smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(CCCC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000490570756 1068002821 /nfs/dbraw/zinc/00/28/21/1068002821.db2.gz WPMAWOFEVRTPPW-UHFFFAOYSA-N 1 3 490.649 -0.310 20 0 JBADHO C[NH+](C)CCn1c2cc(NC(=O)C(=O)N3CCN(C(=O)CN4CCCC4)CC3)ccc2oc1=O ZINC000503610857 1067772778 /nfs/dbraw/zinc/77/27/78/1067772778.db2.gz OGMYGHAVGTUUDN-UHFFFAOYSA-N 1 3 472.546 -0.139 20 0 JBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CCN(C(=O)C[NH+](CC)CC)CC2)CC1 ZINC000508234923 1067911294 /nfs/dbraw/zinc/91/12/94/1067911294.db2.gz INSFSMHDRGTYPB-UHFFFAOYSA-N 1 3 452.600 -0.988 20 0 JBADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCN(C(=O)C(=O)N4CCOCC4)CC3)CC2)CC1 ZINC000514467115 1067800298 /nfs/dbraw/zinc/80/02/98/1067800298.db2.gz NWGFKNRJKTYORC-UHFFFAOYSA-N 1 3 450.584 -0.742 20 0 JBADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCN(S(=O)(=O)N4CCOCC4)CC3)CC2)CC1 ZINC000522114621 1067924939 /nfs/dbraw/zinc/92/49/39/1067924939.db2.gz WEOVOTWWTRMILM-UHFFFAOYSA-N 1 3 458.629 -0.551 20 0 JBADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCN(S(=O)(=O)c4ccc(C(N)=O)o4)CC3)CC2)CC1 ZINC000522692207 1067930000 /nfs/dbraw/zinc/93/00/00/1067930000.db2.gz LEGYKVXGTOQMLL-UHFFFAOYSA-N 1 3 482.607 -0.047 20 0 JBADHO CN1CCN(S(=O)(=O)N2CCN(C(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)CC2)CC1 ZINC000523309102 1067936285 /nfs/dbraw/zinc/93/62/85/1067936285.db2.gz LUVSLRRGNJQWCU-UHFFFAOYSA-N 1 3 471.672 -0.636 20 0 JBADHO C[C@@H](CCC(=O)N1CCN(C(=O)CN(C)C)CC1)CC(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000591799667 1068035450 /nfs/dbraw/zinc/03/54/50/1068035450.db2.gz YMUQBLBUCZJXGN-IBGZPJMESA-N 1 3 466.627 -0.742 20 0 JBADHO C[C@@H](CCC(=O)N1CCN(C(=O)C[NH+](C)C)CC1)CC(=O)N1CCN(C(=O)CN(C)C)CC1 ZINC000591799667 1068035437 /nfs/dbraw/zinc/03/54/37/1068035437.db2.gz YMUQBLBUCZJXGN-IBGZPJMESA-N 1 3 466.627 -0.742 20 0 JBADHO C[C@H](CCC(=O)N1CCN(C(=O)CN(C)C)CC1)CC(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000591799668 1068035129 /nfs/dbraw/zinc/03/51/29/1068035129.db2.gz YMUQBLBUCZJXGN-LJQANCHMSA-N 1 3 466.627 -0.742 20 0 JBADHO C[C@H](CCC(=O)N1CCN(C(=O)C[NH+](C)C)CC1)CC(=O)N1CCN(C(=O)CN(C)C)CC1 ZINC000591799668 1068035121 /nfs/dbraw/zinc/03/51/21/1068035121.db2.gz YMUQBLBUCZJXGN-LJQANCHMSA-N 1 3 466.627 -0.742 20 0 JBADHO CN(C)CC(=O)N1CCN(C(=O)[C@H]2CCC[C@@H](C(=O)N3CCN(C(=O)C[NH+](C)C)CC3)C2)CC1 ZINC000620774141 1068342927 /nfs/dbraw/zinc/34/29/27/1068342927.db2.gz GWSBVPFGHJDUNV-BGYRXZFFSA-N 1 3 478.638 -0.742 20 0 JBADHO CN(C)CC(=O)N1CCN(C(=O)[C@@H]2CCC[C@H](C(=O)N3CCN(C(=O)C[NH+](C)C)CC3)C2)CC1 ZINC000620774141 1068342922 /nfs/dbraw/zinc/34/29/22/1068342922.db2.gz GWSBVPFGHJDUNV-BGYRXZFFSA-N 1 3 478.638 -0.742 20 0 JBADHO Cc1cn(CC(=O)N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)N(C)C)CC[C@@H]2[NH3+])c(=O)[nH]c1=O ZINC001142322703 1069224056 /nfs/dbraw/zinc/22/40/56/1069224056.db2.gz WJXXUDLPHORMLC-DQWLROJASA-N 1 3 455.556 -0.447 20 0 JBADHO Cc1cn(CC(=O)N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)N(C)C)CC[C@@H]2[NH3+])c(=O)[nH]c1=O ZINC001142322704 1069224162 /nfs/dbraw/zinc/22/41/62/1069224162.db2.gz WJXXUDLPHORMLC-DUUCEYBISA-N 1 3 455.556 -0.447 20 0 JBADHO Cc1cn(CC(=O)N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)N(C)C)CC[C@@H]2[NH3+])c(=O)[nH]c1=O ZINC001142322705 1069223867 /nfs/dbraw/zinc/22/38/67/1069223867.db2.gz WJXXUDLPHORMLC-KBVRGVHISA-N 1 3 455.556 -0.447 20 0 JBADHO Cc1cn(CC(=O)N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)N(C)C)CC[C@@H]2[NH3+])c(=O)[nH]c1=O ZINC001142322706 1069223969 /nfs/dbraw/zinc/22/39/69/1069223969.db2.gz WJXXUDLPHORMLC-RNULLNAKSA-N 1 3 455.556 -0.447 20 0 JBADHO COC(=O)[C@H](CCC(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)N(C)C)CC[C@@H]1[NH3+])NC(C)=O ZINC001144964872 1068593145 /nfs/dbraw/zinc/59/31/45/1068593145.db2.gz ZLLYSADZIPTYNR-GAKQYBQZSA-N 1 3 474.599 -0.260 20 0 JBADHO COC(=O)[C@H](CCC(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)N(C)C)CC[C@@H]1[NH3+])NC(C)=O ZINC001144964873 1068593284 /nfs/dbraw/zinc/59/32/84/1068593284.db2.gz ZLLYSADZIPTYNR-MNIZTNQSSA-N 1 3 474.599 -0.260 20 0 JBADHO COC(=O)[C@H](CCC(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)N(C)C)CC[C@@H]1[NH3+])NC(C)=O ZINC001144964874 1068593312 /nfs/dbraw/zinc/59/33/12/1068593312.db2.gz ZLLYSADZIPTYNR-ODGNUVPMSA-N 1 3 474.599 -0.260 20 0 JBADHO COC(=O)[C@H](CCC(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)N(C)C)CC[C@@H]1[NH3+])NC(C)=O ZINC001144964875 1068593039 /nfs/dbraw/zinc/59/30/39/1068593039.db2.gz ZLLYSADZIPTYNR-TWTKXFDXSA-N 1 3 474.599 -0.260 20 0 JBADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2cc3n(n2)CCNC3=O)[C@H](O)OC(C)(C)C)C1 ZINC001147551250 1068619308 /nfs/dbraw/zinc/61/93/08/1068619308.db2.gz QXVXPRXTAUKERW-DBFNXHSOSA-N 1 3 452.556 -0.464 20 0 JBADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2cc3n(n2)CCNC3=O)[C@H](O)OC(C)(C)C)C1 ZINC001147551251 1068619382 /nfs/dbraw/zinc/61/93/82/1068619382.db2.gz QXVXPRXTAUKERW-KORAHWDHSA-N 1 3 452.556 -0.464 20 0 JBADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2cc3n(n2)CCNC3=O)[C@@H](O)OC(C)(C)C)C1 ZINC001147551252 1068619342 /nfs/dbraw/zinc/61/93/42/1068619342.db2.gz QXVXPRXTAUKERW-OYRXCQIOSA-N 1 3 452.556 -0.464 20 0 JBADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2cc3n(n2)CCNC3=O)[C@@H](O)OC(C)(C)C)C1 ZINC001147551253 1068619198 /nfs/dbraw/zinc/61/91/98/1068619198.db2.gz QXVXPRXTAUKERW-TUIYHMDZSA-N 1 3 452.556 -0.464 20 0 JBADHO C[C@@H]1O[C@@H](OCCNC(=O)[C@]23CN(Cc4ccccc4)C[C@H]2C[NH2+]CCC3)[C@@H](O)[C@H](O)[C@@H]1O ZINC001157422459 1069296731 /nfs/dbraw/zinc/29/67/31/1069296731.db2.gz GEVYZNSTWGHQFG-OUXAWTNZSA-N 1 3 463.575 -0.552 20 0 JBADHO CCOC(=O)CC1([NH3+])CCN(C(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)CF)CC1 ZINC001157448939 1069297230 /nfs/dbraw/zinc/29/72/30/1069297230.db2.gz PSKFZDYXGDXEJD-DOXZYTNZSA-N 1 3 487.573 -0.839 20 0 JBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158077366 1069301629 /nfs/dbraw/zinc/30/16/29/1069301629.db2.gz ULPGADDGMKPINX-FPOVZHCZSA-N 1 3 459.591 -0.206 20 0 JBADHO CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158119369 1069302451 /nfs/dbraw/zinc/30/24/51/1069302451.db2.gz GNYBUSQSDWXACL-HOYKHHGWSA-N 1 3 452.559 -0.129 20 0 JBADHO CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158119370 1069303300 /nfs/dbraw/zinc/30/33/00/1069303300.db2.gz GNYBUSQSDWXACL-KOSHJBKYSA-N 1 3 452.559 -0.129 20 0 JBADHO CC(C)C[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158122182 1069303611 /nfs/dbraw/zinc/30/36/11/1069303611.db2.gz ZYPXOOQSPQJVNI-AXHZCLLHSA-N 1 3 457.575 -0.269 20 0 JBADHO CC(C)C[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158122183 1069303815 /nfs/dbraw/zinc/30/38/15/1069303815.db2.gz ZYPXOOQSPQJVNI-JXQFQVJHSA-N 1 3 457.575 -0.269 20 0 JBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158276837 1069304505 /nfs/dbraw/zinc/30/45/05/1069304505.db2.gz DYBMJEXKCPCFAT-UGKGYDQZSA-N 1 3 496.616 -0.474 20 0 JBADHO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158277926 1069304945 /nfs/dbraw/zinc/30/49/45/1069304945.db2.gz XNRVFEGCOCUEGR-BZSNNMDCSA-N 1 3 474.610 -0.432 20 0 JBADHO N[C@@H](C(=O)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1)C1CC[NH2+]CC1 ZINC001158351707 1069305714 /nfs/dbraw/zinc/30/57/14/1069305714.db2.gz CMNDCDHXXOBFGK-ROKPMTFOSA-N 1 3 471.606 -0.293 20 0 JBADHO N[C@H](C(=O)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1)C1CC[NH2+]CC1 ZINC001158351708 1069305567 /nfs/dbraw/zinc/30/55/67/1069305567.db2.gz CMNDCDHXXOBFGK-SKPFHBQLSA-N 1 3 471.606 -0.293 20 0 JBADHO O=C(N1CCOCC1)[C@@]12CN(c3ncccn3)C[C@@H]1CN(C(=O)[C@]13C[NH2+]C[C@H]1CNCC3)CCC2 ZINC001158351836 1069305428 /nfs/dbraw/zinc/30/54/28/1069305428.db2.gz DGISDAGZSGGYMY-GRADPPADSA-N 1 3 483.617 -0.421 20 0 JBADHO N[C@@H](CSCC[NH3+])C(=O)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 ZINC001158352049 1069306032 /nfs/dbraw/zinc/30/60/32/1069306032.db2.gz IFLONVPDDGRERZ-SPEDKVCISA-N 1 3 477.635 -0.600 20 0 JBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 ZINC001158352630 1069306955 /nfs/dbraw/zinc/30/69/55/1069306955.db2.gz SGJCVXJKOHEHPR-YDHSSHFGSA-N 1 3 459.595 -0.163 20 0 JBADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 ZINC001158352671 1069307687 /nfs/dbraw/zinc/30/76/87/1069307687.db2.gz UOQNGYQRBYGVHX-GLDPYIMESA-N 1 3 469.590 -0.811 20 0 JBADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 ZINC001158352672 1069307514 /nfs/dbraw/zinc/30/75/14/1069307514.db2.gz UOQNGYQRBYGVHX-JXQFQVJHSA-N 1 3 469.590 -0.811 20 0 JBADHO CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@@H]1COC(C)(C)N1C(=O)[C@H](C)N)C2 ZINC001158383314 1069308561 /nfs/dbraw/zinc/30/85/61/1069308561.db2.gz OKEHWZOHUXJRAP-BMEPFDOTSA-N 1 3 450.458 -0.159 20 0 JBADHO CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@@H]1COC(C)(C)N1C(=O)[C@H](C)N)C2 ZINC001158383315 1069308701 /nfs/dbraw/zinc/30/87/01/1069308701.db2.gz OKEHWZOHUXJRAP-GNTOHDJUSA-N 1 3 450.458 -0.159 20 0 JBADHO CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@@H]1COC(C)(C)N1C(=O)[C@H](C)N)C2 ZINC001158383316 1069308804 /nfs/dbraw/zinc/30/88/04/1069308804.db2.gz OKEHWZOHUXJRAP-UQLKUDODSA-N 1 3 450.458 -0.159 20 0 JBADHO CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@@H]1COC(C)(C)N1C(=O)[C@H](C)N)C2 ZINC001158383318 1069308758 /nfs/dbraw/zinc/30/87/58/1069308758.db2.gz OKEHWZOHUXJRAP-YDOWWZDFSA-N 1 3 450.458 -0.159 20 0 JBADHO CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@@H](N)CCCNC(=O)c1cnccn1)C2 ZINC001158384242 1069308594 /nfs/dbraw/zinc/30/85/94/1069308594.db2.gz RBJXYHUKLLSZPL-AGRHKRQWSA-N 1 3 472.468 -0.143 20 0 JBADHO CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@@H](N)CCCNC(=O)c1cnccn1)C2 ZINC001158384243 1069308914 /nfs/dbraw/zinc/30/89/14/1069308914.db2.gz RBJXYHUKLLSZPL-BKTGTZMESA-N 1 3 472.468 -0.143 20 0 JBADHO CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@@H](N)CCCNC(=O)c1cnccn1)C2 ZINC001158384244 1069308881 /nfs/dbraw/zinc/30/88/81/1069308881.db2.gz RBJXYHUKLLSZPL-FASAQXTFSA-N 1 3 472.468 -0.143 20 0 JBADHO CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@@H](N)CCCNC(=O)c1cnccn1)C2 ZINC001158384245 1069308676 /nfs/dbraw/zinc/30/86/76/1069308676.db2.gz RBJXYHUKLLSZPL-MJXNMMHHSA-N 1 3 472.468 -0.143 20 0 JBADHO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(=O)CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)C2 ZINC001158479658 1069309360 /nfs/dbraw/zinc/30/93/60/1069309360.db2.gz OSYABKOVXGYELA-CJKQYIFKSA-N 1 3 451.568 -0.745 20 0 JBADHO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N ZINC001158498655 1069309302 /nfs/dbraw/zinc/30/93/02/1069309302.db2.gz RTGWYHURVQTOCY-KOUJMVCDSA-N 1 3 465.595 -0.393 20 0 JBADHO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](N)C(C)C ZINC001158507278 1069309775 /nfs/dbraw/zinc/30/97/75/1069309775.db2.gz XAFPPKZEVPMEMF-UERWRGBPSA-N 1 3 487.601 -0.435 20 0 JBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158547354 1069309925 /nfs/dbraw/zinc/30/99/25/1069309925.db2.gz OCHJETYZCUCZGK-XLJWXPPYSA-N 1 3 471.602 -0.207 20 0 JBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158547356 1069309751 /nfs/dbraw/zinc/30/97/51/1069309751.db2.gz OCHJETYZCUCZGK-XQPKCKMASA-N 1 3 471.602 -0.207 20 0 JBADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1C[C@H](C2([NH3+])CC2)[C@H](CF)C1)C(=O)CF ZINC001158580069 1069309996 /nfs/dbraw/zinc/30/99/96/1069309996.db2.gz ZWFZCKSEWVARCB-DTFBLWLJSA-N 1 3 459.538 -0.577 20 0 JBADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1C[C@H](CF)[C@H](C2([NH3+])CC2)C1)C(=O)CF ZINC001158580077 1069310077 /nfs/dbraw/zinc/31/00/77/1069310077.db2.gz ZWFZCKSEWVARCB-GLRLOKQVSA-N 1 3 459.538 -0.577 20 0 JBADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1C[C@@H](CF)[C@H](C2([NH3+])CC2)C1)C(=O)CF ZINC001158580079 1069309813 /nfs/dbraw/zinc/30/98/13/1069309813.db2.gz ZWFZCKSEWVARCB-KIBLCYBISA-N 1 3 459.538 -0.577 20 0 JBADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1C[C@H](CF)[C@@H](C2([NH3+])CC2)C1)C(=O)CF ZINC001158580080 1069310050 /nfs/dbraw/zinc/31/00/50/1069310050.db2.gz ZWFZCKSEWVARCB-PQKJENKHSA-N 1 3 459.538 -0.577 20 0 JBADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N(Cc1cccnc1)c1ccc2nc(C3CC[NH2+]CC3)nn2c1 ZINC001158602506 1069310426 /nfs/dbraw/zinc/31/04/26/1069310426.db2.gz NLQOLXIGHYNBGC-KXBFYZLASA-N 1 3 493.572 -0.168 20 0 JBADHO C[NH+](C)CCCC[C@H](N)C(=O)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158680369 1069312628 /nfs/dbraw/zinc/31/26/28/1069312628.db2.gz FBYUDWGGAGZVCC-OKZBNKHCSA-N 1 3 466.608 -0.405 20 0 JBADHO CC(C)(C)OC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N(Cc1noc2c1C[NH2+]CC2)S(C)(=O)=O ZINC001158734567 1069316387 /nfs/dbraw/zinc/31/63/87/1069316387.db2.gz CUCQLGPLFJQNTO-HOCLYGCPSA-N 1 3 471.580 -0.258 20 0 JBADHO CS(=O)(=O)N(Cc1noc2c1CNCC2)C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001158735130 1069316257 /nfs/dbraw/zinc/31/62/57/1069316257.db2.gz ONOSMVTXLPYSOI-HOCLYGCPSA-N 1 3 456.569 -0.944 20 0 JBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1C[C@@H]2COC[C@H](C(=O)N3CCCCO3)[C@@H]2C1 ZINC001158747624 1069316649 /nfs/dbraw/zinc/31/66/49/1069316649.db2.gz DWSKMBJQXPWRLJ-SLHNCBLASA-N 1 3 465.595 -0.291 20 0 JBADHO CN(C)C(=O)COCc1noc2c1CN(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+])CC2 ZINC001158748330 1069316781 /nfs/dbraw/zinc/31/67/81/1069316781.db2.gz WFZUOPVJCYHNLO-WMZOPIPTSA-N 1 3 464.567 -0.389 20 0 JBADHO CNC(=O)CO[C@@H]1COC2(C1)CCN(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+])CC2 ZINC001158811576 1069317241 /nfs/dbraw/zinc/31/72/41/1069317241.db2.gz XGCWVKWVDDEUAY-BZSNNMDCSA-N 1 3 453.584 -0.654 20 0 JBADHO CNC(=O)CO[C@H]1COC2(C1)CCN(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+])CC2 ZINC001158811577 1069317483 /nfs/dbraw/zinc/31/74/83/1069317483.db2.gz XGCWVKWVDDEUAY-SQNIBIBYSA-N 1 3 453.584 -0.654 20 0 JBADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N([C@@H]1CCC12CC[NH2+]CC2)S(=O)(=O)c1ccccc1 ZINC001158832499 1069318463 /nfs/dbraw/zinc/31/84/63/1069318463.db2.gz IIROAFOKSVBSER-BHYGNILZSA-N 1 3 465.576 -0.557 20 0 JBADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N([C@H]1CCC12CC[NH2+]CC2)S(=O)(=O)c1ccccc1 ZINC001158832500 1069318569 /nfs/dbraw/zinc/31/85/69/1069318569.db2.gz IIROAFOKSVBSER-XIRDDKMYSA-N 1 3 465.576 -0.557 20 0 JBADHO C[C@H](N)C(=O)N[C@H](CCC(=O)N([C@@H]1CCC12CC[NH2+]CC2)S(=O)(=O)c1ccccc1)C(N)=O ZINC001158833869 1069318740 /nfs/dbraw/zinc/31/87/40/1069318740.db2.gz OHBCVHTWCXAGIH-CGTJXYLNSA-N 1 3 479.603 -0.166 20 0 JBADHO C[C@H](N)C(=O)N[C@H](CCC(=O)N([C@H]1CCC12CC[NH2+]CC2)S(=O)(=O)c1ccccc1)C(N)=O ZINC001158833872 1069318625 /nfs/dbraw/zinc/31/86/25/1069318625.db2.gz OHBCVHTWCXAGIH-JQHSSLGASA-N 1 3 479.603 -0.166 20 0 JBADHO CC(C)N(C(=O)[C@@H]1CCS(=O)(=O)C12CNC2)c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2 ZINC001158872106 1069319477 /nfs/dbraw/zinc/31/94/77/1069319477.db2.gz YYQAHAMDUKMLNN-KRWDZBQOSA-N 1 3 478.619 -0.481 20 0 JBADHO CC(C)N(C(=O)[C@H]1CCS(=O)(=O)C12CNC2)c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2 ZINC001158872107 1069319233 /nfs/dbraw/zinc/31/92/33/1069319233.db2.gz YYQAHAMDUKMLNN-QGZVFWFLSA-N 1 3 478.619 -0.481 20 0 JBADHO C[C@H]1N(c2cnn(C)c2)C(=O)COC12CCN(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+])CC2 ZINC001158885049 1069319852 /nfs/dbraw/zinc/31/98/52/1069319852.db2.gz RRAKJRZMFVWQKW-HOJAQTOUSA-N 1 3 489.621 -0.020 20 0 JBADHO C[C@@H]1N(c2cnn(C)c2)C(=O)COC12CCN(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+])CC2 ZINC001158885052 1069320141 /nfs/dbraw/zinc/32/01/41/1069320141.db2.gz RRAKJRZMFVWQKW-IHPCNDPISA-N 1 3 489.621 -0.020 20 0 JBADHO CNC(=O)CN1CCCC12CCN(C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC[NH2+]1)CC2 ZINC001158890645 1069319993 /nfs/dbraw/zinc/31/99/93/1069319993.db2.gz JNNOTCPYBPMRRU-OALUTQOASA-N 1 3 478.638 -0.412 20 0 JBADHO COCCNC(=O)[C@H]1Cn2nccc2CN(C(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])C1 ZINC001158991365 1069324894 /nfs/dbraw/zinc/32/48/94/1069324894.db2.gz MFEWKEPIUHYLRD-NEWSRXKRSA-N 1 3 463.583 -0.949 20 0 JBADHO COCCNC(=O)[C@@H]1Cn2nccc2CN(C(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])C1 ZINC001158991367 1069324700 /nfs/dbraw/zinc/32/47/00/1069324700.db2.gz MFEWKEPIUHYLRD-WDSOQIARSA-N 1 3 463.583 -0.949 20 0 JBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1C[C@@H]2COC[C@H](C(=O)Nc3cnccn3)[C@@H]2C1 ZINC001159071942 1069326059 /nfs/dbraw/zinc/32/60/59/1069326059.db2.gz LXSURVZTCKPGAU-GFEQUFNTSA-N 1 3 473.578 -0.417 20 0 JBADHO Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+])CC2 ZINC001159075393 1069327037 /nfs/dbraw/zinc/32/70/37/1069327037.db2.gz OMBLSPJHVROVBG-OALUTQOASA-N 1 3 488.637 -0.860 20 0 JBADHO COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001159077622 1069327518 /nfs/dbraw/zinc/32/75/18/1069327518.db2.gz RRYIBCBTKOHZBQ-GKAYAJSDSA-N 1 3 467.611 -0.311 20 0 JBADHO COC(=O)[C@@]1(C)C[C@@H](N2CCOCC2)CCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001159077624 1069327876 /nfs/dbraw/zinc/32/78/76/1069327876.db2.gz RRYIBCBTKOHZBQ-KEXUJGGDSA-N 1 3 467.611 -0.311 20 0 JBADHO COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001159077627 1069328219 /nfs/dbraw/zinc/32/82/19/1069328219.db2.gz RRYIBCBTKOHZBQ-KGYLXKDPSA-N 1 3 467.611 -0.311 20 0 JBADHO COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001159077629 1069327743 /nfs/dbraw/zinc/32/77/43/1069327743.db2.gz RRYIBCBTKOHZBQ-XQQXVUDOSA-N 1 3 467.611 -0.311 20 0 JBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCO[C@H]2[C@H](OCC(=O)N3CCCC3)CC[C@@H]21 ZINC001159091555 1069328730 /nfs/dbraw/zinc/32/87/30/1069328730.db2.gz QRXAXALQTWNNJD-YIUJWAEMSA-N 1 3 479.622 -0.169 20 0 JBADHO CC(C)n1nc(CN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)c2nccs2)c2c1C[NH2+]CC2 ZINC001159109431 1069328403 /nfs/dbraw/zinc/32/84/03/1069328403.db2.gz VRMATSVKJVVDTK-JSGCOSHPSA-N 1 3 462.580 -0.193 20 0 JBADHO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)CC2 ZINC001159116552 1069329556 /nfs/dbraw/zinc/32/95/56/1069329556.db2.gz PBTFBEISKKGJET-UHOSZYNNSA-N 1 3 460.579 -0.382 20 0 JBADHO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)CC2 ZINC001159116552 1069329543 /nfs/dbraw/zinc/32/95/43/1069329543.db2.gz PBTFBEISKKGJET-UHOSZYNNSA-N 1 3 460.579 -0.382 20 0 JBADHO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)CC2 ZINC001159116554 1069329063 /nfs/dbraw/zinc/32/90/63/1069329063.db2.gz PBTFBEISKKGJET-WDSOQIARSA-N 1 3 460.579 -0.382 20 0 JBADHO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)CC2 ZINC001159116554 1069329045 /nfs/dbraw/zinc/32/90/45/1069329045.db2.gz PBTFBEISKKGJET-WDSOQIARSA-N 1 3 460.579 -0.382 20 0 JBADHO Cn1nnc2c1CCN(C(=O)[C@@H](N)CCCNC(=O)c1cnccn1)[C@@H]2COCC[NH+]1CCCC1 ZINC001159118127 1069329172 /nfs/dbraw/zinc/32/91/72/1069329172.db2.gz XQBXCZHVLCRBHS-FXAWDEMLSA-N 1 3 485.593 -0.319 20 0 JBADHO Cn1nnc2c1CCN(C(=O)[C@@H](N)CCCNC(=O)c1cnccn1)[C@H]2COCC[NH+]1CCCC1 ZINC001159118143 1069329263 /nfs/dbraw/zinc/32/92/63/1069329263.db2.gz XQBXCZHVLCRBHS-PXNSSMCTSA-N 1 3 485.593 -0.319 20 0 JBADHO Cn1nnc2c1CCN(C(=O)[C@@H]1CCS(=O)(=O)C13CNC3)[C@@H]2COCC[NH+]1CCCC1 ZINC001159124680 1069330088 /nfs/dbraw/zinc/33/00/88/1069330088.db2.gz PRJJPBSEBKBIEF-DOTOQJQBSA-N 1 3 452.581 -0.870 20 0 JBADHO Cn1nnc2c1CCN(C(=O)[C@H]1CCS(=O)(=O)C13CNC3)[C@@H]2COCC[NH+]1CCCC1 ZINC001159124681 1069330452 /nfs/dbraw/zinc/33/04/52/1069330452.db2.gz PRJJPBSEBKBIEF-NVXWUHKLSA-N 1 3 452.581 -0.870 20 0 JBADHO Cn1nnc2c1CCN(C(=O)[C@@H]1CCS(=O)(=O)C13CNC3)[C@H]2COCC[NH+]1CCCC1 ZINC001159124682 1069330578 /nfs/dbraw/zinc/33/05/78/1069330578.db2.gz PRJJPBSEBKBIEF-RDJZCZTQSA-N 1 3 452.581 -0.870 20 0 JBADHO Cn1nnc2c1CCN(C(=O)[C@H]1CCS(=O)(=O)C13CNC3)[C@H]2COCC[NH+]1CCCC1 ZINC001159124683 1069330252 /nfs/dbraw/zinc/33/02/52/1069330252.db2.gz PRJJPBSEBKBIEF-WBVHZDCISA-N 1 3 452.581 -0.870 20 0 JBADHO C[C@H](N)C(=O)N1[C@H](C(=O)N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)COC1(C)C ZINC001159125694 1069331236 /nfs/dbraw/zinc/33/12/36/1069331236.db2.gz YBWRDQAFRWHSGK-JQHSSLGASA-N 1 3 463.583 -0.336 20 0 JBADHO C[C@H](N)C(=O)N1[C@H](C(=O)N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)COC1(C)C ZINC001159125695 1069331450 /nfs/dbraw/zinc/33/14/50/1069331450.db2.gz YBWRDQAFRWHSGK-SZMVWBNQSA-N 1 3 463.583 -0.336 20 0 JBADHO CNC(=O)CN1CCOC[C@]2(CCCN(C(=O)[C@@H]3CCCN3C(=O)[C@@H](N)CCCC[NH3+])C2)C1 ZINC001159128430 1069331035 /nfs/dbraw/zinc/33/10/35/1069331035.db2.gz ZQQVEYQDFYMTFY-SFYKDHMMSA-N 1 3 466.627 -0.879 20 0 JBADHO CNC(=O)CN1CCOC[C@@]2(CCCN(C(=O)[C@@H]3CCCN3C(=O)[C@@H](N)CCCC[NH3+])C2)C1 ZINC001159128431 1069331651 /nfs/dbraw/zinc/33/16/51/1069331651.db2.gz ZQQVEYQDFYMTFY-YDHSSHFGSA-N 1 3 466.627 -0.879 20 0 JBADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1Cc2nccn2C[C@@H](C[NH+](C)C)C1)C(=O)CF ZINC001159135700 1069332058 /nfs/dbraw/zinc/33/20/58/1069332058.db2.gz XUOOJFUPILGCLT-DLRJPAPCSA-N 1 3 495.600 -0.695 20 0 JBADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1Cc2nccn2C[C@H](C[NH+](C)C)C1)C(=O)CF ZINC001159135701 1069332267 /nfs/dbraw/zinc/33/22/67/1069332267.db2.gz XUOOJFUPILGCLT-IAGYGMIVSA-N 1 3 495.600 -0.695 20 0 JBADHO CN(C)C(=O)COC[C@H]1CC[C@@H]2[C@@H](CCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])O1 ZINC001159136309 1069332339 /nfs/dbraw/zinc/33/23/39/1069332339.db2.gz SYMPTPWMSKFUMZ-UJMXGEILSA-N 1 3 467.611 -0.313 20 0 JBADHO C[C@H](N)C(=O)N[C@H](CCC(=O)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1)C(N)=O ZINC001159165888 1069332451 /nfs/dbraw/zinc/33/24/51/1069332451.db2.gz FFMYPHDYIAGJFL-YYTXDEJISA-N 1 3 460.583 -0.923 20 0 JBADHO C[C@H](N)C(=O)N[C@H](CCC(=O)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1)C(N)=O ZINC001159165888 1069332436 /nfs/dbraw/zinc/33/24/36/1069332436.db2.gz FFMYPHDYIAGJFL-YYTXDEJISA-N 1 3 460.583 -0.923 20 0 JBADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001159181182 1069333419 /nfs/dbraw/zinc/33/34/19/1069333419.db2.gz JQNJFPFGWPCXMD-DFSVQXFESA-N 1 3 486.617 -0.134 20 0 JBADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001159181182 1069333400 /nfs/dbraw/zinc/33/34/00/1069333400.db2.gz JQNJFPFGWPCXMD-DFSVQXFESA-N 1 3 486.617 -0.134 20 0 JBADHO CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@@H]2CCC4(CCNCC4)[NH2+]2)CC3)C1=O ZINC001159183180 1069334710 /nfs/dbraw/zinc/33/47/10/1069334710.db2.gz ZPXHNKGQXOBWGP-HTAPYJJXSA-N 1 3 467.636 -0.407 20 0 JBADHO CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@@H]2CCC4(CC[NH2+]CC4)N2)CC3)C1=O ZINC001159183180 1069334693 /nfs/dbraw/zinc/33/46/93/1069334693.db2.gz ZPXHNKGQXOBWGP-HTAPYJJXSA-N 1 3 467.636 -0.407 20 0 JBADHO CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@@H]2CCC4(CCNCC4)[NH2+]2)CC3)C1=O ZINC001159183182 1069334943 /nfs/dbraw/zinc/33/49/43/1069334943.db2.gz ZPXHNKGQXOBWGP-JTSKRJEESA-N 1 3 467.636 -0.407 20 0 JBADHO CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@@H]2CCC4(CC[NH2+]CC4)N2)CC3)C1=O ZINC001159183182 1069334933 /nfs/dbraw/zinc/33/49/33/1069334933.db2.gz ZPXHNKGQXOBWGP-JTSKRJEESA-N 1 3 467.636 -0.407 20 0 JBADHO CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@H]2CCC4(CCNCC4)[NH2+]2)CC3)C1=O ZINC001159183185 1069334990 /nfs/dbraw/zinc/33/49/90/1069334990.db2.gz ZPXHNKGQXOBWGP-VGOFRKELSA-N 1 3 467.636 -0.407 20 0 JBADHO CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@H]2CCC4(CC[NH2+]CC4)N2)CC3)C1=O ZINC001159183185 1069334978 /nfs/dbraw/zinc/33/49/78/1069334978.db2.gz ZPXHNKGQXOBWGP-VGOFRKELSA-N 1 3 467.636 -0.407 20 0 JBADHO CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@H]2CCC4(CCNCC4)[NH2+]2)CC3)C1=O ZINC001159183188 1069334903 /nfs/dbraw/zinc/33/49/03/1069334903.db2.gz ZPXHNKGQXOBWGP-VGSWGCGISA-N 1 3 467.636 -0.407 20 0 JBADHO CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@H]2CCC4(CC[NH2+]CC4)N2)CC3)C1=O ZINC001159183188 1069334895 /nfs/dbraw/zinc/33/48/95/1069334895.db2.gz ZPXHNKGQXOBWGP-VGSWGCGISA-N 1 3 467.636 -0.407 20 0 JBADHO CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@@H](N)CCCC[NH+](C)C)CC3)C1=O ZINC001159190547 1069336265 /nfs/dbraw/zinc/33/62/65/1069336265.db2.gz LBVWOIQPJMCEKB-LAUBAEHRSA-N 1 3 457.641 -0.222 20 0 JBADHO CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@@H](N)CCCC[NH+](C)C)CC3)C1=O ZINC001159190554 1069336168 /nfs/dbraw/zinc/33/61/68/1069336168.db2.gz LBVWOIQPJMCEKB-UWJYYQICSA-N 1 3 457.641 -0.222 20 0 JBADHO C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)[C@@H](N)CCCNC(=O)c1cnccn1)CC2 ZINC001159190738 1069335883 /nfs/dbraw/zinc/33/58/83/1069335883.db2.gz LPSWJWHVBUIKGV-HNNXBMFYSA-N 1 3 458.523 -0.822 20 0 JBADHO CN(C)C(=O)NC[C@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCCN3C(=O)[C@@H](N)CCCC[NH3+])C[C@@H]21 ZINC001159204511 1069338253 /nfs/dbraw/zinc/33/82/53/1069338253.db2.gz XUIXHTUKSTVPRM-VPAKFMSCSA-N 1 3 452.600 -0.432 20 0 JBADHO Cn1cccc1C(=O)N[C@H]1CN(C(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])[C@@H]2CCCO[C@@H]21 ZINC001159267311 1069339551 /nfs/dbraw/zinc/33/95/51/1069339551.db2.gz IVMFGZAEGVNPOK-GCGJSEPQSA-N 1 3 474.606 -0.039 20 0 JBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCn2c(CNC(=O)c3ccno3)cnc2C1 ZINC001159272232 1069339277 /nfs/dbraw/zinc/33/92/77/1069339277.db2.gz KVSYKDREJBCABW-IRXDYDNUSA-N 1 3 472.550 -0.409 20 0 JBADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CC2(C1)CC[N@@H+](CC1CC1)C2)C(=O)CF ZINC001159291376 1069340084 /nfs/dbraw/zinc/34/00/84/1069340084.db2.gz OCIBUSOBNWJCNG-KNBMTAEXSA-N 1 3 467.586 -0.168 20 0 JBADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CC2(C1)CC[N@H+](CC1CC1)C2)C(=O)CF ZINC001159291376 1069340065 /nfs/dbraw/zinc/34/00/65/1069340065.db2.gz OCIBUSOBNWJCNG-KNBMTAEXSA-N 1 3 467.586 -0.168 20 0 JBADHO C[C@H](N)C(=O)N1[C@H](C(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)COC1(C)C ZINC001159393263 1069341645 /nfs/dbraw/zinc/34/16/45/1069341645.db2.gz AVPPCAUHQGYUDF-OSMBCOQSSA-N 1 3 492.602 -0.872 20 0 JBADHO C[C@H](N)C(=O)N1CCC[C@H]1C(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159393354 1069341478 /nfs/dbraw/zinc/34/14/78/1069341478.db2.gz CQVFYNYVLXWVDV-OSMBCOQSSA-N 1 3 462.576 -0.844 20 0 JBADHO CC(C)C[C@H](N)C(=O)NCC(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159393620 1069342029 /nfs/dbraw/zinc/34/20/29/1069342029.db2.gz FZNJHSUTVDUXNA-YESZJQIVSA-N 1 3 464.592 -0.693 20 0 JBADHO O=C(c1cncc2c1CCNC2)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159393626 1069342352 /nfs/dbraw/zinc/34/23/52/1069342352.db2.gz GEBLUTQVLHDGKU-RBUKOAKNSA-N 1 3 454.556 -0.093 20 0 JBADHO O=C(c1ccc2c(n1)CCNC2)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159394614 1069343046 /nfs/dbraw/zinc/34/30/46/1069343046.db2.gz OYQOTXIMWBBQSF-QFBILLFUSA-N 1 3 454.556 -0.093 20 0 JBADHO NC1(C(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)CCC2(CC1)OCCO2 ZINC001159394845 1069342632 /nfs/dbraw/zinc/34/26/32/1069342632.db2.gz RSJMZOFCMAHWDQ-DLBZAZTESA-N 1 3 477.587 -0.168 20 0 JBADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159395195 1069343505 /nfs/dbraw/zinc/34/35/05/1069343505.db2.gz VCUWAMZXGRNCKC-PTOXDTDZSA-N 1 3 464.592 -0.693 20 0 JBADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159395256 1069343580 /nfs/dbraw/zinc/34/35/80/1069343580.db2.gz VRPAMFVXLKDWEX-XDKFSHSGSA-N 1 3 478.619 -0.304 20 0 JBADHO N[C@H]1CCCCN(CC(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)C1=O ZINC001159395311 1069343456 /nfs/dbraw/zinc/34/34/56/1069343456.db2.gz WTPVUZCFKTYRBL-YESZJQIVSA-N 1 3 462.576 -0.842 20 0 JBADHO CN1CCN(Cc2cn3c(n2)CN(C(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])CC3)CC1 ZINC001159416963 1069344745 /nfs/dbraw/zinc/34/47/45/1069344745.db2.gz ITQLCLVYLAXZQF-PMACEKPBSA-N 1 3 460.627 -0.580 20 0 JBADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001159457712 1069347796 /nfs/dbraw/zinc/34/77/96/1069347796.db2.gz ISNKWIATKUTOKH-AKHDSKFASA-N 1 3 458.625 -0.398 20 0 JBADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159457713 1069348631 /nfs/dbraw/zinc/34/86/31/1069348631.db2.gz ISNKWIATKUTOKH-ZSYWTGECSA-N 1 3 458.625 -0.398 20 0 JBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1Cc2ccnn2C[C@H](C(=O)N2CCCC2)C1 ZINC001159492826 1069351041 /nfs/dbraw/zinc/35/10/41/1069351041.db2.gz NWHNTPCQEVXSMA-HOJAQTOUSA-N 1 3 459.595 -0.089 20 0 JBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1Cc2ccnn2C[C@@H](C(=O)N2CCCC2)C1 ZINC001159492827 1069351351 /nfs/dbraw/zinc/35/13/51/1069351351.db2.gz NWHNTPCQEVXSMA-IHPCNDPISA-N 1 3 459.595 -0.089 20 0 JBADHO CN(C)C(=O)CN1CC[C@]2(CCCN(C(=O)[C@@H]3CCCN3C(=O)[C@@H](N)CCCC[NH3+])C2)C1=O ZINC001159493962 1069351503 /nfs/dbraw/zinc/35/15/03/1069351503.db2.gz ZFZLZAYSBHKHRO-BSRJHKFKSA-N 1 3 464.611 -0.637 20 0 JBADHO CN(C)C(=O)CN1CC[C@@]2(CCCN(C(=O)[C@@H]3CCCN3C(=O)[C@@H](N)CCCC[NH3+])C2)C1=O ZINC001159493963 1069350993 /nfs/dbraw/zinc/35/09/93/1069350993.db2.gz ZFZLZAYSBHKHRO-IUKKYPGJSA-N 1 3 464.611 -0.637 20 0 JBADHO CC(C)CNC(=O)[C@@]12CCC3(CCN(C(=O)[C@@H]4C[NH2+]CC45CNC5)CC3)[C@@H]1CN(S(C)(=O)=O)C2 ZINC001159508586 1069352644 /nfs/dbraw/zinc/35/26/44/1069352644.db2.gz YOVFQOYYFGLOEP-AXHZCLLHSA-N 1 3 495.690 -0.152 20 0 JBADHO CC(C)CNC(=O)[C@@]12CCC3(CCN(C(=O)[C@H]4C[NH2+]CC45CNC5)CC3)[C@@H]1CN(S(C)(=O)=O)C2 ZINC001159508587 1069352763 /nfs/dbraw/zinc/35/27/63/1069352763.db2.gz YOVFQOYYFGLOEP-YDIMBITNSA-N 1 3 495.690 -0.152 20 0 JBADHO N[C@@H](CSCC[NH3+])C(=O)N1C[C@H]2C[C@H]3[C@@](CN(CCc4ccccc4)S3(=O)=O)(C1)O2 ZINC001159541155 1069355849 /nfs/dbraw/zinc/35/58/49/1069355849.db2.gz RUKHAJWKOZTFTF-LXZJYRNTSA-N 1 3 454.618 -0.368 20 0 JBADHO O=C(N1C[C@H]2C[C@H]3[C@@](CN(CCc4ccccc4)S3(=O)=O)(C1)O2)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001159541182 1069356357 /nfs/dbraw/zinc/35/63/57/1069356357.db2.gz STZKQNHGEZODAE-FQVVGKCUSA-N 1 3 460.600 -0.188 20 0 JBADHO C[C@H](N)C(=O)N[C@H](CCC(=O)N1CCn2c(-c3cccnc3)cnc2C12CC[NH2+]CC2)C(N)=O ZINC001159573624 1069356516 /nfs/dbraw/zinc/35/65/16/1069356516.db2.gz BFEYSOQMRIGLGG-DOTOQJQBSA-N 1 3 468.562 -0.537 20 0 JBADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCn2c(-c3cccnc3)cnc2C12CC[NH2+]CC2 ZINC001159575270 1069356385 /nfs/dbraw/zinc/35/63/85/1069356385.db2.gz ZTRLGVFKOJWYNL-HOCLYGCPSA-N 1 3 454.535 -0.927 20 0 JBADHO O=C([C@@H]1CCC2(CCNCC2)[NH2+]1)N1C[C@H]2C[C@H]3[C@@](CN(Cc4ccncc4)S3(=O)=O)(C1)O2 ZINC001159596219 1069357105 /nfs/dbraw/zinc/35/71/05/1069357105.db2.gz ZFJDVFFVJISGKO-GHDARCQNSA-N 1 3 461.588 -0.160 20 0 JBADHO O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1C[C@H]2C[C@H]3[C@@](CN(Cc4ccncc4)S3(=O)=O)(C1)O2 ZINC001159596219 1069357092 /nfs/dbraw/zinc/35/70/92/1069357092.db2.gz ZFJDVFFVJISGKO-GHDARCQNSA-N 1 3 461.588 -0.160 20 0 JBADHO O=C([C@H]1CCC2(CCNCC2)[NH2+]1)N1C[C@H]2C[C@H]3[C@@](CN(Cc4ccncc4)S3(=O)=O)(C1)O2 ZINC001159596220 1069357270 /nfs/dbraw/zinc/35/72/70/1069357270.db2.gz ZFJDVFFVJISGKO-IWQHBPENSA-N 1 3 461.588 -0.160 20 0 JBADHO O=C([C@H]1CCC2(CC[NH2+]CC2)N1)N1C[C@H]2C[C@H]3[C@@](CN(Cc4ccncc4)S3(=O)=O)(C1)O2 ZINC001159596220 1069357260 /nfs/dbraw/zinc/35/72/60/1069357260.db2.gz ZFJDVFFVJISGKO-IWQHBPENSA-N 1 3 461.588 -0.160 20 0 JBADHO CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)[C@H](Cc1ccccc1)NC(=O)CN)CC2 ZINC001159608762 1069358321 /nfs/dbraw/zinc/35/83/21/1069358321.db2.gz AFIDETYDWAZLRN-FQEVSTJZSA-N 1 3 458.607 -0.631 20 0 JBADHO CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)CN)CC2 ZINC001159610260 1069359569 /nfs/dbraw/zinc/35/95/69/1069359569.db2.gz NLMDBMZEYGMVQT-QFIPXVFZSA-N 1 3 497.644 -0.149 20 0 JBADHO CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)[C@@H](N)CCCNC(=O)c1cnccn1)CC2 ZINC001159610822 1069359676 /nfs/dbraw/zinc/35/96/76/1069359676.db2.gz URGLKLLLTWOOOI-SFHVURJKSA-N 1 3 474.610 -0.989 20 0 JBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1CC[C@H]2O[C@@H](C(=O)N3CCCO3)CC[C@H]21 ZINC001159623745 1069360836 /nfs/dbraw/zinc/36/08/36/1069360836.db2.gz GGIBEZUIEKVKIL-ZWJWXYIHSA-N 1 3 451.568 -0.254 20 0 JBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCCn2c(=O)cc(Cn3ccnc3)nc2C1 ZINC001159633349 1069361543 /nfs/dbraw/zinc/36/15/43/1069361543.db2.gz JRJDSQZIJKDRKF-OALUTQOASA-N 1 3 470.578 -0.332 20 0 JBADHO CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+])C2 ZINC001159652472 1069362692 /nfs/dbraw/zinc/36/26/92/1069362692.db2.gz DIZWQTHXSPIYDS-STWLZBDKSA-N 1 3 499.616 -0.305 20 0 JBADHO CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+])C2 ZINC001159652473 1069362845 /nfs/dbraw/zinc/36/28/45/1069362845.db2.gz DIZWQTHXSPIYDS-WATLYSKOSA-N 1 3 499.616 -0.305 20 0 JBADHO Cn1cccc1C(=O)NCc1cn2c(n1)CN(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+])CC2 ZINC001159664405 1069363312 /nfs/dbraw/zinc/36/33/12/1069363312.db2.gz WYUDNKHTAWLZCI-ICSRJNTNSA-N 1 3 484.605 -0.059 20 0 JBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1C[C@@H]2COC[C@]2(COCC(=O)N2CCCC2)C1 ZINC001159735911 1069366256 /nfs/dbraw/zinc/36/62/56/1069366256.db2.gz CCUSUSSAMWETFH-XUJKJYMVSA-N 1 3 479.622 -0.452 20 0 JBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1C[C@@H]2COC[C@@H](CC(=O)N3CCOCC3)[C@@H]2C1 ZINC001159768487 1069367721 /nfs/dbraw/zinc/36/77/21/1069367721.db2.gz UUALZARRUHQVGV-MJCUULBUSA-N 1 3 479.622 -0.596 20 0 JBADHO COCCN1CCO[C@H]2CN(C(=O)[C@@H]3CCCN3C(=O)[C@@H](N)CCCC[NH3+])CC[C@H]2C1=O ZINC001159918496 1069373688 /nfs/dbraw/zinc/37/36/88/1069373688.db2.gz SXSXJQXNESRXTN-XWSJACJDSA-N 1 3 453.584 -0.844 20 0 JBADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CC[C@H]2[C@H]1CCN2CC[NH+](C)C)C(=O)CF ZINC001159929478 1069373455 /nfs/dbraw/zinc/37/34/55/1069373455.db2.gz DVXIXUOIJTZGJB-HQMXNFIDSA-N 1 3 484.617 -0.875 20 0 JBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1CC[C@]2(C[C@@H](OCC(=O)N3CCCC3)CO2)C1 ZINC001159980122 1069375069 /nfs/dbraw/zinc/37/50/69/1069375069.db2.gz JCTLUPFBIWFXSJ-XUJKJYMVSA-N 1 3 479.622 -0.167 20 0 JBADHO CN(C)S(=O)(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CCCN3C(=O)[C@@H](N)CCCC[NH3+])C[C@H]2C1 ZINC001160007928 1069375715 /nfs/dbraw/zinc/37/57/15/1069375715.db2.gz QPCPOJLDBTWZLV-OWSLCNJRSA-N 1 3 458.629 -0.980 20 0 JBADHO CN(C)C(=O)N[C@@H]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCN3C(=O)[C@@H](N)CCCC[NH3+])C2)C1 ZINC001160041473 1069376401 /nfs/dbraw/zinc/37/64/01/1069376401.db2.gz JAHPUZRDJCOJAP-BZDHPDOMSA-N 1 3 452.600 -0.145 20 0 JBADHO Cn1cccc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])[C@@H]2COC[C@H]12 ZINC001160085227 1069377875 /nfs/dbraw/zinc/37/78/75/1069377875.db2.gz IIMBFCGMCCCKRX-FPPGBKCQSA-N 1 3 460.579 -0.572 20 0 JBADHO Cn1cc(C(=O)NC[C@H]2OC[C@@H]3CN(C(=O)[C@@H]4CCCN4C(=O)[C@@H](N)CCCC[NH3+])CC[C@@H]32)cn1 ZINC001160086897 1069378376 /nfs/dbraw/zinc/37/83/76/1069378376.db2.gz XBRFBSDNWHPGEA-UQVNRYHBSA-N 1 3 489.621 -0.539 20 0 JBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCC2(C[C@@H](C(=O)N3CCOCC3)CO2)CC1 ZINC001160102353 1069381429 /nfs/dbraw/zinc/38/14/29/1069381429.db2.gz KORSHRULAPGMNJ-AABGKKOBSA-N 1 3 479.622 -0.310 20 0 JBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCC2(C[C@H](C(=O)N3CCOCC3)CO2)CC1 ZINC001160102355 1069381728 /nfs/dbraw/zinc/38/17/28/1069381728.db2.gz KORSHRULAPGMNJ-UFYCRDLUSA-N 1 3 479.622 -0.310 20 0 JBADHO CC(C)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])C[C@@]2(CCCC(=O)N2)C1 ZINC001160193270 1069383769 /nfs/dbraw/zinc/38/37/69/1069383769.db2.gz MQFKYUIOLQGXAO-AXHZCLLHSA-N 1 3 478.638 -0.201 20 0 JBADHO CC(C)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])C[C@]2(CCCC(=O)N2)C1 ZINC001160193271 1069383451 /nfs/dbraw/zinc/38/34/51/1069383451.db2.gz MQFKYUIOLQGXAO-JXQFQVJHSA-N 1 3 478.638 -0.201 20 0 JBADHO Cn1ccnc1C(=O)N[C@H]1CN(C(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])[C@@H]2CCCO[C@@H]21 ZINC001160213432 1069384367 /nfs/dbraw/zinc/38/43/67/1069384367.db2.gz WGWOCWUQNIKVGC-QXCZDIPSSA-N 1 3 475.594 -0.644 20 0 JBADHO CN(C)C(=O)Cn1c(=O)ccc2c1CCN(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+])CC2 ZINC001160266020 1069385597 /nfs/dbraw/zinc/38/55/97/1069385597.db2.gz GTVZUOAJVAXFAY-ICSRJNTNSA-N 1 3 474.606 -0.689 20 0 JBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCO[C@@]2(C1)COCCN(c1ncccn1)C2 ZINC001160352325 1069388077 /nfs/dbraw/zinc/38/80/77/1069388077.db2.gz CTRGSDOVFGDHJL-SFYKDHMMSA-N 1 3 475.594 -0.642 20 0 JBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCO[C@]2(C1)COCCN(c1ncccn1)C2 ZINC001160352338 1069388027 /nfs/dbraw/zinc/38/80/27/1069388027.db2.gz CTRGSDOVFGDHJL-YDHSSHFGSA-N 1 3 475.594 -0.642 20 0 JBADHO CN(C)C(=O)CN1CCC2(CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])CC1 ZINC001160392044 1069390452 /nfs/dbraw/zinc/39/04/52/1069390452.db2.gz VEQYITHDNLWUQC-OALUTQOASA-N 1 3 450.628 -0.021 20 0 JBADHO Cn1cc(C(=O)N[C@H]2CN(C(=O)[C@@H]3CCCN3C(=O)[C@@H](N)CCCC[NH3+])[C@@H]3CCCO[C@@H]32)cn1 ZINC001160398576 1069390909 /nfs/dbraw/zinc/39/09/09/1069390909.db2.gz JMLKVQZGEUPPAC-UHZRXMQZSA-N 1 3 475.594 -0.644 20 0 JBADHO Cn1ccnc1C(=O)NCc1cnc2n1CCN(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+])CC2 ZINC001160404870 1069392153 /nfs/dbraw/zinc/39/21/53/1069392153.db2.gz CPGGGTXVYXZSAI-OALUTQOASA-N 1 3 499.620 -0.621 20 0 JBADHO COc1cc(OC)nc(CN2CCN(C(=O)[C@@H]3CCCN3C(=O)[C@@H](N)CCCC[NH3+])CC2)n1 ZINC001160428927 1069393592 /nfs/dbraw/zinc/39/35/92/1069393592.db2.gz NMYMQEICWKGXMH-IRXDYDNUSA-N 1 3 463.583 -0.415 20 0 JBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC001160470335 1069394261 /nfs/dbraw/zinc/39/42/61/1069394261.db2.gz JQPQGQUUHQJKBY-BBTUJRGHSA-N 1 3 473.574 -0.056 20 0 JBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC001160470336 1069394079 /nfs/dbraw/zinc/39/40/79/1069394079.db2.gz JQPQGQUUHQJKBY-WFXMLNOXSA-N 1 3 473.574 -0.056 20 0 JBADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)n1ccc([C@@H]2CCC[NH2+]2)nc1=N)C(=O)CF ZINC001160538293 1069396142 /nfs/dbraw/zinc/39/61/42/1069396142.db2.gz HLAVRIJNRKQIKC-ATZCPQFDSA-N 1 3 465.530 -0.671 20 0 JBADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)n1ccc([C@H]2CCC[NH2+]2)nc1=N)C(=O)CF ZINC001160538294 1069396308 /nfs/dbraw/zinc/39/63/08/1069396308.db2.gz HLAVRIJNRKQIKC-HRJSJKBJSA-N 1 3 465.530 -0.671 20 0 JBADHO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN(C2CC[NH2+]CC2)C1)C(=O)NCC(N)=O ZINC001160629540 1069398688 /nfs/dbraw/zinc/39/86/88/1069398688.db2.gz TZNHGBOZWPUOOY-HOJAQTOUSA-N 1 3 478.638 -0.426 20 0 JBADHO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCCN(C2CC[NH2+]CC2)C1)C(=O)NCC(N)=O ZINC001160629543 1069398814 /nfs/dbraw/zinc/39/88/14/1069398814.db2.gz TZNHGBOZWPUOOY-IHPCNDPISA-N 1 3 478.638 -0.426 20 0 JBADHO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH2+]C(C)C)C(=O)NCC(N)=O ZINC001160631895 1069399868 /nfs/dbraw/zinc/39/98/68/1069399868.db2.gz XBCHVDUXORGMPU-BZSNNMDCSA-N 1 3 454.616 -0.395 20 0 JBADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1)C(=O)CF ZINC001160781841 1069403386 /nfs/dbraw/zinc/40/33/86/1069403386.db2.gz WLRHRNYWSAXRRT-UNKLQJDYSA-N 1 3 489.592 -0.113 20 0 JBADHO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@H](CC(C)C)NC(=O)[C@@H]3CCCN3C(=O)[C@H](C)N)C[C@H]1C2 ZINC001160797244 1069403979 /nfs/dbraw/zinc/40/39/79/1069403979.db2.gz LMUXMNGAUXVYMB-BVCUWYENSA-N 1 3 491.633 -0.287 20 0 JBADHO CCOC(=O)[C@]12CN(C(=O)[C@H](CC(C)C)NC(=O)[C@@H]3CCCN3C(=O)[C@H](C)N)C[C@H]1C[NH2+]CC2 ZINC001160813616 1069403934 /nfs/dbraw/zinc/40/39/34/1069403934.db2.gz AWSNYRPRWVURGE-JIWZOFCXSA-N 1 3 479.622 -0.143 20 0 JBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCN(CC(=O)NCCc2ccccc2)CC1 ZINC001160895164 1069406344 /nfs/dbraw/zinc/40/63/44/1069406344.db2.gz WAFJFNPLKHOZSN-VXKWHMMOSA-N 1 3 472.634 -0.063 20 0 JBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N(c1ncccn1)C1C[NH2+]C1 ZINC001160915595 1069407793 /nfs/dbraw/zinc/40/77/93/1069407793.db2.gz FMYOBRDPCPLBLP-ICSRJNTNSA-N 1 3 453.547 -0.392 20 0 JBADHO N[C@@H](CCC[NH3+])C(=O)N1C[C@@H](N2CCN(c3ncccn3)CC2)C[C@H]1C(=O)N1CCC(F)(F)C1 ZINC001160993506 1069412022 /nfs/dbraw/zinc/41/20/22/1069412022.db2.gz UTRRZFGLMAUBDG-BZSNNMDCSA-N 1 3 480.564 -0.498 20 0 JBADHO N[C@H](CCC[NH3+])C(=O)N1C[C@@H](N2CCN(c3ncccn3)CC2)C[C@H]1C(=O)N1CCC(F)(F)C1 ZINC001160993507 1069412076 /nfs/dbraw/zinc/41/20/76/1069412076.db2.gz UTRRZFGLMAUBDG-KSZLIROESA-N 1 3 480.564 -0.498 20 0 JBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161008526 1069412648 /nfs/dbraw/zinc/41/26/48/1069412648.db2.gz PPAKUDSQXGVWAP-ZJOUEHCJSA-N 1 3 459.591 -0.471 20 0 JBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161008528 1069412763 /nfs/dbraw/zinc/41/27/63/1069412763.db2.gz PPAKUDSQXGVWAP-ZVDOUQERSA-N 1 3 459.591 -0.471 20 0 JBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1CC[C@@H](NS(=O)(=O)c2ccccn2)C1 ZINC001161067145 1069413698 /nfs/dbraw/zinc/41/36/98/1069413698.db2.gz FQMZTPQDYHVZOW-IKGGRYGDSA-N 1 3 452.581 -0.592 20 0 JBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1CC[C@H](NS(=O)(=O)c2ccccn2)C1 ZINC001161067149 1069413565 /nfs/dbraw/zinc/41/35/65/1069413565.db2.gz FQMZTPQDYHVZOW-ULQDDVLXSA-N 1 3 452.581 -0.592 20 0 JBADHO O=C([C@@H]1C[C@H](N2CCN(C(=O)[C@@H]3CNCc4ccnn4C3)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001161117480 1069414849 /nfs/dbraw/zinc/41/48/49/1069414849.db2.gz LMTHCFZQTIYZPV-NJAFHUGGSA-N 1 3 451.522 -0.655 20 0 JBADHO O=C([C@@H]1C[C@H](N2CCN(C(=O)[C@H]3CNCc4ccnn4C3)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001161117482 1069414888 /nfs/dbraw/zinc/41/48/88/1069414888.db2.gz LMTHCFZQTIYZPV-SZMVWBNQSA-N 1 3 451.522 -0.655 20 0 JBADHO O=C([C@@H]1C[C@H](N2CCN(C(=O)[C@H]3CC[C@]4(C3)CNCCO4)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001161118551 1069414910 /nfs/dbraw/zinc/41/49/10/1069414910.db2.gz HMRONWKYWGGCTB-NTLWEQJWSA-N 1 3 455.550 -0.113 20 0 JBADHO O=C([C@@H]1CC[C@@]2(C1)CNCCO2)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161118552 1069414871 /nfs/dbraw/zinc/41/48/71/1069414871.db2.gz HMRONWKYWGGCTB-OEMYIYORSA-N 1 3 455.550 -0.113 20 0 JBADHO O=C([C@@H]1C[C@H](N2CCN(C(=O)[C@H]3CC[C@@]4(C3)CNCCO4)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001161118553 1069415443 /nfs/dbraw/zinc/41/54/43/1069415443.db2.gz HMRONWKYWGGCTB-RYLXDESZSA-N 1 3 455.550 -0.113 20 0 JBADHO O=C([C@@H]1CC[C@]2(C1)CNCCO2)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161118554 1069415394 /nfs/dbraw/zinc/41/53/94/1069415394.db2.gz HMRONWKYWGGCTB-WKRCXCSHSA-N 1 3 455.550 -0.113 20 0 JBADHO CC(C)C[C@H](N)C(=O)NCC(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161119231 1069415411 /nfs/dbraw/zinc/41/54/11/1069415411.db2.gz NBSSYXMJFOBYAR-ULQDDVLXSA-N 1 3 458.554 -0.782 20 0 JBADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161119945 1069416162 /nfs/dbraw/zinc/41/61/62/1069416162.db2.gz VESZRXXJSRURTP-XSLAGTTESA-N 1 3 472.581 -0.393 20 0 JBADHO C[C@H](N)C(=O)N1[C@H](C(=O)N2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)COC1(C)C ZINC001161122661 1069416572 /nfs/dbraw/zinc/41/65/72/1069416572.db2.gz FKDDYNVNJWBVLV-QAETUUGQSA-N 1 3 486.564 -0.961 20 0 JBADHO C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161122746 1069417174 /nfs/dbraw/zinc/41/71/74/1069417174.db2.gz IGCFBUKBOPFEDI-QAETUUGQSA-N 1 3 456.538 -0.933 20 0 JBADHO N[C@H]1CCCCN(CC(=O)N2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)C1=O ZINC001161122754 1069417266 /nfs/dbraw/zinc/41/72/66/1069417266.db2.gz ISEXRVHBTHTRNN-ULQDDVLXSA-N 1 3 456.538 -0.932 20 0 JBADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161122786 1069417299 /nfs/dbraw/zinc/41/72/99/1069417299.db2.gz JUDUIIOIDNWCOE-OVWQWFNUSA-N 1 3 458.554 -0.782 20 0 JBADHO CC(=O)NCCCC[C@H](N)C(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161122813 1069417235 /nfs/dbraw/zinc/41/72/35/1069417235.db2.gz LAFPQLQBELRVPU-BZSNNMDCSA-N 1 3 458.554 -0.638 20 0 JBADHO CN(C)S(=O)(=O)c1ccc(N2CCN(C(=O)[C@]34C[NH2+]C[C@H]3CNCC4)CC2)c2nonc21 ZINC001161153473 1069420088 /nfs/dbraw/zinc/42/00/88/1069420088.db2.gz JNIDQGYZCTYLMT-JLTOFOAXSA-N 1 3 463.564 -0.679 20 0 JBADHO CN(C)S(=O)(=O)c1ccc(N2CCN(C(=O)[C@@H]3CCC4(CCNCC4)[NH2+]3)CC2)c2nonc21 ZINC001161153722 1069419977 /nfs/dbraw/zinc/41/99/77/1069419977.db2.gz OSNAAHZDYOYPKL-HNNXBMFYSA-N 1 3 477.591 -0.004 20 0 JBADHO CN(C)S(=O)(=O)c1ccc(N2CCN(C(=O)[C@@H]3CCC4(CC[NH2+]CC4)N3)CC2)c2nonc21 ZINC001161153722 1069419967 /nfs/dbraw/zinc/41/99/67/1069419967.db2.gz OSNAAHZDYOYPKL-HNNXBMFYSA-N 1 3 477.591 -0.004 20 0 JBADHO CN(C)S(=O)(=O)c1ccc(N2CCN(C(=O)[C@H]3CCC4(CCNCC4)[NH2+]3)CC2)c2nonc21 ZINC001161153724 1069420120 /nfs/dbraw/zinc/42/01/20/1069420120.db2.gz OSNAAHZDYOYPKL-OAHLLOKOSA-N 1 3 477.591 -0.004 20 0 JBADHO CN(C)S(=O)(=O)c1ccc(N2CCN(C(=O)[C@H]3CCC4(CC[NH2+]CC4)N3)CC2)c2nonc21 ZINC001161153724 1069420113 /nfs/dbraw/zinc/42/01/13/1069420113.db2.gz OSNAAHZDYOYPKL-OAHLLOKOSA-N 1 3 477.591 -0.004 20 0 JBADHO CN(C)S(=O)(=O)c1ccc(N2CCN(C(=O)[C@@H](N)C3CC[NH2+]CC3)CC2)c2nonc21 ZINC001161154058 1069420834 /nfs/dbraw/zinc/42/08/34/1069420834.db2.gz TZKQAUXIYTXKAF-INIZCTEOSA-N 1 3 451.553 -0.551 20 0 JBADHO CN(C)S(=O)(=O)c1ccc(N2CCN(C(=O)[C@H](N)C3CC[NH2+]CC3)CC2)c2nonc21 ZINC001161154059 1069420661 /nfs/dbraw/zinc/42/06/61/1069420661.db2.gz TZKQAUXIYTXKAF-MRXNPFEDSA-N 1 3 451.553 -0.551 20 0 JBADHO CN(C)S(=O)(=O)c1ccc(N2CCN(C(=O)[C@@H](N)CSCC[NH3+])CC2)c2nonc21 ZINC001161154402 1069421209 /nfs/dbraw/zinc/42/12/09/1069421209.db2.gz ZOFGIYSLISZBEM-LBPRGKRZSA-N 1 3 457.582 -0.859 20 0 JBADHO CCOC(=O)CN(CCC[NH3+])C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](N)C(C)C ZINC001161159156 1069421467 /nfs/dbraw/zinc/42/14/67/1069421467.db2.gz WTEMJKAXJJLFSW-RXVVDRJESA-N 1 3 463.579 -0.446 20 0 JBADHO CCC[N@@H+]1C[C@H]2CN(C(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)CF)C[C@H]2C1 ZINC001161174795 1069421989 /nfs/dbraw/zinc/42/19/89/1069421989.db2.gz FXKPGXRFACTOGK-GHHWKCCRSA-N 1 3 455.575 -0.312 20 0 JBADHO CCC[N@H+]1C[C@H]2CN(C(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)CF)C[C@H]2C1 ZINC001161174795 1069421976 /nfs/dbraw/zinc/42/19/76/1069421976.db2.gz FXKPGXRFACTOGK-GHHWKCCRSA-N 1 3 455.575 -0.312 20 0 JBADHO CCC[NH+]1C[C@H]2CN(C(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)CF)C[C@@H]2C1 ZINC001161174796 1069422108 /nfs/dbraw/zinc/42/21/08/1069422108.db2.gz FXKPGXRFACTOGK-LLYLOPHFSA-N 1 3 455.575 -0.312 20 0 JBADHO CCC[NH+]1C[C@@H]2CN(C(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)CF)C[C@H]2C1 ZINC001161174798 1069422091 /nfs/dbraw/zinc/42/20/91/1069422091.db2.gz FXKPGXRFACTOGK-NEHHDPPZSA-N 1 3 455.575 -0.312 20 0 JBADHO N[C@@H](CCCNC(=O)c1cnccn1)C(=O)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161192337 1069422634 /nfs/dbraw/zinc/42/26/34/1069422634.db2.gz PZMGMMYKGKFVQZ-FQEVSTJZSA-N 1 3 461.611 -0.136 20 0 JBADHO Cc1c[nH+]ccc1N1CCN(C(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)CF)CC1 ZINC001161306221 1069424942 /nfs/dbraw/zinc/42/49/42/1069424942.db2.gz HPELARFIISKYOH-FIKGOQFSSA-N 1 3 478.569 -0.060 20 0 JBADHO O=C([C@@H]1CCS(=O)(=O)C12CNC2)N1c2ccccc2CN(C2CC[NH2+]CC2)S1(=O)=O ZINC001161354742 1069424917 /nfs/dbraw/zinc/42/49/17/1069424917.db2.gz RXKUDZYUOPTQCP-INIZCTEOSA-N 1 3 454.574 -0.391 20 0 JBADHO O=C([C@H]1CCS(=O)(=O)C12CNC2)N1c2ccccc2CN(C2CC[NH2+]CC2)S1(=O)=O ZINC001161354743 1069424798 /nfs/dbraw/zinc/42/47/98/1069424798.db2.gz RXKUDZYUOPTQCP-MRXNPFEDSA-N 1 3 454.574 -0.391 20 0 JBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001161380033 1069425702 /nfs/dbraw/zinc/42/57/02/1069425702.db2.gz ITDNOALTNTZPNJ-FUDKSRODSA-N 1 3 472.634 -0.163 20 0 JBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001161380035 1069425637 /nfs/dbraw/zinc/42/56/37/1069425637.db2.gz ITDNOALTNTZPNJ-GIWBLDEGSA-N 1 3 472.634 -0.163 20 0 JBADHO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(=O)N1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001161381808 1069425743 /nfs/dbraw/zinc/42/57/43/1069425743.db2.gz ZQNDWGJSYPCTCP-LEAZDLGRSA-N 1 3 450.628 -0.121 20 0 JBADHO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(=O)N1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001161381817 1069425666 /nfs/dbraw/zinc/42/56/66/1069425666.db2.gz ZQNDWGJSYPCTCP-RNQOJCNYSA-N 1 3 450.628 -0.121 20 0 JBADHO CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N(CCN(C)C)[C@@H]1CCC[NH2+]C1 ZINC001161448451 1069426527 /nfs/dbraw/zinc/42/65/27/1069426527.db2.gz CENVONSCYDSHTM-AABGKKOBSA-N 1 3 464.611 -0.753 20 0 JBADHO CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N(CCN(C)C)[C@H]1CCC[NH2+]C1 ZINC001161448452 1069426412 /nfs/dbraw/zinc/42/64/12/1069426412.db2.gz CENVONSCYDSHTM-UFYCRDLUSA-N 1 3 464.611 -0.753 20 0 JBADHO COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)CC2 ZINC001161481018 1069427291 /nfs/dbraw/zinc/42/72/91/1069427291.db2.gz RDGMIAZQHKGXBG-AQBJMCTPSA-N 1 3 465.595 -0.391 20 0 JBADHO COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)CC2 ZINC001161481019 1069427062 /nfs/dbraw/zinc/42/70/62/1069427062.db2.gz RDGMIAZQHKGXBG-CKBXSBTMSA-N 1 3 465.595 -0.391 20 0 JBADHO COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)CC2 ZINC001161481020 1069427243 /nfs/dbraw/zinc/42/72/43/1069427243.db2.gz RDGMIAZQHKGXBG-IUUWJXCHSA-N 1 3 465.595 -0.391 20 0 JBADHO COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)CC2 ZINC001161481021 1069427034 /nfs/dbraw/zinc/42/70/34/1069427034.db2.gz RDGMIAZQHKGXBG-JHWSBEJJSA-N 1 3 465.595 -0.391 20 0 JBADHO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])Nc1cc2c(nn1)CCNC2)C(N)=O ZINC001162858399 1069444470 /nfs/dbraw/zinc/44/44/70/1069444470.db2.gz FBAYWJZDVUXYJR-BJLQDIEVSA-N 1 3 474.610 -0.351 20 0 JBADHO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])Nc1ncc2c(n1)CCNC2)C(N)=O ZINC001162858842 1069445620 /nfs/dbraw/zinc/44/56/20/1069445620.db2.gz WBWTXOHUAMPDLR-FHWLQOOXSA-N 1 3 474.610 -0.351 20 0 JBADHO NC(=O)[C@H](Cc1cn(-c2cc3c(nn2)CC[NH2+]C3)c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1 ZINC001163427061 1069451573 /nfs/dbraw/zinc/45/15/73/1069451573.db2.gz HSAWXPWYUHXJSY-ICSRJNTNSA-N 1 3 473.541 -0.128 20 0 JBADHO NC(=O)[C@H](Cc1cn(-c2cc3c(nn2)CC[NH2+]C3)c2ccccc12)NC(=O)[C@@H](N)Cc1c[nH]cn1 ZINC001163427061 1069451568 /nfs/dbraw/zinc/45/15/68/1069451568.db2.gz HSAWXPWYUHXJSY-ICSRJNTNSA-N 1 3 473.541 -0.128 20 0 JBADHO NC(=O)[C@H](Cc1cn(-c2ncnc3c2CC[NH2+]CC3)c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1 ZINC001163427066 1069451481 /nfs/dbraw/zinc/45/14/81/1069451481.db2.gz GRSGFPCDNAGEBS-FPOVZHCZSA-N 1 3 487.568 -0.086 20 0 JBADHO NC(=O)[C@H](Cc1cn(-c2ncc3c(n2)CC[NH2+]C3)c2ccccc12)NC(=O)[C@@H](N)Cc1c[nH]cn1 ZINC001163427992 1069451449 /nfs/dbraw/zinc/45/14/49/1069451449.db2.gz PDVRQUQDTJFTBG-ICSRJNTNSA-N 1 3 473.541 -0.128 20 0 JBADHO NC(=O)[C@H](Cc1cn(-c2ncnc3c2CC[NH2+]C3)c2ccccc12)NC(=O)[C@@H](N)Cc1c[nH]cn1 ZINC001163428726 1069451636 /nfs/dbraw/zinc/45/16/36/1069451636.db2.gz SQKWRQUGIFFNSS-OALUTQOASA-N 1 3 473.541 -0.128 20 0 JBADHO NC(=O)[C@H](Cc1cn(-c2cc(C3C[NH2+]C3)ncn2)c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1 ZINC001163433725 1069453143 /nfs/dbraw/zinc/45/31/43/1069453143.db2.gz QLSLUOFUQQUKOD-ICSRJNTNSA-N 1 3 473.541 -0.087 20 0 JBADHO CSc1cnc(Cl)nc1-n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163437988 1069453760 /nfs/dbraw/zinc/45/37/60/1069453760.db2.gz AVSCKALGYBVLFP-STQMWFEESA-N 1 3 498.013 -0.877 20 0 JBADHO Cc1cccc2ccnc(-n3cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c3)c12 ZINC001163437991 1069453712 /nfs/dbraw/zinc/45/37/12/1069453712.db2.gz BAKQHDVRUCCTAU-OALUTQOASA-N 1 3 480.573 -0.186 20 0 JBADHO CCc1cc2c(ccnc2-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)o1 ZINC001163438002 1069453890 /nfs/dbraw/zinc/45/38/90/1069453890.db2.gz BMMZHTGQWPKLPH-ROUUACIJSA-N 1 3 484.561 -0.339 20 0 JBADHO CSCc1ccnc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)c1 ZINC001163438028 1069453622 /nfs/dbraw/zinc/45/36/22/1069453622.db2.gz CAUPJRPVGUVGNI-IRXDYDNUSA-N 1 3 476.607 -0.785 20 0 JBADHO Cc1cc2c(ccnc2-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)o1 ZINC001163438036 1069453656 /nfs/dbraw/zinc/45/36/56/1069453656.db2.gz CHAHGTOILSIZQS-IRXDYDNUSA-N 1 3 470.534 -0.593 20 0 JBADHO Cc1cc2ccccc2c(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163438040 1069453828 /nfs/dbraw/zinc/45/38/28/1069453828.db2.gz CILPEFGTLZNENR-PMACEKPBSA-N 1 3 480.573 -0.186 20 0 JBADHO CSc1cc(Cl)cnc1-n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163438045 1069453744 /nfs/dbraw/zinc/45/37/44/1069453744.db2.gz CNLKAHKEPUMDTB-GJZGRUSLSA-N 1 3 497.025 -0.272 20 0 JBADHO NC(=O)CNC(=O)[C@H](Cc1cn(-c2nncc3ccc(F)cc32)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163438076 1069453918 /nfs/dbraw/zinc/45/39/18/1069453918.db2.gz CVYAJMPXTJYPDN-ROUUACIJSA-N 1 3 485.524 -0.960 20 0 JBADHO Cc1cc(Cl)c(C)c(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163438079 1069453674 /nfs/dbraw/zinc/45/36/74/1069453674.db2.gz CZQXPQYJXDMUOR-IRXDYDNUSA-N 1 3 478.985 -0.377 20 0 JBADHO NC(=O)CNC(=O)[C@H](Cc1cn(-c2c(Cl)ccnc2Cl)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163438081 1069453936 /nfs/dbraw/zinc/45/39/36/1069453936.db2.gz DDANDVJGAQCLAY-KBPBESRZSA-N 1 3 485.376 -0.341 20 0 JBADHO Cc1cccc2c1ccnc2-n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163438097 1069453694 /nfs/dbraw/zinc/45/36/94/1069453694.db2.gz DEAAAGFYMMNPMU-PMACEKPBSA-N 1 3 480.573 -0.186 20 0 JBADHO Cc1c(Cl)cnc(Cl)c1-n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163438098 1069453906 /nfs/dbraw/zinc/45/39/06/1069453906.db2.gz DENUZAHADHAHHB-GJZGRUSLSA-N 1 3 499.403 -0.032 20 0 JBADHO CCCc1cc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)nc(C)n1 ZINC001163438107 1069453734 /nfs/dbraw/zinc/45/37/34/1069453734.db2.gz DHPHJWZTBBXZAB-ROUUACIJSA-N 1 3 473.582 -0.992 20 0 JBADHO COc1cnc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)c(Cl)c1 ZINC001163438146 1069454366 /nfs/dbraw/zinc/45/43/66/1069454366.db2.gz DYMKPISGHMEGAD-HOTGVXAUSA-N 1 3 480.957 -0.986 20 0 JBADHO NC(=O)CNC(=O)[C@H](Cc1cn([C@@H](F)Oc2cccc(Cl)n2)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163438147 1069454543 /nfs/dbraw/zinc/45/45/43/1069454543.db2.gz DYOURHJLCBNUSN-PJSUUKDQSA-N 1 3 498.947 -0.479 20 0 JBADHO NC(=O)CNC(=O)[C@H](Cc1cn([C@H](F)Oc2cccc(Cl)n2)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163438148 1069454467 /nfs/dbraw/zinc/45/44/67/1069454467.db2.gz DYOURHJLCBNUSN-YRVVQQKDSA-N 1 3 498.947 -0.479 20 0 JBADHO NC(=O)CNC(=O)[C@H](Cc1cn([C@H](F)c2ccnc(Cl)c2)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163438153 1069454559 /nfs/dbraw/zinc/45/45/59/1069454559.db2.gz FDYZLVHYXLXXLV-MPGHIAIKSA-N 1 3 482.948 -0.467 20 0 JBADHO NC(=O)CNC(=O)[C@H](Cc1cn([C@@H](F)c2ccnc(Cl)c2)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163438154 1069454508 /nfs/dbraw/zinc/45/45/08/1069454508.db2.gz FDYZLVHYXLXXLV-RLFYNMQTSA-N 1 3 482.948 -0.467 20 0 JBADHO NC(=O)CNC(=O)[C@H](Cc1cn(-c2cc(-c3ccccc3)ncn2)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163438160 1069454356 /nfs/dbraw/zinc/45/43/56/1069454356.db2.gz FJDGUQGKUWMNEE-ICSRJNTNSA-N 1 3 493.572 -0.586 20 0 JBADHO NC(=O)CNC(=O)[C@H](Cc1cn(-c2cc3ccc(F)cc3cn2)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163438278 1069454605 /nfs/dbraw/zinc/45/46/05/1069454605.db2.gz FTLLMICRVMUAQA-OALUTQOASA-N 1 3 484.536 -0.355 20 0 JBADHO NC(=O)CNC(=O)[C@H](Cc1cn(-c2ccc3occc3n2)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163438286 1069454578 /nfs/dbraw/zinc/45/45/78/1069454578.db2.gz FWEAPUOHZQEOQO-HOCLYGCPSA-N 1 3 456.507 -0.901 20 0 JBADHO Cc1nnc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)c2ccccc12 ZINC001163438313 1069454346 /nfs/dbraw/zinc/45/43/46/1069454346.db2.gz GNVLLMYEKUWRIX-OALUTQOASA-N 1 3 481.561 -0.791 20 0 JBADHO Cc1cc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)ncc1Cl ZINC001163438314 1069454415 /nfs/dbraw/zinc/45/44/15/1069454415.db2.gz AGRQPSIXACRZJU-HOTGVXAUSA-N 1 3 464.958 -0.686 20 0 JBADHO NC(=O)CNC(=O)[C@H](Cc1cn(-c2ccc(-c3ccsc3)nn2)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163438318 1069454590 /nfs/dbraw/zinc/45/45/90/1069454590.db2.gz GNYTWTHLHVRBRY-WMZOPIPTSA-N 1 3 499.601 -0.524 20 0 JBADHO Cc1nc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)nc(C)c1Cl ZINC001163438322 1069454430 /nfs/dbraw/zinc/45/44/30/1069454430.db2.gz GQJBSMPWGARKFF-GJZGRUSLSA-N 1 3 479.973 -0.982 20 0 JBADHO Cc1nc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)ccc1Cl ZINC001163438324 1069454598 /nfs/dbraw/zinc/45/45/98/1069454598.db2.gz ALHPAGPPSBKWHY-HOTGVXAUSA-N 1 3 464.958 -0.686 20 0 JBADHO CC(C)c1ccc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)nc1 ZINC001163438335 1069454384 /nfs/dbraw/zinc/45/43/84/1069454384.db2.gz GSJWIARTOADOKK-ROUUACIJSA-N 1 3 458.567 -0.524 20 0 JBADHO CSCc1ccc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)nc1 ZINC001163438369 1069454401 /nfs/dbraw/zinc/45/44/01/1069454401.db2.gz HIMPOKGGEBIFPF-IRXDYDNUSA-N 1 3 476.607 -0.785 20 0 JBADHO NC(=O)CNC(=O)[C@H](Cc1cn(-c2cnc3ccc(F)cc3n2)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163438374 1069454485 /nfs/dbraw/zinc/45/44/85/1069454485.db2.gz BGWHQAYDAYCEBC-YJBOKZPZSA-N 1 3 485.524 -0.960 20 0 JBADHO NC(=O)CNC(=O)[C@H](Cc1cn(-c2ncnc3cccc(F)c32)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163438375 1069454615 /nfs/dbraw/zinc/45/46/15/1069454615.db2.gz HRNNDKNQIBCNGD-RDJZCZTQSA-N 1 3 485.524 -0.960 20 0 JBADHO NC(=O)CNC(=O)[C@H](Cc1cn(-c2ncc(F)cc2Cl)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163438414 1069454529 /nfs/dbraw/zinc/45/45/29/1069454529.db2.gz BNSQEIGKEJWAEP-GJZGRUSLSA-N 1 3 468.921 -0.855 20 0 JBADHO NC(=O)CNC(=O)[C@H](Cc1cn(-c2ccc3cc(F)ccc3n2)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163438423 1069454449 /nfs/dbraw/zinc/45/44/49/1069454449.db2.gz BOYIKXVRAMQAQA-HKUYNNGSSA-N 1 3 484.536 -0.355 20 0 JBADHO CC(C)(C)Oc1cccc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163438424 1069455062 /nfs/dbraw/zinc/45/50/62/1069455062.db2.gz ITHHBAWJXQLTQG-IRXDYDNUSA-N 1 3 488.593 -0.470 20 0 JBADHO Cc1cc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)nc(C(C)(C)C)n1 ZINC001163438434 1069455149 /nfs/dbraw/zinc/45/51/49/1069455149.db2.gz JBAKDNHDAXWELP-IRXDYDNUSA-N 1 3 487.609 -0.647 20 0 JBADHO NC(=O)CNC(=O)[C@H](Cc1cn([C@@H](F)Oc2ccc(Cl)nc2)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163438443 1069455140 /nfs/dbraw/zinc/45/51/40/1069455140.db2.gz JBJVDPJOMXHHTH-AUSJPIAWSA-N 1 3 498.947 -0.479 20 0 JBADHO NC(=O)CNC(=O)[C@H](Cc1cn([C@H](F)Oc2ccc(Cl)nc2)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163438445 1069455201 /nfs/dbraw/zinc/45/52/01/1069455201.db2.gz JBJVDPJOMXHHTH-AVYPCKFXSA-N 1 3 498.947 -0.479 20 0 JBADHO CC(C)(C)c1ccnc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163438456 1069455187 /nfs/dbraw/zinc/45/51/87/1069455187.db2.gz BYAFRMBGRBOHFR-HOTGVXAUSA-N 1 3 473.582 -0.955 20 0 JBADHO NC(=O)CNC(=O)[C@H](Cc1cn([C@@H](F)Oc2ccnc(Cl)c2)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163438465 1069455127 /nfs/dbraw/zinc/45/51/27/1069455127.db2.gz CESNBHRUWXTQCS-AUSJPIAWSA-N 1 3 498.947 -0.479 20 0 JBADHO NC(=O)CNC(=O)[C@H](Cc1cn([C@H](F)Oc2ccnc(Cl)c2)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163438467 1069455168 /nfs/dbraw/zinc/45/51/68/1069455168.db2.gz CESNBHRUWXTQCS-AVYPCKFXSA-N 1 3 498.947 -0.479 20 0 JBADHO NC(=O)CNC(=O)[C@H](Cc1cn(-c2ncc(Cl)cc2Cl)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163438470 1069455178 /nfs/dbraw/zinc/45/51/78/1069455178.db2.gz CFQIHISASCIWKO-GJZGRUSLSA-N 1 3 485.376 -0.341 20 0 JBADHO NC(=O)CNC(=O)[C@H](Cc1cn(-c2cc3ccccc3cn2)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163438477 1069455210 /nfs/dbraw/zinc/45/52/10/1069455210.db2.gz CGXCJAMCRBAMKC-OALUTQOASA-N 1 3 466.546 -0.494 20 0 JBADHO COc1ccc2ccnc(-n3cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c3)c2c1 ZINC001163438478 1069455093 /nfs/dbraw/zinc/45/50/93/1069455093.db2.gz JMGCASTXQWTHKO-PMACEKPBSA-N 1 3 496.572 -0.486 20 0 JBADHO CSc1cnc(Cl)c(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163438482 1069455018 /nfs/dbraw/zinc/45/50/18/1069455018.db2.gz JMLSVTHFWZYVSI-STQMWFEESA-N 1 3 498.013 -0.877 20 0 JBADHO Cc1cc(Cl)c(C)nc1-n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163438484 1069455158 /nfs/dbraw/zinc/45/51/58/1069455158.db2.gz JMRMGLDKCNQCFL-IRXDYDNUSA-N 1 3 478.985 -0.377 20 0 JBADHO NC(=O)CNC(=O)[C@H](Cc1cn(-c2nnc(Cl)c3ccoc32)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163438488 1069455040 /nfs/dbraw/zinc/45/50/40/1069455040.db2.gz JRQMMJXWXGWICD-KBPBESRZSA-N 1 3 491.940 -0.853 20 0 JBADHO NC(=O)CNC(=O)[C@H](Cc1cn(-c2cc(C3CCC3)ncn2)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163438491 1069454981 /nfs/dbraw/zinc/45/49/81/1069454981.db2.gz JSQVEGXJSINMGY-WMZOPIPTSA-N 1 3 471.566 -0.985 20 0 JBADHO NC(=O)CNC(=O)[C@H](Cc1cn(-c2nc(Cl)cnc2Cl)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163438498 1069455119 /nfs/dbraw/zinc/45/51/19/1069455119.db2.gz CORDKXAGWMUPMT-RYUDHWBXSA-N 1 3 486.364 -0.946 20 0 JBADHO Cc1csc2cnc(-n3cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c3)nc12 ZINC001163438502 1069455107 /nfs/dbraw/zinc/45/51/07/1069455107.db2.gz JXWMEXLNJIXKMZ-GJZGRUSLSA-N 1 3 487.590 -0.729 20 0 JBADHO Cc1cc2cccnc2c(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163438505 1069454958 /nfs/dbraw/zinc/45/49/58/1069454958.db2.gz KAAVIDAWWXHGSR-ROUUACIJSA-N 1 3 481.561 -0.791 20 0 JBADHO Cc1cc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)nc(-c2ccco2)n1 ZINC001163438508 1069455075 /nfs/dbraw/zinc/45/50/75/1069455075.db2.gz KBNNGIFEUUHYKP-IRXDYDNUSA-N 1 3 497.560 -0.684 20 0 JBADHO CC(C)c1c(Cl)ncnc1-n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163438516 1069455002 /nfs/dbraw/zinc/45/50/02/1069455002.db2.gz KFCBVCIDZJLJOJ-GJZGRUSLSA-N 1 3 494.000 -0.476 20 0 JBADHO NC(=O)CNC(=O)[C@H](Cc1cn(-c2nccc3ccccc32)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163438517 1069455730 /nfs/dbraw/zinc/45/57/30/1069455730.db2.gz CVUJYVDFFOQXKN-OALUTQOASA-N 1 3 466.546 -0.494 20 0 JBADHO NC(=O)CNC(=O)[C@H](Cc1cn(-c2cnc(-c3ccccc3)cn2)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163438519 1069455772 /nfs/dbraw/zinc/45/57/72/1069455772.db2.gz KFZHAVSNDGTTML-OALUTQOASA-N 1 3 493.572 -0.586 20 0 JBADHO Cc1nc2cc(F)ccc2c(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163438520 1069455655 /nfs/dbraw/zinc/45/56/55/1069455655.db2.gz CYNAIJWVXMXLBN-HKUYNNGSSA-N 1 3 499.551 -0.652 20 0 JBADHO COc1cccc2c1ccnc2-n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163438522 1069455694 /nfs/dbraw/zinc/45/56/94/1069455694.db2.gz KIXPDXRRBSNXLZ-OALUTQOASA-N 1 3 496.572 -0.486 20 0 JBADHO Cc1nc2sccc2c(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163438523 1069455548 /nfs/dbraw/zinc/45/55/48/1069455548.db2.gz CZYPPKQCXNCPHA-HOTGVXAUSA-N 1 3 487.590 -0.729 20 0 JBADHO COc1cc(Cl)cnc1-n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163438542 1069455852 /nfs/dbraw/zinc/45/58/52/1069455852.db2.gz DRQBUTSUHJZROZ-GJZGRUSLSA-N 1 3 480.957 -0.986 20 0 JBADHO NC(=O)CNC(=O)[C@H](Cc1cn(-c2nccc3occc32)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163438545 1069455808 /nfs/dbraw/zinc/45/58/08/1069455808.db2.gz DTQYOMBINNYSJG-HOTGVXAUSA-N 1 3 456.507 -0.901 20 0 JBADHO Cc1cccc2ccc(-n3cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c3)nc12 ZINC001163438548 1069455839 /nfs/dbraw/zinc/45/58/39/1069455839.db2.gz DZBZWPZGEPFGHY-OALUTQOASA-N 1 3 480.573 -0.186 20 0 JBADHO Cc1ccc2ncnc(-n3cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c3)c2c1 ZINC001163438553 1069455528 /nfs/dbraw/zinc/45/55/28/1069455528.db2.gz FEYZATNLRUEJIR-HKUYNNGSSA-N 1 3 481.561 -0.791 20 0 JBADHO Cc1ccc2ccnc(-n3cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c3)c2c1 ZINC001163438696 1069455599 /nfs/dbraw/zinc/45/55/99/1069455599.db2.gz KQKGRVRRLDXSBO-PMACEKPBSA-N 1 3 480.573 -0.186 20 0 JBADHO NC(=O)CNC(=O)[C@H](Cc1cn(-c2ncc3cc(F)ccc3n2)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163438716 1069455672 /nfs/dbraw/zinc/45/56/72/1069455672.db2.gz LDZGWWLXIVGPGL-WMZOPIPTSA-N 1 3 485.524 -0.960 20 0 JBADHO Cc1ccc2nc(-n3cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c3)ncc2c1 ZINC001163438721 1069455754 /nfs/dbraw/zinc/45/57/54/1069455754.db2.gz LGVZQUPIPHYYOQ-HKUYNNGSSA-N 1 3 481.561 -0.791 20 0 JBADHO CSc1ccnc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)c1 ZINC001163438722 1069455862 /nfs/dbraw/zinc/45/58/62/1069455862.db2.gz LIBIZHNBPQQANB-HOTGVXAUSA-N 1 3 462.580 -0.926 20 0 JBADHO Cc1cc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)nc2ccccc12 ZINC001163438774 1069455824 /nfs/dbraw/zinc/45/58/24/1069455824.db2.gz LZLHISBVYXYCNZ-ICSRJNTNSA-N 1 3 480.573 -0.186 20 0 JBADHO Cc1csc2ncnc(-n3cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c3)c12 ZINC001163438777 1069455715 /nfs/dbraw/zinc/45/57/15/1069455715.db2.gz GOMJMYZYJBTDFS-GJZGRUSLSA-N 1 3 487.590 -0.729 20 0 JBADHO NC(=O)CNC(=O)[C@H](Cc1cn(-c2cccc(C3CC3)n2)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163438778 1069455633 /nfs/dbraw/zinc/45/56/33/1069455633.db2.gz MAHDXQWDMBLREJ-WMZOPIPTSA-N 1 3 456.551 -0.770 20 0 JBADHO NC(=O)CNC(=O)[C@H](Cc1cn(-c2nccc3ccc(F)cc32)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163438784 1069455786 /nfs/dbraw/zinc/45/57/86/1069455786.db2.gz MARSZDKJJHUQTD-OALUTQOASA-N 1 3 484.536 -0.355 20 0 JBADHO NC(=O)CNC(=O)[C@H](Cc1cn(-c2ncc(F)c3ccccc32)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163438806 1069456603 /nfs/dbraw/zinc/45/66/03/1069456603.db2.gz MJCCKXIAKOQJLV-OALUTQOASA-N 1 3 484.536 -0.355 20 0 JBADHO NC(=O)CNC(=O)[C@H](Cc1cn(-c2ncc(Cl)cc2F)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163438831 1069455582 /nfs/dbraw/zinc/45/55/82/1069455582.db2.gz GVHXUVKPITYUDB-GJZGRUSLSA-N 1 3 468.921 -0.855 20 0 JBADHO CSc1cccc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163438832 1069456472 /nfs/dbraw/zinc/45/64/72/1069456472.db2.gz MQMDOQLLGNKEGR-GJZGRUSLSA-N 1 3 462.580 -0.926 20 0 JBADHO COc1nc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)ccc1Cl ZINC001163438836 1069456291 /nfs/dbraw/zinc/45/62/91/1069456291.db2.gz MRUFRICEUKTPDL-GJZGRUSLSA-N 1 3 480.957 -0.986 20 0 JBADHO COc1ccc(Cl)c(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163438845 1069456480 /nfs/dbraw/zinc/45/64/80/1069456480.db2.gz MXGRJBAHICKSMC-GJZGRUSLSA-N 1 3 480.957 -0.986 20 0 JBADHO CCSc1ccnc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)c1 ZINC001163438855 1069456330 /nfs/dbraw/zinc/45/63/30/1069456330.db2.gz NEBRLPGOMGWAKW-IRXDYDNUSA-N 1 3 476.607 -0.536 20 0 JBADHO NC(=O)CNC(=O)[C@H](Cc1cn(-c2nccc3ccsc32)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163438859 1069456543 /nfs/dbraw/zinc/45/65/43/1069456543.db2.gz HHRTUXAKINYTBD-HOTGVXAUSA-N 1 3 472.575 -0.433 20 0 JBADHO Cc1ccc2nc(-n3cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c3)ccc2c1 ZINC001163438873 1069456307 /nfs/dbraw/zinc/45/63/07/1069456307.db2.gz HMGMXXSOFDLVRR-ICSRJNTNSA-N 1 3 480.573 -0.186 20 0 JBADHO Cc1ccc(Cl)nc1-n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163438877 1069456457 /nfs/dbraw/zinc/45/64/57/1069456457.db2.gz HNUAAOQOQTYQCE-GJZGRUSLSA-N 1 3 464.958 -0.686 20 0 JBADHO Cc1nc2ccc(F)cc2c(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163438882 1069456501 /nfs/dbraw/zinc/45/65/01/1069456501.db2.gz HTAGNSVZBLVBAC-HKUYNNGSSA-N 1 3 499.551 -0.652 20 0 JBADHO NC(=O)CNC(=O)[C@H](Cc1cn(-c2ccc3cccc(F)c3n2)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163438904 1069456351 /nfs/dbraw/zinc/45/63/51/1069456351.db2.gz ONSKNPPMQPBZNG-ROUUACIJSA-N 1 3 484.536 -0.355 20 0 JBADHO NC(=O)CNC(=O)[C@H](Cc1cn(-c2nc(Cl)cc(C3CC3)n2)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163438912 1069456574 /nfs/dbraw/zinc/45/65/74/1069456574.db2.gz OUHSMCSWJXVSNF-HOCLYGCPSA-N 1 3 491.984 -0.722 20 0 JBADHO NC(=O)CNC(=O)[C@H](Cc1cn(-c2cc(Cl)cc(Cl)n2)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163438914 1069456439 /nfs/dbraw/zinc/45/64/39/1069456439.db2.gz IJWUMBQBKDBUGZ-KBPBESRZSA-N 1 3 485.376 -0.341 20 0 JBADHO COc1ccc2c(ccnc2-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)c1 ZINC001163438915 1069456559 /nfs/dbraw/zinc/45/65/59/1069456559.db2.gz IKEJRVMYALIGQS-PMACEKPBSA-N 1 3 496.572 -0.486 20 0 JBADHO NC(=O)CNC(=O)[C@H](Cc1cn(-c2cc(C3CC3)ccn2)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163438918 1069456590 /nfs/dbraw/zinc/45/65/90/1069456590.db2.gz OVCDECSDCQBIFE-ROUUACIJSA-N 1 3 456.551 -0.770 20 0 JBADHO NC(=O)CNC(=O)[C@H](Cc1cn(-c2nc(Cl)ncc2Cl)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163438924 1069456515 /nfs/dbraw/zinc/45/65/15/1069456515.db2.gz IQEPJRDWJYZEIP-STQMWFEESA-N 1 3 486.364 -0.946 20 0 JBADHO NC(=O)CNC(=O)[C@H](Cc1cn(-c2ccnc(-c3ccccc3)n2)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163438929 1069456528 /nfs/dbraw/zinc/45/65/28/1069456528.db2.gz IXERAPHYZXGWBS-OALUTQOASA-N 1 3 493.572 -0.586 20 0 JBADHO Cc1ccnc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)c1Cl ZINC001163438932 1069456366 /nfs/dbraw/zinc/45/63/66/1069456366.db2.gz JAIGNNALHMKSNZ-GJZGRUSLSA-N 1 3 464.958 -0.686 20 0 JBADHO Cc1cc2ccccc2nc1-n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163438937 1069457143 /nfs/dbraw/zinc/45/71/43/1069457143.db2.gz JJOQRWAASHXSTC-ICSRJNTNSA-N 1 3 480.573 -0.186 20 0 JBADHO Cc1cc(Cl)cc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163438945 1069457119 /nfs/dbraw/zinc/45/71/19/1069457119.db2.gz JUVDXHCGCLCXBN-HOTGVXAUSA-N 1 3 464.958 -0.686 20 0 JBADHO Cc1nc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)nc2ccccc12 ZINC001163438951 1069457075 /nfs/dbraw/zinc/45/70/75/1069457075.db2.gz KJBPBJNHHSTVQZ-HKUYNNGSSA-N 1 3 481.561 -0.791 20 0 JBADHO COc1cc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)nc2ccccc21 ZINC001163439122 1069456417 /nfs/dbraw/zinc/45/64/17/1069456417.db2.gz PCLCYCUKXPAIKJ-HKUYNNGSSA-N 1 3 496.572 -0.486 20 0 JBADHO CCCCc1cc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)ncn1 ZINC001163439125 1069456399 /nfs/dbraw/zinc/45/63/99/1069456399.db2.gz PDLIHQCRBNWPFZ-ROUUACIJSA-N 1 3 473.582 -0.910 20 0 JBADHO CC(C)Sc1ccc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)nn1 ZINC001163439144 1069457154 /nfs/dbraw/zinc/45/71/54/1069457154.db2.gz PPDPBDKGMBSYDU-HOTGVXAUSA-N 1 3 491.622 -0.752 20 0 JBADHO NC(=O)CNC(=O)[C@H](Cc1cn(-c2cc(-c3cccs3)ncn2)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163439146 1069457090 /nfs/dbraw/zinc/45/70/90/1069457090.db2.gz PQMQZUFZZPJCBP-RDJZCZTQSA-N 1 3 499.601 -0.524 20 0 JBADHO Cc1cc2ncnc(-n3cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c3)c2cc1C ZINC001163439166 1069457262 /nfs/dbraw/zinc/45/72/62/1069457262.db2.gz QBFOEAMFBFDFLV-ICSRJNTNSA-N 1 3 495.588 -0.483 20 0 JBADHO CCCSc1cncc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163439178 1069457223 /nfs/dbraw/zinc/45/72/23/1069457223.db2.gz QDDXPWHZRUCMCH-HOTGVXAUSA-N 1 3 491.622 -0.751 20 0 JBADHO COc1ccc(Cl)nc1-n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163439236 1069457001 /nfs/dbraw/zinc/45/70/01/1069457001.db2.gz QMLLMUSSYQRIBM-KBPBESRZSA-N 1 3 480.957 -0.986 20 0 JBADHO Cc1nc(Cl)nc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)c1C ZINC001163439244 1069457249 /nfs/dbraw/zinc/45/72/49/1069457249.db2.gz MCYVGOIRDRSKRM-GJZGRUSLSA-N 1 3 479.973 -0.982 20 0 JBADHO NC(=O)CNC(=O)[C@H](Cc1cn(-c2cc(Cl)nc(C3CC3)n2)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163439249 1069457197 /nfs/dbraw/zinc/45/71/97/1069457197.db2.gz MFBVNFRKIAELLJ-GJZGRUSLSA-N 1 3 491.984 -0.722 20 0 JBADHO NC(=O)CNC(=O)[C@H](Cc1cn(-c2ccc(-c3ccncc3)cn2)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163439262 1069457185 /nfs/dbraw/zinc/45/71/85/1069457185.db2.gz QWKPJACHOOYCBY-PMACEKPBSA-N 1 3 493.572 -0.586 20 0 JBADHO Cc1ccc(Cl)c(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163439267 1069456951 /nfs/dbraw/zinc/45/69/51/1069456951.db2.gz MIHPFBIBOMVSIO-HOTGVXAUSA-N 1 3 464.958 -0.686 20 0 JBADHO CCOc1cc(Cl)nc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)c1 ZINC001163439271 1069457212 /nfs/dbraw/zinc/45/72/12/1069457212.db2.gz RAHJUGYYKRVUMH-HOTGVXAUSA-N 1 3 494.984 -0.596 20 0 JBADHO NC(=O)CNC(=O)[C@H](Cc1cn(-c2cc(Cl)ncc2F)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163439274 1069456981 /nfs/dbraw/zinc/45/69/81/1069456981.db2.gz RAPJSKAPBNMGQZ-KBPBESRZSA-N 1 3 468.921 -0.855 20 0 JBADHO CC(C)(C)c1cc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)ncn1 ZINC001163439275 1069457133 /nfs/dbraw/zinc/45/71/33/1069457133.db2.gz RAQFOUOTFLNBNI-HOTGVXAUSA-N 1 3 473.582 -0.955 20 0 JBADHO CSc1ncc(Cl)nc1-n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163439280 1069457052 /nfs/dbraw/zinc/45/70/52/1069457052.db2.gz RCKCYVAVCCGMFR-STQMWFEESA-N 1 3 498.013 -0.877 20 0 JBADHO CSc1cccnc1-n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163439282 1069457171 /nfs/dbraw/zinc/45/71/71/1069457171.db2.gz REIKEMVEOBEMGB-GJZGRUSLSA-N 1 3 462.580 -0.926 20 0 JBADHO CC(C)Oc1cccc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163439298 1069457235 /nfs/dbraw/zinc/45/72/35/1069457235.db2.gz RJHSQDQEZHLAAV-IRXDYDNUSA-N 1 3 474.566 -0.860 20 0 JBADHO NC(=O)CNC(=O)[C@H](Cc1cn(-c2nnc(Cl)cc2Cl)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163439335 1069457776 /nfs/dbraw/zinc/45/77/76/1069457776.db2.gz NJJJDDFFWYGULR-STQMWFEESA-N 1 3 486.364 -0.946 20 0 JBADHO Cc1cc2ccncc2nc1-n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163439345 1069457106 /nfs/dbraw/zinc/45/71/06/1069457106.db2.gz RUZULTNTDJCORS-ROUUACIJSA-N 1 3 481.561 -0.791 20 0 JBADHO CCOc1ccc(Cl)nc1-n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163439360 1069457812 /nfs/dbraw/zinc/45/78/12/1069457812.db2.gz SGTJZRIURWKHHU-GJZGRUSLSA-N 1 3 494.984 -0.596 20 0 JBADHO NC(=O)CNC(=O)[C@H](Cc1cn(-c2cc(Cl)ccn2)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163439388 1069457753 /nfs/dbraw/zinc/45/77/53/1069457753.db2.gz NYRCBFUWBUGFPL-GJZGRUSLSA-N 1 3 450.931 -0.994 20 0 JBADHO CSc1ccnc(Cl)c1-n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163439395 1069457731 /nfs/dbraw/zinc/45/77/31/1069457731.db2.gz STASKHMURWGMHZ-KBPBESRZSA-N 1 3 497.025 -0.272 20 0 JBADHO CSc1cc(Cl)ncc1-n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163439408 1069457830 /nfs/dbraw/zinc/45/78/30/1069457830.db2.gz OAEOTZMZYBRMSB-KBPBESRZSA-N 1 3 497.025 -0.272 20 0 JBADHO Cc1cc2c(ncnc2-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)s1 ZINC001163439438 1069457703 /nfs/dbraw/zinc/45/77/03/1069457703.db2.gz OSPZUMMLBDOBPJ-HOTGVXAUSA-N 1 3 487.590 -0.729 20 0 JBADHO NC(=O)CNC(=O)[C@H](Cc1cn(-c2ccc(Cl)cn2)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163439449 1069457784 /nfs/dbraw/zinc/45/77/84/1069457784.db2.gz PAPMPMPBCKZQJB-GJZGRUSLSA-N 1 3 450.931 -0.994 20 0 JBADHO NC(=O)CNC(=O)[C@H](Cc1cn(-c2ncnc3c(F)cccc32)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163439456 1069457689 /nfs/dbraw/zinc/45/76/89/1069457689.db2.gz PGZHWFMODVMSCJ-IRXDYDNUSA-N 1 3 485.524 -0.960 20 0 JBADHO Cc1nc(Cl)cc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)c1C ZINC001163439540 1069457821 /nfs/dbraw/zinc/45/78/21/1069457821.db2.gz USXDFPINKPTXSM-HOTGVXAUSA-N 1 3 478.985 -0.377 20 0 JBADHO CCc1nc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)c(Cl)nc1C ZINC001163439542 1069457716 /nfs/dbraw/zinc/45/77/16/1069457716.db2.gz UUBIMQQGLGYZDX-HOCLYGCPSA-N 1 3 494.000 -0.728 20 0 JBADHO CSc1nc(Cl)ncc1-n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163439545 1069457723 /nfs/dbraw/zinc/45/77/23/1069457723.db2.gz UWUJLEXRPVUWKV-STQMWFEESA-N 1 3 498.013 -0.877 20 0 JBADHO CC(C)(C)c1ccc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)nc1 ZINC001163439572 1069457836 /nfs/dbraw/zinc/45/78/36/1069457836.db2.gz VTGIVVDNWAXWAF-ROUUACIJSA-N 1 3 472.594 -0.350 20 0 JBADHO COc1ccc2cnc(-n3cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c3)cc2c1 ZINC001163439618 1069457799 /nfs/dbraw/zinc/45/77/99/1069457799.db2.gz WRVUVBSMAPCHFO-PMACEKPBSA-N 1 3 496.572 -0.486 20 0 JBADHO CC(C)COc1cccc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163439620 1069457806 /nfs/dbraw/zinc/45/78/06/1069457806.db2.gz WRWJBCKATJUEPN-ROUUACIJSA-N 1 3 488.593 -0.613 20 0 JBADHO Cc1cc2ncnc(-n3cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c3)c2s1 ZINC001163439646 1069457737 /nfs/dbraw/zinc/45/77/37/1069457737.db2.gz XIFAYRGOKZHLJG-HOCLYGCPSA-N 1 3 487.590 -0.729 20 0 JBADHO Cc1nc2ccsc2c(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163439650 1069457844 /nfs/dbraw/zinc/45/78/44/1069457844.db2.gz QQPAUAAMWKSXGB-HOCLYGCPSA-N 1 3 487.590 -0.729 20 0 JBADHO Cc1nc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)c(Cl)cc1Cl ZINC001163439651 1069457763 /nfs/dbraw/zinc/45/77/63/1069457763.db2.gz XNWLFRPXIPZUBB-HOTGVXAUSA-N 1 3 499.403 -0.032 20 0 JBADHO Cc1cc(C(C)C)nc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163439656 1069457769 /nfs/dbraw/zinc/45/77/69/1069457769.db2.gz XQHXORIPXLOOTK-WMZOPIPTSA-N 1 3 473.582 -0.821 20 0 JBADHO NC(=O)CNC(=O)[C@H](Cc1cn(-c2ncnc3cc(F)ccc32)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163439678 1069457792 /nfs/dbraw/zinc/45/77/92/1069457792.db2.gz RECJLKPHCOUDJZ-WMZOPIPTSA-N 1 3 485.524 -0.960 20 0 JBADHO NC(=O)CNC(=O)[C@H](Cc1cn(-c2nccc3c(F)cccc32)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163439687 1069458534 /nfs/dbraw/zinc/45/85/34/1069458534.db2.gz YEGMYHMVBFIQBW-OALUTQOASA-N 1 3 484.536 -0.355 20 0 JBADHO Cc1cccc2ncnc(-n3cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c3)c12 ZINC001163439708 1069458412 /nfs/dbraw/zinc/45/84/12/1069458412.db2.gz YTZFTDDMKHDHGR-WMZOPIPTSA-N 1 3 481.561 -0.791 20 0 JBADHO NC(=O)CNC(=O)[C@H](Cc1cn(-c2ccc(-c3cccs3)nn2)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163439709 1069458497 /nfs/dbraw/zinc/45/84/97/1069458497.db2.gz YWBQBYGEYOJUKD-RDJZCZTQSA-N 1 3 499.601 -0.524 20 0 JBADHO Cc1ccc(-c2ccc(-n3cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c3)nn2)o1 ZINC001163439713 1069458542 /nfs/dbraw/zinc/45/85/42/1069458542.db2.gz YXWPURKFDFALJP-WMZOPIPTSA-N 1 3 497.560 -0.684 20 0 JBADHO COc1cc(Cl)nc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)c1 ZINC001163439718 1069458459 /nfs/dbraw/zinc/45/84/59/1069458459.db2.gz RUOMVFFAHJYDDJ-GJZGRUSLSA-N 1 3 480.957 -0.986 20 0 JBADHO Cc1nc(Cl)c(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)nc1C ZINC001163439754 1069458397 /nfs/dbraw/zinc/45/83/97/1069458397.db2.gz ZYJSPQKUYBUNDU-GJZGRUSLSA-N 1 3 479.973 -0.982 20 0 JBADHO NC(=O)CNC(=O)[C@H](Cc1cn(-c2cccc(Cl)n2)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163439755 1069458517 /nfs/dbraw/zinc/45/85/17/1069458517.db2.gz SRMFQFGXWXZQLB-KBPBESRZSA-N 1 3 450.931 -0.994 20 0 JBADHO Cc1nc(C)c(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)c(Cl)n1 ZINC001163439767 1069458508 /nfs/dbraw/zinc/45/85/08/1069458508.db2.gz UAWLGGCOPLSJMO-GJZGRUSLSA-N 1 3 479.973 -0.982 20 0 JBADHO NC(=O)CNC(=O)[C@H](Cc1cn(-c2cc(Cl)nc3c2CCC3)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163439781 1069458466 /nfs/dbraw/zinc/45/84/66/1069458466.db2.gz UOOACTALRUQQGV-RDJZCZTQSA-N 1 3 490.996 -0.506 20 0 JBADHO Cc1cnc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)c(Cl)c1 ZINC001163439786 1069458447 /nfs/dbraw/zinc/45/84/47/1069458447.db2.gz UWANMGMXNSLHBN-HOTGVXAUSA-N 1 3 464.958 -0.686 20 0 JBADHO CSc1nc(Cl)cc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163439787 1069458563 /nfs/dbraw/zinc/45/85/63/1069458563.db2.gz UZTYTZMNHBWJBX-STQMWFEESA-N 1 3 498.013 -0.877 20 0 JBADHO NC(=O)CNC(=O)[C@H](Cc1cn(-c2ncnc3ccc(F)cc32)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163439799 1069458525 /nfs/dbraw/zinc/45/85/25/1069458525.db2.gz VJTZGDZPJMECAH-WMZOPIPTSA-N 1 3 485.524 -0.960 20 0 JBADHO NC(=O)CNC(=O)[C@H](Cc1cn(-c2ccc3ccccc3n2)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163439800 1069458368 /nfs/dbraw/zinc/45/83/68/1069458368.db2.gz VLYJUBIMCFDMJM-HKUYNNGSSA-N 1 3 466.546 -0.494 20 0 JBADHO NC(=O)CNC(=O)[C@H](Cc1cn(-c2nccc3ccoc32)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163439802 1069458557 /nfs/dbraw/zinc/45/85/57/1069458557.db2.gz VMSSEVJHCMLNJM-HOTGVXAUSA-N 1 3 456.507 -0.901 20 0 JBADHO NC(=O)CNC(=O)[C@H](Cc1cn(-c2nc(Cl)ccc2Cl)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163439805 1069458550 /nfs/dbraw/zinc/45/85/50/1069458550.db2.gz VPYGQTPPFYUNSL-KBPBESRZSA-N 1 3 485.376 -0.341 20 0 JBADHO Cc1nc2ccccc2c(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163439809 1069458435 /nfs/dbraw/zinc/45/84/35/1069458435.db2.gz VTGXPNROQQKDPP-HKUYNNGSSA-N 1 3 481.561 -0.791 20 0 JBADHO COc1cc(Cl)ncc1-n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163439819 1069458352 /nfs/dbraw/zinc/45/83/52/1069458352.db2.gz WFZURAAQLUDXON-KBPBESRZSA-N 1 3 480.957 -0.986 20 0 JBADHO NC(=O)CNC(=O)[C@H](Cc1cn(-c2nc(Cl)nc3ccoc32)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163439822 1069458422 /nfs/dbraw/zinc/45/84/22/1069458422.db2.gz WGQYSKRZHNAUFV-JSGCOSHPSA-N 1 3 491.940 -0.853 20 0 JBADHO NC(=O)CNC(=O)[C@H](Cc1cn(-c2ccc(-c3ccccc3)nn2)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163439825 1069458484 /nfs/dbraw/zinc/45/84/84/1069458484.db2.gz WISJQMOSPINZOR-ICSRJNTNSA-N 1 3 493.572 -0.586 20 0 JBADHO CSc1ncc(Cl)c(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163439838 1069458384 /nfs/dbraw/zinc/45/83/84/1069458384.db2.gz XDLZWHBRRKXQFT-KBPBESRZSA-N 1 3 498.013 -0.877 20 0 JBADHO COc1ccc2nc(-n3cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c3)ccc2c1 ZINC001163439859 1069459047 /nfs/dbraw/zinc/45/90/47/1069459047.db2.gz YCJGNQCTKZCTGD-ICSRJNTNSA-N 1 3 496.572 -0.486 20 0 JBADHO NC(=O)CNC(=O)[C@H](Cc1cn(-c2ccc3c(n2)CCCC3)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163439862 1069459219 /nfs/dbraw/zinc/45/92/19/1069459219.db2.gz YGLZRMLLBIISTA-HKUYNNGSSA-N 1 3 470.578 -0.769 20 0 JBADHO Cc1cccc2ncc(-n3cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c3)nc12 ZINC001163439866 1069459169 /nfs/dbraw/zinc/45/91/69/1069459169.db2.gz YQNSJQIMWRFPAO-WMZOPIPTSA-N 1 3 481.561 -0.791 20 0 JBADHO COc1cccc2ccc(-n3cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c3)nc21 ZINC001163439878 1069459082 /nfs/dbraw/zinc/45/90/82/1069459082.db2.gz ZMJSAIUVPUNFTP-ROUUACIJSA-N 1 3 496.572 -0.486 20 0 JBADHO NC(=O)CNC(=O)[C@H](Cc1cn(-c2cnc(-c3ccco3)cn2)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163439888 1069459184 /nfs/dbraw/zinc/45/91/84/1069459184.db2.gz ZZZICFLOXSXKEO-HOTGVXAUSA-N 1 3 483.533 -0.993 20 0 JBADHO NS(=O)(=O)c1c(NC(=[NH2+])NCCCC[NH3+])ccc(I)c1-c1nnn[n-]1 ZINC001167878693 1067731001 /nfs/dbraw/zinc/73/10/01/1067731001.db2.gz OGQOZFPKOUNRPB-UHFFFAOYSA-N 1 3 479.308 -0.206 20 0 JBADHO COc1ccc2c(c1)C[C@H](n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1)C2 ZINC001168259069 1067951284 /nfs/dbraw/zinc/95/12/84/1067951284.db2.gz IPGPKNISVVRLOW-GIVPXCGWSA-N 1 3 485.589 -0.683 20 0 JBADHO COc1ccc2c(c1)C[C@@H](n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1)C2 ZINC001168259070 1067951247 /nfs/dbraw/zinc/95/12/47/1067951247.db2.gz IPGPKNISVVRLOW-JBACZVJFSA-N 1 3 485.589 -0.683 20 0 JBADHO NC(=O)CNC(=O)[C@H](Cc1cn([C@H]2CCc3cc(F)ccc3C2)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001168421251 1068063509 /nfs/dbraw/zinc/06/35/09/1068063509.db2.gz QIWVBMULNCRGPZ-ACRUOGEOSA-N 1 3 487.580 -0.163 20 0 JBADHO NC(=O)CNC(=O)[C@H](Cc1cn([C@@H]2CCc3cc(F)ccc3C2)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001168421254 1068063654 /nfs/dbraw/zinc/06/36/54/1068063654.db2.gz QIWVBMULNCRGPZ-HKBOAZHASA-N 1 3 487.580 -0.163 20 0 JBADHO C[C@H](Cc1cccc(F)c1)n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001168473951 1068082924 /nfs/dbraw/zinc/08/29/24/1068082924.db2.gz JGGFQRXNERYDMO-XPGWFJOJSA-N 1 3 475.569 -0.089 20 0 JBADHO C[C@@H](Cc1cccc(F)c1)n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001168473952 1068083000 /nfs/dbraw/zinc/08/30/00/1068083000.db2.gz JGGFQRXNERYDMO-YSSFQJQWSA-N 1 3 475.569 -0.089 20 0 JBADHO NC(=O)CNC(=O)[C@H](Cc1cn([C@@H]2Cc3cccc(Cl)c3C2)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001168718055 1068412394 /nfs/dbraw/zinc/41/23/94/1068412394.db2.gz LJXYDYWPUKKOPQ-UXPWSPDFSA-N 1 3 490.008 -0.039 20 0 JBADHO NC(=O)CNC(=O)[C@H](Cc1cn([C@H]2Cc3cccc(Cl)c3C2)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001168718063 1068412355 /nfs/dbraw/zinc/41/23/55/1068412355.db2.gz LJXYDYWPUKKOPQ-VDGAXYAQSA-N 1 3 490.008 -0.039 20 0 JBADHO COC(=O)C1(C)CCC(n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)CC1 ZINC001168772748 1068481954 /nfs/dbraw/zinc/48/19/54/1068481954.db2.gz OJGCEFHEXAOANG-QKBUSNMPSA-N 1 3 493.609 -0.737 20 0 JBADHO CCOC(=O)[C@H]1CC[C@@H](N[C@@H](CCCC[NH3+])C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)C(C)C)CO1 ZINC001169371281 1068500050 /nfs/dbraw/zinc/50/00/50/1068500050.db2.gz LGJQCAUQKATCTB-CXQPBAHBSA-N 1 3 497.637 -0.199 20 0 JBADHO CCOC(=O)[C@@H]1CC[C@@H](N[C@@H](CCCC[NH3+])C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)C(C)C)CO1 ZINC001169371285 1068500011 /nfs/dbraw/zinc/50/00/11/1068500011.db2.gz LGJQCAUQKATCTB-DEPCRRQNSA-N 1 3 497.637 -0.199 20 0 JBADHO CCOC(=O)[C@H]1CC[C@H](N[C@@H](CCCC[NH3+])C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)C(C)C)CO1 ZINC001169371287 1068499853 /nfs/dbraw/zinc/49/98/53/1068499853.db2.gz LGJQCAUQKATCTB-FSGKZVOOSA-N 1 3 497.637 -0.199 20 0 JBADHO CCOC(=O)[C@@H]1CC[C@H](N[C@@H](CCCC[NH3+])C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)C(C)C)CO1 ZINC001169371288 1068499951 /nfs/dbraw/zinc/49/99/51/1068499951.db2.gz LGJQCAUQKATCTB-HVTWWXFQSA-N 1 3 497.637 -0.199 20 0 JBADHO CC(=O)N1CC[C@H](N[C@@H](CCCC[NH3+])C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)C(C)C)C1 ZINC001169534732 1068501399 /nfs/dbraw/zinc/50/13/99/1068501399.db2.gz OPIOEGODHUCTSX-VJANTYMQSA-N 1 3 452.600 -0.689 20 0 JBADHO CC(=O)N1CC[C@@H](N[C@@H](CCCC[NH3+])C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)C(C)C)C1 ZINC001169534734 1068501215 /nfs/dbraw/zinc/50/12/15/1068501215.db2.gz OPIOEGODHUCTSX-XWSJACJDSA-N 1 3 452.600 -0.689 20 0 JBADHO CC(=O)N1CCC[C@@H](N[C@@H](CCCC[NH3+])C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)C(C)C)C1 ZINC001169593493 1068501846 /nfs/dbraw/zinc/50/18/46/1068501846.db2.gz FLJUUTJEVQXOIO-FYQPLNBISA-N 1 3 466.627 -0.298 20 0 JBADHO CC(=O)N1CCC[C@H](N[C@@H](CCCC[NH3+])C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)C(C)C)C1 ZINC001169593499 1068501869 /nfs/dbraw/zinc/50/18/69/1068501869.db2.gz FLJUUTJEVQXOIO-MUGJNUQGSA-N 1 3 466.627 -0.298 20 0 JBADHO CC1(C)CC(n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)CC(C)(C)N1O ZINC001169988463 1068507300 /nfs/dbraw/zinc/50/73/00/1068507300.db2.gz WEIBPMQYFSBQEI-ROUUACIJSA-N 1 3 494.641 -0.449 20 0 JBADHO CC[C@@H]1C[C@H](n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)CCO1 ZINC001170201191 1068515792 /nfs/dbraw/zinc/51/57/92/1068515792.db2.gz BOFCFLQLHGRKPL-BDXSIMOUSA-N 1 3 451.572 -0.902 20 0 JBADHO CC[C@@H]1C[C@@H](n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)CCO1 ZINC001170201192 1068516062 /nfs/dbraw/zinc/51/60/62/1068516062.db2.gz BOFCFLQLHGRKPL-MHORFTMASA-N 1 3 451.572 -0.902 20 0 JBADHO CC[C@H]1C[C@H](n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)CCO1 ZINC001170201193 1068516179 /nfs/dbraw/zinc/51/61/79/1068516179.db2.gz BOFCFLQLHGRKPL-OWSLCNJRSA-N 1 3 451.572 -0.902 20 0 JBADHO CC[C@H]1C[C@@H](n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)CCO1 ZINC001170201194 1068516202 /nfs/dbraw/zinc/51/62/02/1068516202.db2.gz BOFCFLQLHGRKPL-XSLAGTTESA-N 1 3 451.572 -0.902 20 0 JBADHO NC(=O)CNC(=O)[C@H](Cc1cn([C@@H]2CCc3cccc(F)c3C2)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001170973251 1068558345 /nfs/dbraw/zinc/55/83/45/1068558345.db2.gz BGJRDNOIMOTJAE-QMMLZNLJSA-N 1 3 487.580 -0.163 20 0 JBADHO NC(=O)CNC(=O)[C@H](Cc1cn([C@H]2CCc3cccc(F)c3C2)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001170973255 1068558537 /nfs/dbraw/zinc/55/85/37/1068558537.db2.gz BGJRDNOIMOTJAE-YYWHXJBOSA-N 1 3 487.580 -0.163 20 0 JBADHO COc1ccc(CN2CC[NH+](C)CC2)cc1Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2N)c(=O)n1 ZINC001171267292 1068598915 /nfs/dbraw/zinc/59/89/15/1068598915.db2.gz WTPFNXXWNHSTLR-CWJKEVGVSA-N 1 3 460.535 -0.845 20 0 JBADHO NC(=O)CNC(=O)[C@H](Cc1cn([C@@H]2CCc3c(F)cccc3C2)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001171417797 1068630072 /nfs/dbraw/zinc/63/00/72/1068630072.db2.gz FELOSNVJMOTFHQ-QMMLZNLJSA-N 1 3 487.580 -0.163 20 0 JBADHO NC(=O)CNC(=O)[C@H](Cc1cn([C@H]2CCc3c(F)cccc3C2)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001171417798 1068630020 /nfs/dbraw/zinc/63/00/20/1068630020.db2.gz FELOSNVJMOTFHQ-YYWHXJBOSA-N 1 3 487.580 -0.163 20 0 JBADHO NC(=O)CNC(=O)[C@H](Cc1cn([C@@H]2Cc3cccc(F)c3C2)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001171790626 1068632682 /nfs/dbraw/zinc/63/26/82/1068632682.db2.gz OXFHMSLVVKVFFF-UXPWSPDFSA-N 1 3 473.553 -0.553 20 0 JBADHO NC(=O)CNC(=O)[C@H](Cc1cn([C@H]2Cc3cccc(F)c3C2)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001171790627 1068632812 /nfs/dbraw/zinc/63/28/12/1068632812.db2.gz OXFHMSLVVKVFFF-VDGAXYAQSA-N 1 3 473.553 -0.553 20 0 JBADHO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])N[C@@H]1CCN(C2CC2)C(=O)C1)C(N)=O ZINC001172017716 1068634127 /nfs/dbraw/zinc/63/41/27/1068634127.db2.gz YVLTWGMORLIMBK-SAJDGTNDSA-N 1 3 478.638 -0.156 20 0 JBADHO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])N[C@H]1CCN(C2CC2)C(=O)C1)C(N)=O ZINC001172017718 1068634196 /nfs/dbraw/zinc/63/41/96/1068634196.db2.gz YVLTWGMORLIMBK-WBKMXMRLSA-N 1 3 478.638 -0.156 20 0 JBADHO CCN1CC[C@H](N[C@@H](CCCC[NH3+])C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)C(C)C)CC1=O ZINC001172043300 1068634069 /nfs/dbraw/zinc/63/40/69/1068634069.db2.gz PAUJXTQDXOUFEJ-JPLJXNOCSA-N 1 3 466.627 -0.298 20 0 JBADHO CCN1CC[C@@H](N[C@@H](CCCC[NH3+])C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)C(C)C)CC1=O ZINC001172043309 1068634912 /nfs/dbraw/zinc/63/49/12/1068634912.db2.gz PAUJXTQDXOUFEJ-LXZJYRNTSA-N 1 3 466.627 -0.298 20 0 JBADHO NC(=O)CNC(=O)[C@H](Cc1cn([C@@H]2CSc3ccccc3C2)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001172192645 1068635872 /nfs/dbraw/zinc/63/58/72/1068635872.db2.gz GEZCAVJRYGOMGM-FHWLQOOXSA-N 1 3 487.630 -0.142 20 0 JBADHO NC(=O)CNC(=O)[C@H](Cc1cn([C@H]2CSc3ccccc3C2)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001172192647 1068635837 /nfs/dbraw/zinc/63/58/37/1068635837.db2.gz GEZCAVJRYGOMGM-QYZOEREBSA-N 1 3 487.630 -0.142 20 0 JBADHO CC[C@H](C)OCC[C@H](C)n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001172340507 1068638037 /nfs/dbraw/zinc/63/80/37/1068638037.db2.gz QUKJVEVPYOXYRP-CAMMJAKZSA-N 1 3 467.615 -0.266 20 0 JBADHO CC[C@@H](C)OCC[C@@H](C)n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001172340520 1068637898 /nfs/dbraw/zinc/63/78/98/1068637898.db2.gz QUKJVEVPYOXYRP-FPAYPSAMSA-N 1 3 467.615 -0.266 20 0 JBADHO CC[C@@H](C)OCC[C@H](C)n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001172340523 1068637767 /nfs/dbraw/zinc/63/77/67/1068637767.db2.gz QUKJVEVPYOXYRP-NBMJBFSESA-N 1 3 467.615 -0.266 20 0 JBADHO CC[C@H](C)OCC[C@@H](C)n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001172340526 1068638080 /nfs/dbraw/zinc/63/80/80/1068638080.db2.gz QUKJVEVPYOXYRP-NEPXVJNWSA-N 1 3 467.615 -0.266 20 0 JBADHO CC(C)OCC[C@@H](C)n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001172440890 1068637926 /nfs/dbraw/zinc/63/79/26/1068637926.db2.gz QCKMGHYLKKEDSM-NJAFHUGGSA-N 1 3 453.588 -0.656 20 0 JBADHO CC(C)OCC[C@H](C)n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001172440891 1068637799 /nfs/dbraw/zinc/63/77/99/1068637799.db2.gz QCKMGHYLKKEDSM-SZMVWBNQSA-N 1 3 453.588 -0.656 20 0 JBADHO CC(C)COCC[C@@H](C)n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001172470557 1068637626 /nfs/dbraw/zinc/63/76/26/1068637626.db2.gz ZLRMYYAZUHPCGR-NEWSRXKRSA-N 1 3 467.615 -0.408 20 0 JBADHO CC(C)COCC[C@H](C)n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001172470558 1068638026 /nfs/dbraw/zinc/63/80/26/1068638026.db2.gz ZLRMYYAZUHPCGR-WDSOQIARSA-N 1 3 467.615 -0.408 20 0 JBADHO CC1(C)CC(n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)CC(C)(C)O1 ZINC001172654978 1068637993 /nfs/dbraw/zinc/63/79/93/1068637993.db2.gz NMSMHQVXJKRAJB-ROUUACIJSA-N 1 3 479.626 -0.123 20 0 JBADHO NC(=O)CNC(=O)[C@H](Cc1cn([C@@H]2Cc3ccc(Cl)cc3C2)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001172714475 1068638669 /nfs/dbraw/zinc/63/86/69/1068638669.db2.gz CSBPZMXLQOVJJX-AABGKKOBSA-N 1 3 490.008 -0.039 20 0 JBADHO NC(=O)CNC(=O)[C@H](Cc1cn([C@H]2Cc3ccc(Cl)cc3C2)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001172714477 1068638583 /nfs/dbraw/zinc/63/85/83/1068638583.db2.gz CSBPZMXLQOVJJX-UFYCRDLUSA-N 1 3 490.008 -0.039 20 0 JBADHO CC(C)OC(=O)CC[C@@H](C)n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001172751977 1068638554 /nfs/dbraw/zinc/63/85/54/1068638554.db2.gz ZJQVTIAYYDJAGD-NJAFHUGGSA-N 1 3 481.598 -0.739 20 0 JBADHO CC(C)OC(=O)CC[C@H](C)n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001172751978 1068638646 /nfs/dbraw/zinc/63/86/46/1068638646.db2.gz ZJQVTIAYYDJAGD-SZMVWBNQSA-N 1 3 481.598 -0.739 20 0 JBADHO COC(=O)[C@@H]1CCC[C@H](n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)CC1 ZINC001172784852 1068639796 /nfs/dbraw/zinc/63/97/96/1068639796.db2.gz NTLJDSUWIYETDA-BVBHFADKSA-N 1 3 493.609 -0.737 20 0 JBADHO COC(=O)[C@H]1CCC[C@@H](n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)CC1 ZINC001172784899 1068639859 /nfs/dbraw/zinc/63/98/59/1068639859.db2.gz NTLJDSUWIYETDA-NQYYFHDYSA-N 1 3 493.609 -0.737 20 0 JBADHO COC(=O)[C@H]1CCC[C@H](n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)CC1 ZINC001172784902 1068639540 /nfs/dbraw/zinc/63/95/40/1068639540.db2.gz NTLJDSUWIYETDA-WNHJNPCNSA-N 1 3 493.609 -0.737 20 0 JBADHO COC(=O)[C@@H]1CCC[C@@H](n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)CC1 ZINC001172784904 1068639746 /nfs/dbraw/zinc/63/97/46/1068639746.db2.gz NTLJDSUWIYETDA-YSHGAJCASA-N 1 3 493.609 -0.737 20 0 JBADHO CO[C@@H]1CCC[C@@H](n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)C1 ZINC001172930051 1068639809 /nfs/dbraw/zinc/63/98/09/1068639809.db2.gz ICBVZSLHPXHLAS-BDXSIMOUSA-N 1 3 451.572 -0.902 20 0 JBADHO CO[C@@H]1CCC[C@H](n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)C1 ZINC001172930065 1068639640 /nfs/dbraw/zinc/63/96/40/1068639640.db2.gz ICBVZSLHPXHLAS-MHORFTMASA-N 1 3 451.572 -0.902 20 0 JBADHO CO[C@H]1CCC[C@@H](n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)C1 ZINC001172930066 1068639714 /nfs/dbraw/zinc/63/97/14/1068639714.db2.gz ICBVZSLHPXHLAS-OWSLCNJRSA-N 1 3 451.572 -0.902 20 0 JBADHO CO[C@H]1CCC[C@H](n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)C1 ZINC001172930067 1068639851 /nfs/dbraw/zinc/63/98/51/1068639851.db2.gz ICBVZSLHPXHLAS-XSLAGTTESA-N 1 3 451.572 -0.902 20 0 JBADHO NC(=O)CNC(=O)[C@H](Cc1cn(C2CCC3(CCOCC3)CC2)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001173043452 1068640546 /nfs/dbraw/zinc/64/05/46/1068640546.db2.gz KTGBHFHYXHZOLN-PMACEKPBSA-N 1 3 491.637 -0.120 20 0 JBADHO CCCOC1CCC(n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)CC1 ZINC001173095386 1068641151 /nfs/dbraw/zinc/64/11/51/1068641151.db2.gz CLFRAMHEUGSUFV-GUMHCPJTSA-N 1 3 479.626 -0.122 20 0 JBADHO NC(=O)CNC(=O)[C@H](Cc1cn([C@@H]2CCc3ncsc3C2)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001173134739 1068641517 /nfs/dbraw/zinc/64/15/17/1068641517.db2.gz JDXIAUQCBOAMHM-VYDXJSESSA-N 1 3 476.607 -0.845 20 0 JBADHO NC(=O)CNC(=O)[C@H](Cc1cn([C@H]2CCc3ncsc3C2)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001173134749 1068641555 /nfs/dbraw/zinc/64/15/55/1068641555.db2.gz JDXIAUQCBOAMHM-ZOBUZTSGSA-N 1 3 476.607 -0.845 20 0 JBADHO COC(=O)CCCC[C@@H](C)n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001173448110 1068643073 /nfs/dbraw/zinc/64/30/73/1068643073.db2.gz JCXOYIAVUXZFDA-NJAFHUGGSA-N 1 3 481.598 -0.737 20 0 JBADHO COC(=O)CCCC[C@H](C)n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001173448126 1068642946 /nfs/dbraw/zinc/64/29/46/1068642946.db2.gz JCXOYIAVUXZFDA-SZMVWBNQSA-N 1 3 481.598 -0.737 20 0 JBADHO NC(=O)CNC(=O)[C@H](Cc1cn(C2Cc3cc(F)c(F)cc3C2)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001173480058 1068642973 /nfs/dbraw/zinc/64/29/73/1068642973.db2.gz PZFJZFBPZZHAMJ-PMACEKPBSA-N 1 3 491.543 -0.414 20 0 JBADHO CCOC(=O)C[C@@H]1CC[C@H](n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)C1 ZINC001173651054 1068647380 /nfs/dbraw/zinc/64/73/80/1068647380.db2.gz NEMLMNJCLGMIMA-BVBHFADKSA-N 1 3 493.609 -0.737 20 0 JBADHO CCOC(=O)C[C@H]1CC[C@@H](n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)C1 ZINC001173651056 1068647209 /nfs/dbraw/zinc/64/72/09/1068647209.db2.gz NEMLMNJCLGMIMA-NQYYFHDYSA-N 1 3 493.609 -0.737 20 0 JBADHO CCOC(=O)C[C@H]1CC[C@H](n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)C1 ZINC001173651057 1068647350 /nfs/dbraw/zinc/64/73/50/1068647350.db2.gz NEMLMNJCLGMIMA-WNHJNPCNSA-N 1 3 493.609 -0.737 20 0 JBADHO CCOC(=O)C[C@@H]1CC[C@@H](n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)C1 ZINC001173651058 1068647303 /nfs/dbraw/zinc/64/73/03/1068647303.db2.gz NEMLMNJCLGMIMA-YSHGAJCASA-N 1 3 493.609 -0.737 20 0 JBADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CN2CCN(c3ncccn3)CC2)[C@@H](O)OC(C)(C)C)C1 ZINC001176984900 1068667834 /nfs/dbraw/zinc/66/78/34/1068667834.db2.gz OIMVTFWHGMZOLY-HSZRPETLSA-N 1 3 493.653 -0.106 20 0 JBADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CN2CCN(c3ncccn3)CC2)[C@@H](O)OC(C)(C)C)C1 ZINC001176984902 1068667775 /nfs/dbraw/zinc/66/77/75/1068667775.db2.gz OIMVTFWHGMZOLY-ILZLQZNLSA-N 1 3 493.653 -0.106 20 0 JBADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CN2CCN(c3ncccn3)CC2)[C@H](O)OC(C)(C)C)C1 ZINC001176984933 1068668433 /nfs/dbraw/zinc/66/84/33/1068668433.db2.gz OIMVTFWHGMZOLY-PEQWJCPASA-N 1 3 493.653 -0.106 20 0 JBADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CN2CCN(c3ncccn3)CC2)[C@H](O)OC(C)(C)C)C1 ZINC001176984934 1068668481 /nfs/dbraw/zinc/66/84/81/1068668481.db2.gz OIMVTFWHGMZOLY-WIRGQOOTSA-N 1 3 493.653 -0.106 20 0 JBADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2N)c(=O)nc1N ZINC001178728551 1068696695 /nfs/dbraw/zinc/69/66/95/1068696695.db2.gz FKDRPZRTDGLDGF-RQIOHKNLSA-N 1 3 483.529 -0.839 20 0 JBADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2N)c(=O)nc1N ZINC001178728551 1068696684 /nfs/dbraw/zinc/69/66/84/1068696684.db2.gz FKDRPZRTDGLDGF-RQIOHKNLSA-N 1 3 483.529 -0.839 20 0 JBADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C2CCN(S(C)(=O)=O)CC2)[C@@H](O)OC(C)(C)C)C1 ZINC001178767633 1068695915 /nfs/dbraw/zinc/69/59/15/1068695915.db2.gz FGUNOXFXHRXORF-CBNQQXHVSA-N 1 3 478.656 -0.046 20 0 JBADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C2CCN(S(C)(=O)=O)CC2)[C@H](O)OC(C)(C)C)C1 ZINC001178767634 1068696815 /nfs/dbraw/zinc/69/68/15/1068696815.db2.gz FGUNOXFXHRXORF-KVIJGQROSA-N 1 3 478.656 -0.046 20 0 JBADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C2CCN(S(C)(=O)=O)CC2)[C@@H](O)OC(C)(C)C)C1 ZINC001178767636 1068696763 /nfs/dbraw/zinc/69/67/63/1068696763.db2.gz FGUNOXFXHRXORF-VKESLTNKSA-N 1 3 478.656 -0.046 20 0 JBADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C2CCN(S(C)(=O)=O)CC2)[C@H](O)OC(C)(C)C)C1 ZINC001178767638 1068696562 /nfs/dbraw/zinc/69/65/62/1068696562.db2.gz FGUNOXFXHRXORF-ZYNAIFEFSA-N 1 3 478.656 -0.046 20 0 JBADHO CC(=O)N1CCN(CC(=O)N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)N(C)C)CC[C@@H]2[NH3+])CC1 ZINC001179035669 1068701031 /nfs/dbraw/zinc/70/10/31/1068701031.db2.gz NNAZRZDFQCCJNP-DSVUQQCSSA-N 1 3 457.616 -0.554 20 0 JBADHO CC(=O)N1CCN(CC(=O)N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)N(C)C)CC[C@@H]2[NH3+])CC1 ZINC001179035670 1068700963 /nfs/dbraw/zinc/70/09/63/1068700963.db2.gz NNAZRZDFQCCJNP-OAGDOXAWSA-N 1 3 457.616 -0.554 20 0 JBADHO CC(=O)N1CCN(CC(=O)N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)N(C)C)CC[C@@H]2[NH3+])CC1 ZINC001179035671 1068701202 /nfs/dbraw/zinc/70/12/02/1068701202.db2.gz NNAZRZDFQCCJNP-OEUJLIAZSA-N 1 3 457.616 -0.554 20 0 JBADHO CC(=O)N1CCN(CC(=O)N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)N(C)C)CC[C@@H]2[NH3+])CC1 ZINC001179035672 1068701123 /nfs/dbraw/zinc/70/11/23/1068701123.db2.gz NNAZRZDFQCCJNP-RDIJVOARSA-N 1 3 457.616 -0.554 20 0 JBADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CCC(=O)N2CCNC(=O)CC2)[C@H](O)OC(C)(C)C)C1 ZINC001180273368 1068713539 /nfs/dbraw/zinc/71/35/39/1068713539.db2.gz WFLAKHWJLJBRTQ-FIOCPMRGSA-N 1 3 485.626 -0.589 20 0 JBADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CCC(=O)N2CCNC(=O)CC2)[C@@H](O)OC(C)(C)C)C1 ZINC001180273369 1068713362 /nfs/dbraw/zinc/71/33/62/1068713362.db2.gz WFLAKHWJLJBRTQ-HSDNQCAASA-N 1 3 485.626 -0.589 20 0 JBADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CCC(=O)N2CCNC(=O)CC2)[C@H](O)OC(C)(C)C)C1 ZINC001180273370 1068713343 /nfs/dbraw/zinc/71/33/43/1068713343.db2.gz WFLAKHWJLJBRTQ-IDRUFVAWSA-N 1 3 485.626 -0.589 20 0 JBADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CCC(=O)N2CCNC(=O)CC2)[C@@H](O)OC(C)(C)C)C1 ZINC001180273371 1068713613 /nfs/dbraw/zinc/71/36/13/1068713613.db2.gz WFLAKHWJLJBRTQ-QYSHBZRDSA-N 1 3 485.626 -0.589 20 0 JBADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CCC(=O)N2CCOCC2)[C@@H](O)OC(C)(C)C)C1 ZINC001180499325 1068717547 /nfs/dbraw/zinc/71/75/47/1068717547.db2.gz YECLBESOOUFCPC-RNEDXHKXSA-N 1 3 458.600 -0.079 20 0 JBADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CCC(=O)N2CCOCC2)[C@@H](O)OC(C)(C)C)C1 ZINC001180499333 1068717473 /nfs/dbraw/zinc/71/74/73/1068717473.db2.gz YECLBESOOUFCPC-TYFMXVJSSA-N 1 3 458.600 -0.079 20 0 JBADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CCC(=O)N2CCOCC2)[C@H](O)OC(C)(C)C)C1 ZINC001180499435 1068717498 /nfs/dbraw/zinc/71/74/98/1068717498.db2.gz YECLBESOOUFCPC-XPKAMFKHSA-N 1 3 458.600 -0.079 20 0 JBADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CCC(=O)N2CCOCC2)[C@H](O)OC(C)(C)C)C1 ZINC001180499436 1068717393 /nfs/dbraw/zinc/71/73/93/1068717393.db2.gz YECLBESOOUFCPC-YRJWVXGYSA-N 1 3 458.600 -0.079 20 0 JBADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CN2CCS(=O)(=O)CC2)[C@H](O)OC(C)(C)C)C1 ZINC001180597765 1068720084 /nfs/dbraw/zinc/72/00/84/1068720084.db2.gz FDSJCSPDDMRKQP-BEIYGRMHSA-N 1 3 464.629 -0.988 20 0 JBADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CN2CCS(=O)(=O)CC2)[C@H](O)OC(C)(C)C)C1 ZINC001180597766 1068720047 /nfs/dbraw/zinc/72/00/47/1068720047.db2.gz FDSJCSPDDMRKQP-BGJMDTOESA-N 1 3 464.629 -0.988 20 0 JBADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CN2CCS(=O)(=O)CC2)[C@@H](O)OC(C)(C)C)C1 ZINC001180597767 1068719856 /nfs/dbraw/zinc/71/98/56/1068719856.db2.gz FDSJCSPDDMRKQP-FYAJOAKPSA-N 1 3 464.629 -0.988 20 0 JBADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CN2CCS(=O)(=O)CC2)[C@@H](O)OC(C)(C)C)C1 ZINC001180597768 1068720679 /nfs/dbraw/zinc/72/06/79/1068720679.db2.gz FDSJCSPDDMRKQP-QAGGRKNESA-N 1 3 464.629 -0.988 20 0 JBADHO COCCN1C[C@H](C(=O)N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)N(C)C)CC[C@@H]2[NH3+])CC1=O ZINC001180895024 1068725701 /nfs/dbraw/zinc/72/57/01/1068725701.db2.gz NNYHVKDHJPUYGE-AMNGPSDASA-N 1 3 458.600 -0.223 20 0 JBADHO COCCN1C[C@H](C(=O)N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)N(C)C)CC[C@@H]2[NH3+])CC1=O ZINC001180895025 1068725470 /nfs/dbraw/zinc/72/54/70/1068725470.db2.gz NNYHVKDHJPUYGE-IOMVJJOJSA-N 1 3 458.600 -0.223 20 0 JBADHO COCCN1C[C@H](C(=O)N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)N(C)C)CC[C@@H]2[NH3+])CC1=O ZINC001180895026 1068725563 /nfs/dbraw/zinc/72/55/63/1068725563.db2.gz NNYHVKDHJPUYGE-KGZQOUKRSA-N 1 3 458.600 -0.223 20 0 JBADHO COCCN1C[C@H](C(=O)N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)N(C)C)CC[C@@H]2[NH3+])CC1=O ZINC001180895027 1068725731 /nfs/dbraw/zinc/72/57/31/1068725731.db2.gz NNYHVKDHJPUYGE-PWWDJQEMSA-N 1 3 458.600 -0.223 20 0 JBADHO Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1C(=O)CC1CCN(Cc2ccccc2)CC1 ZINC001182040835 1068739657 /nfs/dbraw/zinc/73/96/57/1068739657.db2.gz TXBYQZSUVVEILI-VPTAFFCTSA-N 1 3 497.556 -0.304 20 0 JBADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C2CN(S(C)(=O)=O)C2)[C@H](O)OC(C)(C)C)C1 ZINC001183025523 1068758794 /nfs/dbraw/zinc/75/87/94/1068758794.db2.gz OZWBROOTPKUXRI-KISBBLTOSA-N 1 3 450.602 -0.827 20 0 JBADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C2CN(S(C)(=O)=O)C2)[C@@H](O)OC(C)(C)C)C1 ZINC001183025528 1068758584 /nfs/dbraw/zinc/75/85/84/1068758584.db2.gz OZWBROOTPKUXRI-NBGIZXCLSA-N 1 3 450.602 -0.827 20 0 JBADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C2CN(S(C)(=O)=O)C2)[C@H](O)OC(C)(C)C)C1 ZINC001183025530 1068758765 /nfs/dbraw/zinc/75/87/65/1068758765.db2.gz OZWBROOTPKUXRI-WRHRSQKMSA-N 1 3 450.602 -0.827 20 0 JBADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C2CN(S(C)(=O)=O)C2)[C@@H](O)OC(C)(C)C)C1 ZINC001183025532 1068758736 /nfs/dbraw/zinc/75/87/36/1068758736.db2.gz OZWBROOTPKUXRI-XEQYVGRISA-N 1 3 450.602 -0.827 20 0 JBADHO CC(C)[C@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C)N(C)C ZINC001183365587 1068765555 /nfs/dbraw/zinc/76/55/55/1068765555.db2.gz GZKUKGYQFUQERE-CADBVGFASA-N 1 3 468.643 -0.197 20 0 JBADHO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)C12CCCN1CCC2)C(N)=O ZINC001183563884 1068769910 /nfs/dbraw/zinc/76/99/10/1068769910.db2.gz WOTQCGCJFWGZEH-FHWLQOOXSA-N 1 3 478.638 -0.154 20 0 JBADHO C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)Cn2cc(F)c(=O)[n-]c2=O)[C@@H](O)OC(C)(C)C)C1 ZINC001183663948 1068772595 /nfs/dbraw/zinc/77/25/95/1068772595.db2.gz IIVLGCSVUNMZBW-GMQBINHVSA-N 1 3 459.519 -0.616 20 0 JBADHO C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)Cn2cc(F)c(=O)[n-]c2=O)[C@H](O)OC(C)(C)C)C1 ZINC001183663958 1068772508 /nfs/dbraw/zinc/77/25/08/1068772508.db2.gz IIVLGCSVUNMZBW-XQOWAHPQSA-N 1 3 459.519 -0.616 20 0 JBADHO C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)Cn2cc(F)c(=O)[n-]c2=O)[C@H](O)OC(C)(C)C)C1 ZINC001183663961 1068773424 /nfs/dbraw/zinc/77/34/24/1068773424.db2.gz IIVLGCSVUNMZBW-YAHCAUEQSA-N 1 3 459.519 -0.616 20 0 JBADHO C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)Cn2cc(F)c(=O)[n-]c2=O)[C@@H](O)OC(C)(C)C)C1 ZINC001183663964 1068773145 /nfs/dbraw/zinc/77/31/45/1068773145.db2.gz IIVLGCSVUNMZBW-ZEMYDDBRSA-N 1 3 459.519 -0.616 20 0 JBADHO C[C@@H]1NC(=O)[C@H](CCC(=O)N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)N(C)C)CC[C@@H]2[NH3+])NC1=O ZINC001184093304 1068781403 /nfs/dbraw/zinc/78/14/03/1068781403.db2.gz KQVMOKJIPMDTPP-BJMDFFDQSA-N 1 3 471.599 -0.935 20 0 JBADHO C[C@@H]1NC(=O)[C@H](CCC(=O)N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)N(C)C)CC[C@@H]2[NH3+])NC1=O ZINC001184093312 1068781489 /nfs/dbraw/zinc/78/14/89/1068781489.db2.gz KQVMOKJIPMDTPP-FKNKGANVSA-N 1 3 471.599 -0.935 20 0 JBADHO C[C@@H]1NC(=O)[C@H](CCC(=O)N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)N(C)C)CC[C@@H]2[NH3+])NC1=O ZINC001184093313 1068781959 /nfs/dbraw/zinc/78/19/59/1068781959.db2.gz KQVMOKJIPMDTPP-UBUNSGPBSA-N 1 3 471.599 -0.935 20 0 JBADHO C[C@@H]1NC(=O)[C@H](CCC(=O)N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)N(C)C)CC[C@@H]2[NH3+])NC1=O ZINC001184093314 1068782039 /nfs/dbraw/zinc/78/20/39/1068782039.db2.gz KQVMOKJIPMDTPP-VPDTWJRYSA-N 1 3 471.599 -0.935 20 0 JBADHO CCOC(=O)N[C@@H](CC(N)=O)C(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)N(C)C)CC[C@@H]1[NH3+] ZINC001185875269 1068812763 /nfs/dbraw/zinc/81/27/63/1068812763.db2.gz TXEZABKXGUQLLZ-CRNFWKIRSA-N 1 3 475.587 -0.728 20 0 JBADHO CCOC(=O)N[C@@H](CC(N)=O)C(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)N(C)C)CC[C@@H]1[NH3+] ZINC001185875282 1068812973 /nfs/dbraw/zinc/81/29/73/1068812973.db2.gz TXEZABKXGUQLLZ-HIEHLROGSA-N 1 3 475.587 -0.728 20 0 JBADHO CCOC(=O)N[C@@H](CC(N)=O)C(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)N(C)C)CC[C@@H]1[NH3+] ZINC001185875285 1068812846 /nfs/dbraw/zinc/81/28/46/1068812846.db2.gz TXEZABKXGUQLLZ-QRUMWZDFSA-N 1 3 475.587 -0.728 20 0 JBADHO CCOC(=O)N[C@@H](CC(N)=O)C(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)N(C)C)CC[C@@H]1[NH3+] ZINC001185875288 1068813000 /nfs/dbraw/zinc/81/30/00/1068813000.db2.gz TXEZABKXGUQLLZ-TVNKEZSYSA-N 1 3 475.587 -0.728 20 0 JBADHO COC(=O)[C@H]1CCN(CC(=O)N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)N(C)C)CC[C@@H]2[NH3+])C1 ZINC001186116263 1068817911 /nfs/dbraw/zinc/81/79/11/1068817911.db2.gz CNATVMUQURFWKA-GAKQYBQZSA-N 1 3 458.600 -0.223 20 0 JBADHO COC(=O)[C@H]1CCN(CC(=O)N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)N(C)C)CC[C@@H]2[NH3+])C1 ZINC001186116264 1068817816 /nfs/dbraw/zinc/81/78/16/1068817816.db2.gz CNATVMUQURFWKA-MNIZTNQSSA-N 1 3 458.600 -0.223 20 0 JBADHO COC(=O)[C@H]1CCN(CC(=O)N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)N(C)C)CC[C@@H]2[NH3+])C1 ZINC001186116265 1068818138 /nfs/dbraw/zinc/81/81/38/1068818138.db2.gz CNATVMUQURFWKA-ODGNUVPMSA-N 1 3 458.600 -0.223 20 0 JBADHO COC(=O)[C@H]1CCN(CC(=O)N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)N(C)C)CC[C@@H]2[NH3+])C1 ZINC001186116266 1068817981 /nfs/dbraw/zinc/81/79/81/1068817981.db2.gz CNATVMUQURFWKA-TWTKXFDXSA-N 1 3 458.600 -0.223 20 0 JBADHO CC(=O)N[C@H](C)C(=O)O[C@H](C)C(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)N(C)C)CC[C@@H]1[NH3+] ZINC001186727657 1068853881 /nfs/dbraw/zinc/85/38/81/1068853881.db2.gz YDTZQYYRAPANTC-BOHKUYKMSA-N 1 3 474.599 -0.262 20 0 JBADHO CC(=O)N[C@H](C)C(=O)O[C@H](C)C(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)N(C)C)CC[C@@H]1[NH3+] ZINC001186727658 1068854252 /nfs/dbraw/zinc/85/42/52/1068854252.db2.gz YDTZQYYRAPANTC-PHFGLYELSA-N 1 3 474.599 -0.262 20 0 JBADHO CC(=O)N[C@H](C)C(=O)O[C@H](C)C(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)N(C)C)CC[C@@H]1[NH3+] ZINC001186727659 1068853978 /nfs/dbraw/zinc/85/39/78/1068853978.db2.gz YDTZQYYRAPANTC-WSNIIEKZSA-N 1 3 474.599 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1068946908 /nfs/dbraw/zinc/94/69/08/1068946908.db2.gz IBHFDONBADKUTE-GQXXFKRGSA-N 1 3 469.583 -0.201 20 0 JBADHO COCCn1cc(C(=O)N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)N(C)C)CC[C@@H]2[NH3+])cnc1=O ZINC001197712470 1068947030 /nfs/dbraw/zinc/94/70/30/1068947030.db2.gz IBHFDONBADKUTE-KDBGDGBXSA-N 1 3 469.583 -0.201 20 0 JBADHO COCCn1cc(C(=O)N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)N(C)C)CC[C@@H]2[NH3+])cnc1=O ZINC001197712472 1068946964 /nfs/dbraw/zinc/94/69/64/1068946964.db2.gz IBHFDONBADKUTE-MOMZRRJVSA-N 1 3 469.583 -0.201 20 0 JBADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2)C(=O)CF ZINC001218533749 1069508102 /nfs/dbraw/zinc/50/81/02/1069508102.db2.gz OGMYZMJEENWMMF-BTIUKSQHSA-N 1 3 470.571 -0.201 20 0 JBADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)Nc1nc2c(s1)C[C@H]([NH3+])CC2)C(=O)CF ZINC001218533750 1069508166 /nfs/dbraw/zinc/50/81/66/1069508166.db2.gz OGMYZMJEENWMMF-QTFJUKGGSA-N 1 3 470.571 -0.201 20 0 JBADHO 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1069531157 /nfs/dbraw/zinc/53/11/57/1069531157.db2.gz LDYPGSIUHYRIQC-ZUOKHONESA-N 1 3 462.532 -0.003 20 0 JBADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)Nc1cc2cccc3c2c(c1)C(=O)N(CC[NH+](C)C)C3=O ZINC001219019264 1069531755 /nfs/dbraw/zinc/53/17/55/1069531755.db2.gz XLLCLZQOMIGIPT-SJCJKPOMSA-N 1 3 468.514 -0.357 20 0 JBADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)Nc1cccc(N2CC[NH2+]CC2)c1)C(=O)CF ZINC001219119309 1069532803 /nfs/dbraw/zinc/53/28/03/1069532803.db2.gz WQRLXZVCJUBBTP-XERREHJYSA-N 1 3 478.569 -0.064 20 0 JBADHO COc1ccc(NC(=O)CN(CC[NH3+])S(C)(=O)=O)cc1OCCCN1CCN(C)CC1 ZINC001219314481 1069533922 /nfs/dbraw/zinc/53/39/22/1069533922.db2.gz JZOFPPKTLRJVRZ-UHFFFAOYSA-N 1 3 457.597 -0.130 20 0 JBADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)Nc1cccc2c1[C@H]1C[NH2+]C[C@H]1O2)C(=O)CF ZINC001219537426 1069535355 /nfs/dbraw/zinc/53/53/55/1069535355.db2.gz MCMZSFGTVWYGKH-DVRPXPKASA-N 1 3 477.537 -0.026 20 0 JBADHO 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COc1cccc(N=c2ncn(C(=O)[C@@H](N)CN)n3ccc(CN4CC[C@@H]([NH3+])[C@H](O)C4)c23)c1 ZINC001220012786 1069545497 /nfs/dbraw/zinc/54/54/97/1069545497.db2.gz CBTQKISIWLHMHF-CEXWTWQISA-N 1 3 454.535 -0.803 20 0 JBADHO COc1cccc(N=c2ncn(C(=O)[C@@](C)(N)CO)n3ccc(CN4CC[C@@H]([NH3+])[C@H](O)C4)c23)c1 ZINC001220012805 1069545632 /nfs/dbraw/zinc/54/56/32/1069545632.db2.gz CMRTXTHOGLKXQY-PWHSHALESA-N 1 3 469.546 -0.379 20 0 JBADHO CN[C@@H](CO)C(=O)n1cnc(=Nc2cccc(OC)c2)c2c(CN3CC[C@@H]([NH3+])[C@H](O)C3)ccn21 ZINC001220013032 1069546128 /nfs/dbraw/zinc/54/61/28/1069546128.db2.gz GSWNMGNBPLWROK-HSALFYBXSA-N 1 3 469.546 -0.509 20 0 JBADHO COc1cccc(N=c2ncn(C(=O)[C@@H]3CNCCN3C)n3ccc(CN4CC[C@@H]([NH3+])[C@H](O)C4)c23)c1 ZINC001220013070 1069546112 /nfs/dbraw/zinc/54/61/12/1069546112.db2.gz HQECMXNGFBDKCR-BHIFYINESA-N 1 3 494.600 -0.186 20 0 JBADHO COc1cccc(N=c2ncn(C(=O)[C@H]3CNCCN3C)n3ccc(CN4CC[C@@H]([NH3+])[C@H](O)C4)c23)c1 ZINC001220013071 1069546019 /nfs/dbraw/zinc/54/60/19/1069546019.db2.gz HQECMXNGFBDKCR-YPAWHYETSA-N 1 3 494.600 -0.186 20 0 JBADHO COc1cccc(N=c2ncn(C(=O)[C@@H](N)[C@@H](C)O)n3ccc(CN4CC[C@@H]([NH3+])[C@H](O)C4)c23)c1 ZINC001220013217 1069546139 /nfs/dbraw/zinc/54/61/39/1069546139.db2.gz LLANIZOMNAXNKD-DMSXTEQDSA-N 1 3 469.546 -0.381 20 0 JBADHO CN[C@H](C(=O)n1cnc(=Nc2cccc(OC)c2)c2c(CN3CC[C@@H]([NH3+])[C@H](O)C3)ccn21)[C@@H](C)O ZINC001220013537 1069546618 /nfs/dbraw/zinc/54/66/18/1069546618.db2.gz ZZSKQQDIPRSTNX-DOVSJBTNSA-N 1 3 483.573 -0.120 20 0 JBADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N(Cc1ccccc1)C1(C[NH3+])COC1)C(=O)CF ZINC001220023124 1069547144 /nfs/dbraw/zinc/54/71/44/1069547144.db2.gz REAVFJLCOGSGOQ-MDKPJZGXSA-N 1 3 493.580 -0.356 20 0 JBADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)n1c(=N)sc2c1CC[C@H]([NH3+])C2)C(=O)CF ZINC001220025605 1069547001 /nfs/dbraw/zinc/54/70/01/1069547001.db2.gz SLHHKIAOAVPBPW-UWCDFFNFSA-N 1 3 470.571 -0.613 20 0 JBADHO COc1ccc(C[C@@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])cc1S(N)(=O)=O ZINC001220041354 1069547184 /nfs/dbraw/zinc/54/71/84/1069547184.db2.gz ILNJJDGPBWVMPV-PVAVHDDUSA-N 1 3 469.608 -0.163 20 0 JBADHO Nc1nc(OCc2ccc(C[NH3+])cc2)c2ncnc-2n1C(=O)[C@@H]1CCS(=O)(=O)C12CNC2 ZINC001220117407 1069548273 /nfs/dbraw/zinc/54/82/73/1069548273.db2.gz KRXUYZKPJXTDMP-AWEZNQCLSA-N 1 3 457.516 -0.307 20 0 JBADHO Nc1nc(OCc2ccc(C[NH3+])cc2)c2ncnc-2n1C(=O)[C@H]1CCS(=O)(=O)C12CNC2 ZINC001220117408 1069548417 /nfs/dbraw/zinc/54/84/17/1069548417.db2.gz KRXUYZKPJXTDMP-CQSZACIVSA-N 1 3 457.516 -0.307 20 0 JBADHO CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H](N)CC1CCCC1)c(N)nc2=O ZINC001220122399 1069548851 /nfs/dbraw/zinc/54/88/51/1069548851.db2.gz IBDKEKSFEVHXPY-HRCADAONSA-N 1 3 493.565 -0.416 20 0 JBADHO CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H](N)CC1CCCC1)c(N)nc2=O ZINC001220122400 1069548945 /nfs/dbraw/zinc/54/89/45/1069548945.db2.gz IBDKEKSFEVHXPY-JYJNAYRXSA-N 1 3 493.565 -0.416 20 0 JBADHO CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H](N)CC1CCC1)c(N)nc2=O ZINC001220123052 1069550823 /nfs/dbraw/zinc/55/08/23/1069550823.db2.gz UIURBRTWDXFPQK-KKUMJFAQSA-N 1 3 479.538 -0.806 20 0 JBADHO CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H](N)CC1CCC1)c(N)nc2=O ZINC001220123053 1069550947 /nfs/dbraw/zinc/55/09/47/1069550947.db2.gz UIURBRTWDXFPQK-SOUVJXGZSA-N 1 3 479.538 -0.806 20 0 JBADHO CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H]([NH3+])C1CCCCC1)c(N)nc2=O ZINC001220123175 1069552050 /nfs/dbraw/zinc/55/20/50/1069552050.db2.gz YJINZSJYFLGQSC-JYJNAYRXSA-N 1 3 493.565 -0.416 20 0 JBADHO CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H]([NH3+])C1CCCCC1)c(N)nc2=O ZINC001220123176 1069552143 /nfs/dbraw/zinc/55/21/43/1069552143.db2.gz YJINZSJYFLGQSC-XHSDSOJGSA-N 1 3 493.565 -0.416 20 0 JBADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1)C(=O)CF ZINC001220162685 1069552794 /nfs/dbraw/zinc/55/27/94/1069552794.db2.gz KUGGPPDMTRFNAB-CWJANSQVSA-N 1 3 455.575 -0.074 20 0 JBADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N[C@H]1CCC[C@]2(CC[NH2+]C2)C1)C(=O)CF ZINC001220162688 1069552692 /nfs/dbraw/zinc/55/26/92/1069552692.db2.gz KUGGPPDMTRFNAB-DXRNAMPVSA-N 1 3 455.575 -0.074 20 0 JBADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N[C@H]1CCC[C@@]2(CC[NH2+]C2)C1)C(=O)CF ZINC001220162689 1069552985 /nfs/dbraw/zinc/55/29/85/1069552985.db2.gz KUGGPPDMTRFNAB-GRLJWQFSSA-N 1 3 455.575 -0.074 20 0 JBADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1)C(=O)CF ZINC001220162690 1069552965 /nfs/dbraw/zinc/55/29/65/1069552965.db2.gz KUGGPPDMTRFNAB-MYVMSIQCSA-N 1 3 455.575 -0.074 20 0 JBADHO COCCC[NH+]1CCC(NC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)CF)CC1 ZINC001220200393 1069553841 /nfs/dbraw/zinc/55/38/41/1069553841.db2.gz JFCSKDVXWKNSLM-KNBMTAEXSA-N 1 3 473.590 -0.495 20 0 JBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220319421 1069555180 /nfs/dbraw/zinc/55/51/80/1069555180.db2.gz GDELPZHPPSRYJL-HGBASVHRSA-N 1 3 459.591 -0.159 20 0 JBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220319422 1069555345 /nfs/dbraw/zinc/55/53/45/1069555345.db2.gz GDELPZHPPSRYJL-OEEHMVQOSA-N 1 3 459.591 -0.159 20 0 JBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220319423 1069555548 /nfs/dbraw/zinc/55/55/48/1069555548.db2.gz GDELPZHPPSRYJL-RLIDHQHUSA-N 1 3 459.591 -0.159 20 0 JBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220319424 1069555535 /nfs/dbraw/zinc/55/55/35/1069555535.db2.gz GDELPZHPPSRYJL-RSKVWTTASA-N 1 3 459.591 -0.159 20 0 JBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)NCc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC001220433953 1069556603 /nfs/dbraw/zinc/55/66/03/1069556603.db2.gz PDIPSMVXSFIQSC-PMACEKPBSA-N 1 3 481.619 -0.229 20 0 JBADHO Cc1cnc2c(N(CC[NH3+])C(=O)CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)nc3ccc(C)cc3n12 ZINC001220458463 1069556692 /nfs/dbraw/zinc/55/66/92/1069556692.db2.gz RZQXEVHHSDYQKA-GOEBONIOSA-N 1 3 454.535 -0.111 20 0 JBADHO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(=O)NC[C@H]1O[C@H](C(C)C)O[C@@H]1C[NH3+] ZINC001220481494 1069557523 /nfs/dbraw/zinc/55/75/23/1069557523.db2.gz JFARNYJVHUMRFB-GMJQZYICSA-N 1 3 455.600 -0.304 20 0 JBADHO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(=O)NC[C@H]1O[C@@H](C(C)C)O[C@@H]1C[NH3+] ZINC001220481495 1069557448 /nfs/dbraw/zinc/55/74/48/1069557448.db2.gz JFARNYJVHUMRFB-XHOAPHRNSA-N 1 3 455.600 -0.304 20 0 JBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NC[C@H]1O[C@H](C(C)C)O[C@@H]1C[NH3+] ZINC001220481527 1069557376 /nfs/dbraw/zinc/55/73/76/1069557376.db2.gz JTAJQTDCTAUWEC-BCCAQXGJSA-N 1 3 477.606 -0.346 20 0 JBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NC[C@H]1O[C@@H](C(C)C)O[C@@H]1C[NH3+] ZINC001220481528 1069557486 /nfs/dbraw/zinc/55/74/86/1069557486.db2.gz JTAJQTDCTAUWEC-XHDCSNGUSA-N 1 3 477.606 -0.346 20 0 JBADHO CC(=O)NCSC[C@H](N)C(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)N(C)C)CC[C@@H]1[NH3+] ZINC001220505500 1069558172 /nfs/dbraw/zinc/55/81/72/1069558172.db2.gz DHSGSRDQFZDNLH-LAIMCUOGSA-N 1 3 463.645 -0.564 20 0 JBADHO CC(=O)NCSC[C@H](N)C(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)N(C)C)CC[C@@H]1[NH3+] ZINC001220505501 1069557859 /nfs/dbraw/zinc/55/78/59/1069557859.db2.gz DHSGSRDQFZDNLH-QQPKDZIPSA-N 1 3 463.645 -0.564 20 0 JBADHO CC(=O)NCSC[C@H](N)C(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)N(C)C)CC[C@@H]1[NH3+] ZINC001220505502 1069558015 /nfs/dbraw/zinc/55/80/15/1069558015.db2.gz DHSGSRDQFZDNLH-RKYZWWOHSA-N 1 3 463.645 -0.564 20 0 JBADHO CC(=O)NCSC[C@H](N)C(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)N(C)C)CC[C@@H]1[NH3+] ZINC001220505503 1069558259 /nfs/dbraw/zinc/55/82/59/1069558259.db2.gz DHSGSRDQFZDNLH-ZRLASGMHSA-N 1 3 463.645 -0.564 20 0 JBADHO CCn1nnc2c1[C@H](C(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)N(C)C)CC[C@@H]1[NH3+])CNC2 ZINC001220505800 1069558733 /nfs/dbraw/zinc/55/87/33/1069558733.db2.gz HYWRLDKITDPUAM-IWIZTMAASA-N 1 3 467.615 -0.220 20 0 JBADHO CCn1nnc2c1[C@H](C(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)N(C)C)CC[C@@H]1[NH3+])CNC2 ZINC001220505801 1069558800 /nfs/dbraw/zinc/55/88/00/1069558800.db2.gz HYWRLDKITDPUAM-LRTAFXBWSA-N 1 3 467.615 -0.220 20 0 JBADHO CCn1nnc2c1[C@H](C(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)N(C)C)CC[C@@H]1[NH3+])CNC2 ZINC001220505802 1069558743 /nfs/dbraw/zinc/55/87/43/1069558743.db2.gz HYWRLDKITDPUAM-MBXOPGAJSA-N 1 3 467.615 -0.220 20 0 JBADHO CCn1nnc2c1[C@H](C(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)N(C)C)CC[C@@H]1[NH3+])CNC2 ZINC001220505803 1069558621 /nfs/dbraw/zinc/55/86/21/1069558621.db2.gz HYWRLDKITDPUAM-WKYCKFSASA-N 1 3 467.615 -0.220 20 0 JBADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H]2CCS(=O)(=O)C23CNC3)[C@H](O)OC(C)(C)C)C1 ZINC001220505930 1069558780 /nfs/dbraw/zinc/55/87/80/1069558780.db2.gz JNSNHYYZGDXLAJ-AOCJLEPCSA-N 1 3 476.640 -0.941 20 0 JBADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H]2CCS(=O)(=O)C23CNC3)[C@@H](O)OC(C)(C)C)C1 ZINC001220505933 1069558866 /nfs/dbraw/zinc/55/88/66/1069558866.db2.gz JNSNHYYZGDXLAJ-LIKKTTQLSA-N 1 3 476.640 -0.941 20 0 JBADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2CCS(=O)(=O)C23CNC3)[C@@H](O)OC(C)(C)C)C1 ZINC001220505934 1069558828 /nfs/dbraw/zinc/55/88/28/1069558828.db2.gz JNSNHYYZGDXLAJ-RKYZWWOHSA-N 1 3 476.640 -0.941 20 0 JBADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2CCS(=O)(=O)C23CNC3)[C@H](O)OC(C)(C)C)C1 ZINC001220505936 1069558669 /nfs/dbraw/zinc/55/86/69/1069558669.db2.gz JNSNHYYZGDXLAJ-ZRLASGMHSA-N 1 3 476.640 -0.941 20 0 JBADHO COC(=O)[C@@H]1C[C@H](C(=O)N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)N(C)C)CC[C@@H]2[NH3+])CCN1 ZINC001220506151 1069558567 /nfs/dbraw/zinc/55/85/67/1069558567.db2.gz LDIHOIBZYIDBTN-LCBCZDLHSA-N 1 3 458.600 -0.177 20 0 JBADHO COC(=O)[C@@H]1C[C@H](C(=O)N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)N(C)C)CC[C@@H]2[NH3+])CCN1 ZINC001220506152 1069558683 /nfs/dbraw/zinc/55/86/83/1069558683.db2.gz LDIHOIBZYIDBTN-MKGGJWCUSA-N 1 3 458.600 -0.177 20 0 JBADHO COC(=O)[C@@H]1C[C@H](C(=O)N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)N(C)C)CC[C@@H]2[NH3+])CCN1 ZINC001220506154 1069558850 /nfs/dbraw/zinc/55/88/50/1069558850.db2.gz LDIHOIBZYIDBTN-NLTWSFANSA-N 1 3 458.600 -0.177 20 0 JBADHO COC(=O)[C@@H]1C[C@H](C(=O)N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)N(C)C)CC[C@@H]2[NH3+])CCN1 ZINC001220506156 1069559458 /nfs/dbraw/zinc/55/94/58/1069559458.db2.gz LDIHOIBZYIDBTN-UBOIFNSRSA-N 1 3 458.600 -0.177 20 0 JBADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CNC(=O)[C@@H](N)COC(C)(C)C)[C@@H](O)OC(C)(C)C)C1 ZINC001220507239 1069560113 /nfs/dbraw/zinc/56/01/13/1069560113.db2.gz UQJSQMAXPOGWBM-KZVLABISSA-N 1 3 489.658 -0.459 20 0 JBADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CNC(=O)[C@@H](N)COC(C)(C)C)[C@@H](O)OC(C)(C)C)C1 ZINC001220507240 1069560064 /nfs/dbraw/zinc/56/00/64/1069560064.db2.gz UQJSQMAXPOGWBM-MXXNAXEESA-N 1 3 489.658 -0.459 20 0 JBADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CNC(=O)[C@@H](N)COC(C)(C)C)[C@H](O)OC(C)(C)C)C1 ZINC001220507241 1069559835 /nfs/dbraw/zinc/55/98/35/1069559835.db2.gz UQJSQMAXPOGWBM-NQDKFLQJSA-N 1 3 489.658 -0.459 20 0 JBADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CNC(=O)[C@@H](N)COC(C)(C)C)[C@H](O)OC(C)(C)C)C1 ZINC001220507242 1069559996 /nfs/dbraw/zinc/55/99/96/1069559996.db2.gz UQJSQMAXPOGWBM-OPLYSGQSSA-N 1 3 489.658 -0.459 20 0 JBADHO C[C@@H](O)[C@H]1C(=O)N[C@@H]1[C@H](C)C(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)N(C)C)CC[C@@H]1[NH3+] ZINC001220507331 1069559858 /nfs/dbraw/zinc/55/98/58/1069559858.db2.gz WCLLABYTOCBOGI-FNAHNWNWSA-N 1 3 458.600 -0.587 20 0 JBADHO C[C@@H](O)[C@H]1C(=O)N[C@@H]1[C@H](C)C(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)N(C)C)CC[C@@H]1[NH3+] ZINC001220507332 1069559967 /nfs/dbraw/zinc/55/99/67/1069559967.db2.gz WCLLABYTOCBOGI-GCJGGWGLSA-N 1 3 458.600 -0.587 20 0 JBADHO C[C@@H](O)[C@H]1C(=O)N[C@@H]1[C@H](C)C(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)N(C)C)CC[C@@H]1[NH3+] ZINC001220507333 1069560130 /nfs/dbraw/zinc/56/01/30/1069560130.db2.gz WCLLABYTOCBOGI-KDJJTKLASA-N 1 3 458.600 -0.587 20 0 JBADHO C[C@@H](O)[C@H]1C(=O)N[C@@H]1[C@H](C)C(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)N(C)C)CC[C@@H]1[NH3+] ZINC001220507334 1069560625 /nfs/dbraw/zinc/56/06/25/1069560625.db2.gz WCLLABYTOCBOGI-MTTNLPIESA-N 1 3 458.600 -0.587 20 0 JBADHO CCOC(=O)C1=C(NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](N)C(C)C)CC[NH2+]C1 ZINC001220523135 1069561745 /nfs/dbraw/zinc/56/17/45/1069561745.db2.gz JOUDQKNLSMZNQC-FPOVZHCZSA-N 1 3 473.574 -0.260 20 0 JBADHO CCOC(=O)C1=C(NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)N)CC[NH2+]C1 ZINC001220523141 1069561757 /nfs/dbraw/zinc/56/17/57/1069561757.db2.gz JTPCGNMYXKEWEZ-WBAXXEDZSA-N 1 3 451.568 -0.218 20 0 JBADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NC[C@@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001220536075 1069561851 /nfs/dbraw/zinc/56/18/51/1069561851.db2.gz ULVUDDWXOXAKGO-WMQCIHAUSA-N 1 3 455.559 -0.127 20 0 JBADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NC[C@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001220536076 1069562340 /nfs/dbraw/zinc/56/23/40/1069562340.db2.gz ULVUDDWXOXAKGO-YYWHXJBOSA-N 1 3 455.559 -0.127 20 0 JBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)NC1CCN(S(=O)(=O)c2ccccn2)CC1 ZINC001220622609 1069566092 /nfs/dbraw/zinc/56/60/92/1069566092.db2.gz QTRZCWWEXYDQIC-ROUUACIJSA-N 1 3 466.608 -0.202 20 0 JBADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCc1ccccc1N1CC[NH2+]CC1)C(=O)CF ZINC001220651847 1069565920 /nfs/dbraw/zinc/56/59/20/1069565920.db2.gz QHIKQTHRDDTGRX-ZJBJCVSYSA-N 1 3 492.596 -0.386 20 0 JBADHO C[C@H](N)C(=O)N1[C@H](C(=O)N(CC[NH3+])c2ccc(S(=O)(=O)N(C)C)c3nonc32)COC1(C)C ZINC001220747859 1069566969 /nfs/dbraw/zinc/56/69/69/1069566969.db2.gz AEEPEZPMDPTNGJ-AAEUAGOBSA-N 1 3 483.551 -0.925 20 0 JBADHO C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N(CC[NH3+])c1ccc(S(=O)(=O)N(C)C)c2nonc21 ZINC001220748073 1069567576 /nfs/dbraw/zinc/56/75/76/1069567576.db2.gz DGOZOVNPVQTBAT-AAEUAGOBSA-N 1 3 453.525 -0.897 20 0 JBADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N(CC[NH3+])c1ccc(S(=O)(=O)N(C)C)c2nonc21 ZINC001220748139 1069567510 /nfs/dbraw/zinc/56/75/10/1069567510.db2.gz GEKZUXCJNKLIBH-STQMWFEESA-N 1 3 469.568 -0.357 20 0 JBADHO CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)CN2CCCC[C@H](N)C2=O)c2nonc21 ZINC001220748850 1069568175 /nfs/dbraw/zinc/56/81/75/1069568175.db2.gz OBWDBRALNRPUMU-LBPRGKRZSA-N 1 3 453.525 -0.895 20 0 JBADHO CC(C)C[C@H](N)C(=O)NCC(=O)N(CC[NH3+])c1ccc(S(=O)(=O)N(C)C)c2nonc21 ZINC001220749060 1069568280 /nfs/dbraw/zinc/56/82/80/1069568280.db2.gz OFWIWGYQYHYICW-LBPRGKRZSA-N 1 3 455.541 -0.746 20 0 JBADHO CC(=O)NCCCC[C@H](N)C(=O)N(CC[NH3+])c1ccc(S(=O)(=O)N(C)C)c2nonc21 ZINC001220749086 1069568041 /nfs/dbraw/zinc/56/80/41/1069568041.db2.gz PREMBVLVSPIBLO-ZDUSSCGKSA-N 1 3 455.541 -0.602 20 0 JBADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N(CC[NH3+])c1ccc(S(=O)(=O)N(C)C)c2nonc21 ZINC001220749410 1069568089 /nfs/dbraw/zinc/56/80/89/1069568089.db2.gz UYWDAXXNKINBBM-NHYWBVRUSA-N 1 3 455.541 -0.746 20 0 JBADHO Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2NC(=O)[C@@H](N)CCCC[NH3+])cc1 ZINC001220765998 1069569770 /nfs/dbraw/zinc/56/97/70/1069569770.db2.gz JMLJFJPSUYEOFD-PJDYVGSDSA-N 1 3 489.529 -0.686 20 0 JBADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC[C@@H]1CC[NH2+][C@H]1c1cccnc1)C(=O)CF ZINC001220790854 1069571771 /nfs/dbraw/zinc/57/17/71/1069571771.db2.gz VHAJABQMHWYRPD-CCTJXGJQSA-N 1 3 478.569 -0.250 20 0 JBADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC[C@H]1CC[NH2+][C@@H]1c1cccnc1)C(=O)CF ZINC001220790856 1069571655 /nfs/dbraw/zinc/57/16/55/1069571655.db2.gz VHAJABQMHWYRPD-OZBUEDOWSA-N 1 3 478.569 -0.250 20 0 JBADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC[C@H]1CC[NH2+][C@H]1c1cccnc1)C(=O)CF ZINC001220790858 1069571595 /nfs/dbraw/zinc/57/15/95/1069571595.db2.gz VHAJABQMHWYRPD-QFTGIQBFSA-N 1 3 478.569 -0.250 20 0 JBADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC[C@@H]1CC[NH2+][C@@H]1c1cccnc1)C(=O)CF ZINC001220790859 1069571684 /nfs/dbraw/zinc/57/16/84/1069571684.db2.gz VHAJABQMHWYRPD-SIPRGPJJSA-N 1 3 478.569 -0.250 20 0 JBADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N[C@H]1CC[NH2+]C[C@H]1C(F)(F)F)C(=O)CF ZINC001220805648 1069572297 /nfs/dbraw/zinc/57/22/97/1069572297.db2.gz UMODRYFOLDBJQB-AWYNBESOSA-N 1 3 469.480 -0.456 20 0 JBADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C(F)(F)F)C(=O)CF ZINC001220805649 1069572448 /nfs/dbraw/zinc/57/24/48/1069572448.db2.gz UMODRYFOLDBJQB-DJUFWWRVSA-N 1 3 469.480 -0.456 20 0 JBADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N[C@H]1CC[NH2+]C[C@@H]1C(F)(F)F)C(=O)CF ZINC001220805651 1069572263 /nfs/dbraw/zinc/57/22/63/1069572263.db2.gz UMODRYFOLDBJQB-YTORKDELSA-N 1 3 469.480 -0.456 20 0 JBADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N[C@@H]1CC[NH2+]C[C@H]1C(F)(F)F)C(=O)CF ZINC001220805653 1069572384 /nfs/dbraw/zinc/57/23/84/1069572384.db2.gz UMODRYFOLDBJQB-ZWEPEPIOSA-N 1 3 469.480 -0.456 20 0 JBADHO CCOC(=O)C1=C(NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](N)C(C)C)C[NH2+]C1 ZINC001220829980 1069572404 /nfs/dbraw/zinc/57/24/04/1069572404.db2.gz IKUDGMVYAMNDMJ-PXNSSMCTSA-N 1 3 459.547 -0.650 20 0 JBADHO CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)NCC(=O)N1CCN(C2CCCCC2)CC1 ZINC001220901196 1069574444 /nfs/dbraw/zinc/57/44/44/1069574444.db2.gz SXNSEUPDGDSHGS-SFTDATJTSA-N 1 3 492.665 -0.021 20 0 JBADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N(C1COC1)[C@H]1CC[C@H]([NH3+])CC1)C(=O)CF ZINC001220931183 1069574278 /nfs/dbraw/zinc/57/42/78/1069574278.db2.gz YEECOVBAWXRGJS-BHZNCXQASA-N 1 3 471.574 -0.615 20 0 JBADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N(c1ccncn1)[C@H]1CC[C@H]([NH3+])CC1)C(=O)CF ZINC001220941370 1069575173 /nfs/dbraw/zinc/57/51/73/1069575173.db2.gz PDMHYCLHSHWAAR-QHXHSKPESA-N 1 3 493.584 -0.019 20 0 JBADHO N[C@@H](CCCNC(=O)c1cnccn1)C(=O)N1CCC([NH3+])(C(=O)NCc2ccccc2)CC1 ZINC001220968986 1069576346 /nfs/dbraw/zinc/57/63/46/1069576346.db2.gz JXCBPBZGZJCPOY-SFHVURJKSA-N 1 3 453.547 -0.050 20 0 JBADHO CCC(CC)[C@@H](NC(=O)[C@@H](N)CCCNC(=O)c1cnccn1)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221068438 1069577966 /nfs/dbraw/zinc/57/79/66/1069577966.db2.gz YLFXVFDEESQUJY-MYOQPVCSSA-N 1 3 478.594 -0.268 20 0 JBADHO COC(=O)[C@H](CCCC[NH3+])N(C(=O)[C@H]1COC2(CNC2)CN1)S(=O)(=O)c1ccc(C)cc1 ZINC001221086674 1069577854 /nfs/dbraw/zinc/57/78/54/1069577854.db2.gz CKAGLGPZYMSPLU-MSOLQXFVSA-N 1 3 468.576 -0.487 20 0 JBADHO COC(=O)[C@H](CCCC[NH3+])N(C(=O)[C@@H]1COC2(CNC2)CN1)S(=O)(=O)c1ccc(C)cc1 ZINC001221086675 1069577923 /nfs/dbraw/zinc/57/79/23/1069577923.db2.gz CKAGLGPZYMSPLU-ROUUACIJSA-N 1 3 468.576 -0.487 20 0 JBADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCC1(c2ccccn2)CC[NH2+]CC1)C(=O)CF ZINC001221114027 1069578434 /nfs/dbraw/zinc/57/84/34/1069578434.db2.gz KDWOOZKSUUOLJI-FIKGOQFSSA-N 1 3 492.596 -0.280 20 0 JBADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC1(c2cccnc2)CC[NH2+]CC1)C(=O)CF ZINC001221123934 1069578327 /nfs/dbraw/zinc/57/83/27/1069578327.db2.gz PGHLEGXWGBHLGT-KNBMTAEXSA-N 1 3 478.569 -0.322 20 0 JBADHO COCCC1([NH3+])CCN(C(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)CF)CC1 ZINC001221134214 1069578517 /nfs/dbraw/zinc/57/85/17/1069578517.db2.gz PZRHMCVEBCIKLF-MPGHIAIKSA-N 1 3 459.563 -0.756 20 0 JBADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C[NH3+])C(=O)OCC1c2ccccc2-c2ccccc21 ZINC001221239936 1069584592 /nfs/dbraw/zinc/58/45/92/1069584592.db2.gz XHEABFNPGBWESS-MRFFXTKBSA-N 1 3 467.526 -0.507 20 0 JBADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C[NH3+])C(=O)OCC1c2ccccc2-c2ccccc21 ZINC001221239937 1069584304 /nfs/dbraw/zinc/58/43/04/1069584304.db2.gz XHEABFNPGBWESS-QTJFZDIUSA-N 1 3 467.526 -0.507 20 0 JBADHO C[C@H](N)C(=O)N[C@H](CCC(=O)N[C@@H](C[NH3+])C(=O)OCC1c2ccccc2-c2ccccc21)C(N)=O ZINC001221239940 1069584325 /nfs/dbraw/zinc/58/43/25/1069584325.db2.gz XHYWNTUIKITFTB-DLPLYFIVSA-N 1 3 481.553 -0.117 20 0 JBADHO C[C@H](N)C(=O)N[C@H](CCC(=O)N[C@H](C[NH3+])C(=O)OCC1c2ccccc2-c2ccccc21)C(N)=O ZINC001221239941 1069584570 /nfs/dbraw/zinc/58/45/70/1069584570.db2.gz XHYWNTUIKITFTB-LVXYXVKQSA-N 1 3 481.553 -0.117 20 0 JBADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC[C@]1(CC2CC2)CCC[NH2+]1)C(=O)CF ZINC001221248287 1069584437 /nfs/dbraw/zinc/58/44/37/1069584437.db2.gz PRAGWJWZASVOJW-WAXYGOQGSA-N 1 3 455.575 -0.074 20 0 JBADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N([C@H](c1ccccc1)[C@H]([NH3+])c1ccccc1)S(C)(=O)=O ZINC001221273487 1069585317 /nfs/dbraw/zinc/58/53/17/1069585317.db2.gz ALMWGNJIKVVZPV-GIPAHHNCSA-N 1 3 475.571 -0.077 20 0 JBADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1Cc2ccccc2C[C@H]1C[NH3+])C(=O)CF ZINC001221332180 1069586228 /nfs/dbraw/zinc/58/62/28/1069586228.db2.gz IBCSKUXRNCECFO-YRFFXBIPSA-N 1 3 463.554 -0.200 20 0 JBADHO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1CNC[C@H](F)C1)C(N)=O ZINC001221351060 1069589774 /nfs/dbraw/zinc/58/97/74/1069589774.db2.gz CUQYYOOPSWFTJK-ADHGMGHFSA-N 1 3 470.590 -0.835 20 0 JBADHO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1CNC[C@@H](F)C1)C(N)=O ZINC001221351064 1069589805 /nfs/dbraw/zinc/58/98/05/1069589805.db2.gz CUQYYOOPSWFTJK-ATIWLJMLSA-N 1 3 470.590 -0.835 20 0 JBADHO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1CNC[C@@H](F)C1)C(N)=O ZINC001221351066 1069589579 /nfs/dbraw/zinc/58/95/79/1069589579.db2.gz CUQYYOOPSWFTJK-FPSMNIFISA-N 1 3 470.590 -0.835 20 0 JBADHO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1CNC[C@H](F)C1)C(N)=O ZINC001221351068 1069589643 /nfs/dbraw/zinc/58/96/43/1069589643.db2.gz CUQYYOOPSWFTJK-ZBRFXRBCSA-N 1 3 470.590 -0.835 20 0 JBADHO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)C1(N)CC(F)C1)C(N)=O ZINC001221351591 1069590264 /nfs/dbraw/zinc/59/02/64/1069590264.db2.gz JNLOQSNLFZRWBJ-WOVJRVSISA-N 1 3 456.563 -0.953 20 0 JBADHO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)C[C@H]1CCNC[C@H]1F)C(N)=O ZINC001221352181 1069592445 /nfs/dbraw/zinc/59/24/45/1069592445.db2.gz SCGDCKCKFKAOBV-JGLNRKDHSA-N 1 3 484.617 -0.445 20 0 JBADHO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)C[C@H]1CCNC[C@@H]1F)C(N)=O ZINC001221352182 1069592551 /nfs/dbraw/zinc/59/25/51/1069592551.db2.gz SCGDCKCKFKAOBV-NSOKGPEJSA-N 1 3 484.617 -0.445 20 0 JBADHO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)C[C@@H]1CCNC[C@H]1F)C(N)=O ZINC001221352183 1069592313 /nfs/dbraw/zinc/59/23/13/1069592313.db2.gz SCGDCKCKFKAOBV-STEXWYFWSA-N 1 3 484.617 -0.445 20 0 JBADHO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)C[C@@H]1CCNC[C@@H]1F)C(N)=O ZINC001221352184 1069592205 /nfs/dbraw/zinc/59/22/05/1069592205.db2.gz SCGDCKCKFKAOBV-VKESLTNKSA-N 1 3 484.617 -0.445 20 0 JBADHO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)C1(N)CCCC1)C(N)=O ZINC001221352478 1069592149 /nfs/dbraw/zinc/59/21/49/1069592149.db2.gz VEAYQNHGEJETGG-ULQDDVLXSA-N 1 3 452.600 -0.511 20 0 JBADHO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)C(N)C(F)(F)F)C(N)=O ZINC001221352569 1069593201 /nfs/dbraw/zinc/59/32/01/1069593201.db2.gz XBBWQKHHFJTJPD-XDQVBPFNSA-N 1 3 466.505 -0.893 20 0 JBADHO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)C(N)C(F)(F)F)C(N)=O ZINC001221352572 1069593065 /nfs/dbraw/zinc/59/30/65/1069593065.db2.gz XBBWQKHHFJTJPD-XUXIUFHCSA-N 1 3 466.505 -0.893 20 0 JBADHO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)c1ccc(CN)nc1)C(N)=O ZINC001221352643 1069593050 /nfs/dbraw/zinc/59/30/50/1069593050.db2.gz XFXBHPZKVIGGFO-FHWLQOOXSA-N 1 3 475.594 -0.615 20 0 JBADHO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](N)CC1CCC1)C(N)=O ZINC001221352699 1069593628 /nfs/dbraw/zinc/59/36/28/1069593628.db2.gz YRPMRGHUMWZQKW-VJANTYMQSA-N 1 3 466.627 -0.265 20 0 JBADHO Cc1cc(=O)oc2cc(NC(=O)[C@@H](N)CCCCNC(=O)CN(CC[NH3+])S(C)(=O)=O)ccc12 ZINC001221352811 1069593694 /nfs/dbraw/zinc/59/36/94/1069593694.db2.gz HANDAYCRTYAEMW-KRWDZBQOSA-N 1 3 481.575 -0.126 20 0 JBADHO Cc1cc(=O)oc2cc(NC(=O)[C@@H](N)CCCCNC(=O)[C@@H]3COC4(C[NH2+]C4)CN3)ccc12 ZINC001221353614 1069593786 /nfs/dbraw/zinc/59/37/86/1069593786.db2.gz PZBMHDXQDWRXSW-ROUUACIJSA-N 1 3 457.531 -0.016 20 0 JBADHO Cc1cc(=O)oc2cc(NC(=O)[C@@H](N)CCCCNC(=O)[C@H]3COC4(C[NH2+]C4)CN3)ccc12 ZINC001221353621 1069593659 /nfs/dbraw/zinc/59/36/59/1069593659.db2.gz PZBMHDXQDWRXSW-ZWKOTPCHSA-N 1 3 457.531 -0.016 20 0 JBADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N(c1cc(-c2ccc(C[NH3+])cc2)nn(C)c1=O)C(C)(C)C ZINC001221358762 1069593943 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CC(=O)N[C@@H](CCCCN[C@@H]1CCC[NH2+]C1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C ZINC001246485432 1069652492 /nfs/dbraw/zinc/65/24/92/1069652492.db2.gz LJTOABNOZUTBNE-FYQPLNBISA-N 1 3 466.627 -0.380 20 0 JBADHO CC(=O)N[C@@H](CCCCN[C@H]1CCC[NH2+]C1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C ZINC001246485433 1069652304 /nfs/dbraw/zinc/65/23/04/1069652304.db2.gz LJTOABNOZUTBNE-MUGJNUQGSA-N 1 3 466.627 -0.380 20 0 JBADHO CC(=O)N[C@@H](CCCC[NH2+]C1CCNCC1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C ZINC001246489774 1069653182 /nfs/dbraw/zinc/65/31/82/1069653182.db2.gz YFHWTUFWRLOCAE-UFYCRDLUSA-N 1 3 466.627 -0.380 20 0 JBADHO CC(=O)N[C@@H](CCCCN[C@@H]1CCC[NH2+]C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(N)=O)C(C)C ZINC001246512312 1069654417 /nfs/dbraw/zinc/65/44/17/1069654417.db2.gz LJTOABNOZUTBNE-FUMNGEBKSA-N 1 3 466.627 -0.380 20 0 JBADHO CC(=O)N[C@@H](CCCCN[C@H]1CCC[NH2+]C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(N)=O)C(C)C ZINC001246512313 1069654561 /nfs/dbraw/zinc/65/45/61/1069654561.db2.gz LJTOABNOZUTBNE-LWYYNNOASA-N 1 3 466.627 -0.380 20 0 JBADHO CNC(=O)[C@H](CCCNC(=[NH2+])N[C@@H]1CC[C@@H](C(=O)OC)[C@H](C(=O)OC)C1)NC(=O)[C@@H](N)CC(C)C ZINC001246512880 1069654666 /nfs/dbraw/zinc/65/46/66/1069654666.db2.gz GTUWZIJLXKPKRD-DZVNLGKHSA-N 1 3 498.625 -0.384 20 0 JBADHO CNC(=O)[C@H](CCCNC(=[NH2+])N[C@H]1CC[C@@H](C(=O)OC)[C@H](C(=O)OC)C1)NC(=O)[C@@H](N)CC(C)C ZINC001246512882 1069654527 /nfs/dbraw/zinc/65/45/27/1069654527.db2.gz GTUWZIJLXKPKRD-PNKHAZJDSA-N 1 3 498.625 -0.384 20 0 JBADHO CC(=O)N[C@@H](CCCC[NH2+]C1CCNCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(N)=O)C(C)C ZINC001246514041 1069654723 /nfs/dbraw/zinc/65/47/23/1069654723.db2.gz YFHWTUFWRLOCAE-SLFFLAALSA-N 1 3 466.627 -0.380 20 0 JBADHO CNC(=O)[C@H](CCCNC(=[NH2+])NC1CCN(c2ncccn2)CC1)NC(=O)[C@@H](N)CC(C)C ZINC001246514485 1069654626 /nfs/dbraw/zinc/65/46/26/1069654626.db2.gz NMMPAOLTRPCNNB-ROUUACIJSA-N 1 3 461.615 -0.056 20 0 JBADHO CCOC(=O)CN1CCC(NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H](N)CC(C)C)C(=O)NC)CC1 ZINC001246515132 1069654598 /nfs/dbraw/zinc/65/45/98/1069654598.db2.gz OQHMVPPZWBHSQS-ROUUACIJSA-N 1 3 469.631 -0.488 20 0 JBADHO CNC(=O)[C@H](CCCNC(=[NH2+])N[C@H](C)CC(=O)N1CCOCC1)NC(=O)[C@@H](N)CC(C)C ZINC001246516467 1069655564 /nfs/dbraw/zinc/65/55/64/1069655564.db2.gz WKBWTQIGOQBAFH-IKGGRYGDSA-N 1 3 455.604 -0.878 20 0 JBADHO CNC(=O)[C@H](CCCNC(=[NH2+])N[C@@H](C)CC(=O)N1CCOCC1)NC(=O)[C@@H](N)CC(C)C ZINC001246516468 1069655365 /nfs/dbraw/zinc/65/53/65/1069655365.db2.gz WKBWTQIGOQBAFH-ULQDDVLXSA-N 1 3 455.604 -0.878 20 0 JBADHO CNC(=O)[C@H](CCCNC(=[NH2+])N[C@@H]1CCC[C@@H](n2ncnn2)C1)NC(=O)[C@@H](N)CC(C)C ZINC001246517332 1069655322 /nfs/dbraw/zinc/65/53/22/1069655322.db2.gz BRUASNVBEQNKMV-NCOADZHNSA-N 1 3 450.592 -0.345 20 0 JBADHO CNC(=O)[C@H](CCCNC(=[NH2+])N[C@H]1CCC[C@H](n2ncnn2)C1)NC(=O)[C@@H](N)CC(C)C ZINC001246517351 1069655342 /nfs/dbraw/zinc/65/53/42/1069655342.db2.gz BRUASNVBEQNKMV-QAETUUGQSA-N 1 3 450.592 -0.345 20 0 JBADHO CNC(=O)[C@H](CCCNC(=[NH2+])N[C@@H]1CCC[C@H](n2ncnn2)C1)NC(=O)[C@@H](N)CC(C)C ZINC001246517353 1069655506 /nfs/dbraw/zinc/65/55/06/1069655506.db2.gz BRUASNVBEQNKMV-QZWWFDLISA-N 1 3 450.592 -0.345 20 0 JBADHO CNC(=O)[C@H](CCCNC(=[NH2+])N[C@H]1CCC[C@@H](n2ncnn2)C1)NC(=O)[C@@H](N)CC(C)C ZINC001246517356 1069655337 /nfs/dbraw/zinc/65/53/37/1069655337.db2.gz BRUASNVBEQNKMV-YVSFHVDLSA-N 1 3 450.592 -0.345 20 0 JBADHO CNC(=O)[C@H](CCCNC(=[NH2+])NC1CCC(S(C)(=O)=O)CC1)NC(=O)[C@@H](N)CC(C)C ZINC001246517976 1069655478 /nfs/dbraw/zinc/65/54/78/1069655478.db2.gz DHCMSWIDYVUUCG-GQGLESIBSA-N 1 3 460.645 -0.159 20 0 JBADHO CNC(=O)[C@H](CCCNC(=[NH2+])N[C@@H]1C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C1)NC(=O)[C@@H](N)CC(C)C ZINC001246519879 1069655573 /nfs/dbraw/zinc/65/55/73/1069655573.db2.gz LHSABWQORRLMCP-KSWRQPAISA-N 1 3 484.598 -0.774 20 0 JBADHO CNC(=O)[C@H](CCCNC(=[NH2+])N[C@H]1C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C1)NC(=O)[C@@H](N)CC(C)C ZINC001246519880 1069655448 /nfs/dbraw/zinc/65/54/48/1069655448.db2.gz LHSABWQORRLMCP-QEOTZNIISA-N 1 3 484.598 -0.774 20 0 JBADHO COC(=O)C1C[C@@H]2CC(n3cnc(C[C@H](N)C(=O)N[C@@H](Cc4ccc(O)cc4)C(N)=O)c3)C[C@H](C1)[NH2+]2 ZINC001246526572 1069656394 /nfs/dbraw/zinc/65/63/94/1069656394.db2.gz VJBXKJBYYFSCAG-NKNNHUBMSA-N 1 3 498.584 -0.084 20 0 JBADHO CCOC(=O)[C@H]1CC[C@@H](NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H](N)CC(C)C)C(=O)NC)CO1 ZINC001246527132 1069656421 /nfs/dbraw/zinc/65/64/21/1069656421.db2.gz YIOBXNZCGHZDRH-LTIDMASMSA-N 1 3 456.588 -0.405 20 0 JBADHO CCOC(=O)[C@H]1CC[C@H](NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H](N)CC(C)C)C(=O)NC)CO1 ZINC001246527140 1069656345 /nfs/dbraw/zinc/65/63/45/1069656345.db2.gz YIOBXNZCGHZDRH-LUKYLMHMSA-N 1 3 456.588 -0.405 20 0 JBADHO CCOC(=O)[C@@H]1CC[C@H](NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H](N)CC(C)C)C(=O)NC)CO1 ZINC001246527142 1069656377 /nfs/dbraw/zinc/65/63/77/1069656377.db2.gz YIOBXNZCGHZDRH-QAETUUGQSA-N 1 3 456.588 -0.405 20 0 JBADHO CCOC(=O)[C@@H]1CC[C@@H](NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H](N)CC(C)C)C(=O)NC)CO1 ZINC001246527144 1069656230 /nfs/dbraw/zinc/65/62/30/1069656230.db2.gz YIOBXNZCGHZDRH-QZWWFDLISA-N 1 3 456.588 -0.405 20 0 JBADHO CS(=O)(=O)N1CC[C@@]2(C(=O)N3CCOCC3)CC[N@H+]([C@@H]3CCOC4(CNC4)C3)CC[C@@H]12 ZINC001246700172 1069657373 /nfs/dbraw/zinc/65/73/73/1069657373.db2.gz GGESGNFOYYOKCE-OPYAIIAOSA-N 1 3 456.609 -0.518 20 0 JBADHO CS(=O)(=O)N1CC[C@@]2(C(=O)N3CCOCC3)CC[N@@H+]([C@@H]3CCOC4(CNC4)C3)CC[C@@H]12 ZINC001246700172 1069657371 /nfs/dbraw/zinc/65/73/71/1069657371.db2.gz GGESGNFOYYOKCE-OPYAIIAOSA-N 1 3 456.609 -0.518 20 0 JBADHO CS(=O)(=O)N1CC[C@@]2(C(=O)N3CCOCC3)CC[N@H+]([C@H]3CCOC4(CNC4)C3)CC[C@@H]12 ZINC001246700184 1069657180 /nfs/dbraw/zinc/65/71/80/1069657180.db2.gz GGESGNFOYYOKCE-UEXGIBASSA-N 1 3 456.609 -0.518 20 0 JBADHO CS(=O)(=O)N1CC[C@@]2(C(=O)N3CCOCC3)CC[N@@H+]([C@H]3CCOC4(CNC4)C3)CC[C@@H]12 ZINC001246700184 1069657176 /nfs/dbraw/zinc/65/71/76/1069657176.db2.gz GGESGNFOYYOKCE-UEXGIBASSA-N 1 3 456.609 -0.518 20 0 JBADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1nc(-c2ccc3c(n2)CC[NH2+]C3)no1)C(=O)CF ZINC001249192051 1069669850 /nfs/dbraw/zinc/66/98/50/1069669850.db2.gz YKXCEYAXRLAOGV-UVIMBBFXSA-N 1 3 475.525 -0.169 20 0 JBADHO C[NH+]1CCC(N2CCC(NC(=O)Cn3c4ccc(S(N)(=O)=O)cc4oc3=O)CC2)CC1 ZINC001251394683 1069676386 /nfs/dbraw/zinc/67/63/86/1069676386.db2.gz AQNVVOLITJBXLG-UHFFFAOYSA-N 1 3 451.549 -0.083 20 0 JBADHO NC(=O)CNC(=O)[C@H](Cc1cn(C2CCC(F)(F)CC2)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001254216986 1069705177 /nfs/dbraw/zinc/70/51/77/1069705177.db2.gz OTUDHPFZJXALDU-HOTGVXAUSA-N 1 3 457.526 -0.281 20 0 JBADHO NC(=O)CNC(=O)[C@H](Cc1cn(C2Cc3ccccc3C2)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001255019053 1069711995 /nfs/dbraw/zinc/71/19/95/1069711995.db2.gz KHHQISJMLQZLGM-PMACEKPBSA-N 1 3 455.563 -0.692 20 0 JBADHO CCOC(=O)C1CCC(n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)CC1 ZINC001255258146 1069713054 /nfs/dbraw/zinc/71/30/54/1069713054.db2.gz KXAUSNCCKISCIK-FYOYPEGLSA-N 1 3 493.609 -0.737 20 0 JBADHO CCOC(=O)[C@@H]1CCC[C@H](n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)C1 ZINC001255358623 1069714141 /nfs/dbraw/zinc/71/41/41/1069714141.db2.gz XRGUMKFHRDYHNU-BVBHFADKSA-N 1 3 493.609 -0.737 20 0 JBADHO CCOC(=O)[C@H]1CCC[C@@H](n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)C1 ZINC001255358846 1069714046 /nfs/dbraw/zinc/71/40/46/1069714046.db2.gz XRGUMKFHRDYHNU-NQYYFHDYSA-N 1 3 493.609 -0.737 20 0 JBADHO CCOC(=O)[C@H]1CCC[C@H](n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)C1 ZINC001255358847 1069713672 /nfs/dbraw/zinc/71/36/72/1069713672.db2.gz XRGUMKFHRDYHNU-WNHJNPCNSA-N 1 3 493.609 -0.737 20 0 JBADHO CCOC(=O)[C@@H]1CCC[C@@H](n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)C1 ZINC001255358848 1069714082 /nfs/dbraw/zinc/71/40/82/1069714082.db2.gz XRGUMKFHRDYHNU-YSHGAJCASA-N 1 3 493.609 -0.737 20 0 JBADHO COC1CCC(n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)CC1 ZINC001255455753 1069714113 /nfs/dbraw/zinc/71/41/13/1069714113.db2.gz MJEQWUSHWSYBJM-FOIPXRHGSA-N 1 3 451.572 -0.902 20 0 JBADHO CC1(C)C[C@H](n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)CCO1 ZINC001255534422 1069714820 /nfs/dbraw/zinc/71/48/20/1069714820.db2.gz DOQCMZYYUCWANJ-IKGGRYGDSA-N 1 3 451.572 -0.902 20 0 JBADHO CC1(C)C[C@@H](n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)CCO1 ZINC001255534424 1069715012 /nfs/dbraw/zinc/71/50/12/1069715012.db2.gz DOQCMZYYUCWANJ-ULQDDVLXSA-N 1 3 451.572 -0.902 20 0 JBADHO C[C@H](Cc1ccccc1F)n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001255842854 1069715966 /nfs/dbraw/zinc/71/59/66/1069715966.db2.gz YZFBTIBGMIEFMZ-XPGWFJOJSA-N 1 3 475.569 -0.089 20 0 JBADHO C[C@@H](Cc1ccccc1F)n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001255842855 1069715707 /nfs/dbraw/zinc/71/57/07/1069715707.db2.gz YZFBTIBGMIEFMZ-YSSFQJQWSA-N 1 3 475.569 -0.089 20 0 JBADHO C[C@H](Cc1ccc(F)cc1)n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001255865988 1069715586 /nfs/dbraw/zinc/71/55/86/1069715586.db2.gz HKMZVADDDBZLKK-XPGWFJOJSA-N 1 3 475.569 -0.089 20 0 JBADHO C[C@@H](Cc1ccc(F)cc1)n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001255865989 1069715871 /nfs/dbraw/zinc/71/58/71/1069715871.db2.gz HKMZVADDDBZLKK-YSSFQJQWSA-N 1 3 475.569 -0.089 20 0 JBADHO CCOC(=O)N1CC[C@H](N[C@@H](CCCC[NH3+])C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)C(C)C)C1 ZINC001256026144 1069717758 /nfs/dbraw/zinc/71/77/58/1069717758.db2.gz TWMFUDOURVNNLV-VJANTYMQSA-N 1 3 482.626 -0.079 20 0 JBADHO CCOC(=O)N1CC[C@@H](N[C@@H](CCCC[NH3+])C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)C(C)C)C1 ZINC001256026153 1069717798 /nfs/dbraw/zinc/71/77/98/1069717798.db2.gz TWMFUDOURVNNLV-XWSJACJDSA-N 1 3 482.626 -0.079 20 0 JBADHO COc1cccc(C[C@@H](C)n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)c1 ZINC001256156254 1069718278 /nfs/dbraw/zinc/71/82/78/1069718278.db2.gz MCUGPANDIALHPI-CZAAIQMYSA-N 1 3 487.605 -0.220 20 0 JBADHO COc1cccc(C[C@H](C)n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)c1 ZINC001256156269 1069718622 /nfs/dbraw/zinc/71/86/22/1069718622.db2.gz MCUGPANDIALHPI-NDXORKPFSA-N 1 3 487.605 -0.220 20 0 JBADHO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])N[C@@H](C)CC(=O)N1CCOCC1)C(N)=O ZINC001256333660 1069720000 /nfs/dbraw/zinc/72/00/00/1069720000.db2.gz LXLRWXNAJMAMEQ-IWFBPKFRSA-N 1 3 496.653 -0.672 20 0 JBADHO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])N[C@H](C)CC(=O)N1CCOCC1)C(N)=O ZINC001256333661 1069720185 /nfs/dbraw/zinc/72/01/85/1069720185.db2.gz LXLRWXNAJMAMEQ-JKBKZWBZSA-N 1 3 496.653 -0.672 20 0 JBADHO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC1CCS(=O)(=O)CC1)C(N)=O ZINC001256384060 1069721905 /nfs/dbraw/zinc/72/19/05/1069721905.db2.gz SLOPJZFRCOJHIU-BZSNNMDCSA-N 1 3 473.640 -0.732 20 0 JBADHO C[C@H](Cc1ccccn1)n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001256408667 1069721613 /nfs/dbraw/zinc/72/16/13/1069721613.db2.gz BPQKMVPAMABEII-MNEFBYGVSA-N 1 3 458.567 -0.833 20 0 JBADHO C[C@@H](Cc1ccccn1)n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001256408669 1069721631 /nfs/dbraw/zinc/72/16/31/1069721631.db2.gz BPQKMVPAMABEII-SNRMKQJTSA-N 1 3 458.567 -0.833 20 0 JBADHO CCOC1CCC(n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)CC1 ZINC001256437043 1069721562 /nfs/dbraw/zinc/72/15/62/1069721562.db2.gz MUJLDQFJACDTLZ-BTRQGYIVSA-N 1 3 465.599 -0.512 20 0 JBADHO COc1cccc2c1CC[C@@H](n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1)C2 ZINC001256643630 1069722665 /nfs/dbraw/zinc/72/26/65/1069722665.db2.gz OYYBBNKQPWIJDJ-GIVPXCGWSA-N 1 3 499.616 -0.293 20 0 JBADHO COc1cccc2c1CC[C@H](n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1)C2 ZINC001256643631 1069722499 /nfs/dbraw/zinc/72/24/99/1069722499.db2.gz OYYBBNKQPWIJDJ-JBACZVJFSA-N 1 3 499.616 -0.293 20 0 JBADHO C[C@H](Cc1ccncc1)n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001256734268 1069723252 /nfs/dbraw/zinc/72/32/52/1069723252.db2.gz WJYHEEADDQSVHO-MNEFBYGVSA-N 1 3 458.567 -0.833 20 0 JBADHO C[C@@H](Cc1ccncc1)n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001256734269 1069723642 /nfs/dbraw/zinc/72/36/42/1069723642.db2.gz WJYHEEADDQSVHO-SNRMKQJTSA-N 1 3 458.567 -0.833 20 0 JBADHO COC(=O)CC1CCC(n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)CC1 ZINC001256982183 1069723484 /nfs/dbraw/zinc/72/34/84/1069723484.db2.gz QXGLYQUHCWEHID-FYOYPEGLSA-N 1 3 493.609 -0.737 20 0 JBADHO C[C@@H]1CC(n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)C[C@@H](C)O1 ZINC001257086281 1069724722 /nfs/dbraw/zinc/72/47/22/1069724722.db2.gz HFXMLJGPKHQWRF-KNCCTNLNSA-N 1 3 451.572 -0.903 20 0 JBADHO C[C@H]1CC(n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)C[C@H](C)O1 ZINC001257086289 1069724662 /nfs/dbraw/zinc/72/46/62/1069724662.db2.gz HFXMLJGPKHQWRF-USJZOSNVSA-N 1 3 451.572 -0.903 20 0 JBADHO C[C@@H]1C[C@@H](n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)C[C@H](C)O1 ZINC001257086291 1069724806 /nfs/dbraw/zinc/72/48/06/1069724806.db2.gz HFXMLJGPKHQWRF-YFUQURRKSA-N 1 3 451.572 -0.903 20 0 JBADHO CCCCOC(=O)CC[C@@H](C)n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001257392429 1069726303 /nfs/dbraw/zinc/72/63/03/1069726303.db2.gz XVJQNCZXGZQTGL-NEWSRXKRSA-N 1 3 495.625 -0.347 20 0 JBADHO CCCCOC(=O)CC[C@H](C)n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001257392430 1069726255 /nfs/dbraw/zinc/72/62/55/1069726255.db2.gz XVJQNCZXGZQTGL-WDSOQIARSA-N 1 3 495.625 -0.347 20 0 JBADHO CC(C)OC1CCC(n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)CC1 ZINC001257877628 1069730007 /nfs/dbraw/zinc/73/00/07/1069730007.db2.gz RJQFQGWWJRJKQN-GUMHCPJTSA-N 1 3 479.626 -0.123 20 0 JBADHO NC(=O)CNC(=O)[C@H](Cc1cn(C2CCC3(COC3)CC2)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001257905102 1069729715 /nfs/dbraw/zinc/72/97/15/1069729715.db2.gz VVAOIWBHYUQTHA-ROUUACIJSA-N 1 3 463.583 -0.900 20 0 JBADHO CCOC(=O)CCC[C@@H](C)n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001258115561 1069732449 /nfs/dbraw/zinc/73/24/49/1069732449.db2.gz LHMALNWZOYVOFE-NJAFHUGGSA-N 1 3 481.598 -0.737 20 0 JBADHO CCOC(=O)CCC[C@H](C)n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001258115562 1069732231 /nfs/dbraw/zinc/73/22/31/1069732231.db2.gz LHMALNWZOYVOFE-SZMVWBNQSA-N 1 3 481.598 -0.737 20 0 JBADHO NC(=O)CNC(=O)[C@H](Cc1cn(C2CCN(c3ccccc3)CC2)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001258510097 1069733848 /nfs/dbraw/zinc/73/38/48/1069733848.db2.gz UZSAVDFQIJJGEQ-VXKWHMMOSA-N 1 3 498.632 -0.190 20 0 JBADHO C[C@H](Cc1cccnc1)n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001258620131 1069734788 /nfs/dbraw/zinc/73/47/88/1069734788.db2.gz DMNTVBMDJPNJPK-MNEFBYGVSA-N 1 3 458.567 -0.833 20 0 JBADHO C[C@@H](Cc1cccnc1)n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001258620132 1069734916 /nfs/dbraw/zinc/73/49/16/1069734916.db2.gz DMNTVBMDJPNJPK-SNRMKQJTSA-N 1 3 458.567 -0.833 20 0 JBADHO COc1ccccc1C[C@@H](C)n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001258886223 1069735731 /nfs/dbraw/zinc/73/57/31/1069735731.db2.gz GVCDCELNBFYUOC-UXPWSPDFSA-N 1 3 487.605 -0.220 20 0 JBADHO COc1ccccc1C[C@H](C)n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001258886224 1069735611 /nfs/dbraw/zinc/73/56/11/1069735611.db2.gz GVCDCELNBFYUOC-VDGAXYAQSA-N 1 3 487.605 -0.220 20 0 JBADHO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CC[NH+]1CCCC1 ZINC001288855982 1069890264 /nfs/dbraw/zinc/89/02/64/1069890264.db2.gz JYBGRFXCHGMMQQ-GOSISDBHSA-N 1 3 482.655 -0.272 20 0 JBADHO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CC[NH+]1CCCC1 ZINC001288855983 1069889955 /nfs/dbraw/zinc/88/99/55/1069889955.db2.gz JYBGRFXCHGMMQQ-SFHVURJKSA-N 1 3 482.655 -0.272 20 0 JBADHO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1CCC[NH+]1CCC(O)CC1 ZINC001288869673 1069902835 /nfs/dbraw/zinc/90/28/35/1069902835.db2.gz JKZRGGUYXAIIMX-MOPGFXCFSA-N 1 3 499.682 -0.106 20 0 JBADHO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1CCC[NH+]1CCC(O)CC1 ZINC001288869674 1069902807 /nfs/dbraw/zinc/90/28/07/1069902807.db2.gz JKZRGGUYXAIIMX-OALUTQOASA-N 1 3 499.682 -0.106 20 0 JBADHO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1CCC[NH+]1CCC(O)CC1 ZINC001288869675 1069902929 /nfs/dbraw/zinc/90/29/29/1069902929.db2.gz JKZRGGUYXAIIMX-RBUKOAKNSA-N 1 3 499.682 -0.106 20 0 JBADHO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1CCC[NH+]1CCC(O)CC1 ZINC001288869676 1069903007 /nfs/dbraw/zinc/90/30/07/1069903007.db2.gz JKZRGGUYXAIIMX-RTBURBONSA-N 1 3 499.682 -0.106 20 0 JBADHO CC[NH+]1CCN(CCCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN3CCOC[C@@H]3C2)CC1 ZINC001296192301 1070000099 /nfs/dbraw/zinc/00/00/99/1070000099.db2.gz CUVSAOOVRGWLOB-PMACEKPBSA-N 1 3 498.698 -0.173 20 0 JBADHO CC[NH+]1CCN(CCCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN3CCOC[C@@H]3C2)CC1 ZINC001296192304 1069999880 /nfs/dbraw/zinc/99/98/80/1069999880.db2.gz CUVSAOOVRGWLOB-UXHICEINSA-N 1 3 498.698 -0.173 20 0 JBADHO CC[NH+]1CCN(CCCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN3CCOC[C@H]3C2)CC1 ZINC001296192307 1069999756 /nfs/dbraw/zinc/99/97/56/1069999756.db2.gz CUVSAOOVRGWLOB-VQTJNVASSA-N 1 3 498.698 -0.173 20 0 JBADHO CC[NH+]1CCN(CCCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN3CCOC[C@H]3C2)CC1 ZINC001296192310 1069999958 /nfs/dbraw/zinc/99/99/58/1069999958.db2.gz CUVSAOOVRGWLOB-WOJBJXKFSA-N 1 3 498.698 -0.173 20 0 JBADHO CN1CCC[C@H]1C(=O)N1CCN(c2nnc(C(=O)N3CCCC3)n2CCOCC[NH+](C)C)CC1 ZINC001298088727 1070060537 /nfs/dbraw/zinc/06/05/37/1070060537.db2.gz KQWFVENJJGVXDE-IBGZPJMESA-N 1 3 476.626 -0.165 20 0 JBADHO CN1CCC[C@@H]1C(=O)N1CCN(c2nnc(C(=O)N3CCCC3)n2CCOCC[NH+](C)C)CC1 ZINC001298088741 1070060719 /nfs/dbraw/zinc/06/07/19/1070060719.db2.gz KQWFVENJJGVXDE-LJQANCHMSA-N 1 3 476.626 -0.165 20 0 JBADHO CC(C)NC(=O)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001303399882 1070246457 /nfs/dbraw/zinc/24/64/57/1070246457.db2.gz FKKVNCTUPFEOCP-HTAPYJJXSA-N 1 3 462.599 -0.774 20 0 JBADHO CC(C)NC(=O)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001303399882 1070246446 /nfs/dbraw/zinc/24/64/46/1070246446.db2.gz FKKVNCTUPFEOCP-HTAPYJJXSA-N 1 3 462.599 -0.774 20 0 JBADHO CC(C)NC(=O)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001303399883 1070246116 /nfs/dbraw/zinc/24/61/16/1070246116.db2.gz FKKVNCTUPFEOCP-JTSKRJEESA-N 1 3 462.599 -0.774 20 0 JBADHO CC(C)NC(=O)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001303399883 1070246107 /nfs/dbraw/zinc/24/61/07/1070246107.db2.gz FKKVNCTUPFEOCP-JTSKRJEESA-N 1 3 462.599 -0.774 20 0 JBADHO CC(C)NC(=O)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001303399884 1070246177 /nfs/dbraw/zinc/24/61/77/1070246177.db2.gz FKKVNCTUPFEOCP-VGOFRKELSA-N 1 3 462.599 -0.774 20 0 JBADHO CC(C)NC(=O)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001303399884 1070246167 /nfs/dbraw/zinc/24/61/67/1070246167.db2.gz FKKVNCTUPFEOCP-VGOFRKELSA-N 1 3 462.599 -0.774 20 0 JBADHO CC(C)NC(=O)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001303399885 1070246385 /nfs/dbraw/zinc/24/63/85/1070246385.db2.gz FKKVNCTUPFEOCP-VGSWGCGISA-N 1 3 462.599 -0.774 20 0 JBADHO CC(C)NC(=O)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001303399885 1070246372 /nfs/dbraw/zinc/24/63/72/1070246372.db2.gz FKKVNCTUPFEOCP-VGSWGCGISA-N 1 3 462.599 -0.774 20 0 JBADHO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1)[NH+](C)C ZINC001303858116 1070275483 /nfs/dbraw/zinc/27/54/83/1070275483.db2.gz PXJSQDRATFFBLX-IKGGRYGDSA-N 1 3 470.644 -0.419 20 0 JBADHO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1)[NH+](C)C ZINC001303858117 1070275833 /nfs/dbraw/zinc/27/58/33/1070275833.db2.gz PXJSQDRATFFBLX-IXDOHACOSA-N 1 3 470.644 -0.419 20 0 JBADHO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1)[NH+](C)C ZINC001303858118 1070275420 /nfs/dbraw/zinc/27/54/20/1070275420.db2.gz PXJSQDRATFFBLX-ULQDDVLXSA-N 1 3 470.644 -0.419 20 0 JBADHO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1)[NH+](C)C ZINC001303858119 1070275671 /nfs/dbraw/zinc/27/56/71/1070275671.db2.gz PXJSQDRATFFBLX-YESZJQIVSA-N 1 3 470.644 -0.419 20 0 JBADHO CC(C)[N@@H+](C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001303858390 1070276385 /nfs/dbraw/zinc/27/63/85/1070276385.db2.gz CHXHTOVHVDKFSG-MSOLQXFVSA-N 1 3 484.671 -0.029 20 0 JBADHO CC(C)[N@H+](C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001303858390 1070276377 /nfs/dbraw/zinc/27/63/77/1070276377.db2.gz CHXHTOVHVDKFSG-MSOLQXFVSA-N 1 3 484.671 -0.029 20 0 JBADHO CC(C)[N@@H+](C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001303858391 1070276628 /nfs/dbraw/zinc/27/66/28/1070276628.db2.gz CHXHTOVHVDKFSG-QZTJIDSGSA-N 1 3 484.671 -0.029 20 0 JBADHO CC(C)[N@H+](C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001303858391 1070276611 /nfs/dbraw/zinc/27/66/11/1070276611.db2.gz CHXHTOVHVDKFSG-QZTJIDSGSA-N 1 3 484.671 -0.029 20 0 JBADHO CC(C)[N@@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001303858392 1070276524 /nfs/dbraw/zinc/27/65/24/1070276524.db2.gz CHXHTOVHVDKFSG-ROUUACIJSA-N 1 3 484.671 -0.029 20 0 JBADHO CC(C)[N@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001303858392 1070276511 /nfs/dbraw/zinc/27/65/11/1070276511.db2.gz CHXHTOVHVDKFSG-ROUUACIJSA-N 1 3 484.671 -0.029 20 0 JBADHO CC(C)[N@@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001303858393 1070276277 /nfs/dbraw/zinc/27/62/77/1070276277.db2.gz CHXHTOVHVDKFSG-ZWKOTPCHSA-N 1 3 484.671 -0.029 20 0 JBADHO CC(C)[N@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001303858393 1070276266 /nfs/dbraw/zinc/27/62/66/1070276266.db2.gz CHXHTOVHVDKFSG-ZWKOTPCHSA-N 1 3 484.671 -0.029 20 0 JBADHO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@H](C)[NH+](C)C ZINC001303859644 1070279357 /nfs/dbraw/zinc/27/93/57/1070279357.db2.gz SEPHYMXTHDIWGJ-DLBZAZTESA-N 1 3 470.644 -0.417 20 0 JBADHO C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)CN2CCCC2)CC1)[NH+](C)C ZINC001303859645 1070279169 /nfs/dbraw/zinc/27/91/69/1070279169.db2.gz SEPHYMXTHDIWGJ-IAGOWNOFSA-N 1 3 470.644 -0.417 20 0 JBADHO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)CN2CCCC2)CC1)[NH+](C)C ZINC001303859646 1070279136 /nfs/dbraw/zinc/27/91/36/1070279136.db2.gz SEPHYMXTHDIWGJ-IRXDYDNUSA-N 1 3 470.644 -0.417 20 0 JBADHO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)CN2CCCC2)CC1)[NH+](C)C ZINC001303859647 1070279234 /nfs/dbraw/zinc/27/92/34/1070279234.db2.gz SEPHYMXTHDIWGJ-SJORKVTESA-N 1 3 470.644 -0.417 20 0 JBADHO CCN(CC)CC(=O)N1CCN(c2nnc(CN3CCCC3=O)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001313699401 1070379105 /nfs/dbraw/zinc/37/91/05/1070379105.db2.gz XPBPPJZZMHXJKQ-HSZRJFAPSA-N 1 3 476.626 -0.543 20 0 JBADHO CCN(CC)CC(=O)N1CCN(c2nnc(CN3CCCC3=O)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001313699401 1070379088 /nfs/dbraw/zinc/37/90/88/1070379088.db2.gz XPBPPJZZMHXJKQ-HSZRJFAPSA-N 1 3 476.626 -0.543 20 0 JBADHO CCN(CC)CC(=O)N1CCN(c2nnc(CN3CCCC3=O)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001313699402 1070378861 /nfs/dbraw/zinc/37/88/61/1070378861.db2.gz XPBPPJZZMHXJKQ-QHCPKHFHSA-N 1 3 476.626 -0.543 20 0 JBADHO CCN(CC)CC(=O)N1CCN(c2nnc(CN3CCCC3=O)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001313699402 1070378844 /nfs/dbraw/zinc/37/88/44/1070378844.db2.gz XPBPPJZZMHXJKQ-QHCPKHFHSA-N 1 3 476.626 -0.543 20 0 JBADHO CCN(CC)CC(=O)N1CCN(c2nnc(-c3cnccn3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001313704251 1070379591 /nfs/dbraw/zinc/37/95/91/1070379591.db2.gz LXRKWPAZDOWJJN-JOCHJYFZSA-N 1 3 457.583 -0.208 20 0 JBADHO CCN(CC)CC(=O)N1CCN(c2nnc(-c3cnccn3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001313704251 1070379572 /nfs/dbraw/zinc/37/95/72/1070379572.db2.gz LXRKWPAZDOWJJN-JOCHJYFZSA-N 1 3 457.583 -0.208 20 0 JBADHO CCN(CC)CC(=O)N1CCN(c2nnc(-c3cnccn3)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001313704256 1070379363 /nfs/dbraw/zinc/37/93/63/1070379363.db2.gz LXRKWPAZDOWJJN-QFIPXVFZSA-N 1 3 457.583 -0.208 20 0 JBADHO CCN(CC)CC(=O)N1CCN(c2nnc(-c3cnccn3)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001313704256 1070379345 /nfs/dbraw/zinc/37/93/45/1070379345.db2.gz LXRKWPAZDOWJJN-QFIPXVFZSA-N 1 3 457.583 -0.208 20 0 JBADHO CN1CCC[C@H]1C(=O)N1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOCC[NH+](C)C)CC1 ZINC001314673827 1070458459 /nfs/dbraw/zinc/45/84/59/1070458459.db2.gz YZKKWJVJJBJELB-MOPGFXCFSA-N 1 3 497.666 -0.499 20 0 JBADHO CN1CCC[C@H]1C(=O)N1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOCC[NH+](C)C)CC1 ZINC001314673828 1070458516 /nfs/dbraw/zinc/45/85/16/1070458516.db2.gz YZKKWJVJJBJELB-OALUTQOASA-N 1 3 497.666 -0.499 20 0 JBADHO CN1CCC[C@@H]1C(=O)N1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOCC[NH+](C)C)CC1 ZINC001314673829 1070458390 /nfs/dbraw/zinc/45/83/90/1070458390.db2.gz YZKKWJVJJBJELB-RBUKOAKNSA-N 1 3 497.666 -0.499 20 0 JBADHO CN1CCC[C@@H]1C(=O)N1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOCC[NH+](C)C)CC1 ZINC001314673830 1070458430 /nfs/dbraw/zinc/45/84/30/1070458430.db2.gz YZKKWJVJJBJELB-RTBURBONSA-N 1 3 497.666 -0.499 20 0 JBADHO COCC[N@@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001316074849 1070544768 /nfs/dbraw/zinc/54/47/68/1070544768.db2.gz PKMXFAIHLKXOFM-IBGZPJMESA-N 1 3 476.626 -0.279 20 0 JBADHO COCC[N@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001316074849 1070544758 /nfs/dbraw/zinc/54/47/58/1070544758.db2.gz PKMXFAIHLKXOFM-IBGZPJMESA-N 1 3 476.626 -0.279 20 0 JBADHO COCC[N@@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001316074850 1070544680 /nfs/dbraw/zinc/54/46/80/1070544680.db2.gz PKMXFAIHLKXOFM-LJQANCHMSA-N 1 3 476.626 -0.279 20 0 JBADHO COCC[N@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001316074850 1070544668 /nfs/dbraw/zinc/54/46/68/1070544668.db2.gz PKMXFAIHLKXOFM-LJQANCHMSA-N 1 3 476.626 -0.279 20 0 JBADHO C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C[C@@H]2CCOC2)CC1)[NH+](C)C ZINC001360570218 1070741831 /nfs/dbraw/zinc/74/18/31/1070741831.db2.gz LLAKCOAYTPPEIJ-CEXWTWQISA-N 1 3 485.655 -0.280 20 0 JBADHO C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C[C@H]2CCOC2)CC1)[NH+](C)C ZINC001360570219 1070742137 /nfs/dbraw/zinc/74/21/37/1070742137.db2.gz LLAKCOAYTPPEIJ-GUDVDZBRSA-N 1 3 485.655 -0.280 20 0 JBADHO C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C[C@H]2CCOC2)CC1)[NH+](C)C ZINC001360570220 1070741880 /nfs/dbraw/zinc/74/18/80/1070741880.db2.gz LLAKCOAYTPPEIJ-QRVBRYPASA-N 1 3 485.655 -0.280 20 0 JBADHO C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C[C@@H]2CCOC2)CC1)[NH+](C)C ZINC001360570221 1070742162 /nfs/dbraw/zinc/74/21/62/1070742162.db2.gz LLAKCOAYTPPEIJ-QYZOEREBSA-N 1 3 485.655 -0.280 20 0 JBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 ZINC001470774286 1068246053 /nfs/dbraw/zinc/24/60/53/1068246053.db2.gz ZFEFHPSBIOQZGG-HNNXBMFYSA-N 1 3 458.585 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VOTRGAZGGKDOBP-ZCNNSNEGSA-N 1 3 498.698 -0.223 20 0 JBADHO CC(C)CN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001509433348 1068573987 /nfs/dbraw/zinc/57/39/87/1068573987.db2.gz XBYLUKGPXNEMEP-GHTZIAJQSA-N 1 3 485.655 -0.544 20 0 JBADHO CC(C)CN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001509433348 1068573972 /nfs/dbraw/zinc/57/39/72/1068573972.db2.gz XBYLUKGPXNEMEP-GHTZIAJQSA-N 1 3 485.655 -0.544 20 0 JBADHO CC(C)CN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001509433357 1068574083 /nfs/dbraw/zinc/57/40/83/1068574083.db2.gz XBYLUKGPXNEMEP-NQIIRXRSSA-N 1 3 485.655 -0.544 20 0 JBADHO CC(C)CN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001509433357 1068574076 /nfs/dbraw/zinc/57/40/76/1068574076.db2.gz XBYLUKGPXNEMEP-NQIIRXRSSA-N 1 3 485.655 -0.544 20 0 JBADHO CC(C)CN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001509433358 1068573820 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ZINC001555526877 1069205923 /nfs/dbraw/zinc/20/59/23/1069205923.db2.gz IGZFHULIFARXMW-GOSISDBHSA-N 1 3 462.599 -0.448 20 0 JBADHO COCC[N@H+](C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001555526877 1069205914 /nfs/dbraw/zinc/20/59/14/1069205914.db2.gz IGZFHULIFARXMW-GOSISDBHSA-N 1 3 462.599 -0.448 20 0 JBADHO COCC[N@@H+](C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001555526878 1069206066 /nfs/dbraw/zinc/20/60/66/1069206066.db2.gz IGZFHULIFARXMW-SFHVURJKSA-N 1 3 462.599 -0.448 20 0 JBADHO COCC[N@H+](C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001555526878 1069206059 /nfs/dbraw/zinc/20/60/59/1069206059.db2.gz IGZFHULIFARXMW-SFHVURJKSA-N 1 3 462.599 -0.448 20 0 JBADHO CC(C)[N@@H+](C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001611704491 1069413831 /nfs/dbraw/zinc/41/38/31/1069413831.db2.gz CCXGKVQCQJXMKQ-GOSISDBHSA-N 1 3 484.671 -0.027 20 0 JBADHO CC(C)[N@H+](C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001611704491 1069413827 /nfs/dbraw/zinc/41/38/27/1069413827.db2.gz CCXGKVQCQJXMKQ-GOSISDBHSA-N 1 3 484.671 -0.027 20 0 JBADHO CC(C)[N@@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001611704492 1069413782 /nfs/dbraw/zinc/41/37/82/1069413782.db2.gz CCXGKVQCQJXMKQ-SFHVURJKSA-N 1 3 484.671 -0.027 20 0 JBADHO CC(C)[N@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001611704492 1069413778 /nfs/dbraw/zinc/41/37/78/1069413778.db2.gz CCXGKVQCQJXMKQ-SFHVURJKSA-N 1 3 484.671 -0.027 20 0 JBADHO CCO[C@]1(c2nnc(N3CCN(C(=O)CN(CC)CC)CC3)n2C[C@]2(O)CC[N@@H+](C)C2)CCOC1 ZINC001616249718 1069516025 /nfs/dbraw/zinc/51/60/25/1069516025.db2.gz KKBZCIPNHFHZFW-BJKOFHAPSA-N 1 3 493.653 -0.013 20 0 JBADHO CCO[C@]1(c2nnc(N3CCN(C(=O)CN(CC)CC)CC3)n2C[C@]2(O)CC[N@H+](C)C2)CCOC1 ZINC001616249718 1069516018 /nfs/dbraw/zinc/51/60/18/1069516018.db2.gz KKBZCIPNHFHZFW-BJKOFHAPSA-N 1 3 493.653 -0.013 20 0 JBADHO CCO[C@]1(c2nnc(N3CCN(C(=O)CN(CC)CC)CC3)n2C[C@@]2(O)CC[N@@H+](C)C2)CCOC1 ZINC001616249722 1069515901 /nfs/dbraw/zinc/51/59/01/1069515901.db2.gz KKBZCIPNHFHZFW-DNQXCXABSA-N 1 3 493.653 -0.013 20 0 JBADHO CCO[C@]1(c2nnc(N3CCN(C(=O)CN(CC)CC)CC3)n2C[C@@]2(O)CC[N@H+](C)C2)CCOC1 ZINC001616249722 1069515897 /nfs/dbraw/zinc/51/58/97/1069515897.db2.gz KKBZCIPNHFHZFW-DNQXCXABSA-N 1 3 493.653 -0.013 20 0 JBADHO CCO[C@@]1(c2nnc(N3CCN(C(=O)CN(CC)CC)CC3)n2C[C@@]2(O)CC[N@@H+](C)C2)CCOC1 ZINC001616249724 1069515969 /nfs/dbraw/zinc/51/59/69/1069515969.db2.gz KKBZCIPNHFHZFW-RPWUZVMVSA-N 1 3 493.653 -0.013 20 0 JBADHO CCO[C@@]1(c2nnc(N3CCN(C(=O)CN(CC)CC)CC3)n2C[C@@]2(O)CC[N@H+](C)C2)CCOC1 ZINC001616249724 1069515964 /nfs/dbraw/zinc/51/59/64/1069515964.db2.gz KKBZCIPNHFHZFW-RPWUZVMVSA-N 1 3 493.653 -0.013 20 0 JBADHO CCO[C@@]1(c2nnc(N3CCN(C(=O)CN(CC)CC)CC3)n2C[C@]2(O)CC[N@@H+](C)C2)CCOC1 ZINC001616249727 1069515993 /nfs/dbraw/zinc/51/59/93/1069515993.db2.gz KKBZCIPNHFHZFW-ZEQRLZLVSA-N 1 3 493.653 -0.013 20 0 JBADHO CCO[C@@]1(c2nnc(N3CCN(C(=O)CN(CC)CC)CC3)n2C[C@]2(O)CC[N@H+](C)C2)CCOC1 ZINC001616249727 1069515989 /nfs/dbraw/zinc/51/59/89/1069515989.db2.gz KKBZCIPNHFHZFW-ZEQRLZLVSA-N 1 3 493.653 -0.013 20 0 JBADHO COCC[N@@H+](C)CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001619874992 1069629402 /nfs/dbraw/zinc/62/94/02/1069629402.db2.gz KIPGEPVZFNCYRN-MOPGFXCFSA-N 1 3 476.626 -0.060 20 0 JBADHO COCC[N@H+](C)CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001619874992 1069629397 /nfs/dbraw/zinc/62/93/97/1069629397.db2.gz KIPGEPVZFNCYRN-MOPGFXCFSA-N 1 3 476.626 -0.060 20 0 JBADHO COCC[N@@H+](C)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001619874993 1069629230 /nfs/dbraw/zinc/62/92/30/1069629230.db2.gz KIPGEPVZFNCYRN-OALUTQOASA-N 1 3 476.626 -0.060 20 0 JBADHO COCC[N@H+](C)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001619874993 1069629224 /nfs/dbraw/zinc/62/92/24/1069629224.db2.gz KIPGEPVZFNCYRN-OALUTQOASA-N 1 3 476.626 -0.060 20 0 JBADHO COCC[N@@H+](C)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001619874994 1069629257 /nfs/dbraw/zinc/62/92/57/1069629257.db2.gz KIPGEPVZFNCYRN-RBUKOAKNSA-N 1 3 476.626 -0.060 20 0 JBADHO COCC[N@H+](C)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001619874994 1069629252 /nfs/dbraw/zinc/62/92/52/1069629252.db2.gz KIPGEPVZFNCYRN-RBUKOAKNSA-N 1 3 476.626 -0.060 20 0 JBADHO COCC[N@@H+](C)CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001619874995 1069629361 /nfs/dbraw/zinc/62/93/61/1069629361.db2.gz KIPGEPVZFNCYRN-RTBURBONSA-N 1 3 476.626 -0.060 20 0 JBADHO COCC[N@H+](C)CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001619874995 1069629355 /nfs/dbraw/zinc/62/93/55/1069629355.db2.gz KIPGEPVZFNCYRN-RTBURBONSA-N 1 3 476.626 -0.060 20 0 JBADHO COCCO[C@H](C)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001620014857 1069649713 /nfs/dbraw/zinc/64/97/13/1069649713.db2.gz QNEJGSWKAFKTCC-AUSIDOKSSA-N 1 3 479.626 -0.187 20 0 JBADHO COCCO[C@H](C)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001620014857 1069649708 /nfs/dbraw/zinc/64/97/08/1069649708.db2.gz QNEJGSWKAFKTCC-AUSIDOKSSA-N 1 3 479.626 -0.187 20 0 JBADHO COCCO[C@@H](C)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001620014858 1069649591 /nfs/dbraw/zinc/64/95/91/1069649591.db2.gz QNEJGSWKAFKTCC-CVDCTZTESA-N 1 3 479.626 -0.187 20 0 JBADHO COCCO[C@@H](C)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001620014858 1069649584 /nfs/dbraw/zinc/64/95/84/1069649584.db2.gz QNEJGSWKAFKTCC-CVDCTZTESA-N 1 3 479.626 -0.187 20 0 JBADHO COCCO[C@@H](C)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001620014859 1069649777 /nfs/dbraw/zinc/64/97/77/1069649777.db2.gz QNEJGSWKAFKTCC-WMZHIEFXSA-N 1 3 479.626 -0.187 20 0 JBADHO COCCO[C@@H](C)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001620014859 1069649772 /nfs/dbraw/zinc/64/97/72/1069649772.db2.gz QNEJGSWKAFKTCC-WMZHIEFXSA-N 1 3 479.626 -0.187 20 0 JBADHO COCCO[C@H](C)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001620014860 1069649614 /nfs/dbraw/zinc/64/96/14/1069649614.db2.gz QNEJGSWKAFKTCC-XXBNENTESA-N 1 3 479.626 -0.187 20 0 JBADHO COCCO[C@H](C)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001620014860 1069649608 /nfs/dbraw/zinc/64/96/08/1069649608.db2.gz QNEJGSWKAFKTCC-XXBNENTESA-N 1 3 479.626 -0.187 20 0 JBADHO O=C(N[C@@H]1CCCN(CCN2CCOCC2)C1)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001684943562 1069989566 /nfs/dbraw/zinc/98/95/66/1069989566.db2.gz GKGZZHPASWRIPC-FGZHOGPDSA-N 1 3 452.644 -0.121 20 0 JBADHO O=C(N[C@@H]1CCCN(CCN2CCOCC2)C1)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001684943562 1069989562 /nfs/dbraw/zinc/98/95/62/1069989562.db2.gz GKGZZHPASWRIPC-FGZHOGPDSA-N 1 3 452.644 -0.121 20 0 JBADHO O=C(N[C@H]1CCCN(CCN2CCOCC2)C1)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001684943564 1069989464 /nfs/dbraw/zinc/98/94/64/1069989464.db2.gz GKGZZHPASWRIPC-VXKWHMMOSA-N 1 3 452.644 -0.121 20 0 JBADHO O=C(N[C@H]1CCCN(CCN2CCOCC2)C1)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001684943564 1069989461 /nfs/dbraw/zinc/98/94/61/1069989461.db2.gz GKGZZHPASWRIPC-VXKWHMMOSA-N 1 3 452.644 -0.121 20 0 JBADHO