cc1ccc(C(=O)N2CCC[C@@H]3CCCC[C@@H]32)c(C2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)n1 ZINC000034726142 569652799 /nfs/dbraw/zinc/65/27/99/569652799.db2.gz ZPEPETZSKKWWOK-WNJJXGMVSA-N 1 0 473.705 6.688 50 0 JKAARO COc1ccc(OC)c(C[NH+]2CCC(c3nc(C)ccc3C(=O)NCc3ccc(C)cc3)CC2)c1 ZINC000034726112 569652838 /nfs/dbraw/zinc/65/28/38/569652838.db2.gz FETBYEGQVMOJJJ-UHFFFAOYSA-N 1 0 473.617 5.025 50 0 JKAARO Cc1ccc(Cl)c(O[C@H](CC[NH+]2CCN(c3ccccc3C)CC2)c2ccc(F)cc2)c1 ZINC000034726667 569652930 /nfs/dbraw/zinc/65/29/30/569652930.db2.gz UXBZFYKRPIVFLY-AREMUKBSSA-N 1 0 453.001 6.428 50 0 JKAARO Cc1ccc(F)c(O[C@H](CC[NH+]2CCN(c3ccccc3Cl)CC2)c2ccccc2C)c1 ZINC000034726621 569652932 /nfs/dbraw/zinc/65/29/32/569652932.db2.gz JBUZPIQZJDNYJB-AREMUKBSSA-N 1 0 453.001 6.428 50 0 JKAARO Cc1ccccc1N1CC[NH+](CC[C@H](Oc2ccc(F)cc2Cl)c2ccc(F)cc2)CC1 ZINC000034726657 569652956 /nfs/dbraw/zinc/65/29/56/569652956.db2.gz FWLZRIMDKFWODL-VWLOTQADSA-N 1 0 456.964 6.259 50 0 JKAARO Cc1cc(O[C@@H](CC[NH+]2CCN(c3ccc(F)cc3)CC2)c2cccs2)cc(C(C)C)c1 ZINC000034726907 569653039 /nfs/dbraw/zinc/65/30/39/569653039.db2.gz JNGSMIORYYNSDP-SANMLTNESA-N 1 0 452.639 6.651 50 0 JKAARO COc1ccc(O[C@H](CCN2CC[NH+](Cc3ccccc3)CC2)c2ccccc2Cl)cc1 ZINC000034726969 569653063 /nfs/dbraw/zinc/65/30/63/569653063.db2.gz XEUJUYUJQNNADU-HHHXNRCGSA-N 1 0 451.010 5.677 50 0 JKAARO COc1cccc(C[NH+]2CCC(c3nc(C)ccc3C(=O)N3CCC[C@@H]4CCCC[C@@H]43)CC2)c1 ZINC000034730119 569653300 /nfs/dbraw/zinc/65/33/00/569653300.db2.gz KTWLBULCGYHXRM-HOFKKMOUSA-N 1 0 461.650 5.573 50 0 JKAARO Cc1ccc(C(=O)NCCCc2ccccc2)c(C2CC[NH+](Cc3ccc(Cl)cc3)CC2)n1 ZINC000034730032 569653397 /nfs/dbraw/zinc/65/33/97/569653397.db2.gz FFDZEFKIYFQHHP-UHFFFAOYSA-N 1 0 462.037 5.786 50 0 JKAARO COc1cc(C[N@@H+]2C[C@@H](C(=O)NCCc3ccccc3OC)CC[C@@H]2c2ccccc2)cc(OC)c1 ZINC000034733820 569653514 /nfs/dbraw/zinc/65/35/14/569653514.db2.gz ZGNAHFOZCBSBPQ-LBNVMWSVSA-N 1 0 488.628 5.025 50 0 JKAARO Cc1ccc(-c2ncn(C3CCCCC3)c2-c2ccc(C(=O)NCCC[NH+]3CCCCCC3)o2)cc1 ZINC000065036836 569653677 /nfs/dbraw/zinc/65/36/77/569653677.db2.gz UDBOCIPCAHBYGQ-UHFFFAOYSA-N 1 0 488.676 6.620 50 0 JKAARO O=C(NCCC[NH+]1CCCCC1)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCC2)o1 ZINC000065054973 569653837 /nfs/dbraw/zinc/65/38/37/569653837.db2.gz INDHBXAHNANROH-UHFFFAOYSA-N 1 0 464.585 5.670 50 0 JKAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCC2)o1 ZINC000065054975 569653914 /nfs/dbraw/zinc/65/39/14/569653914.db2.gz JEGGFNRIFSMGEZ-HSZRJFAPSA-N 1 0 492.639 6.449 50 0 JKAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCC2)o1 ZINC000065054983 569653922 /nfs/dbraw/zinc/65/39/22/569653922.db2.gz JPAPTNYTSJTKIS-LJQANCHMSA-N 1 0 464.585 5.669 50 0 JKAARO C[C@@H](CCNC(=O)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCC2)o1)[NH+]1CCCC1 ZINC000065055001 569653926 /nfs/dbraw/zinc/65/39/26/569653926.db2.gz GFFHFKVGVSYWPJ-IBGZPJMESA-N 1 0 464.585 5.669 50 0 JKAARO O=C(NCCC[NH+]1CCCC1)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCCC2)o1 ZINC000065055120 569653993 /nfs/dbraw/zinc/65/39/93/569653993.db2.gz UUPCMVNCMXPAED-UHFFFAOYSA-N 1 0 464.585 5.670 50 0 JKAARO COc1cccc(Oc2ncc(-c3cccc(C(=O)NC4CC[NH+](Cc5ccccc5)CC4)c3)cn2)c1 ZINC000065057967 569654582 /nfs/dbraw/zinc/65/45/82/569654582.db2.gz PMIOIOIJTJPZRP-UHFFFAOYSA-N 1 0 494.595 5.339 50 0 JKAARO COc1ccc([C@@H](CC[NH+]2CCN(c3ccccc3C)CC2)Oc2ccc(C(C)C)cc2)cc1 ZINC000034740043 569655060 /nfs/dbraw/zinc/65/50/60/569655060.db2.gz LXIAKZNJOVYIQA-SSEXGKCCSA-N 1 0 458.646 6.459 50 0 JKAARO CC(C)c1ccc(O[C@H](CC[NH+]2CCN(c3ccc(F)cc3)CC2)c2ccccc2F)cc1 ZINC000034740041 569655114 /nfs/dbraw/zinc/65/51/14/569655114.db2.gz MKBAJXXFPZTWLU-MUUNZHRXSA-N 1 0 450.573 6.421 50 0 JKAARO COc1ccccc1CCNC(=O)[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+](Cc2ccc(F)cc2F)C1 ZINC000034739950 569655139 /nfs/dbraw/zinc/65/51/39/569655139.db2.gz CYWXKWSRZWYYQN-XZOQPEGZSA-N 1 0 482.546 5.077 50 0 JKAARO O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CC[C@@H](c2ccccc2)[N@H+](Cc2cccc(Cl)c2)C1 ZINC000034739904 569655161 /nfs/dbraw/zinc/65/51/61/569655161.db2.gz LGZFMBYPZHOXSF-VWNXMTODSA-N 1 0 462.977 5.338 50 0 JKAARO CC(C)CN(C[C@H]1C[N@H+](Cc2ccccc2C(F)(F)F)C[C@@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000034740477 569655252 /nfs/dbraw/zinc/65/52/52/569655252.db2.gz IRGAHQCHJJNPON-ISKFKSNPSA-N 1 0 478.574 6.201 50 0 JKAARO Cc1cc(O[C@@H](CC[NH+]2CCN(c3ccc(F)cc3)CC2)c2ccc(F)cc2)ccc1C(C)C ZINC000034740120 569655350 /nfs/dbraw/zinc/65/53/50/569655350.db2.gz KAZZWQWMFFYIHQ-LJAQVGFWSA-N 1 0 464.600 6.729 50 0 JKAARO COc1cccc([C@@H]2C[N@H+](Cc3cc(C)ccc3F)C[C@@H]2CN(CC(C)C)C(=O)C(C)C)c1 ZINC000034740298 569655378 /nfs/dbraw/zinc/65/53/78/569655378.db2.gz ICPDNOKXHIAZRS-RSXGOPAZSA-N 1 0 454.630 5.499 50 0 JKAARO Cc1ccc([C@@H]2C[N@@H+](Cc3ccccc3F)C[C@@H]2CN(C(=O)C(C)C)C2CCCCC2)cc1 ZINC000034740757 569655593 /nfs/dbraw/zinc/65/55/93/569655593.db2.gz AVONKSZNEYGOKI-VPUSJEBWSA-N 1 0 450.642 6.167 50 0 JKAARO Cc1ccc(-c2nc(-c3ccc(C(=O)NCC[NH+]4CCC(Cc5ccccc5)CC4)s3)no2)cc1 ZINC000065062969 569656268 /nfs/dbraw/zinc/65/62/68/569656268.db2.gz ADBQFVTUVTUTNC-UHFFFAOYSA-N 1 0 486.641 5.458 50 0 JKAARO CC(C)[NH+]1CCN(C2=Nc3ccccc3Oc3ccc(NC(=O)c4ccccc4F)cc32)CC1 ZINC000034790591 569660125 /nfs/dbraw/zinc/66/01/25/569660125.db2.gz GJVNGDWWYRFHFS-UHFFFAOYSA-N 1 0 458.537 5.288 50 0 JKAARO CCOC(=O)c1c(NC(=O)[C@H]([NH2+]CCc2ccccc2)c2ccccc2)sc2c1CC[C@@H](C)C2 ZINC000034800866 569661253 /nfs/dbraw/zinc/66/12/53/569661253.db2.gz FHJCBZLGQCRZQP-KBMIEXCESA-N 1 0 476.642 5.562 50 0 JKAARO CC[NH+]1CCN(c2c(CN(CC(C)C)C(=O)[C@H]3C[C@H]3c3ccccc3)c(C)nn2-c2ccccc2)CC1 ZINC000034829546 569663103 /nfs/dbraw/zinc/66/31/03/569663103.db2.gz OASQBGSUJISFRX-NSOVKSMOSA-N 1 0 499.703 5.111 50 0 JKAARO C[C@H]1CN(C(=O)CC[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2)CCN1C(=O)CCC1CCCC1 ZINC000034830091 569663586 /nfs/dbraw/zinc/66/35/86/569663586.db2.gz ONCAQLJPQJDOJT-ZTOMLWHTSA-N 1 0 493.717 5.115 50 0 JKAARO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1[C@@H](C)C(=O)N1CCN(C(=O)CCC2CCCC2)CC1 ZINC000034830319 569663797 /nfs/dbraw/zinc/66/37/97/569663797.db2.gz JUAZDCJVQRSAOU-DWACAAAGSA-N 1 0 493.717 5.034 50 0 JKAARO CCCC[C@H](CC)C(=O)N1CCN(C(=O)CC[N@@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CC1 ZINC000034830477 569663812 /nfs/dbraw/zinc/66/38/12/569663812.db2.gz YFBGMVCZRADOID-IDISGSTGSA-N 1 0 499.696 5.112 50 0 JKAARO CCCCCCC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2C)CC1 ZINC000034830358 569663849 /nfs/dbraw/zinc/66/38/49/569663849.db2.gz QKGDKLXZHSQQTI-AMGIVPHBSA-N 1 0 481.706 5.034 50 0 JKAARO CCCCCCC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2C)CC1 ZINC000034830359 569663953 /nfs/dbraw/zinc/66/39/53/569663953.db2.gz QKGDKLXZHSQQTI-CUNXSJBXSA-N 1 0 481.706 5.034 50 0 JKAARO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cc(-c2ccccc2F)nc2cc(C(C)(C)C)nn21 ZINC000034833429 569664546 /nfs/dbraw/zinc/66/45/46/569664546.db2.gz VZXJEJIYJDGLMR-SFHVURJKSA-N 1 0 453.606 5.073 50 0 JKAARO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cc(-c2ccccc2Cl)nc2cc(C(C)(C)C)nn21 ZINC000034833202 569664585 /nfs/dbraw/zinc/66/45/85/569664585.db2.gz RJNWWWIMINXQGE-SFHVURJKSA-N 1 0 470.061 5.588 50 0 JKAARO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cc(-c2ccccc2F)n2nc(-c3ccccc3)cc2n1 ZINC000034832786 569664600 /nfs/dbraw/zinc/66/46/00/569664600.db2.gz PCNGVCQFEJVCPS-FQEVSTJZSA-N 1 0 473.596 5.443 50 0 JKAARO COc1cccc(-c2cc(C(=O)NCCC[N@@H+]3CCCC[C@@H]3C)n3nc(-c4ccccc4)cc3n2)c1 ZINC000034834058 569664681 /nfs/dbraw/zinc/66/46/81/569664681.db2.gz VJZDIJWBKAWSBK-NRFANRHFSA-N 1 0 483.616 5.066 50 0 JKAARO COc1ccccc1-c1cc(C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)n2nc(-c3ccccc3)cc2n1 ZINC000034834112 569664694 /nfs/dbraw/zinc/66/46/94/569664694.db2.gz MBNMFDJEOJBCBW-NRFANRHFSA-N 1 0 483.616 5.066 50 0 JKAARO CCCCCCC(=O)N(CCC(C)C)Cc1c(C)nn(-c2ccccc2)c1N1CC[NH+](C)CC1 ZINC000034834676 569664771 /nfs/dbraw/zinc/66/47/71/569664771.db2.gz OLMKZYFXYBHQMM-UHFFFAOYSA-N 1 0 467.702 5.278 50 0 JKAARO CCCN(Cc1c(CC)nn(-c2ccc(F)cc2)c1N1CC[NH+](C(C)C)CC1)C(=O)CC(C)(C)C ZINC000034835415 569664903 /nfs/dbraw/zinc/66/49/03/569664903.db2.gz NMNUEHWOTTYDTJ-UHFFFAOYSA-N 1 0 485.692 5.279 50 0 JKAARO CCCN(Cc1c(CC)nn(-c2ccc(F)cc2)c1N1CC[NH+](C(C)C)CC1)C(=O)c1cccs1 ZINC000034835412 569664914 /nfs/dbraw/zinc/66/49/14/569664914.db2.gz YACKSGBBBBKPDL-UHFFFAOYSA-N 1 0 497.684 5.218 50 0 JKAARO CCc1nn(-c2ccc(F)cc2)c(N2CC[NH+](C(C)C)CC2)c1CN(CC(C)C)C(=O)CC(C)C ZINC000034835363 569664924 /nfs/dbraw/zinc/66/49/24/569664924.db2.gz LBZWAJKBNYQARH-UHFFFAOYSA-N 1 0 485.692 5.135 50 0 JKAARO CC[C@H](C)N(Cc1c(C)nn(-c2ccccc2)c1N1CC[NH+](CC)CC1)C(=O)c1cccc(Cl)c1 ZINC000034835101 569664944 /nfs/dbraw/zinc/66/49/44/569664944.db2.gz LTVSSFMRSMEUSH-NRFANRHFSA-N 1 0 494.083 5.417 50 0 JKAARO CCCC[C@@H](CC)C(=O)N(Cc1c(C)nn(-c2ccccc2)c1N1CC[NH+](CC)CC1)[C@H](C)CC ZINC000034834983 569664951 /nfs/dbraw/zinc/66/49/51/569664951.db2.gz VAWFEDZYVYCKOB-ILBGXUMGSA-N 1 0 481.729 5.666 50 0 JKAARO CC[NH+]1CCN(c2c(CN(Cc3ccccc3Cl)CC(C)C)c(C)nn2-c2cccc(F)c2)CC1 ZINC000034835953 569665120 /nfs/dbraw/zinc/66/51/20/569665120.db2.gz QTTPFUDDBQDWTI-UHFFFAOYSA-N 1 0 498.090 5.773 50 0 JKAARO CCc1nn(-c2cccc(C)c2)c(N2CCN(C)CC2)c1C[N@H+](C[C@H](C)c1ccccc1)C1CC1 ZINC000034836682 569665954 /nfs/dbraw/zinc/66/59/54/569665954.db2.gz CUCBDWNYHIYURQ-DEOSSOPVSA-N 1 0 471.693 5.263 50 0 JKAARO O=C(N[C@H]1CCCc2ccccc21)C1CC[NH+](C2CCN(C(=O)c3ccc4ccccc4c3)CC2)CC1 ZINC000034912333 569671591 /nfs/dbraw/zinc/67/15/91/569671591.db2.gz HPCXXHBRVOEEJL-PMERELPUSA-N 1 0 495.667 5.350 50 0 JKAARO CCCCCc1ccc(C(=O)N2CCC([NH+]3CCC(C(=O)NC4CCCCC4)CC3)CC2)cc1 ZINC000034912014 569671611 /nfs/dbraw/zinc/67/16/11/569671611.db2.gz UIPPAYBKPAYHCZ-UHFFFAOYSA-N 1 0 467.698 5.185 50 0 JKAARO O=C(N[C@@H]1CCCc2ccccc21)C1CC[NH+](C2CCN(C(=O)c3ccc4ccccc4c3)CC2)CC1 ZINC000034912332 569671638 /nfs/dbraw/zinc/67/16/38/569671638.db2.gz HPCXXHBRVOEEJL-SSEXGKCCSA-N 1 0 495.667 5.350 50 0 JKAARO O=C(NCc1cccnc1)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccccc2Cl)CC1 ZINC000065314980 569672638 /nfs/dbraw/zinc/67/26/38/569672638.db2.gz QWBSKMLXZDOPIP-UHFFFAOYSA-N 1 0 473.020 5.266 50 0 JKAARO Cc1cccc([C@@H]2[C@H](C(=O)NC3CC[NH+](Cc4ccccc4)CC3)c3ccccc3C(=O)N2C2CC2)c1 ZINC000034924127 569673061 /nfs/dbraw/zinc/67/30/61/569673061.db2.gz MJCZFTKZTZYVPZ-LOYHVIPDSA-N 1 0 493.651 5.219 50 0 JKAARO CCCCN1C(=O)c2ccccc2[C@H](C(=O)NCC[C@@H]2CCC[N@@H+]2C)[C@@H]1c1cccc(Cl)c1 ZINC000034927687 569673156 /nfs/dbraw/zinc/67/31/56/569673156.db2.gz OIQJEPXUSCFJHB-TUSQITKMSA-N 1 0 468.041 5.021 50 0 JKAARO CC[NH+]1CCN(Cc2ccc(NC(=O)c3cc4cc5ccc(OC)c(Cl)c5nc4s3)cc2)CC1 ZINC000065321308 569674632 /nfs/dbraw/zinc/67/46/32/569674632.db2.gz CEPKZMHRGPNMMJ-UHFFFAOYSA-N 1 0 495.048 5.501 50 0 JKAARO O=C([O-])c1c(C[NH2+]CCC[NH+]2CCC(Cc3ccccc3)CC2)c2ccccc2n1Cc1ccccc1 ZINC000065321707 569674682 /nfs/dbraw/zinc/67/46/82/569674682.db2.gz LJBQTLVWIVJPFT-UHFFFAOYSA-N 1 0 495.667 5.822 50 0 JKAARO C[N@H+](CCC[NH2+]Cc1c2ccccc2n(Cc2ccc(F)cc2Cl)c1C(=O)[O-])Cc1ccccc1 ZINC000065321900 569674809 /nfs/dbraw/zinc/67/48/09/569674809.db2.gz UHYUJMKIMYZEJI-UHFFFAOYSA-N 1 0 494.010 5.792 50 0 JKAARO COc1ccc(-c2csc3ncnc(N4CCC[C@@H](C[N@H+](C)Cc5cccnc5)C4)c23)cc1 ZINC000065567861 569676165 /nfs/dbraw/zinc/67/61/65/569676165.db2.gz WBLVXHHMEMQCMI-FQEVSTJZSA-N 1 0 459.619 5.110 50 0 JKAARO COc1ccc(-c2csc3ncnc(N4CCC[C@H](C[N@H+](C)Cc5cccnc5)C4)c23)cc1 ZINC000065567864 569676189 /nfs/dbraw/zinc/67/61/89/569676189.db2.gz WBLVXHHMEMQCMI-HXUWFJFHSA-N 1 0 459.619 5.110 50 0 JKAARO Cn1cc([C@@H](CC(=O)NCC[NH+]2CCCC2)c2cccc(Oc3ccccc3)c2)c2ccccc21 ZINC000035372074 569682971 /nfs/dbraw/zinc/68/29/71/569682971.db2.gz NRQDRQXFSZQFKE-MHZLTWQESA-N 1 0 467.613 5.705 50 0 JKAARO CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1cc(Cl)ccc1C)C(c1ccccc1)=N2 ZINC000035372867 569683203 /nfs/dbraw/zinc/68/32/03/569683203.db2.gz VLFVOAZSPOOTAS-UHFFFAOYSA-N 1 0 455.027 5.034 50 0 JKAARO CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccc(F)c(F)c1)C(c1ccc(Cl)cc1)=N2 ZINC000035372736 569683261 /nfs/dbraw/zinc/68/32/61/569683261.db2.gz HDRITOXRSPZYGK-UHFFFAOYSA-N 1 0 476.980 5.003 50 0 JKAARO CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1cc(F)ccc1F)C(c1ccc(Cl)cc1)=N2 ZINC000035372795 569683326 /nfs/dbraw/zinc/68/33/26/569683326.db2.gz AWBZYWPFHATAGO-UHFFFAOYSA-N 1 0 476.980 5.003 50 0 JKAARO CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1cccc(Cl)c1C)C(c1ccc(C)cc1)=N2 ZINC000035372836 569683354 /nfs/dbraw/zinc/68/33/54/569683354.db2.gz ULOIMCBMJUORIR-UHFFFAOYSA-N 1 0 469.054 5.342 50 0 JKAARO c1csc(-c2cc3c(N4CC[NH+](C(c5ccccc5)c5ccccc5)CC4)nccn3n2)c1 ZINC000067285224 569683375 /nfs/dbraw/zinc/68/33/75/569683375.db2.gz OHVNZUMBDJITRB-UHFFFAOYSA-N 1 0 451.599 5.369 50 0 JKAARO COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@H](Cc2ccccc2)[NH2+][C@]12C(=O)Nc1c2cccc1Cl ZINC000035375726 569684519 /nfs/dbraw/zinc/68/45/19/569684519.db2.gz VTSREMREDFPZCQ-RYGBOPQRSA-N 1 0 496.394 5.009 50 0 JKAARO CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccc(F)cc1)C(c1ccc(C(C)(C)C)cc1)=N2 ZINC000035397168 569687676 /nfs/dbraw/zinc/68/76/76/569687676.db2.gz MDZZQFHZJUXJQL-UHFFFAOYSA-N 1 0 480.653 5.508 50 0 JKAARO CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccc(F)cc1F)C(c1ccc(C(C)(C)C)cc1)=N2 ZINC000035397171 569687680 /nfs/dbraw/zinc/68/76/80/569687680.db2.gz IVXOFZMGKYWNRR-UHFFFAOYSA-N 1 0 498.643 5.647 50 0 JKAARO Cc1cc(C)cc(NC(=O)CSC2=NC3(CC[NH+](C)CC3)N=C2c2ccc(C(C)(C)C)cc2)c1 ZINC000035397144 569687764 /nfs/dbraw/zinc/68/77/64/569687764.db2.gz QGZMAYQCHIAMJE-UHFFFAOYSA-N 1 0 476.690 5.596 50 0 JKAARO C[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1cc(F)ccc1F)C(c1ccc(C(C)(C)C)cc1)=N2 ZINC000035397153 569687776 /nfs/dbraw/zinc/68/77/76/569687776.db2.gz AHLRQFJRUKNSEY-UHFFFAOYSA-N 1 0 484.616 5.257 50 0 JKAARO CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccc(OC)cc1)C(c1ccc(C(C)(C)C)cc1)=N2 ZINC000035397177 569687805 /nfs/dbraw/zinc/68/78/05/569687805.db2.gz RFYUAMPUARGCLL-UHFFFAOYSA-N 1 0 492.689 5.378 50 0 JKAARO C[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccc(F)c(F)c1)C(c1ccc(C(C)(C)C)cc1)=N2 ZINC000035397149 569687813 /nfs/dbraw/zinc/68/78/13/569687813.db2.gz IQAVFZPEXAERGQ-UHFFFAOYSA-N 1 0 484.616 5.257 50 0 JKAARO CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccc(C)cc1)C(c1ccc(Br)cc1)=N2 ZINC000035397203 569687887 /nfs/dbraw/zinc/68/78/87/569687887.db2.gz KSFAODNVCPLTLZ-UHFFFAOYSA-N 1 0 499.478 5.143 50 0 JKAARO CC[N@@H+]1CCc2c(sc3c2CN(C(=O)Nc2cccc(C)c2C)[C@H](c2ccccc2)c2cccn2-3)C1 ZINC000035427423 569694164 /nfs/dbraw/zinc/69/41/64/569694164.db2.gz HAMQDEZHBQLNCJ-MUUNZHRXSA-N 1 0 496.680 6.671 50 0 JKAARO CC[N@@H+]1CCc2c(sc3c2CN(C(=O)Nc2ccc(C)cc2C)[C@H](c2ccccc2)c2cccn2-3)C1 ZINC000035427439 569694413 /nfs/dbraw/zinc/69/44/13/569694413.db2.gz PEZALIPXSBUGQO-MUUNZHRXSA-N 1 0 496.680 6.671 50 0 JKAARO CC[N@@H+]1CCc2c(sc3c2CN(C(=O)Nc2ccc(C)cc2C)[C@@H](c2ccccc2)c2cccn2-3)C1 ZINC000035427437 569694475 /nfs/dbraw/zinc/69/44/75/569694475.db2.gz PEZALIPXSBUGQO-NDEPHWFRSA-N 1 0 496.680 6.671 50 0 JKAARO O=C(C1CC[NH+](Cc2cc3ccccc3n2Cc2cccc(Cl)c2)CC1)N1CCCCC1 ZINC000035451437 569696838 /nfs/dbraw/zinc/69/68/38/569696838.db2.gz MXTPHAGBHHQUMV-UHFFFAOYSA-N 1 0 450.026 5.568 50 0 JKAARO Cc1noc(C)c1CCNC(=O)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000035451507 569696874 /nfs/dbraw/zinc/69/68/74/569696874.db2.gz DWEUXACGRLCHCX-UHFFFAOYSA-N 1 0 488.607 5.004 50 0 JKAARO CC[NH+](CC)CC[C@@]1(c2ccccc2)c2ccccc2N(N(C)Cc2ccccc2Cl)C1=O ZINC000071767320 569697316 /nfs/dbraw/zinc/69/73/16/569697316.db2.gz QXTFHLVMILNEKY-MUUNZHRXSA-N 1 0 462.037 5.752 50 0 JKAARO c1ccc(CC2([PH+](C3CCCCC3)C3CCCCC3)c3ccccc3-c3ccccc32)cc1 ZINC000071769600 569697790 /nfs/dbraw/zinc/69/77/90/569697790.db2.gz RJNKJOHSGMPLDI-UHFFFAOYSA-N 1 0 452.622 9.301 50 0 JKAARO Cc1ccc(C[NH+]2CCC(CNC(=O)c3nn(C)c4c3CSc3ccc(Cl)cc3-4)CC2)cc1 ZINC000035534876 569701550 /nfs/dbraw/zinc/70/15/50/569701550.db2.gz QBLLSYWEOBVXTD-UHFFFAOYSA-N 1 0 481.065 5.297 50 0 JKAARO CC[NH+](CC)CCC[C@H](C)NC(=O)C[C@@H](c1cn(C)c2ccccc12)c1cccc(C(F)(F)F)c1 ZINC000035579593 569704904 /nfs/dbraw/zinc/70/49/04/569704904.db2.gz JAVLINVUXOLEED-GBXCKJPGSA-N 1 0 487.610 6.346 50 0 JKAARO O=C(c1ccc(COc2ccc(Br)cc2)o1)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000035657279 569705978 /nfs/dbraw/zinc/70/59/78/569705978.db2.gz XQFZUQLUENIKJF-UHFFFAOYSA-N 1 0 499.449 5.348 50 0 JKAARO CC[NH+](CC)CCC[C@H](C)NC(=O)CCCSc1nc2ccccc2c(=O)n1-c1ccccc1F ZINC000035700379 569707100 /nfs/dbraw/zinc/70/71/00/569707100.db2.gz MBFHEZSVFQBVHC-FQEVSTJZSA-N 1 0 498.668 5.024 50 0 JKAARO CC(C)c1ccccc1OCc1nc(CN(CC[NH+]2CCCCC2)C(=O)c2ccccc2F)cs1 ZINC000035742042 569709424 /nfs/dbraw/zinc/70/94/24/569709424.db2.gz SPUBAGNLHMBEHZ-UHFFFAOYSA-N 1 0 495.664 6.113 50 0 JKAARO CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3ccc(COc4ccc(Br)cc4)o3)C2)CC1 ZINC000084699921 569709593 /nfs/dbraw/zinc/70/95/93/569709593.db2.gz PJJSJEKSRBXTPL-IBGZPJMESA-N 1 0 475.427 5.205 50 0 JKAARO Fc1ccc(N2CC[C@@H](C[NH+]3CCC(c4c[nH]c5ccccc54)(c4c[nH]c5ccccc54)CC3)C2)cc1 ZINC000085392835 569709930 /nfs/dbraw/zinc/70/99/30/569709930.db2.gz FNQUIHPQECHJGK-QHCPKHFHSA-N 1 0 492.642 6.697 50 0 JKAARO Fc1ccc(N2CC[C@H](C[NH+]3CCC(c4c[nH]c5ccccc54)(c4c[nH]c5ccccc54)CC3)C2)cc1 ZINC000085392841 569709937 /nfs/dbraw/zinc/70/99/37/569709937.db2.gz FNQUIHPQECHJGK-HSZRJFAPSA-N 1 0 492.642 6.697 50 0 JKAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(Nc2ccnc(-c3ccc(F)cc3)n2)cc1 ZINC000085649471 569712335 /nfs/dbraw/zinc/71/23/35/569712335.db2.gz XGHYCZPEEGXEHF-UHFFFAOYSA-N 1 0 481.575 5.421 50 0 JKAARO Cc1cc(Nc2nc(C(=O)NCCC[N@H+]3CCCC[C@@H]3C)cc3occc32)ccc1Br ZINC000085651279 569713104 /nfs/dbraw/zinc/71/31/04/569713104.db2.gz ISGVABAJFFNASI-KRWDZBQOSA-N 1 0 485.426 5.637 50 0 JKAARO CC[NH+](CC)CCCNC(=O)c1cc2occc2c(Nc2ccc(Br)c(C)c2)n1 ZINC000085651214 569713127 /nfs/dbraw/zinc/71/31/27/569713127.db2.gz ZZVSOXSSPITRJE-UHFFFAOYSA-N 1 0 459.388 5.104 50 0 JKAARO CN(C)c1ccc(C2=[NH+]O[C@H](CN(Cc3ccc(C(F)(F)F)cc3)C(=O)C3CCCC3)C2)cc1 ZINC000035835128 569713364 /nfs/dbraw/zinc/71/33/64/569713364.db2.gz GTXUTQKWEAJXEE-QHCPKHFHSA-N 1 0 473.539 5.483 50 0 JKAARO CN(C)c1ccc(C2=[NH+]O[C@H](CN(Cc3ccc(C(F)(F)F)cc3)C(=O)c3cccs3)C2)cc1 ZINC000035835122 569713380 /nfs/dbraw/zinc/71/33/80/569713380.db2.gz KRNLIRAPRPIFPC-NRFANRHFSA-N 1 0 487.547 5.669 50 0 JKAARO CC(C)CC[N@@H+](Cc1cccn1Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)COCc1ccco1 ZINC000035840691 569713764 /nfs/dbraw/zinc/71/37/64/569713764.db2.gz WMIJHQVOYGEUIE-HHHXNRCGSA-N 1 0 466.666 5.853 50 0 JKAARO Cc1ccccc1OC[C@H](O)C[N@H+](Cc1cccn1Cc1ccc(C(C)(C)C)cc1)Cc1ccccc1 ZINC000035840650 569713778 /nfs/dbraw/zinc/71/37/78/569713778.db2.gz MJNOAHBRHQYCIT-WJOKGBTCSA-N 1 0 496.695 6.584 50 0 JKAARO O[C@@H](COCc1ccco1)C[N@@H+](Cc1cccn1Cc1ccc(F)cc1)CC1CCCCC1 ZINC000035840580 569713829 /nfs/dbraw/zinc/71/38/29/569713829.db2.gz HHWMKTBUYBHDNS-AREMUKBSSA-N 1 0 454.586 5.229 50 0 JKAARO Fc1ccccc1C[N@@H+](Cc1cccn1Cc1ccc(C(F)(F)F)cc1)CC1CCCCC1 ZINC000035841252 569713930 /nfs/dbraw/zinc/71/39/30/569713930.db2.gz SLHIRWGBPPAGIT-UHFFFAOYSA-N 1 0 458.543 7.277 50 0 JKAARO COc1ccc(OC[C@H](O)C[N@H+](Cc2cccn2Cc2cccc(F)c2)C2CCCCC2)cc1 ZINC000035840802 569713957 /nfs/dbraw/zinc/71/39/57/569713957.db2.gz HNUYMRTULHBEBQ-AREMUKBSSA-N 1 0 466.597 5.259 50 0 JKAARO CCC[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C(C)(C)CO ZINC000035842654 569714113 /nfs/dbraw/zinc/71/41/13/569714113.db2.gz LJIVEXPGAPZPEZ-UHFFFAOYSA-N 1 0 477.693 5.520 50 0 JKAARO COCCC[N@H+](Cc1cccn1Cc1ccc(C(F)(F)F)cc1)Cc1ccc(F)c(F)c1 ZINC000035844666 569715157 /nfs/dbraw/zinc/71/51/57/569715157.db2.gz ZRBIETAJJKBBDD-UHFFFAOYSA-N 1 0 452.467 5.872 50 0 JKAARO Cc1ccc(C)c(C[N@H+](CCN2CCOCC2)Cc2cccn2Cc2ccc(C(F)(F)F)cc2)c1 ZINC000035844726 569715274 /nfs/dbraw/zinc/71/52/74/569715274.db2.gz VBLBYBSMMQGJCV-UHFFFAOYSA-N 1 0 485.594 5.506 50 0 JKAARO CC[C@@H](C)[N@H+](CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1cccc(C(=O)OC)c1 ZINC000035844805 569715438 /nfs/dbraw/zinc/71/54/38/569715438.db2.gz KYDRCYGOWQBAKT-JOCHJYFZSA-N 1 0 476.617 5.247 50 0 JKAARO COC(=O)c1cccc(C[N@H+](CCC(C)C)CC(=O)N(CCc2ccccc2)Cc2ccc(C)o2)c1 ZINC000035844988 569715759 /nfs/dbraw/zinc/71/57/59/569715759.db2.gz ZRLLUPVQXGFPQL-UHFFFAOYSA-N 1 0 490.644 5.494 50 0 JKAARO CCCCC[N@H+](CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1cccc(C(=O)OC)c1 ZINC000035845004 569715767 /nfs/dbraw/zinc/71/57/67/569715767.db2.gz KIGJDZNUBIUDHB-UHFFFAOYSA-N 1 0 490.644 5.638 50 0 JKAARO c1ccc([PH+](C23CC4CC(CC(C4)C2)C3)C23CC4CC(CC(C4)C2)C3)c(N2CCCCC2)c1 ZINC000086012764 569716844 /nfs/dbraw/zinc/71/68/44/569716844.db2.gz FPQYIRBFZLNVLL-UHFFFAOYSA-N 1 0 461.674 7.722 50 0 JKAARO C[C@H](NC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](C3CCCC3)C[C@H]12)c1ccccc1 ZINC000035871496 569718695 /nfs/dbraw/zinc/71/86/95/569718695.db2.gz USZLTFXXAPXIGE-XYURVEJXSA-N 1 0 471.567 5.188 50 0 JKAARO COc1ccc(NC(=O)[C@H]2Cc3cc(C(F)(F)F)ccc3N3CC[N@@H+](C4CCCCC4)C[C@H]23)cc1 ZINC000035871551 569718745 /nfs/dbraw/zinc/71/87/45/569718745.db2.gz ZBSIKRFCXQUJCR-UKILVPOCSA-N 1 0 487.566 5.348 50 0 JKAARO CCn1cc([C@@H](CC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c2ccc(C)cc2)c2ccccc21 ZINC000035872115 569719242 /nfs/dbraw/zinc/71/92/42/569719242.db2.gz YNFSTDQQYNUADH-LJAQVGFWSA-N 1 0 479.668 6.272 50 0 JKAARO CC[C@H](C)c1ccc([C@@H]([NH2+]CC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)C(C)C)cc1 ZINC000089942361 569720558 /nfs/dbraw/zinc/72/05/58/569720558.db2.gz FDNDXCBTGPAKGY-HJPURHCSSA-N 1 0 451.032 5.182 50 0 JKAARO CC[C@@H](C)c1ccc([C@H]([NH2+]CC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)C(C)C)cc1 ZINC000089942358 569720616 /nfs/dbraw/zinc/72/06/16/569720616.db2.gz FDNDXCBTGPAKGY-WAIKUNEKSA-N 1 0 451.032 5.182 50 0 JKAARO CCc1cccc2c([C@H](CC(=O)N[C@@H](C)CCC[NH+](CC)CC)c3ccc(Cl)cc3)c[nH]c21 ZINC000035888712 569721313 /nfs/dbraw/zinc/72/13/13/569721313.db2.gz PQWSANHAXWLOAR-NBGIEHNGSA-N 1 0 468.085 6.532 50 0 JKAARO CC[C@@H](C)c1nc2sc3c(c2c(N2CC[NH+](CCOc4ccccc4)CC2)n1)CCCCC3 ZINC000035892985 569722691 /nfs/dbraw/zinc/72/26/91/569722691.db2.gz JYYPXLRECUYOED-HXUWFJFHSA-N 1 0 464.679 5.675 50 0 JKAARO O=C(Nc1ccc(F)cc1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](CCc3ccccc3)C[C@@H]12 ZINC000035908054 569723675 /nfs/dbraw/zinc/72/36/75/569723675.db2.gz DPFNBUONIKTKMH-AHWVRZQESA-N 1 0 497.536 5.389 50 0 JKAARO CCc1cccc2c([C@H](CC(=O)N(CC[NH+](C)C)Cc3ccccc3)c3ccccc3Cl)c[nH]c21 ZINC000035908334 569724021 /nfs/dbraw/zinc/72/40/21/569724021.db2.gz UUFNGXUYGPXMCM-AREMUKBSSA-N 1 0 488.075 6.496 50 0 JKAARO Cc1ccc2nc(-c3ccc(N4C(=O)C[C@@H]([NH2+]Cc5ccc(Cl)cc5)C4=O)cc3)sc2c1 ZINC000095483051 569724979 /nfs/dbraw/zinc/72/49/79/569724979.db2.gz ZYAVOWVYRADWDJ-OAQYLSRUSA-N 1 0 461.974 5.347 50 0 JKAARO Cc1nn(-c2ccccc2)c2nc(CC(C)C)nc(N3CCC[N@H+](Cc4ccccc4Cl)CC3)c12 ZINC000035924669 569728132 /nfs/dbraw/zinc/72/81/32/569728132.db2.gz LALNLZXDBUDVJB-UHFFFAOYSA-N 1 0 489.067 5.688 50 0 JKAARO Cc1nn(-c2ccccc2)c2nc(CC(C)C)nc(N3CCC[N@H+](Cc4ccc(C(C)C)cc4)CC3)c12 ZINC000035924676 569728159 /nfs/dbraw/zinc/72/81/59/569728159.db2.gz MTDUETFIRRYIFD-UHFFFAOYSA-N 1 0 496.703 6.158 50 0 JKAARO Clc1ccc(-c2nc(CN3CC[NH+](C4c5ccccc5-c5ccccc54)CC3)cs2)cc1 ZINC000095725780 569728728 /nfs/dbraw/zinc/72/87/28/569728728.db2.gz GOJMYZNZVXCWPL-UHFFFAOYSA-N 1 0 458.030 6.351 50 0 JKAARO CCCc1nc2c(cnn2-c2ccccc2)c(N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)n1 ZINC000035925684 569729002 /nfs/dbraw/zinc/72/90/02/569729002.db2.gz ZZYPPJSXTKQVHX-UHFFFAOYSA-N 1 0 494.565 5.499 50 0 JKAARO CCc1ccc([C@H](Cc2ccc(OCC[NH+]3CCCC3)cc2)C(=O)c2ccccc2Cl)nc1 ZINC000095918071 569729377 /nfs/dbraw/zinc/72/93/77/569729377.db2.gz HUHZTNVGOBGPNU-VWLOTQADSA-N 1 0 463.021 5.981 50 0 JKAARO O=[S@@](c1ccc(F)cc1)C1=CC[N@H+](CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000095918153 569729567 /nfs/dbraw/zinc/72/95/67/569729567.db2.gz KAVCHEAVDZHBBJ-MGBGTMOVSA-N 1 0 469.572 6.413 50 0 JKAARO CC[NH+](CC)CCSc1ccc(/C(=C(\c2ccccc2)[N+](=O)[O-])c2ccc(OC)cc2)cc1 ZINC000095918091 569729676 /nfs/dbraw/zinc/72/96/76/569729676.db2.gz XMSCGXJIAZFZQA-CYYJNZCTSA-N 1 0 462.615 6.322 50 0 JKAARO C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000095949701 569731319 /nfs/dbraw/zinc/73/13/19/569731319.db2.gz BSWMLCQZWDFKSJ-LJQANCHMSA-N 1 0 468.428 5.728 50 0 JKAARO CC(C)c1ccc(-n2nc3nc(NCC[NH+]4CCCCC4)nc(-c4ccccc4)c3c2N)cc1 ZINC000035929625 569731443 /nfs/dbraw/zinc/73/14/43/569731443.db2.gz ZLGXZCTWBYAALO-UHFFFAOYSA-N 1 0 455.610 5.086 50 0 JKAARO COc1ccc(C[NH2+]Cc2cnc(C)c3oc(-c4cc(=O)oc5c(C)c(C)ccc45)cc32)cc1OC ZINC000096113726 569732856 /nfs/dbraw/zinc/73/28/56/569732856.db2.gz JHAOYRMGRHSGRL-UHFFFAOYSA-N 1 0 484.552 5.833 50 0 biogenic JKAARO Cc1ncc(C[N@H+](C)Cc2ccccc2)c2cc(-c3cc(=O)oc4cc5c(cc43)CCC5)oc21 ZINC000096116447 569735326 /nfs/dbraw/zinc/73/53/26/569735326.db2.gz WTFAQJKXYOCEIF-UHFFFAOYSA-N 1 0 450.538 6.030 50 0 biogenic JKAARO CCn1c(CN2CC[NH+](Cc3ccccc3)CC2)nc2cc(NC(=O)c3ccccc3Cl)ccc21 ZINC000096523422 569740783 /nfs/dbraw/zinc/74/07/83/569740783.db2.gz SHCGIUHJAIDNJN-UHFFFAOYSA-N 1 0 488.035 5.280 50 0 JKAARO Fc1ccc(C(CCC[N@@H+]2CCn3c(CN4CCOCC4)ccc3C2)c2ccc(F)cc2)cc1 ZINC000096579709 569741610 /nfs/dbraw/zinc/74/16/10/569741610.db2.gz OCWPWZFPSARXMR-UHFFFAOYSA-N 1 0 465.588 5.026 50 0 JKAARO c1ccc(C[N@@H+]2[C@@H](c3ccccc3)SC(c3ccccc3)(c3ccccc3)[C@@H]2c2ccccc2)cc1 ZINC000096594051 569742228 /nfs/dbraw/zinc/74/22/28/569742228.db2.gz LZBMMFQTIDLMFA-JHOUSYSJSA-N 1 0 483.680 8.619 50 0 JKAARO CCOC(=O)C1=C(C[N@H+](C)C2CCCCC2)N(CC)C(=O)N[C@@H]1c1cccc(Cl)c1Cl ZINC000035991387 569744520 /nfs/dbraw/zinc/74/45/20/569744520.db2.gz KOKKJIZHJFAVCD-OAQYLSRUSA-N 1 0 468.425 5.161 50 0 JKAARO Clc1ccccc1-n1cc(-c2ccccc2)c2c1ncnc2N1CC[NH+](Cc2ccccc2)CC1 ZINC000097730305 569745888 /nfs/dbraw/zinc/74/58/88/569745888.db2.gz AZQWPBWZVAVMCS-UHFFFAOYSA-N 1 0 480.015 6.063 50 0 JKAARO Cc1ccc(C)c(C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@H](O)COc2ccc(Cl)cc2)c1 ZINC000036031494 569751968 /nfs/dbraw/zinc/75/19/68/569751968.db2.gz AOILCUQZOFFTFQ-QHCPKHFHSA-N 1 0 453.966 5.128 50 0 JKAARO COc1ccc(C(O)(c2ccc(C[N@H+](Cc3sccc3C)C3CC3)o2)c2ccc(OC)cc2)cc1 ZINC000036202281 569756924 /nfs/dbraw/zinc/75/69/24/569756924.db2.gz YFKWYBKDSAHAFR-UHFFFAOYSA-N 1 0 489.637 6.116 50 0 JKAARO CCN(CC)c1onc(-c2ccc(F)cc2)c1C[N@H+](CCC(C)C)C[C@@H](O)COCc1ccco1 ZINC000036249755 569758142 /nfs/dbraw/zinc/75/81/42/569758142.db2.gz JHOUBHRGOFTJIF-HSZRJFAPSA-N 1 0 487.616 5.346 50 0 JKAARO CC(C)[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@H](O)Cc1ccccc1 ZINC000036301558 569759060 /nfs/dbraw/zinc/75/90/60/569759060.db2.gz TTYOCZYJYYGHTC-RUZDIDTESA-N 1 0 455.602 5.693 50 0 JKAARO COc1ccc(Oc2c(C[N@H+](C[C@@H](C)O)CC3CC3)c(C)nn2-c2cccc(Cl)c2)cc1 ZINC000036301707 569759156 /nfs/dbraw/zinc/75/91/56/569759156.db2.gz YQOMAKRCKJNGEX-QGZVFWFLSA-N 1 0 455.986 5.228 50 0 JKAARO Cc1nn(-c2cccc(Cl)c2)c(Oc2ccccc2)c1C[N@H+](C[C@@H](O)Cc1ccccc1)C1CC1 ZINC000036301785 569759177 /nfs/dbraw/zinc/75/91/77/569759177.db2.gz KQSRWVAGMKQZGZ-SANMLTNESA-N 1 0 488.031 6.194 50 0 JKAARO C[C@H]1CCCCN1c1onc(-c2ccccc2)c1CN(CC[NH+](C)C)C(=S)Nc1ccc(F)cc1 ZINC000036312918 569760401 /nfs/dbraw/zinc/76/04/01/569760401.db2.gz HKJSVDYSPZBVMO-FQEVSTJZSA-N 1 0 495.668 5.620 50 0 JKAARO C[C@H]1CCCCN1c1onc(-c2ccccc2)c1CN(CC[NH+](C)C)C(=O)c1cccc(F)c1 ZINC000036312855 569760463 /nfs/dbraw/zinc/76/04/63/569760463.db2.gz DQUCMLVLPYPHOD-FQEVSTJZSA-N 1 0 464.585 5.064 50 0 JKAARO CCCC[C@H](O)C[N@H+](CCC)Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1OC ZINC000036313670 569760944 /nfs/dbraw/zinc/76/09/44/569760944.db2.gz OCPVJDJQVOKCAA-QHCPKHFHSA-N 1 0 465.638 5.999 50 0 JKAARO CCCCOC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1)C(C)C ZINC000036313772 569761021 /nfs/dbraw/zinc/76/10/21/569761021.db2.gz PPKTXAQTPRKPAG-QHCPKHFHSA-N 1 0 481.637 5.276 50 0 JKAARO CCCC[C@@H](O)C[N@H+](CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1 ZINC000036313729 569761051 /nfs/dbraw/zinc/76/10/51/569761051.db2.gz DJQUDVOTTASVEL-HSZRJFAPSA-N 1 0 451.611 5.745 50 0 JKAARO CCCC[C@H](O)C[N@H+](CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F ZINC000036313813 569761074 /nfs/dbraw/zinc/76/10/74/569761074.db2.gz RRSCRXOWEKDWRV-NRFANRHFSA-N 1 0 455.574 5.018 50 0 JKAARO CCCCOC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C(C)C ZINC000036313820 569761083 /nfs/dbraw/zinc/76/10/83/569761083.db2.gz CLPJXIYNMFNPGH-QHCPKHFHSA-N 1 0 469.601 5.407 50 0 JKAARO CCCCOC[C@H](O)C[N@H+](CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1 ZINC000036313835 569761101 /nfs/dbraw/zinc/76/11/01/569761101.db2.gz NCWJRMHHTVHIHX-HSZRJFAPSA-N 1 0 469.601 5.408 50 0 JKAARO CCCC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccc(OC)cc1)CC1CC1 ZINC000036313853 569761131 /nfs/dbraw/zinc/76/11/31/569761131.db2.gz KUDMUSRMNWNHDN-DEOSSOPVSA-N 1 0 498.067 6.398 50 0 JKAARO CCCC[C@@H](O)C[N@@H+](Cc1c(C(C)C)nn(-c2ccccc2)c1Oc1ccccc1F)CC1CC1 ZINC000036313840 569761137 /nfs/dbraw/zinc/76/11/37/569761137.db2.gz MWFWZBXNIBAISF-XMMPIXPASA-N 1 0 479.640 6.690 50 0 JKAARO CCCCOC[C@@H](O)C[N@H+](CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1 ZINC000036313848 569761178 /nfs/dbraw/zinc/76/11/78/569761178.db2.gz FQDAXZLIZNWHOI-DEOSSOPVSA-N 1 0 451.611 5.363 50 0 JKAARO CCCC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)CC(C)C ZINC000036313795 569761257 /nfs/dbraw/zinc/76/12/57/569761257.db2.gz GJULVXIDBGXJNC-QHCPKHFHSA-N 1 0 465.638 5.897 50 0 JKAARO CCCC[C@@H](O)C[N@H+](CCC)Cc1c(CC)nn(-c2ccc(OC)cc2)c1Oc1ccccc1OC ZINC000036313888 569761301 /nfs/dbraw/zinc/76/13/01/569761301.db2.gz DWDLPEUWIQOQGD-HSZRJFAPSA-N 1 0 495.664 6.007 50 0 JKAARO CCCCOC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccccc1)CC1CC1 ZINC000036313858 569761444 /nfs/dbraw/zinc/76/14/44/569761444.db2.gz SAUPBZDTCOZYDY-VWLOTQADSA-N 1 0 498.067 6.016 50 0 JKAARO CCCCOC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)CC1CC1 ZINC000036313997 569761565 /nfs/dbraw/zinc/76/15/65/569761565.db2.gz SKQPFBLEJUGZDR-RUZDIDTESA-N 1 0 463.622 5.363 50 0 JKAARO CCCC[C@@H](O)C[N@H+](CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1 ZINC000036313958 569761583 /nfs/dbraw/zinc/76/15/83/569761583.db2.gz ZLFGSBPHIXHLTH-JOCHJYFZSA-N 1 0 451.611 5.651 50 0 JKAARO CCCCOC[C@@H](O)C[N@H+](CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1 ZINC000036313978 569761624 /nfs/dbraw/zinc/76/16/24/569761624.db2.gz PKGZUROPKIDHPM-QHCPKHFHSA-N 1 0 469.601 5.408 50 0 JKAARO CCCC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)CC1CC1 ZINC000036313922 569761690 /nfs/dbraw/zinc/76/16/90/569761690.db2.gz IAXKKYQXQKGVNM-XMMPIXPASA-N 1 0 463.622 5.745 50 0 JKAARO CCCCOC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C(C)C ZINC000036313926 569761705 /nfs/dbraw/zinc/76/17/05/569761705.db2.gz MKINBPPAVSCKET-VWLOTQADSA-N 1 0 465.638 5.669 50 0 JKAARO O=C1C[C@@H](N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000100490703 569762279 /nfs/dbraw/zinc/76/22/79/569762279.db2.gz UIQLJCSRNASJHE-XMMPIXPASA-N 1 0 494.422 5.033 50 0 JKAARO CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@H+](CC(C)C)C[C@H](O)COC(C)C ZINC000036316230 569762301 /nfs/dbraw/zinc/76/23/01/569762301.db2.gz BFFBSJYCSBDBBQ-DEOSSOPVSA-N 1 0 465.638 5.471 50 0 JKAARO CC[C@@H](C)[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@H](O)c1ccccc1 ZINC000036316212 569762384 /nfs/dbraw/zinc/76/23/84/569762384.db2.gz YPELQNCDXLCPAD-AMGIVPHBSA-N 1 0 455.602 6.214 50 0 JKAARO Cn1nc(-c2ccccc2)c(C[N@H+](C[C@H](O)COC(C)(C)C)C2CC2)c1Oc1ccccc1F ZINC000036316191 569762431 /nfs/dbraw/zinc/76/24/31/569762431.db2.gz MDXLPBCTTRCIJU-NRFANRHFSA-N 1 0 467.585 5.159 50 0 JKAARO CCCC(=O)OC[C@@H](O)C[N@@H+](CCC)Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1 ZINC000036316309 569762528 /nfs/dbraw/zinc/76/25/28/569762528.db2.gz BAQBSMMZMHDBHW-QHCPKHFHSA-N 1 0 479.621 5.143 50 0 JKAARO CCC[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1)C[C@@H](O)COC(C)C ZINC000036316295 569762549 /nfs/dbraw/zinc/76/25/49/569762549.db2.gz ZCQWZTRWKWYYLA-HSZRJFAPSA-N 1 0 451.611 5.225 50 0 JKAARO CCCCOC[C@H](O)C[N@H+](CCC)Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1 ZINC000036316316 569762646 /nfs/dbraw/zinc/76/26/46/569762646.db2.gz MTUSHHCJLCDKKS-XMMPIXPASA-N 1 0 465.638 5.617 50 0 JKAARO CCc1nn(-c2ccccc2)c(Oc2ccc(OC)cc2)c1C[N@H+](C[C@H](O)COC(C)(C)C)C(C)C ZINC000036316384 569762817 /nfs/dbraw/zinc/76/28/17/569762817.db2.gz GPQOEQJVGGEKFE-QHCPKHFHSA-N 1 0 495.664 5.622 50 0 JKAARO CCC[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@H](O)COC(C)C ZINC000036316468 569763027 /nfs/dbraw/zinc/76/30/27/569763027.db2.gz XXOXCTDDWVAQQF-QFIPXVFZSA-N 1 0 469.601 5.364 50 0 JKAARO CCc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[N@H+](C[C@@H](O)COC(C)C)CC1CC1 ZINC000036316523 569763190 /nfs/dbraw/zinc/76/31/90/569763190.db2.gz RQVVFDLQDQEHQC-XMMPIXPASA-N 1 0 481.612 5.364 50 0 JKAARO CCOC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)C(C)C ZINC000036316557 569763292 /nfs/dbraw/zinc/76/32/92/569763292.db2.gz WZHHUNBEAQUHIS-FQEVSTJZSA-N 1 0 458.002 5.141 50 0 JKAARO CCC[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C[C@H](O)COCC(C)C ZINC000036316506 569763295 /nfs/dbraw/zinc/76/32/95/569763295.db2.gz DAAUHQPZRUWCER-DEOSSOPVSA-N 1 0 483.628 5.612 50 0 JKAARO O=C(C[NH+]1CCC(Cc2ccccc2)CC1)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccccc1Cl ZINC000036340959 569764231 /nfs/dbraw/zinc/76/42/31/569764231.db2.gz MXNWRKTXGMLPEI-MUUNZHRXSA-N 1 0 490.022 6.112 50 0 JKAARO Cn1cccc1[C@H]1CC(c2ccccc2Cl)=NN1C(=O)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000036341937 569764844 /nfs/dbraw/zinc/76/48/44/569764844.db2.gz VBHPWYOBACSAPF-HHHXNRCGSA-N 1 0 475.036 5.311 50 0 JKAARO CCCC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(Cl)cc1)CC(C)C ZINC000036341942 569764901 /nfs/dbraw/zinc/76/49/01/569764901.db2.gz LSUDYYLXORYLTJ-DEOSSOPVSA-N 1 0 470.057 6.636 50 0 JKAARO CCOC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)[C@@H](C)CC ZINC000036342019 569765136 /nfs/dbraw/zinc/76/51/36/569765136.db2.gz DJXZBNVSSCHMDO-UGKGYDQZSA-N 1 0 455.574 5.110 50 0 JKAARO CC[C@@H](C)[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C[C@H](O)COCC(C)C ZINC000036342072 569765235 /nfs/dbraw/zinc/76/52/35/569765235.db2.gz UFVXQFREMLIJOW-BWKNWUBXSA-N 1 0 483.628 5.746 50 0 JKAARO CC[C@H](C)[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C[C@H](O)COC(C)C ZINC000036342071 569765241 /nfs/dbraw/zinc/76/52/41/569765241.db2.gz HAZHDLFDAJMUBC-RDPSFJRHSA-N 1 0 469.601 5.499 50 0 JKAARO CC[C@H](C)[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C[C@H](O)COCC(C)C ZINC000036342073 569765353 /nfs/dbraw/zinc/76/53/53/569765353.db2.gz UFVXQFREMLIJOW-OFVILXPXSA-N 1 0 483.628 5.746 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[N@@H+](C[C@H](O)COCC(C)C)C(C)C ZINC000036342058 569765365 /nfs/dbraw/zinc/76/53/65/569765365.db2.gz JVOSCEDJWXHUAO-DEOSSOPVSA-N 1 0 469.601 5.356 50 0 JKAARO CC[C@@H](C)[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C[C@H](O)COC(C)(C)C ZINC000036342074 569765374 /nfs/dbraw/zinc/76/53/74/569765374.db2.gz NHZSDIKWFHMHAA-YKSBVNFPSA-N 1 0 483.628 5.889 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[N@@H+](CC(C)C)C[C@H](O)COCC(C)C ZINC000036342024 569765387 /nfs/dbraw/zinc/76/53/87/569765387.db2.gz DZHVBYAHTPHHFH-VWLOTQADSA-N 1 0 483.628 5.604 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[N@H+](C[C@H](O)c1ccccc1)CC1CC1 ZINC000036342112 569765531 /nfs/dbraw/zinc/76/55/31/569765531.db2.gz KGASQGAHLSGMTM-NDEPHWFRSA-N 1 0 471.576 6.058 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[N@H+](C[C@@H](O)COC(C)C)CC1CC1 ZINC000036342115 569765545 /nfs/dbraw/zinc/76/55/45/569765545.db2.gz HHYXBQPVSFEBMX-XMMPIXPASA-N 1 0 467.585 5.110 50 0 JKAARO Cc1ccc([C@H]2CC(c3cccc(F)c3)=NN2C(=O)C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000036343691 569766496 /nfs/dbraw/zinc/76/64/96/569766496.db2.gz RWDFZHYGTZFTIW-GDLZYMKVSA-N 1 0 469.604 5.767 50 0 JKAARO Cc1cccc(C2=NN(C(=O)C[NH+]3CCC(Cc4ccccc4)CC3)[C@@H](c3ccccc3Cl)C2)c1 ZINC000036343812 569766522 /nfs/dbraw/zinc/76/65/22/569766522.db2.gz JQLKOLHCDOJJEU-GDLZYMKVSA-N 1 0 486.059 6.281 50 0 JKAARO CCOc1ccc([C@H]2CC(c3ccc(C)cc3)=NN2C(=O)C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000036344093 569766723 /nfs/dbraw/zinc/76/67/23/569766723.db2.gz KPLPAMFSFIBUTL-WJOKGBTCSA-N 1 0 495.667 6.026 50 0 JKAARO COc1cccc(C2=NN(C(=O)C[NH+]3CCC(Cc4ccccc4)CC3)[C@@H](c3cc(C)ccc3C)C2)c1 ZINC000036344587 569767054 /nfs/dbraw/zinc/76/70/54/569767054.db2.gz LMRJTSBVQJRKEK-WJOKGBTCSA-N 1 0 495.667 5.944 50 0 JKAARO Cc1ccccc1[C@@H]1CC(c2ccccc2Cl)=NN1C(=O)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000036344897 569767374 /nfs/dbraw/zinc/76/73/74/569767374.db2.gz CSDIIVXRAPLZJB-LJAQVGFWSA-N 1 0 486.059 6.281 50 0 JKAARO Cc1ccccc1[C@H]1CC(c2ccc(F)cc2)=NN1C(=O)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000036344866 569767401 /nfs/dbraw/zinc/76/74/01/569767401.db2.gz VCRXHOFAHCBJEN-GDLZYMKVSA-N 1 0 469.604 5.767 50 0 JKAARO COc1ccccc1C1=NN(C(=O)C[NH+]2CCC(Cc3ccccc3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000036344838 569767403 /nfs/dbraw/zinc/76/74/03/569767403.db2.gz FJEUSDJCFLIZKZ-MUUNZHRXSA-N 1 0 485.603 5.467 50 0 JKAARO COc1cccc(C2=NN(C(=O)C[NH+]3CCC(Cc4ccccc4)CC3)[C@H](c3ccccc3C)C2)c1 ZINC000036344965 569767405 /nfs/dbraw/zinc/76/74/05/569767405.db2.gz HKGTUPOAUCFROK-PMERELPUSA-N 1 0 481.640 5.636 50 0 JKAARO COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000036345083 569767703 /nfs/dbraw/zinc/76/77/03/569767703.db2.gz BJQGNAWQWFWONI-LJAQVGFWSA-N 1 0 467.613 5.328 50 0 JKAARO COc1ccc([C@H]2CC(c3ccccc3OC)=NN2C(=O)C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000036345158 569767705 /nfs/dbraw/zinc/76/77/05/569767705.db2.gz UITKWYCRLLOMQA-GDLZYMKVSA-N 1 0 497.639 5.336 50 0 JKAARO CCCCOC[C@H](O)C[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C(C)C ZINC000036345797 569768197 /nfs/dbraw/zinc/76/81/97/569768197.db2.gz VPRIYPCMQQUGQC-XMMPIXPASA-N 1 0 483.628 5.754 50 0 JKAARO CCc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[N@H+](C[C@H](O)COC(C)C)C(C)C ZINC000036345799 569768221 /nfs/dbraw/zinc/76/82/21/569768221.db2.gz RTSOXBRVGHZHTN-QHCPKHFHSA-N 1 0 469.601 5.362 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@@H+](C[C@H](O)COC(C)C)C(C)C ZINC000036345857 569768453 /nfs/dbraw/zinc/76/84/53/569768453.db2.gz AVNXGZZPIFGHCZ-DEOSSOPVSA-N 1 0 451.611 5.278 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@H+](C[C@@H](O)COC(C)C)CC1CC1 ZINC000036345942 569768521 /nfs/dbraw/zinc/76/85/21/569768521.db2.gz KNRAFISEBOJZQW-RUZDIDTESA-N 1 0 463.622 5.279 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@H+](CC(C)C)C[C@@H](O)COC(C)C ZINC000036345962 569768532 /nfs/dbraw/zinc/76/85/32/569768532.db2.gz PXNMFUFFOHDUTP-HSZRJFAPSA-N 1 0 469.601 5.356 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@H+](CC(C)C)C[C@H](O)COC(C)(C)C ZINC000036345971 569768616 /nfs/dbraw/zinc/76/86/16/569768616.db2.gz WFKZUFJFXFWWJQ-QHCPKHFHSA-N 1 0 483.628 5.746 50 0 JKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@@H](O)COCC(C)C ZINC000036345920 569768658 /nfs/dbraw/zinc/76/86/58/569768658.db2.gz AVCLVGVUQHUPQH-RUZDIDTESA-N 1 0 465.638 5.527 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@H+](C[C@H](O)COC(C)C)CC1CC1 ZINC000036346081 569768774 /nfs/dbraw/zinc/76/87/74/569768774.db2.gz OZLHQAKUVICDEF-QHCPKHFHSA-N 1 0 467.585 5.110 50 0 JKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@H](O)COCC(C)C ZINC000036346059 569768837 /nfs/dbraw/zinc/76/88/37/569768837.db2.gz HEIDMPYZRQGRMS-QHCPKHFHSA-N 1 0 469.601 5.358 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@@H+](CC(C)C)C[C@@H](O)COCC(C)C ZINC000036346222 569769160 /nfs/dbraw/zinc/76/91/60/569769160.db2.gz SROBGHKZHWUEQB-RUZDIDTESA-N 1 0 483.628 5.604 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@H+](CC(C)C)C[C@H](O)Cc1ccccc1 ZINC000036346219 569769187 /nfs/dbraw/zinc/76/91/87/569769187.db2.gz XLQWLJIEIXNCLP-HHHXNRCGSA-N 1 0 487.619 6.174 50 0 JKAARO CCCC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)CC(C)C ZINC000036346212 569769190 /nfs/dbraw/zinc/76/91/90/569769190.db2.gz DINYZNJWZXOZFM-XMMPIXPASA-N 1 0 453.602 6.121 50 0 JKAARO CCCCOC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)CC(C)C ZINC000036346213 569769252 /nfs/dbraw/zinc/76/92/52/569769252.db2.gz XPAXBIYBLGQDHI-RUZDIDTESA-N 1 0 483.628 5.748 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@H+](C[C@H](O)Cc1ccccc1)C1CC1 ZINC000036346340 569769511 /nfs/dbraw/zinc/76/95/11/569769511.db2.gz VIULAZBSMAEKOM-AREMUKBSSA-N 1 0 471.576 5.680 50 0 JKAARO CC[C@@H](C)[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@H](O)COC(C)(C)C ZINC000036346317 569769532 /nfs/dbraw/zinc/76/95/32/569769532.db2.gz LFNPGAZHABVBTM-YKSBVNFPSA-N 1 0 483.628 5.889 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@H+](C[C@@H](O)COCC(C)C)CC1CC1 ZINC000036346426 569769790 /nfs/dbraw/zinc/76/97/90/569769790.db2.gz HUKBYGVYRJYPDO-RUZDIDTESA-N 1 0 481.612 5.358 50 0 JKAARO Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@H+](C[C@H](O)COC(C)C)CC1CC1 ZINC000036346419 569769793 /nfs/dbraw/zinc/76/97/93/569769793.db2.gz WXJHIVPEWPVKGJ-DEOSSOPVSA-N 1 0 467.585 5.110 50 0 JKAARO COc1ccc(-n2nc(C(C)C)c(C[N@H+](C[C@@H](O)COC(C)C)C(C)C)c2Oc2ccccc2)cc1 ZINC000036346468 569769843 /nfs/dbraw/zinc/76/98/43/569769843.db2.gz OAEQQKCOTODTDR-XMMPIXPASA-N 1 0 495.664 5.793 50 0 JKAARO CCC[C@@H](O)C[N@H+](Cc1c(C(C)C)nn(-c2ccc(OC)cc2)c1Oc1ccccc1)C1CC1 ZINC000036346484 569769873 /nfs/dbraw/zinc/76/98/73/569769873.db2.gz KPJCHFIJAJZBAX-HSZRJFAPSA-N 1 0 463.622 5.922 50 0 JKAARO COc1ccc(-n2nc(C(C)C)c(C[N@H+](C[C@H](O)COC(C)C)C(C)C)c2Oc2ccccc2)cc1 ZINC000036346467 569769974 /nfs/dbraw/zinc/76/99/74/569769974.db2.gz OAEQQKCOTODTDR-DEOSSOPVSA-N 1 0 495.664 5.793 50 0 JKAARO CCOC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)[C@@H](C)CC ZINC000036346562 569770135 /nfs/dbraw/zinc/77/01/35/569770135.db2.gz WOBFMMXUQLTEOH-AVRDEDQJSA-N 1 0 473.564 5.249 50 0 JKAARO CCc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@H+](C[C@@H](O)COC(C)(C)C)CC1CC1 ZINC000036346547 569770150 /nfs/dbraw/zinc/77/01/50/569770150.db2.gz VBKOQMQWZPXCRQ-RUZDIDTESA-N 1 0 491.676 5.923 50 0 JKAARO CCOC[C@H](O)C[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(C)cc1)CC1CC1 ZINC000036346552 569770168 /nfs/dbraw/zinc/77/01/68/569770168.db2.gz XUMMMRRDOXDYIK-XMMPIXPASA-N 1 0 463.622 5.145 50 0 JKAARO CCCCOC[C@H](O)C[N@H+](CCC)Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccccc1F ZINC000036346617 569770284 /nfs/dbraw/zinc/77/02/84/569770284.db2.gz ZHDMPAKBUCLVJY-HSZRJFAPSA-N 1 0 487.591 5.641 50 0 JKAARO CCCC[C@H](O)C[N@H+](CCC)Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccccc1F ZINC000036346615 569770427 /nfs/dbraw/zinc/77/04/27/569770427.db2.gz ZRHGXEHGWCLBFK-QFIPXVFZSA-N 1 0 457.565 6.014 50 0 JKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1cccc(F)c1)C[C@@H](O)COCC(C)C ZINC000036346656 569770464 /nfs/dbraw/zinc/77/04/64/569770464.db2.gz LXACEASVEDFNSR-XMMPIXPASA-N 1 0 487.591 5.497 50 0 JKAARO Cc1nn(-c2ccc(F)cc2)c(Oc2ccc(F)cc2)c1C[N@@H+](C[C@@H](O)COCC(C)C)C(C)C ZINC000036346700 569770521 /nfs/dbraw/zinc/77/05/21/569770521.db2.gz HOFNTEMVTVGZTD-XMMPIXPASA-N 1 0 487.591 5.495 50 0 JKAARO CCCCOC[C@@H](O)C[N@H+](CCC)Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1cccc(F)c1 ZINC000036346676 569770606 /nfs/dbraw/zinc/77/06/06/569770606.db2.gz UNGGWZDENUHHHX-DEOSSOPVSA-N 1 0 487.591 5.641 50 0 JKAARO Cc1ccc(Oc2c(C[N@H+](CC(C)C)C[C@@H](O)Cc3ccccc3)c(-c3ccccc3)nn2C)cc1 ZINC000036346774 569770827 /nfs/dbraw/zinc/77/08/27/569770827.db2.gz UWQOYRBKSBGHTC-MHZLTWQESA-N 1 0 483.656 6.249 50 0 JKAARO CCCCOC[C@H](O)C[N@H+](CCC)Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1 ZINC000036346769 569770830 /nfs/dbraw/zinc/77/08/30/569770830.db2.gz IIECWYPGCXXSFC-XMMPIXPASA-N 1 0 487.591 5.641 50 0 JKAARO CCOC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)CC(C)C ZINC000036346792 569770848 /nfs/dbraw/zinc/77/08/48/569770848.db2.gz DGBDPZRSGVKIJF-QHCPKHFHSA-N 1 0 451.611 5.043 50 0 JKAARO Cc1sc(NC(=O)c2ccco2)c([C@@H](c2ccc3c(c2)OCCO3)[N@@H+]2C[C@H](C)C[C@H](C)C2)c1C ZINC000036405661 569775432 /nfs/dbraw/zinc/77/54/32/569775432.db2.gz XRXVBSQYFGNTKU-LEHBWIKQSA-N 1 0 480.630 6.049 50 0 JKAARO CCCCn1c(=S)n(CN2CCC[C@H]2c2cc(OC)ccc2OC)nc1[C@@H](CC)[NH+](C)C ZINC000037200206 569781581 /nfs/dbraw/zinc/78/15/81/569781581.db2.gz RGMISIFYKJPALE-RTWAWAEBSA-N 1 0 461.676 5.039 50 0 JKAARO COc1cccc([C@@H]2C[N@H+](Cc3cccc(C)c3)C[C@H]2CN(CC(C)C)C(=O)c2ccc(F)cc2)c1 ZINC000037276306 569782237 /nfs/dbraw/zinc/78/22/37/569782237.db2.gz SLUROFLKXDYWOD-FIBWVYCGSA-N 1 0 488.647 6.157 50 0 JKAARO COc1ccc(C(=O)N(c2cccc(OC)c2)C2CC[NH+](Cc3cc(OC)cc(OC)c3)CC2)cc1 ZINC000037280047 569782499 /nfs/dbraw/zinc/78/24/99/569782499.db2.gz DJSPAWGRYQCADC-UHFFFAOYSA-N 1 0 490.600 5.032 50 0 JKAARO CC[C@@H](C(=O)NCC[NH+]1CCCC1)n1c(Cc2c(Cl)cccc2Cl)nc2ccccc21 ZINC000037398413 569787216 /nfs/dbraw/zinc/78/72/16/569787216.db2.gz FIFXGDZEHQAVQT-NRFANRHFSA-N 1 0 459.421 5.097 50 0 JKAARO COCCN(C[C@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2)C[C@@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000037523702 569792813 /nfs/dbraw/zinc/79/28/13/569792813.db2.gz DHAGJVWJCBQOKF-ZJSXRUAMSA-N 1 0 480.546 5.191 50 0 JKAARO Cc1ccc(C(=O)N(CC(C)C)C[C@@H]2C[N@H+](Cc3cccc(C)c3)C[C@@H]2c2ccccc2)cc1 ZINC000037524151 569793012 /nfs/dbraw/zinc/79/30/12/569793012.db2.gz YDYMUUXDTQCDMN-XZWHSSHBSA-N 1 0 454.658 6.317 50 0 JKAARO CC(C)CN(C[C@@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2)C[C@@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000037524373 569793148 /nfs/dbraw/zinc/79/31/48/569793148.db2.gz FNPXVOPFENBXQK-WIOPSUGQSA-N 1 0 478.574 6.201 50 0 JKAARO Cc1ccc(C(=O)NCC2CCCCC2)c(C2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)n1 ZINC000037554268 569794621 /nfs/dbraw/zinc/79/46/21/569794621.db2.gz DBYSBHMOIWOCDF-UHFFFAOYSA-N 1 0 473.583 6.099 50 0 JKAARO COc1ccc(C[NH+]2CCC(N(c3ccc(C)cc3)S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000037570542 569795714 /nfs/dbraw/zinc/79/57/14/569795714.db2.gz JWCNVQTXDFEVHZ-UHFFFAOYSA-N 1 0 464.631 5.172 50 0 JKAARO Cc1cccc(C[NH+]2CCC(N(c3ccc(F)cc3)S(=O)(=O)c3cccc(C)c3)CC2)c1 ZINC000037570701 569795835 /nfs/dbraw/zinc/79/58/35/569795835.db2.gz UUCRLHJQEIUQLO-UHFFFAOYSA-N 1 0 452.595 5.302 50 0 JKAARO CCc1ccc(N(C(=O)c2ccccc2)C2CC[NH+](Cc3cc(OC)cc(OC)c3)CC2)cc1 ZINC000037580731 569796607 /nfs/dbraw/zinc/79/66/07/569796607.db2.gz OHUXBZLZEIZYNC-UHFFFAOYSA-N 1 0 458.602 5.578 50 0 JKAARO COc1ccc([C@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)[NH+]2CCCCC2)cc1 ZINC000038545954 569802453 /nfs/dbraw/zinc/80/24/53/569802453.db2.gz NLGCSWOYXFSFBX-XMMPIXPASA-N 1 0 450.604 6.056 50 0 JKAARO COc1ccc(OC)c([C@@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)[NH+]2CCCCC2)c1 ZINC000038546142 569802638 /nfs/dbraw/zinc/80/26/38/569802638.db2.gz BYZOIUFRAZBSCU-VWLOTQADSA-N 1 0 480.630 6.065 50 0 JKAARO COc1ccc([C@H](c2c(C)c(C)sc2NC(=O)c2cccs2)[NH+]2CCCCC2)cc1OC ZINC000038545996 569802644 /nfs/dbraw/zinc/80/26/44/569802644.db2.gz COSGFDGJWHWVPU-HSZRJFAPSA-N 1 0 470.660 6.271 50 0 JKAARO O=C(Nc1sc2c(c1[C@@H](c1ccccc1Cl)[NH+]1CCCCC1)CCCC2)c1ccco1 ZINC000038545964 569802715 /nfs/dbraw/zinc/80/27/15/569802715.db2.gz XNTIXUZAXUZYES-HSZRJFAPSA-N 1 0 455.023 6.701 50 0 JKAARO COc1ccc(OC)c([C@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)[NH+]2CCCCC2)c1 ZINC000038546143 569802719 /nfs/dbraw/zinc/80/27/19/569802719.db2.gz BYZOIUFRAZBSCU-RUZDIDTESA-N 1 0 480.630 6.065 50 0 JKAARO CCc1cc([C@@H](c2ccc(OC)cc2OC)[NH+]2CCC(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546297 569802742 /nfs/dbraw/zinc/80/27/42/569802742.db2.gz BBCULINQZSPTQS-XMMPIXPASA-N 1 0 468.619 5.994 50 0 JKAARO CCc1cc([C@H](c2ccc(OC)cc2OC)[NH+]2CCC(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546298 569802804 /nfs/dbraw/zinc/80/28/04/569802804.db2.gz BBCULINQZSPTQS-DEOSSOPVSA-N 1 0 468.619 5.994 50 0 JKAARO COc1cccc([C@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)[NH+]2CCC(C)CC2)c1 ZINC000038546312 569802982 /nfs/dbraw/zinc/80/29/82/569802982.db2.gz KTGAIHAUIWBLOF-RUZDIDTESA-N 1 0 464.631 6.302 50 0 JKAARO CCOC(=O)C1CC[NH+]([C@H](c2cccs2)c2c(NC(=O)c3ccco3)sc3c2CCCC3)CC1 ZINC000038546397 569803091 /nfs/dbraw/zinc/80/30/91/569803091.db2.gz AAMSITXGHIMDHQ-HSZRJFAPSA-N 1 0 498.670 5.898 50 0 JKAARO CCc1cc([C@H](c2ccc(SC)cc2)N2CC[NH+](CC)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546548 569803222 /nfs/dbraw/zinc/80/32/22/569803222.db2.gz CRXCROQPGDAWQM-QHCPKHFHSA-N 1 0 469.676 5.605 50 0 JKAARO CCc1cc([C@@H](c2ccc(C(C)C)cc2)N2CC[NH+](CC)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546549 569803301 /nfs/dbraw/zinc/80/33/01/569803301.db2.gz YJYSCCLEMQXXPQ-RUZDIDTESA-N 1 0 465.663 6.006 50 0 JKAARO CC[NH+]1CCN([C@H](c2c3c(sc2NC(=O)c2ccco2)CCCC3)c2cccc(OC)c2)CC1 ZINC000038546569 569803358 /nfs/dbraw/zinc/80/33/58/569803358.db2.gz OTFDWOXVWSLSBD-VWLOTQADSA-N 1 0 479.646 5.208 50 0 JKAARO CC[NH+]1CCN([C@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)c2cccc(F)c2)CC1 ZINC000038546581 569803361 /nfs/dbraw/zinc/80/33/61/569803361.db2.gz BWGHHZJGJVLDLH-DEOSSOPVSA-N 1 0 467.610 5.338 50 0 JKAARO CC[NH+]1CCN([C@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)c2cccc(Cl)c2)CC1 ZINC000038546575 569803389 /nfs/dbraw/zinc/80/33/89/569803389.db2.gz YZFVJYRRPKRNJN-DEOSSOPVSA-N 1 0 484.065 5.853 50 0 JKAARO CC[NH+]1CCN([C@H](c2c3c(sc2NC(=O)c2ccco2)CCCC3)c2ccc(OC)cc2)CC1 ZINC000038546567 569803406 /nfs/dbraw/zinc/80/34/06/569803406.db2.gz JDFXRGWFCLTJCO-VWLOTQADSA-N 1 0 479.646 5.208 50 0 JKAARO CC[NH+]1CCN([C@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)c2ccc(C)cc2)CC1 ZINC000038546592 569803437 /nfs/dbraw/zinc/80/34/37/569803437.db2.gz OVVMJBQNJBLSID-VWLOTQADSA-N 1 0 463.647 5.508 50 0 JKAARO COc1cccc([C@@H](c2c(C)c(C)sc2NC(=O)c2cccs2)[NH+]2CCC(C)CC2)c1 ZINC000038546706 569803483 /nfs/dbraw/zinc/80/34/83/569803483.db2.gz CGEFUMGTUDHFRZ-QHCPKHFHSA-N 1 0 454.661 6.509 50 0 JKAARO CC[NH+]1CCN([C@H](c2c(C)c(C)sc2NC(=O)c2cccs2)c2cccc(OC)c2OC)CC1 ZINC000038550549 569805041 /nfs/dbraw/zinc/80/50/41/569805041.db2.gz OEROBQJWJIQZJK-QHCPKHFHSA-N 1 0 499.702 5.423 50 0 JKAARO O[C@@H]1C[C@H](c2ccc(Br)cc2)[NH2+][C@@H](c2ccc(Br)cc2)[C@H]1c1ccccc1 ZINC000102056193 569809270 /nfs/dbraw/zinc/80/92/70/569809270.db2.gz FXLMKLWTDDMCBW-LUKWVAJMSA-N 1 0 487.235 6.132 50 0 JKAARO CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](c2ccccc2)[C@@H]([NH3+])c2ccccc2)c(C(C)C)c1 ZINC000039183456 569809291 /nfs/dbraw/zinc/80/92/91/569809291.db2.gz FWSBAKFIRHTBCY-NSOVKSMOSA-N 1 0 478.702 6.776 50 0 JKAARO Clc1ccc(OC2=CC[N@H+](CCCN(c3ccccc3)c3ccccc3)CC2)cc1Cl ZINC000039281603 569809369 /nfs/dbraw/zinc/80/93/69/569809369.db2.gz RBYOVPBMRAJTHT-UHFFFAOYSA-N 1 0 453.413 7.190 50 0 JKAARO CCN1c2ccccc2C=C/C1=C\C=C1/CCC(/C=C/c2ccc3ccccc3[n+]2CC)=C1OC ZINC000039440239 569809929 /nfs/dbraw/zinc/80/99/29/569809929.db2.gz PHTTXHPTAZWOMD-UHFFFAOYSA-N 1 0 461.629 7.218 50 0 JKAARO COC1=C(/C=C/C2=[N+](C)c3ccccc3C2(C)C)CCC/C1=C\C=C1\N(C)c2ccccc2C1(C)C ZINC000039440217 569809935 /nfs/dbraw/zinc/80/99/35/569809935.db2.gz JXZSXALMGKARFB-UHFFFAOYSA-N 1 0 479.688 7.571 50 0 JKAARO CCN1c2ccc(C)cc2S/C1=C/C1=C/C(=C/c2sc3cc(C)ccc3[n+]2CC)CC(C)(C)C1 ZINC000039440308 569809936 /nfs/dbraw/zinc/80/99/36/569809936.db2.gz JMKAGOTZFXGVJD-UHFFFAOYSA-N 1 0 487.758 8.429 50 0 JKAARO CCC(=C(c1ccc(OC)cc1)c1ccc(OC)cc1)c1cn(C[C@@H](O)[NH+]2CCCC2)c2ccccc12 ZINC000039929736 569812238 /nfs/dbraw/zinc/81/22/38/569812238.db2.gz CTLLLONHGCGTMU-WJOKGBTCSA-N 1 0 496.651 6.442 50 0 JKAARO CCC(=C(c1ccc(OC)cc1)c1ccc(OC)cc1)c1cn(C[C@H](O)[NH+]2CCCC2)c2ccccc12 ZINC000039929735 569812303 /nfs/dbraw/zinc/81/23/03/569812303.db2.gz CTLLLONHGCGTMU-HKBQPEDESA-N 1 0 496.651 6.442 50 0 JKAARO O[C@@H](C[NH2+]CC1(N2CCCCC2)CCCCC1)COC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000039945627 569812493 /nfs/dbraw/zinc/81/24/93/569812493.db2.gz RRTHZNDSKOOBFW-SANMLTNESA-N 1 0 472.620 5.210 50 0 JKAARO NC1=C(c2nc(-c3ccc(Cl)cc3)cs2)C(=O)CN1C1CC[NH+](Cc2ccccc2)CC1 ZINC000102716672 569817035 /nfs/dbraw/zinc/81/70/35/569817035.db2.gz LAIXBTLGHSWOIT-UHFFFAOYSA-N 1 0 465.022 5.690 50 0 JKAARO Cc1cc(Br)c(NC(=O)C[NH2+][C@H](C)C23CC4CC(CC(C4)C2)C3)c(Br)c1 ZINC000040161489 569822797 /nfs/dbraw/zinc/82/27/97/569822797.db2.gz FYZDLOIYYLKIRR-BUBBNXEVSA-N 1 0 484.276 5.653 50 0 JKAARO O=C(CN1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000042385207 569838022 /nfs/dbraw/zinc/83/80/22/569838022.db2.gz HGXDZMJXZRYSSQ-UHFFFAOYSA-N 1 0 493.879 5.524 50 0 JKAARO Clc1ccc(CN2CC[NH+](CCCOc3ccc(/C=C/c4ccc5ccccc5n4)cc3)CC2)cc1 ZINC000043761423 569838491 /nfs/dbraw/zinc/83/84/91/569838491.db2.gz FWBNQOBEEZOKTK-RIYZIHGNSA-N 1 0 498.070 6.645 50 0 JKAARO O=C(Nc1ccc(C(=O)OC[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1)c1cccc(Br)c1 ZINC000043902643 569838627 /nfs/dbraw/zinc/83/86/27/569838627.db2.gz VCPJOSLAPPPDGI-UGKGYDQZSA-N 1 0 471.395 5.123 50 0 JKAARO CCOc1ccc(C[N@@H+](Cc2cc(=O)n3nc(C4CCCCC4)sc3n2)CC(C)C)cc1 ZINC000046032489 569843092 /nfs/dbraw/zinc/84/30/92/569843092.db2.gz KIGCXSKGBIKGOT-UHFFFAOYSA-N 1 0 454.640 5.256 50 0 JKAARO O=C(CN1Cc2ccccc2O[C@@H](c2ccsc2)C1)N1CCC[C@H]1c1nc2cc(F)ccc2[nH]1 ZINC000104377513 569845462 /nfs/dbraw/zinc/84/54/62/569845462.db2.gz PRNUSSOUKCTDRZ-LADGPHEKSA-N 1 0 476.577 5.063 50 0 JKAARO O=C(NC1CCCCC1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](Cc3ccccc3)C[C@H]12 ZINC000104920069 569847237 /nfs/dbraw/zinc/84/72/37/569847237.db2.gz BCYNWSGEAWBBGC-ILBGXUMGSA-N 1 0 471.567 5.017 50 0 JKAARO O=C(Nc1ccc(F)cc1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](CCc3ccccc3)C[C@H]12 ZINC000104920861 569847470 /nfs/dbraw/zinc/84/74/70/569847470.db2.gz DPFNBUONIKTKMH-AOYPEHQESA-N 1 0 497.536 5.389 50 0 JKAARO CC(C)(C)OC[C@H](O)C[N@@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000104982940 569847919 /nfs/dbraw/zinc/84/79/19/569847919.db2.gz QSKXJZAHXPBEIM-WOJBJXKFSA-N 1 0 499.866 5.818 50 0 JKAARO O[C@@H](COCc1ccccc1)C[N@@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2Cl)=NO1 ZINC000104982867 569847940 /nfs/dbraw/zinc/84/79/40/569847940.db2.gz QHQGHJBLSFZOGI-DNQXCXABSA-N 1 0 499.438 5.566 50 0 JKAARO O[C@H](COCc1ccccc1)C[N@@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104983119 569847946 /nfs/dbraw/zinc/84/79/46/569847946.db2.gz ZMBILRAWYDXLTA-IZZNHLLZSA-N 1 0 482.983 5.052 50 0 JKAARO CC(C)(C)OC[C@@H](O)C[N@@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000104982938 569847958 /nfs/dbraw/zinc/84/79/58/569847958.db2.gz QSKXJZAHXPBEIM-VQTJNVASSA-N 1 0 499.866 5.818 50 0 JKAARO CC(C)OC[C@@H](O)C[N@@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000104982936 569848043 /nfs/dbraw/zinc/84/80/43/569848043.db2.gz HXMYAUYHMKSGBA-VQTJNVASSA-N 1 0 485.839 5.428 50 0 JKAARO CC(C)COC[C@H](O)C[N@@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104982583 569848046 /nfs/dbraw/zinc/84/80/46/569848046.db2.gz OYUIYUCASGMLEV-DHIUTWEWSA-N 1 0 465.421 5.022 50 0 JKAARO O=C(NCc1ccccc1)C1CC[NH+](Cc2cc3ccccc3n2Cc2cccc(F)c2)CC1 ZINC000049535981 569848220 /nfs/dbraw/zinc/84/82/20/569848220.db2.gz LXYBAUKKAHJMGJ-UHFFFAOYSA-N 1 0 455.577 5.357 50 0 JKAARO CC(C)COC[C@H](O)C[N@@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2Cl)=NO1 ZINC000104983589 569848228 /nfs/dbraw/zinc/84/82/28/569848228.db2.gz QFAPNMPNOGSIED-NHCUHLMSSA-N 1 0 465.421 5.022 50 0 JKAARO CC(C)COC[C@@H](O)C[N@@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2Cl)=NO1 ZINC000104983582 569848244 /nfs/dbraw/zinc/84/82/44/569848244.db2.gz QFAPNMPNOGSIED-LEWJYISDSA-N 1 0 465.421 5.022 50 0 JKAARO O=C(NCc1ccccc1)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000049535977 569848276 /nfs/dbraw/zinc/84/82/76/569848276.db2.gz JXDMTLAPXYOYOE-UHFFFAOYSA-N 1 0 455.577 5.357 50 0 JKAARO O=C(NC1CCCC1)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1 ZINC000049535959 569848303 /nfs/dbraw/zinc/84/83/03/569848303.db2.gz QYOADSGEZLXHQF-UHFFFAOYSA-N 1 0 450.026 5.614 50 0 JKAARO O[C@@H](COCc1ccco1)C[N@@H+](Cc1ccccc1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000104983743 569848327 /nfs/dbraw/zinc/84/83/27/569848327.db2.gz DVHMFWPEHCPBRK-IFMALSPDSA-N 1 0 489.399 5.159 50 0 JKAARO O[C@H](COCc1ccccc1)C[N@@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2F)=NO1 ZINC000104984412 569848463 /nfs/dbraw/zinc/84/84/63/569848463.db2.gz ATHVCOCDINHFLE-BJKOFHAPSA-N 1 0 482.983 5.052 50 0 JKAARO 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C[C@@H]1CCC[C@@H]([N@H+](CCCNC(=O)c2noc3c2COc2ccccc2-3)Cc2ccco2)[C@H]1C ZINC000245343236 570067196 /nfs/dbraw/zinc/06/71/96/570067196.db2.gz JCRBPZCYHMFIKU-SELNLUPBSA-N 1 0 463.578 5.274 50 0 JKAARO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1[C@H](C)C(=O)N1CCCN(C(=O)C2CCCCC2)CC1 ZINC000248052441 570073209 /nfs/dbraw/zinc/07/32/09/570073209.db2.gz AYQFJXQPCMBHOI-AJTFRIOCSA-N 1 0 493.717 5.034 50 0 JKAARO CC(=O)N(Cc1ccc(F)cc1)C[C@@H]1C[N@H+](Cc2ccc3c(c2)OCO3)C[C@H]1c1ccc(C)cc1 ZINC000248094825 570073901 /nfs/dbraw/zinc/07/39/01/570073901.db2.gz NNGNDUXUPSVJRF-BDYUSTAISA-N 1 0 474.576 5.127 50 0 JKAARO Cc1ccccc1[C@@H]1C[N@H+](Cc2cccs2)C[C@H]1CN(C(=O)c1ccccc1)C1CCCCC1 ZINC000248117397 570074363 /nfs/dbraw/zinc/07/43/63/570074363.db2.gz VUGQTLDSYHGAFJ-ABYGYWHVSA-N 1 0 472.698 6.747 50 0 JKAARO Cc1ccccc1[C@H]1C[N@H+](Cc2cccc(F)c2)C[C@H]1CN(C(=O)c1ccccc1)C1CCCCC1 ZINC000248119608 570074486 /nfs/dbraw/zinc/07/44/86/570074486.db2.gz WTEHJWYQSSVQEZ-DHIFEGFHSA-N 1 0 484.659 6.825 50 0 JKAARO COCCN(C[C@@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2)C[C@H]1c1ccccc1C)C(=O)C(C)C ZINC000248120841 570074498 /nfs/dbraw/zinc/07/44/98/570074498.db2.gz XPEYLXKWZFOJEJ-WIOPSUGQSA-N 1 0 476.583 5.360 50 0 JKAARO Cc1ccccc1[C@@H]1C[N@@H+](Cc2ccc(F)c(F)c2)C[C@H]1CN(C(=O)c1ccccc1)C(C)C ZINC000248124125 570074623 /nfs/dbraw/zinc/07/46/23/570074623.db2.gz ZILLPNFYGNAFRY-AZGAKELHSA-N 1 0 462.584 6.040 50 0 JKAARO COc1ccccc1[C@@H]1C[N@H+](Cc2cccs2)C[C@H]1CN(Cc1ccccc1)C(=O)C(C)C ZINC000248165229 570075871 /nfs/dbraw/zinc/07/58/71/570075871.db2.gz NXCZNMHYMPSESG-JYFHCDHNSA-N 1 0 462.659 5.657 50 0 JKAARO CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCCC[N@@H+]2CCCC[C@H]2C)[C@H]1c1cccs1 ZINC000248210981 570076314 /nfs/dbraw/zinc/07/63/14/570076314.db2.gz DHCHYCBEEYGKTM-DCEDVJGZSA-N 1 0 467.679 5.066 50 0 JKAARO CC(C)CN(C[C@H]1C[N@H+](Cc2ccc(F)cc2)C[C@H]1c1ccc(F)cc1)C(=O)c1ccccc1 ZINC000248249910 570076719 /nfs/dbraw/zinc/07/67/19/570076719.db2.gz RYFZSHRMILLWDS-NAKRPHOHSA-N 1 0 462.584 5.979 50 0 JKAARO COc1ccc([C@@H]2C=C(c3ccccc3)S[C@]3(SC[C@H]4C[NH+]=C(N)S4)CCCC[C@H]23)cc1 ZINC000248249999 570076759 /nfs/dbraw/zinc/07/67/59/570076759.db2.gz OWNRYRHRVALGOO-ZGXDEKTJSA-N 1 0 482.740 6.617 50 0 JKAARO Cc1ccc(C(=O)N(CC(C)C)C[C@@H]2C[N@H+](Cc3cccc(C)c3)C[C@H]2c2ccccc2)cc1 ZINC000248267138 570077222 /nfs/dbraw/zinc/07/72/22/570077222.db2.gz YDYMUUXDTQCDMN-KYJUHHDHSA-N 1 0 454.658 6.317 50 0 JKAARO COc1cccc([C@@H]2C[N@H+](Cc3ccccc3Cl)C[C@H]2CN(CC(C)C)C(=O)c2ccccc2)c1 ZINC000248271441 570077306 /nfs/dbraw/zinc/07/73/06/570077306.db2.gz ZQYQUWQCESTEPU-XCZPVHLTSA-N 1 0 491.075 6.363 50 0 JKAARO CC(=O)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@H](OC(=O)CC[N@@H+]5CCCC(C)(C)C5)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000252441164 570080498 /nfs/dbraw/zinc/08/04/98/570080498.db2.gz IQWDZXKZGAIZNS-MBNJRBNZSA-N 1 0 483.737 6.578 50 0 JKAARO C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](OC(=O)CC[N@@H+]5CCCC(C)(C)C5)CC[C@@]43C)[C@H]1CCC2=O ZINC000252441510 570080581 /nfs/dbraw/zinc/08/05/81/570080581.db2.gz ZRQKIWOCYULNCN-VRUJONNPSA-N 1 0 455.683 5.942 50 0 biogenic JKAARO O=C1N[C@@](Cc2ccccc2)(c2ccccc2)C(=O)N1CN1CCc2sccc2[C@H]1c1cccs1 ZINC000252444510 570080773 /nfs/dbraw/zinc/08/07/73/570080773.db2.gz PHMQXRAVPWYVOC-LSYYVWMOSA-N 1 0 499.661 5.405 50 0 JKAARO Cc1c2cc3c(cc2oc(=O)c1CC(=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)occ3-c1ccccc1 ZINC000253405376 570097112 /nfs/dbraw/zinc/09/71/12/570097112.db2.gz IGMAHMQNOPKFJD-HFZDXXHNSA-N 1 0 484.596 5.438 50 0 biogenic JKAARO C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@H](OC(=O)CC[N@@H+]5CCCC(C)(C)C5)CC[C@@]43C)[C@H]1CCC2=O ZINC000253501821 570102510 /nfs/dbraw/zinc/10/25/10/570102510.db2.gz ZRQKIWOCYULNCN-BAHFMZLTSA-N 1 0 455.683 5.942 50 0 JKAARO CC(=O)[C@@H]1[C@H](C)C[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)CC[NH+]5C[C@@H](C)C[C@H](C)C5)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000253505766 570102692 /nfs/dbraw/zinc/10/26/92/570102692.db2.gz LLKWFOGYGSHBRH-XHTVOHNLSA-N 1 0 497.764 6.680 50 0 biogenic JKAARO CC(=O)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@H](OC(=O)CC[N@@H+]5CCCC(C)(C)C5)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000253612734 570104858 /nfs/dbraw/zinc/10/48/58/570104858.db2.gz IQWDZXKZGAIZNS-STZFGXNFSA-N 1 0 483.737 6.578 50 0 JKAARO O=C(NN1CCC([NH+]2CCCC2)CC1)c1ccc(Nc2nccc(-c3cc4ccccc4s3)n2)cc1 ZINC000263617277 570173158 /nfs/dbraw/zinc/17/31/58/570173158.db2.gz NAWSWOOBHGFUTJ-UHFFFAOYSA-N 1 0 498.656 5.307 50 0 JKAARO CC(C)C[NH+]1CCC(O)(c2ccc3oc(C(=O)N(C)Cc4cccc5cccnc54)cc3c2)CC1 ZINC000299758548 570174407 /nfs/dbraw/zinc/17/44/07/570174407.db2.gz KESPHERZVJKOBI-UHFFFAOYSA-N 1 0 471.601 5.193 50 0 JKAARO Cc1ccsc1C(=O)N(CC[NH+](C)C)Cc1cc2ccc(F)cc2nc1-c1ccccc1C ZINC000299765344 570175201 /nfs/dbraw/zinc/17/52/01/570175201.db2.gz FVSSEEIBEGMNLU-UHFFFAOYSA-N 1 0 461.606 5.923 50 0 JKAARO CSc1ccc2cc(C[NH2+]CCc3nc4ccccc4[nH]3)c(=O)n(Cc3ccccc3Cl)c2c1 ZINC000299785092 570176621 /nfs/dbraw/zinc/17/66/21/570176621.db2.gz JLLTWVUGQDMEHI-UHFFFAOYSA-N 1 0 489.044 5.634 50 0 JKAARO CCS(=O)(=O)Nc1cccc(N2CCC([NH2+]CCC(c3ccccc3)c3ccccc3)CC2)c1 ZINC000299799341 570177301 /nfs/dbraw/zinc/17/73/01/570177301.db2.gz RAWDAQMXEYKPOQ-UHFFFAOYSA-N 1 0 477.674 5.229 50 0 JKAARO COc1ccc(-c2nc3cc(SC)ccc3cc2C[NH2+]C[C@@H]2COc3ccccc3O2)cc1 ZINC000299797135 570177388 /nfs/dbraw/zinc/17/73/88/570177388.db2.gz RNEOIVBURVULBS-JOCHJYFZSA-N 1 0 458.583 5.562 50 0 JKAARO