smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c(C[NH2+]C[C@H](C)C[NH+](C)C)c(=O)n(-c2ccccc2)n1C ZINC000585085586 771934540 /nfs/dbraw/zinc/93/45/40/771934540.db2.gz PPTZOKCPRLUVND-AWEZNQCLSA-N 2 2 316.449 1.772 50 0 DDAALP O=C(NCCc1c[nH+]c[nH]1)c1ccc(C[C@H]2CCC[NH2+]C2)cc1 ZINC000072155894 191059706 /nfs/dbraw/zinc/05/97/06/191059706.db2.gz VYFVMJLBVRNROK-OAHLLOKOSA-N 2 2 312.417 1.924 50 0 DDAALP O=C(NCCc1c[nH]c[nH+]1)c1ccc(C[C@H]2CCC[NH2+]C2)cc1 ZINC000072155894 191059709 /nfs/dbraw/zinc/05/97/09/191059709.db2.gz VYFVMJLBVRNROK-OAHLLOKOSA-N 2 2 312.417 1.924 50 0 DDAALP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H](O)c1ccccc1 ZINC000164073648 186147684 /nfs/dbraw/zinc/14/76/84/186147684.db2.gz XRBCYQVTKOISDK-KRWDZBQOSA-N 2 2 319.449 1.204 50 0 DDAALP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H](O)c1ccccc1 ZINC000164073648 186147685 /nfs/dbraw/zinc/14/76/85/186147685.db2.gz XRBCYQVTKOISDK-KRWDZBQOSA-N 2 2 319.449 1.204 50 0 DDAALP NC(=O)C1([NH+]2CCCCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000004278238 181091462 /nfs/dbraw/zinc/09/14/62/181091462.db2.gz YKESGDAJVLVZAA-UHFFFAOYSA-N 2 2 301.434 1.992 50 0 DDAALP c1cc2n(n1)C[C@@H](C[NH2+]Cc1ccccc1-n1cc[nH+]c1)CN2 ZINC000058299832 184102806 /nfs/dbraw/zinc/10/28/06/184102806.db2.gz JPAFBRLVKHCTIZ-AWEZNQCLSA-N 2 2 308.389 1.900 50 0 DDAALP CCN(CC)c1cc(N2CC([N@@H+]3CCCC[C@H]3C)C2)nc(N)[nH+]1 ZINC000065504439 184356096 /nfs/dbraw/zinc/35/60/96/184356096.db2.gz NXVGYWMIJAJOFC-CYBMUJFWSA-N 2 2 318.469 1.968 50 0 DDAALP CCN(CC)c1cc(N2CC([N@H+]3CCCC[C@H]3C)C2)nc(N)[nH+]1 ZINC000065504439 184356098 /nfs/dbraw/zinc/35/60/98/184356098.db2.gz NXVGYWMIJAJOFC-CYBMUJFWSA-N 2 2 318.469 1.968 50 0 DDAALP CO[C@H]1COC[C@@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000289584930 221085135 /nfs/dbraw/zinc/08/51/35/221085135.db2.gz APXXENKDWGUDTB-ROUUACIJSA-N 2 2 304.434 1.697 50 0 DDAALP Cc1cc(C(=O)C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c(C)[nH]1 ZINC000069560516 406734561 /nfs/dbraw/zinc/73/45/61/406734561.db2.gz KEYUOEGHGUUZDX-UHFFFAOYSA-N 2 2 319.449 1.858 50 0 DDAALP C[C@@H](C(=O)Nc1ncccn1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000071897225 406864513 /nfs/dbraw/zinc/86/45/13/406864513.db2.gz IWFVMUAYARJPDF-LBPRGKRZSA-N 2 2 300.366 1.337 50 0 DDAALP CC(C)C[C@H](CNC(=O)C[N@@H+]1CCC[C@H]1C)[NH+]1CCOCC1 ZINC000071916676 406868208 /nfs/dbraw/zinc/86/82/08/406868208.db2.gz QWZONTGHZDPMMN-HZPDHXFCSA-N 2 2 311.470 1.334 50 0 DDAALP CC(C)C[C@H](CNC(=O)C[N@H+]1CCC[C@H]1C)[NH+]1CCOCC1 ZINC000071916676 406868209 /nfs/dbraw/zinc/86/82/09/406868209.db2.gz QWZONTGHZDPMMN-HZPDHXFCSA-N 2 2 311.470 1.334 50 0 DDAALP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000078875754 407047198 /nfs/dbraw/zinc/04/71/98/407047198.db2.gz MYJVNAMMRLHPNZ-RDJZCZTQSA-N 2 2 317.433 1.098 50 0 DDAALP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000078875754 407047199 /nfs/dbraw/zinc/04/71/99/407047199.db2.gz MYJVNAMMRLHPNZ-RDJZCZTQSA-N 2 2 317.433 1.098 50 0 DDAALP C[C@@H](Cn1cc[nH+]c1)NC(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000048313772 407095084 /nfs/dbraw/zinc/09/50/84/407095084.db2.gz LXMRKXXXZJFOCU-JSGCOSHPSA-N 2 2 321.450 1.935 50 0 DDAALP C[C@@H]1[C@H](C)OCC[N@@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000230308238 407685152 /nfs/dbraw/zinc/68/51/52/407685152.db2.gz KIKZHRACJSFHQR-HLLBOEOZSA-N 2 2 319.449 1.515 50 0 DDAALP C[C@@H]1[C@H](C)OCC[N@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000230308238 407685157 /nfs/dbraw/zinc/68/51/57/407685157.db2.gz KIKZHRACJSFHQR-HLLBOEOZSA-N 2 2 319.449 1.515 50 0 DDAALP C[NH+](C)Cc1cc(C[N@@H+]2CCC[C@@H](C3(C)OCCO3)C2)no1 ZINC000241515748 407909817 /nfs/dbraw/zinc/90/98/17/407909817.db2.gz OHRIWKOIUYJMIG-CYBMUJFWSA-N 2 2 309.410 1.711 50 0 DDAALP C[NH+](C)Cc1cc(C[N@H+]2CCC[C@@H](C3(C)OCCO3)C2)no1 ZINC000241515748 407909821 /nfs/dbraw/zinc/90/98/21/407909821.db2.gz OHRIWKOIUYJMIG-CYBMUJFWSA-N 2 2 309.410 1.711 50 0 DDAALP CO[C@@H]1C[NH2+][C@@H](C(=O)Nc2ccc(N3CCCC3)[nH+]c2C)C1 ZINC000189298650 408005978 /nfs/dbraw/zinc/00/59/78/408005978.db2.gz CFIWCWPQUYERHJ-GXTWGEPZSA-N 2 2 304.394 1.306 50 0 DDAALP NC(=O)[C@@H]1C[N@@H+](C2CCSCC2)C[C@H]1COc1cc[nH+]cc1 ZINC000253412263 408814739 /nfs/dbraw/zinc/81/47/39/408814739.db2.gz QKIDQFBLMCNOJI-SWLSCSKDSA-N 2 2 321.446 1.389 50 0 DDAALP NC(=O)[C@@H]1C[N@H+](C2CCSCC2)C[C@H]1COc1cc[nH+]cc1 ZINC000253412263 408814741 /nfs/dbraw/zinc/81/47/41/408814741.db2.gz QKIDQFBLMCNOJI-SWLSCSKDSA-N 2 2 321.446 1.389 50 0 DDAALP Cc1ccc(C[N@H+]2C[C@@H](COc3cc[nH+]cc3)[C@H](C(N)=O)C2)o1 ZINC000253403296 408814948 /nfs/dbraw/zinc/81/49/48/408814948.db2.gz HBHODGZLZCHVGW-XJKSGUPXSA-N 2 2 315.373 1.595 50 0 DDAALP O=C(C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)NC1CC1 ZINC000291033627 222087443 /nfs/dbraw/zinc/08/74/43/222087443.db2.gz FLKYFTXBEGSLJN-UHFFFAOYSA-N 2 2 319.424 1.701 50 0 DDAALP Cc1nc(C(F)(F)F)ncc1C[N@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC000426380428 419454665 /nfs/dbraw/zinc/45/46/65/419454665.db2.gz MXBSKAMGJKJVKP-PEGIJTEDSA-N 2 2 300.328 1.973 50 0 DDAALP Cc1nc(C(F)(F)F)ncc1C[N@@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC000426380428 419454670 /nfs/dbraw/zinc/45/46/70/419454670.db2.gz MXBSKAMGJKJVKP-PEGIJTEDSA-N 2 2 300.328 1.973 50 0 DDAALP C[C@@H](CC(=O)NCCCOC1CC[NH+](C)CC1)n1cc[nH+]c1 ZINC000299760395 698599529 /nfs/dbraw/zinc/59/95/29/698599529.db2.gz QXOIGEUOUTTYBG-AWEZNQCLSA-N 2 2 308.426 1.451 50 0 DDAALP Cc1[nH+]c[nH]c1CSCCNC(=O)[C@H]1CCCCC[N@H+]1C ZINC000952862136 775591227 /nfs/dbraw/zinc/59/12/27/775591227.db2.gz LWLPERNZLBVAGA-CQSZACIVSA-N 2 2 310.467 1.942 50 0 DDAALP Cc1[nH+]c[nH]c1CSCCNC(=O)[C@H]1CCCCC[N@@H+]1C ZINC000952862136 775591234 /nfs/dbraw/zinc/59/12/34/775591234.db2.gz LWLPERNZLBVAGA-CQSZACIVSA-N 2 2 310.467 1.942 50 0 DDAALP CCO[C@H]1C[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1O ZINC000222719542 539265610 /nfs/dbraw/zinc/26/56/10/539265610.db2.gz KBTMLRVVHBKIBS-ROUUACIJSA-N 2 2 304.434 1.733 50 0 DDAALP CCO[C@H]1C[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1O ZINC000222719542 539265612 /nfs/dbraw/zinc/26/56/12/539265612.db2.gz KBTMLRVVHBKIBS-ROUUACIJSA-N 2 2 304.434 1.733 50 0 DDAALP Cc1ccc(CCC[NH2+][C@H]2COC[C@H]2Oc2cn[nH]c2)c[nH+]1 ZINC000685940800 539564700 /nfs/dbraw/zinc/56/47/00/539564700.db2.gz IPGMNRJBZXHERE-JKSUJKDBSA-N 2 2 302.378 1.482 50 0 DDAALP Cc1nn(C)c(C)c1C[N@H+](C)Cc1cc2n(n1)CCC[NH2+]C2 ZINC000072150519 191056431 /nfs/dbraw/zinc/05/64/31/191056431.db2.gz VNWYSNZUAOBPDW-UHFFFAOYSA-N 2 2 302.426 1.359 50 0 DDAALP Cc1nn(C)c(C)c1C[N@@H+](C)Cc1cc2n(n1)CCC[NH2+]C2 ZINC000072150519 191056434 /nfs/dbraw/zinc/05/64/34/191056434.db2.gz VNWYSNZUAOBPDW-UHFFFAOYSA-N 2 2 302.426 1.359 50 0 DDAALP CC(C)c1[nH+]ccn1CCCNC(=O)c1cn2c(n1)C[NH2+]CC2 ZINC000072154326 191059628 /nfs/dbraw/zinc/05/96/28/191059628.db2.gz PHEXWGYUBNEWDN-UHFFFAOYSA-N 2 2 316.409 1.126 50 0 DDAALP O=C(C[N@@H+]1CC[C@H](c2ccccc2)C1)N1CCn2c[nH+]cc2C1 ZINC000072164633 191065132 /nfs/dbraw/zinc/06/51/32/191065132.db2.gz GLTJTNYYYHXWMI-INIZCTEOSA-N 2 2 310.401 1.715 50 0 DDAALP O=C(C[N@H+]1CC[C@H](c2ccccc2)C1)N1CCn2c[nH+]cc2C1 ZINC000072164633 191065134 /nfs/dbraw/zinc/06/51/34/191065134.db2.gz GLTJTNYYYHXWMI-INIZCTEOSA-N 2 2 310.401 1.715 50 0 DDAALP Nc1nc(N[C@H]2COC3(C2)CCCCC3)c2c([nH+]1)CC[NH2+]CC2 ZINC000072478472 191179590 /nfs/dbraw/zinc/17/95/90/191179590.db2.gz QZGTWOQHNZCJMW-GFCCVEGCSA-N 2 2 317.437 1.651 50 0 DDAALP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H](C)C[C@@H]1CCC(=O)N1 ZINC000319571176 354522327 /nfs/dbraw/zinc/52/23/27/354522327.db2.gz SYUUQNBAMYIJNB-JSGCOSHPSA-N 2 2 300.406 1.992 50 0 DDAALP Cc1cc(N2CCC[N@@H+](CC(=O)NC(C)C)CC2)nc(C)[nH+]1 ZINC000040501225 183083321 /nfs/dbraw/zinc/08/33/21/183083321.db2.gz QNNLWCYBTZKOMM-UHFFFAOYSA-N 2 2 305.426 1.130 50 0 DDAALP Cc1cc(N2CCC[N@H+](CC(=O)NC(C)C)CC2)nc(C)[nH+]1 ZINC000040501225 183083324 /nfs/dbraw/zinc/08/33/24/183083324.db2.gz QNNLWCYBTZKOMM-UHFFFAOYSA-N 2 2 305.426 1.130 50 0 DDAALP c1cc2n(n1)C[C@H](C[NH2+]Cc1ccc(-n3cc[nH+]c3)cc1)CN2 ZINC000058309712 184103526 /nfs/dbraw/zinc/10/35/26/184103526.db2.gz FDMNUBYAWRTPKK-OAHLLOKOSA-N 2 2 308.389 1.900 50 0 DDAALP CC(C)[NH+]1CCC(c2nnc(C[NH+]3CCC(O)CC3)n2C)CC1 ZINC000077505491 406993387 /nfs/dbraw/zinc/99/33/87/406993387.db2.gz XZWFCMLECAXVPJ-UHFFFAOYSA-N 2 2 321.469 1.360 50 0 DDAALP CC[NH+](CC)CCNC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000047578196 407076434 /nfs/dbraw/zinc/07/64/34/407076434.db2.gz RLGZCLAVHVYWQD-UHFFFAOYSA-N 2 2 319.453 1.691 50 0 DDAALP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cnc3cnccn23)C1 ZINC000097139244 407282502 /nfs/dbraw/zinc/28/25/02/407282502.db2.gz WNSWVOZXKDOIPD-CQSZACIVSA-N 2 2 310.405 1.918 50 0 DDAALP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cnc3cnccn23)C1 ZINC000097139244 407282503 /nfs/dbraw/zinc/28/25/03/407282503.db2.gz WNSWVOZXKDOIPD-CQSZACIVSA-N 2 2 310.405 1.918 50 0 DDAALP c1ccc(OCC[NH+]2CCOCC2)c(CN2CCC[NH2+]CC2)c1 ZINC000097334213 407291544 /nfs/dbraw/zinc/29/15/44/407291544.db2.gz IEZOBTNUPOCOEH-UHFFFAOYSA-N 2 2 319.449 1.193 50 0 DDAALP CCc1[nH+]ccn1CC(=O)N1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000219747543 407531310 /nfs/dbraw/zinc/53/13/10/407531310.db2.gz QFPBSYYDBXCMAL-MRXNPFEDSA-N 2 2 312.417 1.961 50 0 DDAALP CCc1[nH+]ccn1CC(=O)N1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000219747543 407531320 /nfs/dbraw/zinc/53/13/20/407531320.db2.gz QFPBSYYDBXCMAL-MRXNPFEDSA-N 2 2 312.417 1.961 50 0 DDAALP COCCn1c[nH+]cc1CNc1cc([C@@H]2CCOC2)[nH+]c(N)n1 ZINC000299757604 410607278 /nfs/dbraw/zinc/60/72/78/410607278.db2.gz HMNJHJAPCZKQBL-LLVKDONJSA-N 2 2 318.381 1.018 50 0 DDAALP COc1cccc(C(=O)NCc2[nH]cc(C)[nH+]2)c1OCCC[NH3+] ZINC000299789645 410630955 /nfs/dbraw/zinc/63/09/55/410630955.db2.gz ZBVJKVDVWWQSQJ-UHFFFAOYSA-N 2 2 318.377 1.384 50 0 DDAALP CC[N@@H+]1CCC[C@@](O)(C[NH+]2CCN(c3ccccc3F)CC2)C1 ZINC000046087455 418445271 /nfs/dbraw/zinc/44/52/71/418445271.db2.gz BIPNZRNQBHJVQK-SFHVURJKSA-N 2 2 321.440 1.795 50 0 DDAALP CC[N@H+]1CCC[C@@](O)(C[NH+]2CCN(c3ccccc3F)CC2)C1 ZINC000046087455 418445273 /nfs/dbraw/zinc/44/52/73/418445273.db2.gz BIPNZRNQBHJVQK-SFHVURJKSA-N 2 2 321.440 1.795 50 0 DDAALP Cc1ccc2[nH+]cc(C[NH2+]C[C@H]3COC4(CCOCC4)O3)n2c1 ZINC000095991132 274786658 /nfs/dbraw/zinc/78/66/58/274786658.db2.gz LQPQVCWDVMIKRQ-HNNXBMFYSA-N 2 2 317.389 1.654 50 0 DDAALP Cc1cc(C(=O)N[C@@H]2CCC[N@@H+](C3CC[NH+](C)CC3)C2)nn1C ZINC000011706143 696047385 /nfs/dbraw/zinc/04/73/85/696047385.db2.gz CQMPWFAYCLNMTG-CQSZACIVSA-N 2 2 319.453 1.017 50 0 DDAALP Cc1cc(C(=O)N[C@@H]2CCC[N@H+](C3CC[NH+](C)CC3)C2)nn1C ZINC000011706143 696047388 /nfs/dbraw/zinc/04/73/88/696047388.db2.gz CQMPWFAYCLNMTG-CQSZACIVSA-N 2 2 319.453 1.017 50 0 DDAALP C[C@@H]1C[NH+](CC2CC[NH+](Cc3cn(C)nn3)CC2)C[C@@H](C)O1 ZINC000095445418 185367244 /nfs/dbraw/zinc/36/72/44/185367244.db2.gz RNHWHVJEMWHHKJ-ZIAGYGMSSA-N 2 2 307.442 1.136 50 0 DDAALP CCn1ncc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)n1 ZINC000585087125 539556212 /nfs/dbraw/zinc/55/62/12/539556212.db2.gz POSCPHVBCZLHGK-PBHICJAKSA-N 2 2 314.437 1.693 50 0 DDAALP CCn1ncc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)n1 ZINC000585087125 539556215 /nfs/dbraw/zinc/55/62/15/539556215.db2.gz POSCPHVBCZLHGK-PBHICJAKSA-N 2 2 314.437 1.693 50 0 DDAALP Cn1cc[nH+]c1CC[C@@H]1CCCCN1C(=O)N1CC[NH+](C)CC1 ZINC000072166675 191066988 /nfs/dbraw/zinc/06/69/88/191066988.db2.gz PKEAUAGZCJGZFE-HNNXBMFYSA-N 2 2 319.453 1.575 50 0 DDAALP Cc1noc(C[N@@H+](C)C2CCN(c3cc(C)[nH+]c(C)n3)CC2)n1 ZINC000078969122 353543819 /nfs/dbraw/zinc/54/38/19/353543819.db2.gz OCCDPWNTHISZHN-UHFFFAOYSA-N 2 2 316.409 1.886 50 0 DDAALP Cc1noc(C[N@H+](C)C2CCN(c3cc(C)[nH+]c(C)n3)CC2)n1 ZINC000078969122 353543822 /nfs/dbraw/zinc/54/38/22/353543822.db2.gz OCCDPWNTHISZHN-UHFFFAOYSA-N 2 2 316.409 1.886 50 0 DDAALP Cc1cccc(N2CCC[C@@H](C(=O)N3CC[NH+](C)CC3)C2)[nH+]1 ZINC000195566816 354298029 /nfs/dbraw/zinc/29/80/29/354298029.db2.gz UYMPETARBTZTOQ-OAHLLOKOSA-N 2 2 302.422 1.380 50 0 DDAALP CCN(CC)C(=O)[C@@H]1C[C@@H]([NH3+])C[N@@H+]1C1Cc2ccccc2C1 ZINC000212517023 354310570 /nfs/dbraw/zinc/31/05/70/354310570.db2.gz OVLVOFDPSSNZKO-WBVHZDCISA-N 2 2 301.434 1.424 50 0 DDAALP CCN(CC)C(=O)[C@@H]1C[C@@H]([NH3+])C[N@H+]1C1Cc2ccccc2C1 ZINC000212517023 354310574 /nfs/dbraw/zinc/31/05/74/354310574.db2.gz OVLVOFDPSSNZKO-WBVHZDCISA-N 2 2 301.434 1.424 50 0 DDAALP C[C@@H]1C[C@H]([NH2+]Cc2cn(C)nc2C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000585140911 354814669 /nfs/dbraw/zinc/81/46/69/354814669.db2.gz LEKZJCFTINEGJU-TZMCWYRMSA-N 2 2 322.453 1.948 50 0 DDAALP C[C@@H]1C[C@H]([NH2+]Cc2cn(C)nc2C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000585140911 354814672 /nfs/dbraw/zinc/81/46/72/354814672.db2.gz LEKZJCFTINEGJU-TZMCWYRMSA-N 2 2 322.453 1.948 50 0 DDAALP Cn1cc[nH+]c1CN1C[C@H](CO)[C@H](C[NH+]2CCCCCC2)C1 ZINC000091616725 193079482 /nfs/dbraw/zinc/07/94/82/193079482.db2.gz KXKTVMZGPHACCX-HZPDHXFCSA-N 2 2 306.454 1.336 50 0 DDAALP O=C([C@@H]1CCC[NH2+]C1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000020269785 182201977 /nfs/dbraw/zinc/20/19/77/182201977.db2.gz ANDUKEHEVFLGCI-KRZKXXONSA-N 2 2 313.445 1.844 50 0 DDAALP CCn1cc[nH+]c1CN1CC[N@H+](CCC(C)C)[C@@H](CCO)C1 ZINC000020450799 182218740 /nfs/dbraw/zinc/21/87/40/182218740.db2.gz LATNIGNSCQDDOK-INIZCTEOSA-N 2 2 308.470 1.818 50 0 DDAALP CCn1cc[nH+]c1CN1CC[N@@H+](CCC(C)C)[C@@H](CCO)C1 ZINC000020450799 182218742 /nfs/dbraw/zinc/21/87/42/182218742.db2.gz LATNIGNSCQDDOK-INIZCTEOSA-N 2 2 308.470 1.818 50 0 DDAALP C[C@H]1C[NH+](CCCNc2[nH+]cnc3c2cnn3C)C[C@H](C)O1 ZINC000023619452 182364527 /nfs/dbraw/zinc/36/45/27/182364527.db2.gz XEKRMVCLWBRCAZ-RYUDHWBXSA-N 2 2 304.398 1.275 50 0 DDAALP O=C(NCCn1cc[nH+]c1)N1CC[NH+](Cc2cccs2)CC1 ZINC000043312033 183354235 /nfs/dbraw/zinc/35/42/35/183354235.db2.gz AAFDRSAKIWYYDB-UHFFFAOYSA-N 2 2 319.434 1.472 50 0 DDAALP NC(=O)C1CC[NH+](CCC[NH2+]Cc2ccc(F)cc2F)CC1 ZINC000065516977 184358359 /nfs/dbraw/zinc/35/83/59/184358359.db2.gz ARJAMQKLTKUTOI-UHFFFAOYSA-N 2 2 311.376 1.642 50 0 DDAALP Cc1cc(=O)oc2cc(NC(=O)[C@@H]([NH3+])Cc3c[nH+]c[nH]3)ccc12 ZINC000002517181 406690754 /nfs/dbraw/zinc/69/07/54/406690754.db2.gz YSUYDFDITKBMJW-ZDUSSCGKSA-N 2 2 312.329 1.333 50 0 DDAALP CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000069592571 406739271 /nfs/dbraw/zinc/73/92/71/406739271.db2.gz FRCTYPWGQGNHHJ-HNNXBMFYSA-N 2 2 324.469 1.420 50 0 DDAALP CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000069592571 406739274 /nfs/dbraw/zinc/73/92/74/406739274.db2.gz FRCTYPWGQGNHHJ-HNNXBMFYSA-N 2 2 324.469 1.420 50 0 DDAALP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1c[nH]nc1-c1ccc2c(c1)OCO2 ZINC000071828223 406849072 /nfs/dbraw/zinc/84/90/72/406849072.db2.gz MTIWUJIHOHUTSK-AWEZNQCLSA-N 2 2 314.389 1.989 50 0 DDAALP C[N@H+]1CCC[C@H]1C[NH2+]Cc1c[nH]nc1-c1ccc2c(c1)OCO2 ZINC000071828223 406849073 /nfs/dbraw/zinc/84/90/73/406849073.db2.gz MTIWUJIHOHUTSK-AWEZNQCLSA-N 2 2 314.389 1.989 50 0 DDAALP COCC[NH+]1CCN(C(=O)[C@@H](c2cccc(F)c2)[NH+](C)C)CC1 ZINC000095355870 407208399 /nfs/dbraw/zinc/20/83/99/407208399.db2.gz AFXSUFMNXURTHJ-MRXNPFEDSA-N 2 2 323.412 1.219 50 0 DDAALP CC[NH+]1CCN(c2cc(-n3cc[nH+]c3C)n3nccc3n2)CC1 ZINC000065259429 407241488 /nfs/dbraw/zinc/24/14/88/407241488.db2.gz BWZGRYFKQWIMDK-UHFFFAOYSA-N 2 2 311.393 1.365 50 0 DDAALP O=C(C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)NCc1cccnc1 ZINC000096441482 407266500 /nfs/dbraw/zinc/26/65/00/407266500.db2.gz UKFQKGHBQUIPJS-QGZVFWFLSA-N 2 2 316.449 1.506 50 0 DDAALP O=C(C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)NCc1cccnc1 ZINC000096441482 407266502 /nfs/dbraw/zinc/26/65/02/407266502.db2.gz UKFQKGHBQUIPJS-QGZVFWFLSA-N 2 2 316.449 1.506 50 0 DDAALP Cc1cc(C)c(C[N@@H+]2CCO[C@H](C[NH3+])C2)c(-n2cccn2)c1 ZINC000067694491 407280814 /nfs/dbraw/zinc/28/08/14/407280814.db2.gz RENGMJRAHOQJQS-OAHLLOKOSA-N 2 2 300.406 1.649 50 0 DDAALP Cc1cc(C)c(C[N@H+]2CCO[C@H](C[NH3+])C2)c(-n2cccn2)c1 ZINC000067694491 407280815 /nfs/dbraw/zinc/28/08/15/407280815.db2.gz RENGMJRAHOQJQS-OAHLLOKOSA-N 2 2 300.406 1.649 50 0 DDAALP CN(C)c1ccc(CCNC(=O)C[N@H+](C)C2CC[NH2+]CC2)cc1 ZINC000097447086 407294158 /nfs/dbraw/zinc/29/41/58/407294158.db2.gz VBDWRTOYZUPCQE-UHFFFAOYSA-N 2 2 318.465 1.095 50 0 DDAALP CN(C)c1ccc(CCNC(=O)C[N@@H+](C)C2CC[NH2+]CC2)cc1 ZINC000097447086 407294161 /nfs/dbraw/zinc/29/41/61/407294161.db2.gz VBDWRTOYZUPCQE-UHFFFAOYSA-N 2 2 318.465 1.095 50 0 DDAALP COc1cc[nH+]c(CN2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)c1 ZINC000106933687 407368200 /nfs/dbraw/zinc/36/82/00/407368200.db2.gz ULQXBYWOWFFRFE-AWEZNQCLSA-N 2 2 305.422 1.775 50 0 DDAALP COc1cc[nH+]c(CN2CCC([N@H+]3CCO[C@@H](C)C3)CC2)c1 ZINC000106933687 407368202 /nfs/dbraw/zinc/36/82/02/407368202.db2.gz ULQXBYWOWFFRFE-AWEZNQCLSA-N 2 2 305.422 1.775 50 0 DDAALP COc1ccc(CCNc2cc([C@H]3C[C@@H]([NH3+])C3)[nH+]c(N)n2)cc1 ZINC000244724131 407934950 /nfs/dbraw/zinc/93/49/50/407934950.db2.gz MODGHKSNGAJNJY-BETUJISGSA-N 2 2 313.405 1.927 50 0 DDAALP C[N@@H+](CC(=O)NCc1ccccc1)C[C@@H]1CC[NH+](C)C1(C)C ZINC000252507827 408802385 /nfs/dbraw/zinc/80/23/85/408802385.db2.gz WUMTYNWDWSWUBE-INIZCTEOSA-N 2 2 303.450 1.965 50 0 DDAALP C[N@H+](CC(=O)NCc1ccccc1)C[C@@H]1CC[NH+](C)C1(C)C ZINC000252507827 408802388 /nfs/dbraw/zinc/80/23/88/408802388.db2.gz WUMTYNWDWSWUBE-INIZCTEOSA-N 2 2 303.450 1.965 50 0 DDAALP C[NH+](CC(=O)NCc1ccccc1)C[C@@H]1CC[N@H+](C)C1(C)C ZINC000252507827 408802392 /nfs/dbraw/zinc/80/23/92/408802392.db2.gz WUMTYNWDWSWUBE-INIZCTEOSA-N 2 2 303.450 1.965 50 0 DDAALP C[NH+](CC(=O)NCc1ccccc1)C[C@@H]1CC[N@@H+](C)C1(C)C ZINC000252507827 408802394 /nfs/dbraw/zinc/80/23/94/408802394.db2.gz WUMTYNWDWSWUBE-INIZCTEOSA-N 2 2 303.450 1.965 50 0 DDAALP CN(CCCc1[nH+]ccn1C)c1cc([C@H]2CCOC2)[nH+]c(N)n1 ZINC000299759801 410608767 /nfs/dbraw/zinc/60/87/67/410608767.db2.gz NMMWMKDVHDLBBS-LBPRGKRZSA-N 2 2 316.409 1.365 50 0 DDAALP CC[N@H+](C[C@H]1COc2ccccc2O1)C[C@]1(O)CCC[NH+](C)C1 ZINC000046087371 418445118 /nfs/dbraw/zinc/44/51/18/418445118.db2.gz WEYGMJAATYFTLO-YJBOKZPZSA-N 2 2 320.433 1.605 50 0 DDAALP CC[N@@H+](C[C@H]1COc2ccccc2O1)C[C@]1(O)CCC[NH+](C)C1 ZINC000046087371 418445119 /nfs/dbraw/zinc/44/51/19/418445119.db2.gz WEYGMJAATYFTLO-YJBOKZPZSA-N 2 2 320.433 1.605 50 0 DDAALP CC[NH+](C[C@H]1COc2ccccc2O1)C[C@]1(O)CCC[N@H+](C)C1 ZINC000046087371 418445122 /nfs/dbraw/zinc/44/51/22/418445122.db2.gz WEYGMJAATYFTLO-YJBOKZPZSA-N 2 2 320.433 1.605 50 0 DDAALP CC[NH+](C[C@H]1COc2ccccc2O1)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000046087371 418445123 /nfs/dbraw/zinc/44/51/23/418445123.db2.gz WEYGMJAATYFTLO-YJBOKZPZSA-N 2 2 320.433 1.605 50 0 DDAALP C[C@@H]1C[NH+]=C(N2CC[NH+](C[C@H](O)c3ccccc3)CC2)S1 ZINC000079496563 278834833 /nfs/dbraw/zinc/83/48/33/278834833.db2.gz CSTYDQFTPPGBGT-HIFRSBDPSA-N 2 2 305.447 1.829 50 0 DDAALP Cn1cc[nH+]c1CCC[N@H+](C)Cc1cc2n(n1)CCC[NH2+]C2 ZINC000072134538 191047147 /nfs/dbraw/zinc/04/71/47/191047147.db2.gz TYTSMLSYPVCQAW-UHFFFAOYSA-N 3 2 302.426 1.175 50 0 DDAALP Cn1cc[nH+]c1CCC[N@@H+](C)Cc1cc2n(n1)CCC[NH2+]C2 ZINC000072134538 191047151 /nfs/dbraw/zinc/04/71/51/191047151.db2.gz TYTSMLSYPVCQAW-UHFFFAOYSA-N 3 2 302.426 1.175 50 0 DDAALP C[NH+]1CCC(C(=O)NCCc2[nH]cc[nH+]2)(c2ccccc2)CC1 ZINC000584896504 354796874 /nfs/dbraw/zinc/79/68/74/354796874.db2.gz NEKKOKXQALHFRK-UHFFFAOYSA-N 2 2 312.417 1.732 50 0 DDAALP Cn1c(C[NH+]2CCCCCC2)nnc1C1CC[NH+](CC[NH3+])CC1 ZINC000091914683 193126217 /nfs/dbraw/zinc/12/62/17/193126217.db2.gz YRPIABVLARBONR-UHFFFAOYSA-N 3 2 320.485 1.329 50 0 DDAALP CC(C)CC(=O)C(=O)N1CCC[C@@H]([N@H+](C)CCC[NH+](C)C)C1 ZINC000011708791 406830805 /nfs/dbraw/zinc/83/08/05/406830805.db2.gz RNMGZFORACVBPZ-OAHLLOKOSA-N 2 2 311.470 1.476 50 0 DDAALP CC(C)CC(=O)C(=O)N1CCC[C@@H]([N@@H+](C)CCC[NH+](C)C)C1 ZINC000011708791 406830807 /nfs/dbraw/zinc/83/08/07/406830807.db2.gz RNMGZFORACVBPZ-OAHLLOKOSA-N 2 2 311.470 1.476 50 0 DDAALP C[C@H](C(=O)N(C)C1CCN(c2cccc[nH+]2)CC1)n1cc[nH+]c1 ZINC000071850991 406852419 /nfs/dbraw/zinc/85/24/19/406852419.db2.gz SVLAWMQVFNTJPG-CQSZACIVSA-N 2 2 313.405 1.967 50 0 DDAALP CC[C@H](O)C[NH+]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000071881099 406860667 /nfs/dbraw/zinc/86/06/67/406860667.db2.gz NSQMSNVYUYOYRI-DLBZAZTESA-N 2 2 319.449 1.204 50 0 DDAALP C[NH+](C)Cc1nc(C(=O)N2CCC[C@@]3(CC[N@H+](C)C3)C2)cs1 ZINC000067692617 407280472 /nfs/dbraw/zinc/28/04/72/407280472.db2.gz QPZBUXFOKHNHNH-INIZCTEOSA-N 2 2 322.478 1.763 50 0 DDAALP C[NH+](C)Cc1nc(C(=O)N2CCC[C@@]3(CC[N@@H+](C)C3)C2)cs1 ZINC000067692617 407280474 /nfs/dbraw/zinc/28/04/74/407280474.db2.gz QPZBUXFOKHNHNH-INIZCTEOSA-N 2 2 322.478 1.763 50 0 DDAALP Cc1ccc(NC[C@@H]2CC[N@H+](Cc3nnnn3C3CC3)C2)[nH+]c1 ZINC000097200825 407286515 /nfs/dbraw/zinc/28/65/15/407286515.db2.gz WHQVPAVEUGWJGG-ZDUSSCGKSA-N 2 2 313.409 1.645 50 0 DDAALP Cc1ccc(NC[C@@H]2CC[N@@H+](Cc3nnnn3C3CC3)C2)[nH+]c1 ZINC000097200825 407286516 /nfs/dbraw/zinc/28/65/16/407286516.db2.gz WHQVPAVEUGWJGG-ZDUSSCGKSA-N 2 2 313.409 1.645 50 0 DDAALP C[N@H+]1C[C@@H]2C[NH+](Cc3ccc(Cl)cc3-n3cncn3)C[C@@H]2C1 ZINC000253428601 407447059 /nfs/dbraw/zinc/44/70/59/407447059.db2.gz JXQAIBMTWFUHMF-OKILXGFUSA-N 2 2 317.824 1.914 50 0 DDAALP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(Cl)cc3-n3cncn3)C[C@@H]2C1 ZINC000253428601 407447062 /nfs/dbraw/zinc/44/70/62/407447062.db2.gz JXQAIBMTWFUHMF-OKILXGFUSA-N 2 2 317.824 1.914 50 0 DDAALP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3-n3cncn3)C[C@@H]2C1 ZINC000253428601 407447067 /nfs/dbraw/zinc/44/70/67/407447067.db2.gz JXQAIBMTWFUHMF-OKILXGFUSA-N 2 2 317.824 1.914 50 0 DDAALP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc(Cl)cc3-n3cncn3)C[C@@H]2C1 ZINC000253428601 407447071 /nfs/dbraw/zinc/44/70/71/407447071.db2.gz JXQAIBMTWFUHMF-OKILXGFUSA-N 2 2 317.824 1.914 50 0 DDAALP C[N@H+](CCCNc1cc(C2CC([NH3+])C2)[nH+]c(N)n1)C1CCCC1 ZINC000223880254 407573910 /nfs/dbraw/zinc/57/39/10/407573910.db2.gz CKZBBCWUFUAMMB-UHFFFAOYSA-N 3 2 318.469 1.940 50 0 DDAALP C[N@@H+](CCCNc1cc(C2CC([NH3+])C2)[nH+]c(N)n1)C1CCCC1 ZINC000223880254 407573916 /nfs/dbraw/zinc/57/39/16/407573916.db2.gz CKZBBCWUFUAMMB-UHFFFAOYSA-N 3 2 318.469 1.940 50 0 DDAALP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000130389780 407683917 /nfs/dbraw/zinc/68/39/17/407683917.db2.gz KYEHTEKTRYWDAI-GOSISDBHSA-N 2 2 318.465 1.308 50 0 DDAALP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000130389780 407683925 /nfs/dbraw/zinc/68/39/25/407683925.db2.gz KYEHTEKTRYWDAI-GOSISDBHSA-N 2 2 318.465 1.308 50 0 DDAALP C[N@H+](CCCO)C1CCN(c2cc(N3CCCC3)[nH+]cn2)CC1 ZINC000241588327 407912798 /nfs/dbraw/zinc/91/27/98/407912798.db2.gz PBZIPNJUXJGSEX-UHFFFAOYSA-N 2 2 319.453 1.360 50 0 DDAALP C[N@@H+](CCCO)C1CCN(c2cc(N3CCCC3)[nH+]cn2)CC1 ZINC000241588327 407912800 /nfs/dbraw/zinc/91/28/00/407912800.db2.gz PBZIPNJUXJGSEX-UHFFFAOYSA-N 2 2 319.453 1.360 50 0 DDAALP C[N@H+](CCCO)C1CCN(c2cc(N3CCCC3)nc[nH+]2)CC1 ZINC000241588327 407912807 /nfs/dbraw/zinc/91/28/07/407912807.db2.gz PBZIPNJUXJGSEX-UHFFFAOYSA-N 2 2 319.453 1.360 50 0 DDAALP C[N@@H+](CCCO)C1CCN(c2cc(N3CCCC3)nc[nH+]2)CC1 ZINC000241588327 407912815 /nfs/dbraw/zinc/91/28/15/407912815.db2.gz PBZIPNJUXJGSEX-UHFFFAOYSA-N 2 2 319.453 1.360 50 0 DDAALP CN(CC[N@H+](C)C1CCCC1)c1cc([C@H]2C[C@@H]([NH3+])C2)[nH+]c(N)n1 ZINC000244852823 407941660 /nfs/dbraw/zinc/94/16/60/407941660.db2.gz UZQQXPJMZXGELN-BETUJISGSA-N 3 2 318.469 1.574 50 0 DDAALP CN(CC[N@@H+](C)C1CCCC1)c1cc([C@H]2C[C@@H]([NH3+])C2)[nH+]c(N)n1 ZINC000244852823 407941668 /nfs/dbraw/zinc/94/16/68/407941668.db2.gz UZQQXPJMZXGELN-BETUJISGSA-N 3 2 318.469 1.574 50 0 DDAALP C[NH2+][C@@H]1CCCN(C(=O)c2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000151018707 408243115 /nfs/dbraw/zinc/24/31/15/408243115.db2.gz QDCVKLNCUFINRL-QGZVFWFLSA-N 2 2 317.433 1.343 50 0 DDAALP CCn1cc[nH+]c1CN(C)Cc1nnc([C@H]2C[C@@H]([NH3+])C2)n1CC ZINC000252552093 408804452 /nfs/dbraw/zinc/80/44/52/408804452.db2.gz UNQUPYVCEBIJDV-BETUJISGSA-N 2 2 317.441 1.351 50 0 DDAALP Cc1[nH+]c[nH]c1CNC(=O)c1ccc(C)c(OCCC[NH3+])c1 ZINC000426615126 419515215 /nfs/dbraw/zinc/51/52/15/419515215.db2.gz KCACLNUNFHMWMT-UHFFFAOYSA-N 2 2 302.378 1.684 50 0 DDAALP OCc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1F ZINC000655698516 424638231 /nfs/dbraw/zinc/63/82/31/424638231.db2.gz GXUQUCIZHBINBO-INIZCTEOSA-N 2 2 308.397 1.661 50 0 DDAALP CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@H]2C[NH+]3CCN2CC3)c1 ZINC000090647416 484012324 /nfs/dbraw/zinc/01/23/24/484012324.db2.gz CEMIZWALUMOYFZ-DYVFJYSZSA-N 2 2 302.422 1.295 50 0 DDAALP Cc1cc(C(=O)NCC2([NH+](C)C)CC[NH+](C)CC2)cc(C)n1 ZINC000823759627 758349630 /nfs/dbraw/zinc/34/96/30/758349630.db2.gz YSWITVMFMRZXBN-UHFFFAOYSA-N 2 2 304.438 1.454 50 0 DDAALP NC(=O)Cn1cc[nH+]c1C1CC[NH+](CCCn2cccc2)CC1 ZINC000095523133 185377897 /nfs/dbraw/zinc/37/78/97/185377897.db2.gz VEQAHHZXITXCJR-UHFFFAOYSA-N 2 2 315.421 1.440 50 0 DDAALP CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)[C@@H](C)[NH3+] ZINC000195554690 354296537 /nfs/dbraw/zinc/29/65/37/354296537.db2.gz HAVIEWDUZPQNNP-YSVLISHTSA-N 2 2 318.465 1.796 50 0 DDAALP CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)[C@@H](C)[NH3+] ZINC000195554690 354296544 /nfs/dbraw/zinc/29/65/44/354296544.db2.gz HAVIEWDUZPQNNP-YSVLISHTSA-N 2 2 318.465 1.796 50 0 DDAALP C[C@@H](CCC(=O)NCc1c[nH+]cn1C1CC1)[NH+]1CCOCC1 ZINC000584887403 354790273 /nfs/dbraw/zinc/79/02/73/354790273.db2.gz LYKJCHWTSMVHRV-ZDUSSCGKSA-N 2 2 306.410 1.335 50 0 DDAALP CC[NH+](CC)C[C@@H](O)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000058078776 184073380 /nfs/dbraw/zinc/07/33/80/184073380.db2.gz KREUHZLWRFCVJP-IBGZPJMESA-N 3 2 319.493 1.943 50 0 DDAALP Cc1n[nH]cc1C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000065529409 184360126 /nfs/dbraw/zinc/36/01/26/184360126.db2.gz MQSATSHMTDWSKV-UHFFFAOYSA-N 2 2 300.406 1.840 50 0 DDAALP CC[NH+](CC)CC(=O)N1CC[NH+](CCc2ccncc2)CC1 ZINC000069591939 406739801 /nfs/dbraw/zinc/73/98/01/406739801.db2.gz SPVQEMGSYZIBFG-UHFFFAOYSA-N 2 2 304.438 1.110 50 0 DDAALP CSc1nc(N2CCC([N@@H+]3CCC[C@H](O)C3)CC2)cc(C)[nH+]1 ZINC000077439573 406991111 /nfs/dbraw/zinc/99/11/11/406991111.db2.gz FBYLOFOPINDZGS-AWEZNQCLSA-N 2 2 322.478 1.932 50 0 DDAALP CSc1nc(N2CCC([N@H+]3CCC[C@H](O)C3)CC2)cc(C)[nH+]1 ZINC000077439573 406991113 /nfs/dbraw/zinc/99/11/13/406991113.db2.gz FBYLOFOPINDZGS-AWEZNQCLSA-N 2 2 322.478 1.932 50 0 DDAALP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCO[C@H](C)C3)c2cc1C ZINC000051179892 407137228 /nfs/dbraw/zinc/13/72/28/407137228.db2.gz WEGIZTOWBODOHK-CABCVRRESA-N 2 2 303.406 1.735 50 0 DDAALP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCO[C@H](C)C3)c2cc1C ZINC000051179892 407137231 /nfs/dbraw/zinc/13/72/31/407137231.db2.gz WEGIZTOWBODOHK-CABCVRRESA-N 2 2 303.406 1.735 50 0 DDAALP Cc1ccc(NC[C@H]2CC[N@H+](Cc3nnnn3C3CC3)C2)[nH+]c1 ZINC000097200826 407286730 /nfs/dbraw/zinc/28/67/30/407286730.db2.gz WHQVPAVEUGWJGG-CYBMUJFWSA-N 2 2 313.409 1.645 50 0 DDAALP Cc1ccc(NC[C@H]2CC[N@@H+](Cc3nnnn3C3CC3)C2)[nH+]c1 ZINC000097200826 407286731 /nfs/dbraw/zinc/28/67/31/407286731.db2.gz WHQVPAVEUGWJGG-CYBMUJFWSA-N 2 2 313.409 1.645 50 0 DDAALP O=C(NCC[NH+]1CCOCC1)c1ccc([C@@H]2CCC[NH2+]C2)cc1 ZINC000215790917 407490657 /nfs/dbraw/zinc/49/06/57/407490657.db2.gz WPVKGHLUFKUAMK-QGZVFWFLSA-N 2 2 317.433 1.216 50 0 DDAALP CSc1cccc(C[N@@H+]2C[C@H](O)[C@@H](N3CC[NH+](C)CC3)C2)c1 ZINC000216545825 407498150 /nfs/dbraw/zinc/49/81/50/407498150.db2.gz WCJQIWHGYCTCPX-IRXDYDNUSA-N 2 2 321.490 1.201 50 0 DDAALP CSc1cccc(C[N@H+]2C[C@H](O)[C@@H](N3CC[NH+](C)CC3)C2)c1 ZINC000216545825 407498156 /nfs/dbraw/zinc/49/81/56/407498156.db2.gz WCJQIWHGYCTCPX-IRXDYDNUSA-N 2 2 321.490 1.201 50 0 DDAALP C[NH+](C)Cc1cnc(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)s1 ZINC000241776757 407912434 /nfs/dbraw/zinc/91/24/34/407912434.db2.gz RSFSCGHFAPOKDX-CHWSQXEVSA-N 2 2 313.492 1.911 50 0 DDAALP C[NH+](C)Cc1cnc(C[N@H+]2CCS[C@@H]3COCC[C@H]32)s1 ZINC000241776757 407912441 /nfs/dbraw/zinc/91/24/41/407912441.db2.gz RSFSCGHFAPOKDX-CHWSQXEVSA-N 2 2 313.492 1.911 50 0 DDAALP Cc1[nH+]ccn1CCC[N@@H+]1CCNC(=O)[C@H]1c1cccc(F)c1 ZINC000243914789 407920860 /nfs/dbraw/zinc/92/08/60/407920860.db2.gz BKSANJAIYQVPES-MRXNPFEDSA-N 2 2 316.380 1.894 50 0 DDAALP Cc1[nH+]ccn1CCC[N@H+]1CCNC(=O)[C@H]1c1cccc(F)c1 ZINC000243914789 407920865 /nfs/dbraw/zinc/92/08/65/407920865.db2.gz BKSANJAIYQVPES-MRXNPFEDSA-N 2 2 316.380 1.894 50 0 DDAALP CN(CC1(CO)CCCC1)c1cc([C@H]2C[C@@H]([NH3+])C2)[nH+]c(N)n1 ZINC000252535667 408804275 /nfs/dbraw/zinc/80/42/75/408804275.db2.gz GOJKPUVOPBSXST-TXEJJXNPSA-N 2 2 305.426 1.252 50 0 DDAALP Cc1nonc1N1CC[NH+](C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000299791686 410630220 /nfs/dbraw/zinc/63/02/20/410630220.db2.gz FBWYISDJFFJCGU-JKSUJKDBSA-N 2 2 319.453 1.765 50 0 DDAALP Cc1nonc1N1CC[NH+](C[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000299791686 410630225 /nfs/dbraw/zinc/63/02/25/410630225.db2.gz FBWYISDJFFJCGU-JKSUJKDBSA-N 2 2 319.453 1.765 50 0 DDAALP [NH3+]CCCOc1ccc(C(=O)NCCc2[nH]cc[nH+]2)cc1Cl ZINC000299801728 410638527 /nfs/dbraw/zinc/63/85/27/410638527.db2.gz YNUFMKZKYVWUMA-UHFFFAOYSA-N 2 2 322.796 1.763 50 0 DDAALP CC[N@@H+]1CCc2ncnc(N3CC[NH+]4CCCC[C@@H]4C3)c2C1 ZINC000065549583 418486730 /nfs/dbraw/zinc/48/67/30/418486730.db2.gz UBNIVIYCFSNYER-CQSZACIVSA-N 2 2 301.438 1.529 50 0 DDAALP CC[N@H+]1CCc2ncnc(N3CC[NH+]4CCCC[C@@H]4C3)c2C1 ZINC000065549583 418486732 /nfs/dbraw/zinc/48/67/32/418486732.db2.gz UBNIVIYCFSNYER-CQSZACIVSA-N 2 2 301.438 1.529 50 0 DDAALP CC[NH+]1CCc2ncnc(N3CC[N@@H+]4CCCC[C@@H]4C3)c2C1 ZINC000065549583 418486734 /nfs/dbraw/zinc/48/67/34/418486734.db2.gz UBNIVIYCFSNYER-CQSZACIVSA-N 2 2 301.438 1.529 50 0 DDAALP CC[NH+]1CCc2ncnc(N3CC[N@H+]4CCCC[C@@H]4C3)c2C1 ZINC000065549583 418486738 /nfs/dbraw/zinc/48/67/38/418486738.db2.gz UBNIVIYCFSNYER-CQSZACIVSA-N 2 2 301.438 1.529 50 0 DDAALP CC[NH+]1CCC(CNC(=O)[C@@]2(C)CCCCO2)([NH+](C)C)CC1 ZINC000534635558 334308935 /nfs/dbraw/zinc/30/89/35/334308935.db2.gz JZVPXRMKIATIJH-MRXNPFEDSA-N 2 2 311.470 1.478 50 0 DDAALP CCCNC(=O)N[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C[NH+](C)C ZINC000169790813 697346765 /nfs/dbraw/zinc/34/67/65/697346765.db2.gz KINDZCWJAVEZSV-ZIAGYGMSSA-N 2 2 305.426 1.157 50 0 DDAALP CN(Cc1cc2cc(F)ccc2[nH]1)C(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC000952973846 721530213 /nfs/dbraw/zinc/53/02/13/721530213.db2.gz YPFONTSZPZBMRY-AWEZNQCLSA-N 2 2 315.352 1.559 50 0 DDAALP Cc1c[nH+]c(N2CCC[C@](O)(C[NH+]3CCCC3)C2)nc1N(C)C ZINC000082109550 192357425 /nfs/dbraw/zinc/35/74/25/192357425.db2.gz QGNSBFQCGKRIDL-KRWDZBQOSA-N 2 2 319.453 1.278 50 0 DDAALP CCc1[nH+]c2cc(NC(=O)[C@H]3C[NH2+]CCO3)ccc2n1CC ZINC000072424147 191159577 /nfs/dbraw/zinc/15/95/77/191159577.db2.gz PARJVZCLANTSFH-CQSZACIVSA-N 2 2 302.378 1.546 50 0 DDAALP CCc1[nH+]c2cc(NC(=O)[C@@H]3C[NH2+]CCO3)ccc2n1CC ZINC000072424146 191160172 /nfs/dbraw/zinc/16/01/72/191160172.db2.gz PARJVZCLANTSFH-AWEZNQCLSA-N 2 2 302.378 1.546 50 0 DDAALP Cc1ccnc(CC(=O)NCC2([NH+](C)C)CC[NH+](C)CC2)c1 ZINC000584894047 354795544 /nfs/dbraw/zinc/79/55/44/354795544.db2.gz ONSXGGGLHCKGNW-UHFFFAOYSA-N 2 2 304.438 1.075 50 0 DDAALP CC(C)c1ncc(C[N@@H+]2C[C@H](CO)[C@H](C[NH+]3CCCC3)C2)cn1 ZINC000091587281 193076458 /nfs/dbraw/zinc/07/64/58/193076458.db2.gz KEBJFADOYRKBQL-IAGOWNOFSA-N 2 2 318.465 1.736 50 0 DDAALP CC(C)c1ncc(C[N@H+]2C[C@H](CO)[C@H](C[NH+]3CCCC3)C2)cn1 ZINC000091587281 193076460 /nfs/dbraw/zinc/07/64/60/193076460.db2.gz KEBJFADOYRKBQL-IAGOWNOFSA-N 2 2 318.465 1.736 50 0 DDAALP OCC[NH+]1CCN(C2CC[NH+](Cc3cccc(F)c3)CC2)CC1 ZINC000020437699 182217816 /nfs/dbraw/zinc/21/78/16/182217816.db2.gz UHSMWXUVPODDJE-UHFFFAOYSA-N 2 2 321.440 1.400 50 0 DDAALP OCC[NH2+]CC[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000023468976 182361580 /nfs/dbraw/zinc/36/15/80/182361580.db2.gz XNYXHNHZXPIJQQ-UHFFFAOYSA-N 2 2 300.402 1.937 50 0 DDAALP C[C@H](CNC(=O)NCCCn1cc[nH+]c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000106083602 194185685 /nfs/dbraw/zinc/18/56/85/194185685.db2.gz FIOZHKOEAHRIJO-KFWWJZLASA-N 2 2 323.441 1.070 50 0 DDAALP C[C@H](CNC(=O)NCCCn1cc[nH+]c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000106083602 194185687 /nfs/dbraw/zinc/18/56/87/194185687.db2.gz FIOZHKOEAHRIJO-KFWWJZLASA-N 2 2 323.441 1.070 50 0 DDAALP C[N@H+](CC(=O)NCCCc1ccncc1)C1CC[NH+](C)CC1 ZINC000222562066 407558836 /nfs/dbraw/zinc/55/88/36/407558836.db2.gz QDELFYNBGVSBSE-UHFFFAOYSA-N 2 2 304.438 1.156 50 0 DDAALP C[N@@H+](CC(=O)NCCCc1ccncc1)C1CC[NH+](C)CC1 ZINC000222562066 407558837 /nfs/dbraw/zinc/55/88/37/407558837.db2.gz QDELFYNBGVSBSE-UHFFFAOYSA-N 2 2 304.438 1.156 50 0 DDAALP O=C1c2ccccc2C(=O)N1CC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000071897229 406863682 /nfs/dbraw/zinc/86/36/82/406863682.db2.gz UFHGGPJZRZHNMK-UHFFFAOYSA-N 2 2 324.384 1.816 50 0 DDAALP CC(C)C[NH+]1CCN(C(=O)c2ccnc(-n3cc[nH+]c3)c2)CC1 ZINC000050170208 407129017 /nfs/dbraw/zinc/12/90/17/407129017.db2.gz DDBXWNRKMOVEBT-UHFFFAOYSA-N 2 2 313.405 1.681 50 0 DDAALP Clc1cc2c(cc1C[NH+]1CCN([C@H]3CC[NH2+]C3)CC1)OCO2 ZINC000097076372 407278087 /nfs/dbraw/zinc/27/80/87/407278087.db2.gz DXZXFFOZJGWMPD-ZDUSSCGKSA-N 2 2 323.824 1.548 50 0 DDAALP Cc1cc(C)nc(CCNc2cc(C3CC([NH3+])C3)[nH+]c(N)n2)n1 ZINC000219236524 407527238 /nfs/dbraw/zinc/52/72/38/407527238.db2.gz FZFHDNMXAXRRFP-UHFFFAOYSA-N 2 2 313.409 1.325 50 0 DDAALP C[C@@H]1CN(C(=O)c2cccc(C[NH+]3CCOCC3)c2)C[C@@H](C)[NH2+]1 ZINC000153686148 407878711 /nfs/dbraw/zinc/87/87/11/407878711.db2.gz ZMJDDMGQZPMIBN-HUUCEWRRSA-N 2 2 317.433 1.341 50 0 DDAALP Cn1nccc1C[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000121227105 408168072 /nfs/dbraw/zinc/16/80/72/408168072.db2.gz GBQHLUREFNHMHE-UHFFFAOYSA-N 2 2 302.426 1.213 50 0 DDAALP Cn1nccc1C[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000121227105 408168077 /nfs/dbraw/zinc/16/80/77/408168077.db2.gz GBQHLUREFNHMHE-UHFFFAOYSA-N 2 2 302.426 1.213 50 0 DDAALP Cc1n[nH]c(C)c1CC[N@@H+](C)Cc1nnc([C@H]2C[C@@H]([NH3+])C2)n1C ZINC000252536672 408803272 /nfs/dbraw/zinc/80/32/72/408803272.db2.gz JDCCHXRTHOOUEN-BETUJISGSA-N 2 2 317.441 1.034 50 0 DDAALP Cc1n[nH]c(C)c1CC[N@H+](C)Cc1nnc([C@H]2C[C@@H]([NH3+])C2)n1C ZINC000252536672 408803276 /nfs/dbraw/zinc/80/32/76/408803276.db2.gz JDCCHXRTHOOUEN-BETUJISGSA-N 2 2 317.441 1.034 50 0 DDAALP CC(C)C[N@@H+]1C[C@@H]([NH3+])C[C@H]1C(=O)NCCc1ccccc1F ZINC000299799413 410638464 /nfs/dbraw/zinc/63/84/64/410638464.db2.gz RNLPYYAJTPKCOC-HOCLYGCPSA-N 2 2 307.413 1.542 50 0 DDAALP CC(C)C[N@H+]1C[C@@H]([NH3+])C[C@H]1C(=O)NCCc1ccccc1F ZINC000299799413 410638466 /nfs/dbraw/zinc/63/84/66/410638466.db2.gz RNLPYYAJTPKCOC-HOCLYGCPSA-N 2 2 307.413 1.542 50 0 DDAALP CCc1[nH+]ccn1CCCNc1cc([C@H]2CCOC2)[nH+]c(C)n1 ZINC000426712637 419535673 /nfs/dbraw/zinc/53/56/73/419535673.db2.gz LTMMIMQSQNVOOG-AWEZNQCLSA-N 2 2 315.421 2.550 50 0 DDAALP Cc1c[nH]c([C@H](C)NC(=O)c2cc(F)ccc2OCC[NH3+])[nH+]1 ZINC000426739604 419544404 /nfs/dbraw/zinc/54/44/04/419544404.db2.gz DLUNYDGCSLEXEA-JTQLQIEISA-N 2 2 306.341 1.686 50 0 DDAALP CC[NH+]1CCC(CNC(=O)[C@]2(C)CCCCO2)([NH+](C)C)CC1 ZINC000534635557 334308953 /nfs/dbraw/zinc/30/89/53/334308953.db2.gz JZVPXRMKIATIJH-INIZCTEOSA-N 2 2 311.470 1.478 50 0 DDAALP C[N@H+](CC(=O)N[C@H]1COC2(C1)CCCCC2)C1CC[NH2+]CC1 ZINC000534675211 334319863 /nfs/dbraw/zinc/31/98/63/334319863.db2.gz IDUJVGIDYFWZKY-CQSZACIVSA-N 2 2 309.454 1.278 50 0 DDAALP C[N@@H+](CC(=O)N[C@H]1COC2(C1)CCCCC2)C1CC[NH2+]CC1 ZINC000534675211 334319865 /nfs/dbraw/zinc/31/98/65/334319865.db2.gz IDUJVGIDYFWZKY-CQSZACIVSA-N 2 2 309.454 1.278 50 0 DDAALP CCS(=O)(=O)NC[C@@H](C)[NH2+]Cc1ccc2[nH+]c(C)[nH]c2c1 ZINC000584902308 354800649 /nfs/dbraw/zinc/80/06/49/354800649.db2.gz IUZRJDVUBKXLGH-SNVBAGLBSA-N 2 2 310.423 1.289 50 0 DDAALP CCS(=O)(=O)NC[C@@H](C)[NH2+]Cc1ccc2[nH]c(C)[nH+]c2c1 ZINC000584902308 354800652 /nfs/dbraw/zinc/80/06/52/354800652.db2.gz IUZRJDVUBKXLGH-SNVBAGLBSA-N 2 2 310.423 1.289 50 0 DDAALP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H]1CCC2(CCCC2)O1 ZINC000585136517 354812826 /nfs/dbraw/zinc/81/28/26/354812826.db2.gz IYUXSCSGIXAIDI-OAHLLOKOSA-N 2 2 309.454 1.184 50 0 DDAALP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H]1CCC2(CCCC2)O1 ZINC000585136517 354812828 /nfs/dbraw/zinc/81/28/28/354812828.db2.gz IYUXSCSGIXAIDI-OAHLLOKOSA-N 2 2 309.454 1.184 50 0 DDAALP C[NH2+]CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000237263446 202210321 /nfs/dbraw/zinc/21/03/21/202210321.db2.gz UBQMIBXRAOAUQK-CYBMUJFWSA-N 2 2 313.804 1.779 50 0 DDAALP C[NH2+]CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000237263446 202210325 /nfs/dbraw/zinc/21/03/25/202210325.db2.gz UBQMIBXRAOAUQK-CYBMUJFWSA-N 2 2 313.804 1.779 50 0 DDAALP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000237428080 202262038 /nfs/dbraw/zinc/26/20/38/202262038.db2.gz LQEDFMKZMZESHW-IIAWOOMASA-N 2 2 302.422 1.414 50 0 DDAALP C[NH+](C)CCO[C@H]1C[C@@H](O)C12CCN(c1cc[nH+]cc1F)CC2 ZINC000091663748 193086774 /nfs/dbraw/zinc/08/67/74/193086774.db2.gz DAFZZDWRMDXAOR-CVEARBPZSA-N 2 2 323.412 1.519 50 0 DDAALP C[NH+](C)C[C@@H]1C[N@H+](Cc2ccc3cccc(F)c3n2)C[C@@H]1CO ZINC000091950795 193130983 /nfs/dbraw/zinc/13/09/83/193130983.db2.gz GKEWNHMIVINGMJ-HUUCEWRRSA-N 2 2 317.408 1.976 50 0 DDAALP C[NH+](C)C[C@@H]1C[N@@H+](Cc2ccc3cccc(F)c3n2)C[C@@H]1CO ZINC000091950795 193130985 /nfs/dbraw/zinc/13/09/85/193130985.db2.gz GKEWNHMIVINGMJ-HUUCEWRRSA-N 2 2 317.408 1.976 50 0 DDAALP COc1c(C[NH2+]Cc2cccnc2-n2cc[nH+]c2)c(C)nn1C ZINC000058393349 184112696 /nfs/dbraw/zinc/11/26/96/184112696.db2.gz TVHQYTNUORTQTH-UHFFFAOYSA-N 2 2 312.377 1.608 50 0 DDAALP CN(CC1CC[NH+](C)CC1)c1cc(N2CCC[C@H]2CO)[nH+]cn1 ZINC000106906031 407365582 /nfs/dbraw/zinc/36/55/82/407365582.db2.gz ZJAORRAZTOWHJE-HNNXBMFYSA-N 2 2 319.453 1.216 50 0 DDAALP CN(CC1CC[NH+](C)CC1)c1cc(N2CCC[C@H]2CO)nc[nH+]1 ZINC000106906031 407365584 /nfs/dbraw/zinc/36/55/84/407365584.db2.gz ZJAORRAZTOWHJE-HNNXBMFYSA-N 2 2 319.453 1.216 50 0 DDAALP COCc1cc(C[N@@H+]2CC[C@](O)(C[NH+](C)C)C2)ccc1OC ZINC000216235787 407496505 /nfs/dbraw/zinc/49/65/05/407496505.db2.gz YQBUNEOVLGOPMX-KRWDZBQOSA-N 2 2 308.422 1.340 50 0 DDAALP COCc1cc(C[N@H+]2CC[C@](O)(C[NH+](C)C)C2)ccc1OC ZINC000216235787 407496514 /nfs/dbraw/zinc/49/65/14/407496514.db2.gz YQBUNEOVLGOPMX-KRWDZBQOSA-N 2 2 308.422 1.340 50 0 DDAALP Cc1csc([C@@H](C)NC(=O)C[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000219785654 407532441 /nfs/dbraw/zinc/53/24/41/407532441.db2.gz HBKMIABATAFJEH-GFCCVEGCSA-N 2 2 310.467 1.655 50 0 DDAALP Cc1csc([C@@H](C)NC(=O)C[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000219785654 407532449 /nfs/dbraw/zinc/53/24/49/407532449.db2.gz HBKMIABATAFJEH-GFCCVEGCSA-N 2 2 310.467 1.655 50 0 DDAALP CN(C)c1cc(CNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc[nH+]1 ZINC000229176015 407656966 /nfs/dbraw/zinc/65/69/66/407656966.db2.gz SGGPHXCMLCHEKZ-CABCVRRESA-N 2 2 317.437 1.574 50 0 DDAALP CN(C)c1cc(CNC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc[nH+]1 ZINC000229176015 407656973 /nfs/dbraw/zinc/65/69/73/407656973.db2.gz SGGPHXCMLCHEKZ-CABCVRRESA-N 2 2 317.437 1.574 50 0 DDAALP Cn1ncc2c1nc(NC[C@H]1CC[N@@H+](C(C)(C)C)C1)[nH+]c2N ZINC000534582545 416507121 /nfs/dbraw/zinc/50/71/21/416507121.db2.gz UJJODQYQBLSGRQ-SNVBAGLBSA-N 2 2 303.414 1.478 50 0 DDAALP Cn1ncc2c1nc(NC[C@H]1CC[N@H+](C(C)(C)C)C1)[nH+]c2N ZINC000534582545 416507125 /nfs/dbraw/zinc/50/71/25/416507125.db2.gz UJJODQYQBLSGRQ-SNVBAGLBSA-N 2 2 303.414 1.478 50 0 DDAALP C[N@@H+]1CCC[C@H](CCC(=O)NCC2=CSC3=[NH+]CCN23)C1 ZINC000102681217 418495698 /nfs/dbraw/zinc/49/56/98/418495698.db2.gz FVAYQAWZBGUPAI-GFCCVEGCSA-N 2 2 308.451 1.484 50 0 DDAALP C[N@H+]1CCC[C@H](CCC(=O)NCC2=CSC3=[NH+]CCN23)C1 ZINC000102681217 418495701 /nfs/dbraw/zinc/49/57/01/418495701.db2.gz FVAYQAWZBGUPAI-GFCCVEGCSA-N 2 2 308.451 1.484 50 0 DDAALP COc1ncccc1C[NH+]1CCN(c2cc(C)[nH+]c(N)n2)CC1 ZINC000065382385 278094789 /nfs/dbraw/zinc/09/47/89/278094789.db2.gz FYNWKLMZGOFEQZ-UHFFFAOYSA-N 2 2 314.393 1.093 50 0 DDAALP C[N@@H+]1CCN(C(=O)Cc2ccccc2C(F)(F)F)[C@H](C[NH3+])C1 ZINC000097228978 337382276 /nfs/dbraw/zinc/38/22/76/337382276.db2.gz DYUHCBCCPCDLSB-GFCCVEGCSA-N 2 2 315.339 1.349 50 0 DDAALP C[N@H+]1CCN(C(=O)Cc2ccccc2C(F)(F)F)[C@H](C[NH3+])C1 ZINC000097228978 337382277 /nfs/dbraw/zinc/38/22/77/337382277.db2.gz DYUHCBCCPCDLSB-GFCCVEGCSA-N 2 2 315.339 1.349 50 0 DDAALP C[N@H+](CC(=O)N1C[C@@H]2CC[NH+](C)[C@@H]2C1)Cc1ccc(F)cc1 ZINC000077303424 483962413 /nfs/dbraw/zinc/96/24/13/483962413.db2.gz DJBUOPZRUSIZSV-GOEBONIOSA-N 2 2 305.397 1.420 50 0 DDAALP C[N@@H+](CC(=O)N1C[C@@H]2CC[NH+](C)[C@@H]2C1)Cc1ccc(F)cc1 ZINC000077303424 483962420 /nfs/dbraw/zinc/96/24/20/483962420.db2.gz DJBUOPZRUSIZSV-GOEBONIOSA-N 2 2 305.397 1.420 50 0 DDAALP C[NH+](CC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1)Cc1ccc(F)cc1 ZINC000077303424 483962427 /nfs/dbraw/zinc/96/24/27/483962427.db2.gz DJBUOPZRUSIZSV-GOEBONIOSA-N 2 2 305.397 1.420 50 0 DDAALP C[NH+](CC(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1)Cc1ccc(F)cc1 ZINC000077303424 483962432 /nfs/dbraw/zinc/96/24/32/483962432.db2.gz DJBUOPZRUSIZSV-GOEBONIOSA-N 2 2 305.397 1.420 50 0 DDAALP Cc1ccc([C@H]2C[N@H+](CCC(=O)N3CC[NH+](C)CC3)CCO2)o1 ZINC000328586395 231230782 /nfs/dbraw/zinc/23/07/82/231230782.db2.gz MIOMNGFCORRQCH-MRXNPFEDSA-N 2 2 321.421 1.125 50 0 DDAALP Cc1ccc([C@H]2C[N@@H+](CCC(=O)N3CC[NH+](C)CC3)CCO2)o1 ZINC000328586395 231230784 /nfs/dbraw/zinc/23/07/84/231230784.db2.gz MIOMNGFCORRQCH-MRXNPFEDSA-N 2 2 321.421 1.125 50 0 DDAALP CN1CC[N@H+](C)C[C@@H]1C[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000221968369 539265347 /nfs/dbraw/zinc/26/53/47/539265347.db2.gz ZVPDFLIIYWCPAU-LBPRGKRZSA-N 2 2 317.355 1.763 50 0 DDAALP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000221968369 539265348 /nfs/dbraw/zinc/26/53/48/539265348.db2.gz ZVPDFLIIYWCPAU-LBPRGKRZSA-N 2 2 317.355 1.763 50 0 DDAALP C[NH+](C)CC(C)(C)CNc1cc(N2CCC[C@@H]2CO)nc[nH+]1 ZINC000072275980 191096464 /nfs/dbraw/zinc/09/64/64/191096464.db2.gz VMZAYLWNORCHGO-CYBMUJFWSA-N 2 2 307.442 1.437 50 0 DDAALP C[NH+](C)CC(C)(C)CNc1cc(N2CCC[C@@H]2CO)[nH+]cn1 ZINC000072275980 191096466 /nfs/dbraw/zinc/09/64/66/191096466.db2.gz VMZAYLWNORCHGO-CYBMUJFWSA-N 2 2 307.442 1.437 50 0 DDAALP CN(CC1CC[NH+](C)CC1)c1cc(N2CCC[C@@H]2CO)[nH+]cn1 ZINC000072276279 191097955 /nfs/dbraw/zinc/09/79/55/191097955.db2.gz ZJAORRAZTOWHJE-OAHLLOKOSA-N 2 2 319.453 1.216 50 0 DDAALP CN(CC1CC[NH+](C)CC1)c1cc(N2CCC[C@@H]2CO)nc[nH+]1 ZINC000072276279 191097956 /nfs/dbraw/zinc/09/79/56/191097956.db2.gz ZJAORRAZTOWHJE-OAHLLOKOSA-N 2 2 319.453 1.216 50 0 DDAALP Cc1cc(NC(=O)[C@@H](C)[NH+]2CCC(c3[nH]cc[nH+]3)CC2)on1 ZINC000072289470 191108783 /nfs/dbraw/zinc/10/87/83/191108783.db2.gz RLNNYNRXWMGLCF-LLVKDONJSA-N 2 2 303.366 1.913 50 0 DDAALP CCOCc1nc2c(c(NCc3[nH]cc[nH+]3)n1)CC[N@H+](C)CC2 ZINC000072410368 191154694 /nfs/dbraw/zinc/15/46/94/191154694.db2.gz YFYGHAJHDRMLBG-UHFFFAOYSA-N 2 2 316.409 1.379 50 0 DDAALP CCOCc1nc2c(c(NCc3[nH]cc[nH+]3)n1)CC[N@@H+](C)CC2 ZINC000072410368 191154697 /nfs/dbraw/zinc/15/46/97/191154697.db2.gz YFYGHAJHDRMLBG-UHFFFAOYSA-N 2 2 316.409 1.379 50 0 DDAALP c1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cnc(N3CCCC3)nc1)CCC2 ZINC000084613346 353725375 /nfs/dbraw/zinc/72/53/75/353725375.db2.gz VPQFRZVNMGUEQT-OAHLLOKOSA-N 2 2 312.421 1.941 50 0 DDAALP C[NH2+]CC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000237274867 202212547 /nfs/dbraw/zinc/21/25/47/202212547.db2.gz UBQMIBXRAOAUQK-ZDUSSCGKSA-N 2 2 313.804 1.779 50 0 DDAALP C[NH2+]CC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000237274867 202212549 /nfs/dbraw/zinc/21/25/49/202212549.db2.gz UBQMIBXRAOAUQK-ZDUSSCGKSA-N 2 2 313.804 1.779 50 0 DDAALP [NH3+]CCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000237872506 202375304 /nfs/dbraw/zinc/37/53/04/202375304.db2.gz KBECHHCTCHAYOM-CYBMUJFWSA-N 2 2 313.804 1.909 50 0 DDAALP [NH3+]CCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000237872506 202375306 /nfs/dbraw/zinc/37/53/06/202375306.db2.gz KBECHHCTCHAYOM-CYBMUJFWSA-N 2 2 313.804 1.909 50 0 DDAALP [NH3+]CCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000237877295 202376915 /nfs/dbraw/zinc/37/69/15/202376915.db2.gz KBECHHCTCHAYOM-ZDUSSCGKSA-N 2 2 313.804 1.909 50 0 DDAALP [NH3+]CCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000237877295 202376918 /nfs/dbraw/zinc/37/69/18/202376918.db2.gz KBECHHCTCHAYOM-ZDUSSCGKSA-N 2 2 313.804 1.909 50 0 DDAALP Cc1c[nH+]ccc1NC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000193945507 201151658 /nfs/dbraw/zinc/15/16/58/201151658.db2.gz ZQZZDROIFAHPRN-OKILXGFUSA-N 2 2 306.410 1.963 50 0 DDAALP Cc1c[nH+]ccc1NC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000193945507 201151662 /nfs/dbraw/zinc/15/16/62/201151662.db2.gz ZQZZDROIFAHPRN-OKILXGFUSA-N 2 2 306.410 1.963 50 0 DDAALP OCC[NH+]1CCN(C2CC[NH+](Cc3ccccc3F)CC2)CC1 ZINC000019868408 182158245 /nfs/dbraw/zinc/15/82/45/182158245.db2.gz UHBSYJMPGUTIJR-UHFFFAOYSA-N 2 2 321.440 1.400 50 0 DDAALP c1cc(C[NH2+][C@@H]2CCSC2)cc(OCC[NH+]2CCOCC2)c1 ZINC000095967458 407218496 /nfs/dbraw/zinc/21/84/96/407218496.db2.gz SGXJPJAMZKEDOZ-MRXNPFEDSA-N 2 2 322.474 1.993 50 0 DDAALP Cc1ccc2[nH+]cc(C[NH2+]C[C@@H]3COC4(CCOCC4)O3)n2c1 ZINC000095991131 407221640 /nfs/dbraw/zinc/22/16/40/407221640.db2.gz LQPQVCWDVMIKRQ-OAHLLOKOSA-N 2 2 317.389 1.654 50 0 DDAALP CCc1[nH]c(C[N@@H+]2CCc3nc(C)n(C)c(=O)c3CC2)c(C)[nH+]1 ZINC000065409956 407243717 /nfs/dbraw/zinc/24/37/17/407243717.db2.gz ITYVSVBNXBHMNZ-UHFFFAOYSA-N 2 2 315.421 1.283 50 0 DDAALP CCc1[nH]c(C[N@H+]2CCc3nc(C)n(C)c(=O)c3CC2)c(C)[nH+]1 ZINC000065409956 407243719 /nfs/dbraw/zinc/24/37/19/407243719.db2.gz ITYVSVBNXBHMNZ-UHFFFAOYSA-N 2 2 315.421 1.283 50 0 DDAALP c1cnc(N2CC[NH+](CCC[NH2+]C(C3CC3)C3CC3)CC2)nc1 ZINC000096476566 407271062 /nfs/dbraw/zinc/27/10/62/407271062.db2.gz CAKSTEWFGUYNGR-UHFFFAOYSA-N 2 2 315.465 1.767 50 0 DDAALP COc1cc2c(cc1C[N@@H+]1CCC[C@]3(CC[NH2+]C3)C1)OCO2 ZINC000067850962 407287531 /nfs/dbraw/zinc/28/75/31/407287531.db2.gz SSCNTSKPLREFRU-QGZVFWFLSA-N 2 2 304.390 1.999 50 0 DDAALP COc1cc2c(cc1C[N@H+]1CCC[C@]3(CC[NH2+]C3)C1)OCO2 ZINC000067850962 407287533 /nfs/dbraw/zinc/28/75/33/407287533.db2.gz SSCNTSKPLREFRU-QGZVFWFLSA-N 2 2 304.390 1.999 50 0 DDAALP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)[C@@H]([NH3+])C(C)C)CC2)c1 ZINC000195543800 407465267 /nfs/dbraw/zinc/46/52/67/407465267.db2.gz PVSZLOLQVOLVOM-PBHICJAKSA-N 2 2 319.449 1.884 50 0 DDAALP COC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000225397237 407579567 /nfs/dbraw/zinc/57/95/67/407579567.db2.gz WAFSDMXKRFPDPB-UONOGXRCSA-N 2 2 300.362 1.699 50 0 DDAALP Cc1nc(N(C)CCCc2[nH+]ccn2C)cc(C2CC(O)C2)[nH+]1 ZINC000219241607 407527504 /nfs/dbraw/zinc/52/75/04/407527504.db2.gz FJQHJBJEXNNWMJ-UHFFFAOYSA-N 2 2 315.421 1.826 50 0 DDAALP CCc1ncc(C[NH+]2CCC(N3CC[NH+](CC)CC3)CC2)cn1 ZINC000220437702 407542001 /nfs/dbraw/zinc/54/20/01/407542001.db2.gz AVODOJXRXZNXDX-UHFFFAOYSA-N 2 2 317.481 1.641 50 0 DDAALP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCO[C@@H](C)C3)c2cc1C ZINC000229235411 407657821 /nfs/dbraw/zinc/65/78/21/407657821.db2.gz WEGIZTOWBODOHK-LSDHHAIUSA-N 2 2 303.406 1.735 50 0 DDAALP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCO[C@@H](C)C3)c2cc1C ZINC000229235411 407657830 /nfs/dbraw/zinc/65/78/30/407657830.db2.gz WEGIZTOWBODOHK-LSDHHAIUSA-N 2 2 303.406 1.735 50 0 DDAALP C[NH2+][C@H]1CCCN(C(=O)c2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000151018742 408243453 /nfs/dbraw/zinc/24/34/53/408243453.db2.gz QDCVKLNCUFINRL-KRWDZBQOSA-N 2 2 317.433 1.343 50 0 DDAALP CCOC(=O)N1CC[NH+](Cc2ccc3c(c2)C[NH2+]CCO3)CC1 ZINC000299789164 410633129 /nfs/dbraw/zinc/63/31/29/410633129.db2.gz RZXRFRAKXKDWIR-UHFFFAOYSA-N 2 2 319.405 1.443 50 0 DDAALP Cn1cc([C@H](CNc2cc(N3CCCC3)[nH+]cn2)[NH+](C)C)cn1 ZINC000302873438 410881107 /nfs/dbraw/zinc/88/11/07/410881107.db2.gz CRGMBYRBUJJBHA-AWEZNQCLSA-N 2 2 315.425 1.525 50 0 DDAALP C[NH+](C)[C@H]1CC[C@@H](NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000408515770 418805825 /nfs/dbraw/zinc/80/58/25/418805825.db2.gz YHSFOYDGVALEQC-VNQPRFMTSA-N 2 2 309.454 1.229 50 0 DDAALP C[NH+](C)[C@H]1CC[C@@H](NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000408515770 418805828 /nfs/dbraw/zinc/80/58/28/418805828.db2.gz YHSFOYDGVALEQC-VNQPRFMTSA-N 2 2 309.454 1.229 50 0 DDAALP COC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc2c(c1)C[NH2+]CCO2 ZINC000299791743 277124968 /nfs/dbraw/zinc/12/49/68/277124968.db2.gz HSEGLSPZJFZLBT-OAHLLOKOSA-N 2 2 304.390 1.696 50 0 DDAALP COC(=O)[C@H]1CCCC[N@H+]1Cc1ccc2c(c1)C[NH2+]CCO2 ZINC000299791743 277124970 /nfs/dbraw/zinc/12/49/70/277124970.db2.gz HSEGLSPZJFZLBT-OAHLLOKOSA-N 2 2 304.390 1.696 50 0 DDAALP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1nncn1C1CCCCC1 ZINC000823789174 758362041 /nfs/dbraw/zinc/36/20/41/758362041.db2.gz ORKUZLGLUKQDLB-OAHLLOKOSA-N 2 2 320.485 1.509 50 0 DDAALP Nc1nc(N2CCOc3ccccc3C2)cc(C2CC([NH3+])C2)[nH+]1 ZINC000223390268 539265870 /nfs/dbraw/zinc/26/58/70/539265870.db2.gz PVWIEKOJBDVOTH-UHFFFAOYSA-N 2 2 311.389 1.663 50 0 DDAALP C[C@H]1C[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C(C)(C)CO1 ZINC000097376908 353919784 /nfs/dbraw/zinc/91/97/84/353919784.db2.gz KSNLEIYNXUSEJB-AWEZNQCLSA-N 2 2 319.453 1.228 50 0 DDAALP C[C@H]1C[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C(C)(C)CO1 ZINC000097376908 353919786 /nfs/dbraw/zinc/91/97/86/353919786.db2.gz KSNLEIYNXUSEJB-AWEZNQCLSA-N 2 2 319.453 1.228 50 0 DDAALP COCC[N@H+]1[C@H](C)CN(C(=O)[C@H]([NH3+])c2ccccc2)C[C@@H]1C ZINC000195554742 354296682 /nfs/dbraw/zinc/29/66/82/354296682.db2.gz KZOQRNIXCGSPLK-IJEWVQPXSA-N 2 2 305.422 1.254 50 0 DDAALP COCC[N@@H+]1[C@H](C)CN(C(=O)[C@H]([NH3+])c2ccccc2)C[C@@H]1C ZINC000195554742 354296686 /nfs/dbraw/zinc/29/66/86/354296686.db2.gz KZOQRNIXCGSPLK-IJEWVQPXSA-N 2 2 305.422 1.254 50 0 DDAALP OC[C@H]1C[N@H+](CCCc2ccccc2)C[C@H]1C[NH+]1CCOCC1 ZINC000091643886 193083608 /nfs/dbraw/zinc/08/36/08/193083608.db2.gz BIXKQSWMKWDWMV-RTBURBONSA-N 2 2 318.461 1.492 50 0 DDAALP OC[C@H]1C[N@@H+](CCCc2ccccc2)C[C@H]1C[NH+]1CCOCC1 ZINC000091643886 193083609 /nfs/dbraw/zinc/08/36/09/193083609.db2.gz BIXKQSWMKWDWMV-RTBURBONSA-N 2 2 318.461 1.492 50 0 DDAALP CSCCC(=O)N1CCC(c2[nH+]ccn2CC[NH+](C)C)CC1 ZINC000091713075 193096005 /nfs/dbraw/zinc/09/60/05/193096005.db2.gz JHBMDEMPCVDLLX-UHFFFAOYSA-N 2 2 324.494 1.904 50 0 DDAALP COCCn1cc[nH+]c1[C@H]1CCCN(c2nc(N)cc[nH+]2)C1 ZINC000091757288 193103233 /nfs/dbraw/zinc/10/32/33/193103233.db2.gz HDGAVEANXMNDQF-LBPRGKRZSA-N 2 2 302.382 1.286 50 0 DDAALP Cc1noc(C)c1CC[NH+]1CCC([N@@H+]2CCC[C@@H](O)C2)CC1 ZINC000019840454 182155637 /nfs/dbraw/zinc/15/56/37/182155637.db2.gz NPCQKEVSNAAEFG-MRXNPFEDSA-N 2 2 307.438 1.755 50 0 DDAALP Cc1noc(C)c1CC[NH+]1CCC([N@H+]2CCC[C@@H](O)C2)CC1 ZINC000019840454 182155638 /nfs/dbraw/zinc/15/56/38/182155638.db2.gz NPCQKEVSNAAEFG-MRXNPFEDSA-N 2 2 307.438 1.755 50 0 DDAALP CCN(CC)c1cc(CCC(=O)N2CC[NH+](C)CC2)cc[nH+]1 ZINC000065269900 184320100 /nfs/dbraw/zinc/32/01/00/184320100.db2.gz KJVCAOCWIFTITJ-UHFFFAOYSA-N 2 2 304.438 1.634 50 0 DDAALP O=C1NCCCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000004022953 406719467 /nfs/dbraw/zinc/71/94/67/406719467.db2.gz IIKXWVZLHFUZQD-KRWDZBQOSA-N 2 2 301.434 1.909 50 0 DDAALP Cc1[nH+]cc(C[N@@H+]2CC[C@@]3(C2)CCCN(CC2CC2)C3=O)n1C ZINC000015062240 406878016 /nfs/dbraw/zinc/87/80/16/406878016.db2.gz KIJYZDXKTOAZDX-GOSISDBHSA-N 2 2 316.449 1.953 50 0 DDAALP Cc1[nH+]cc(C[N@H+]2CC[C@@]3(C2)CCCN(CC2CC2)C3=O)n1C ZINC000015062240 406878019 /nfs/dbraw/zinc/87/80/19/406878019.db2.gz KIJYZDXKTOAZDX-GOSISDBHSA-N 2 2 316.449 1.953 50 0 DDAALP CCCC(=O)NCCNc1cc(-n2c[nH+]c(C)c2C)nc[nH+]1 ZINC000072437624 406883197 /nfs/dbraw/zinc/88/31/97/406883197.db2.gz RHRKYMGTGIBZIR-UHFFFAOYSA-N 2 2 302.382 1.607 50 0 DDAALP C[N@@H+]1CCCCC[C@H]1C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000012433644 406845558 /nfs/dbraw/zinc/84/55/58/406845558.db2.gz RVJRFXZRPHIGQT-HNNXBMFYSA-N 2 2 313.405 1.758 50 0 DDAALP C[N@H+]1CCCCC[C@H]1C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000012433644 406845559 /nfs/dbraw/zinc/84/55/59/406845559.db2.gz RVJRFXZRPHIGQT-HNNXBMFYSA-N 2 2 313.405 1.758 50 0 DDAALP COc1ccc(-c2cc(C[NH2+]C[C@]3(O)CC[NH2+]C3)no2)cc1 ZINC000077353752 406986520 /nfs/dbraw/zinc/98/65/20/406986520.db2.gz NVOMTTBHIPYNLX-INIZCTEOSA-N 2 2 303.362 1.164 50 0 DDAALP CN(Cc1[nH+]ccn1C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000089761429 407147385 /nfs/dbraw/zinc/14/73/85/407147385.db2.gz KGQHUQVYBZVDPK-UHFFFAOYSA-N 2 2 313.449 1.954 50 0 DDAALP CCCCn1cc[nH+]c1C1CCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000102820483 407327925 /nfs/dbraw/zinc/32/79/25/407327925.db2.gz VABWNIGLYKLPLW-ZSHCYNCHSA-N 2 2 316.449 1.855 50 0 DDAALP C[C@@H](C[N@@H+]1CCc2ccccc2C1)[NH2+]CCc1nnc(N)s1 ZINC000067786843 407284418 /nfs/dbraw/zinc/28/44/18/407284418.db2.gz XXICQDMNKFALFK-LBPRGKRZSA-N 2 2 317.462 1.699 50 0 DDAALP C[C@@H](C[N@H+]1CCc2ccccc2C1)[NH2+]CCc1nnc(N)s1 ZINC000067786843 407284419 /nfs/dbraw/zinc/28/44/19/407284419.db2.gz XXICQDMNKFALFK-LBPRGKRZSA-N 2 2 317.462 1.699 50 0 DDAALP C[C@H](C(=O)N1CCOCC1)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000222197034 407553407 /nfs/dbraw/zinc/55/34/07/407553407.db2.gz JNBQLXZHEADMFS-CABCVRRESA-N 2 2 318.421 1.063 50 0 DDAALP C[C@H](C(=O)N1CCOCC1)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000222197034 407553409 /nfs/dbraw/zinc/55/34/09/407553409.db2.gz JNBQLXZHEADMFS-CABCVRRESA-N 2 2 318.421 1.063 50 0 DDAALP C[C@@H]1C[NH+](CCN(C)CC[N@H+]2C[C@H](C)OC[C@H]2C)[C@H](C)CO1 ZINC000252512308 408803734 /nfs/dbraw/zinc/80/37/34/408803734.db2.gz PETNUGAWVIEURH-VQHPVUNQSA-N 2 2 313.486 1.137 50 0 DDAALP C[C@@H]1C[NH+](CCN(C)CC[N@@H+]2C[C@H](C)OC[C@H]2C)[C@H](C)CO1 ZINC000252512308 408803737 /nfs/dbraw/zinc/80/37/37/408803737.db2.gz PETNUGAWVIEURH-VQHPVUNQSA-N 2 2 313.486 1.137 50 0 DDAALP C[C@@H]1C[N@@H+](CCN(C)CC[NH+]2C[C@H](C)OC[C@H]2C)[C@H](C)CO1 ZINC000252512308 408803739 /nfs/dbraw/zinc/80/37/39/408803739.db2.gz PETNUGAWVIEURH-VQHPVUNQSA-N 2 2 313.486 1.137 50 0 DDAALP C[C@@H]1C[N@H+](CCN(C)CC[NH+]2C[C@H](C)OC[C@H]2C)[C@H](C)CO1 ZINC000252512308 408803743 /nfs/dbraw/zinc/80/37/43/408803743.db2.gz PETNUGAWVIEURH-VQHPVUNQSA-N 2 2 313.486 1.137 50 0 DDAALP Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000237606554 163383482 /nfs/dbraw/zinc/38/34/82/163383482.db2.gz FPLUUNYOSGEKOK-KRWDZBQOSA-N 2 2 320.437 1.325 50 0 DDAALP Cc1cnc(SCC[NH+]2CCOCC2)nc1[C@@H]1CCC[NH2+]C1 ZINC000299791897 410630976 /nfs/dbraw/zinc/63/09/76/410630976.db2.gz COQMOIILLUGNEZ-CQSZACIVSA-N 2 2 322.478 1.676 50 0 DDAALP Cc1ccc[nH+]c1NCCNc1cc([C@H]2CCOC2)[nH+]c(C)n1 ZINC000426717010 419540787 /nfs/dbraw/zinc/54/07/87/419540787.db2.gz QUWYBVSGJFSJRM-AWEZNQCLSA-N 2 2 313.405 2.516 50 0 DDAALP CC(C)C[NH2+]C1(CO)CC[NH+](C[C@](C)(O)C(F)(F)F)CC1 ZINC000408524651 278918121 /nfs/dbraw/zinc/91/81/21/278918121.db2.gz XAZRLTUBNWOLSX-LBPRGKRZSA-N 2 2 312.376 1.372 50 0 DDAALP COCC[N@@H+]1CC[C@@H](C[NH2+]Cc2coc3ccccc3c2=O)C1 ZINC000952981724 721531684 /nfs/dbraw/zinc/53/16/84/721531684.db2.gz OZMXIUJLUGVCKR-AWEZNQCLSA-N 2 2 316.401 1.851 50 0 DDAALP COCC[N@H+]1CC[C@@H](C[NH2+]Cc2coc3ccccc3c2=O)C1 ZINC000952981724 721531686 /nfs/dbraw/zinc/53/16/86/721531686.db2.gz OZMXIUJLUGVCKR-AWEZNQCLSA-N 2 2 316.401 1.851 50 0 DDAALP CCc1[nH]c([C@H]2C[N@H+](C)C[C@@H]2C(=O)NC2CCOCC2)c(C)[nH+]1 ZINC000071730347 191017367 /nfs/dbraw/zinc/01/73/67/191017367.db2.gz OOFSLNXJQRBIFL-KBPBESRZSA-N 2 2 320.437 1.221 50 0 DDAALP CCc1[nH]c([C@H]2C[N@@H+](C)C[C@@H]2C(=O)NC2CCOCC2)c(C)[nH+]1 ZINC000071730347 191017370 /nfs/dbraw/zinc/01/73/70/191017370.db2.gz OOFSLNXJQRBIFL-KBPBESRZSA-N 2 2 320.437 1.221 50 0 DDAALP c1ccc2c(c1)[nH+]c1n2CN(CCC[NH+]2CCOCC2)CN1 ZINC000004702850 181139944 /nfs/dbraw/zinc/13/99/44/181139944.db2.gz OHVWFBVORRNYRO-UHFFFAOYSA-N 2 2 301.394 1.401 50 0 DDAALP Cn1cc[nH+]c1CNc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000080194938 192011741 /nfs/dbraw/zinc/01/17/41/192011741.db2.gz XGQRBCNSJSGDOU-UHFFFAOYSA-N 2 2 300.406 1.907 50 0 DDAALP CCN1CC2(CCC1=O)CC[NH+](CCc1[nH+]ccn1C)CC2 ZINC000091986732 193137617 /nfs/dbraw/zinc/13/76/17/193137617.db2.gz WJGRHRBJODCXPV-UHFFFAOYSA-N 2 2 304.438 1.687 50 0 DDAALP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000262642284 203362167 /nfs/dbraw/zinc/36/21/67/203362167.db2.gz LQEDFMKZMZESHW-FMKPAKJESA-N 2 2 302.422 1.414 50 0 DDAALP CCn1cc(C[N@@H+]2CCCN(C(=O)[C@H]3CCC[NH+]3C)CC2)cn1 ZINC000069585944 406740523 /nfs/dbraw/zinc/74/05/23/406740523.db2.gz SRVMBWGDBCDOKM-MRXNPFEDSA-N 2 2 319.453 1.032 50 0 DDAALP CCn1cc(C[N@H+]2CCCN(C(=O)[C@H]3CCC[NH+]3C)CC2)cn1 ZINC000069585944 406740528 /nfs/dbraw/zinc/74/05/28/406740528.db2.gz SRVMBWGDBCDOKM-MRXNPFEDSA-N 2 2 319.453 1.032 50 0 DDAALP CCn1cc(C[NH+]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cn1 ZINC000069585944 406740531 /nfs/dbraw/zinc/74/05/31/406740531.db2.gz SRVMBWGDBCDOKM-MRXNPFEDSA-N 2 2 319.453 1.032 50 0 DDAALP CCn1cc(C[NH+]2CCCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)cn1 ZINC000069585944 406740534 /nfs/dbraw/zinc/74/05/34/406740534.db2.gz SRVMBWGDBCDOKM-MRXNPFEDSA-N 2 2 319.453 1.032 50 0 DDAALP C(C[NH+]1CCOCC1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000071912118 406866679 /nfs/dbraw/zinc/86/66/79/406866679.db2.gz FQMISIGXRNHACQ-SFHVURJKSA-N 2 2 309.498 1.907 50 0 DDAALP C[N@@H+]1CCC[C@@H](C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000072301606 406880696 /nfs/dbraw/zinc/88/06/96/406880696.db2.gz GLMZAGLSPYLCEB-QGZVFWFLSA-N 2 2 312.417 1.889 50 0 DDAALP C[N@H+]1CCC[C@@H](C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000072301606 406880698 /nfs/dbraw/zinc/88/06/98/406880698.db2.gz GLMZAGLSPYLCEB-QGZVFWFLSA-N 2 2 312.417 1.889 50 0 DDAALP CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000071439729 406841183 /nfs/dbraw/zinc/84/11/83/406841183.db2.gz LULJRJJXWCIRON-CQSZACIVSA-N 3 2 319.453 1.174 50 0 DDAALP CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H]1CCC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000071439729 406841184 /nfs/dbraw/zinc/84/11/84/406841184.db2.gz LULJRJJXWCIRON-CQSZACIVSA-N 3 2 319.453 1.174 50 0 DDAALP NC(=O)C1CC[NH+](CCC[NH2+]Cc2cc(F)ccc2F)CC1 ZINC000071809781 406844832 /nfs/dbraw/zinc/84/48/32/406844832.db2.gz DWCWVRQIBQRMPX-UHFFFAOYSA-N 2 2 311.376 1.642 50 0 DDAALP CC[N@@H+]1CCO[C@@H](C(=O)NCCCNc2ccc(C)c[nH+]2)C1 ZINC000085383579 407100258 /nfs/dbraw/zinc/10/02/58/407100258.db2.gz MZTZEXLRIWCOTC-CQSZACIVSA-N 2 2 306.410 1.029 50 0 DDAALP CC[N@H+]1CCO[C@@H](C(=O)NCCCNc2ccc(C)c[nH+]2)C1 ZINC000085383579 407100260 /nfs/dbraw/zinc/10/02/60/407100260.db2.gz MZTZEXLRIWCOTC-CQSZACIVSA-N 2 2 306.410 1.029 50 0 DDAALP C[C@H]1C[NH+]=C(N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)S1 ZINC000079496566 407056816 /nfs/dbraw/zinc/05/68/16/407056816.db2.gz CSTYDQFTPPGBGT-DZGCQCFKSA-N 2 2 305.447 1.829 50 0 DDAALP Cc1cccc(N2CC[NH+](C[C@]3(O)CCC[N@@H+](C)C3)CC2)c1C ZINC000057279001 407214638 /nfs/dbraw/zinc/21/46/38/407214638.db2.gz FFAPFQNJLPWQCV-IBGZPJMESA-N 2 2 317.477 1.882 50 0 DDAALP Cc1cccc(N2CC[NH+](C[C@]3(O)CCC[N@H+](C)C3)CC2)c1C ZINC000057279001 407214641 /nfs/dbraw/zinc/21/46/41/407214641.db2.gz FFAPFQNJLPWQCV-IBGZPJMESA-N 2 2 317.477 1.882 50 0 DDAALP CN(C)c1[nH+]cc(CNC(=O)c2cccc(C[NH+](C)C)c2)n1C ZINC000096421714 407263523 /nfs/dbraw/zinc/26/35/23/407263523.db2.gz NDAMVLILQMUWKL-UHFFFAOYSA-N 2 2 315.421 1.478 50 0 DDAALP O=C(C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)NCc1ccco1 ZINC000097200513 407286316 /nfs/dbraw/zinc/28/63/16/407286316.db2.gz IKWHZCHPPAJHQX-AWEZNQCLSA-N 2 2 314.389 1.725 50 0 DDAALP O=C(C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)NCc1ccco1 ZINC000097200513 407286318 /nfs/dbraw/zinc/28/63/18/407286318.db2.gz IKWHZCHPPAJHQX-AWEZNQCLSA-N 2 2 314.389 1.725 50 0 DDAALP C[N@H+](Cc1nnc([C@H]2C[C@@H]([NH3+])C2)n1C1CC1)CC1(CO)CCC1 ZINC000240128304 407907421 /nfs/dbraw/zinc/90/74/21/407907421.db2.gz IPMBZQWUVBNCND-BETUJISGSA-N 2 2 319.453 1.412 50 0 DDAALP C[N@@H+](Cc1nnc([C@H]2C[C@@H]([NH3+])C2)n1C1CC1)CC1(CO)CCC1 ZINC000240128304 407907427 /nfs/dbraw/zinc/90/74/27/407907427.db2.gz IPMBZQWUVBNCND-BETUJISGSA-N 2 2 319.453 1.412 50 0 DDAALP Clc1cccc(N2CC[NH+](CCNC3=[NH+]CCCN3)CC2)c1 ZINC000252494103 408798074 /nfs/dbraw/zinc/79/80/74/408798074.db2.gz NKYBOZKETNRCEN-UHFFFAOYSA-N 2 2 321.856 1.401 50 0 DDAALP CC[N@@H+]1CCC[C@](O)(C[NH+]2CCN(c3ccccc3F)CC2)C1 ZINC000046087453 418445913 /nfs/dbraw/zinc/44/59/13/418445913.db2.gz BIPNZRNQBHJVQK-GOSISDBHSA-N 2 2 321.440 1.795 50 0 DDAALP CC[N@H+]1CCC[C@](O)(C[NH+]2CCN(c3ccccc3F)CC2)C1 ZINC000046087453 418445917 /nfs/dbraw/zinc/44/59/17/418445917.db2.gz BIPNZRNQBHJVQK-GOSISDBHSA-N 2 2 321.440 1.795 50 0 DDAALP CCn1cc[nH+]c1CN1CC[N@H+](C[C@@H]2CCCCO2)C[C@H]1C ZINC000252475211 222244068 /nfs/dbraw/zinc/24/40/68/222244068.db2.gz VYMNKXQWSCGXSR-CVEARBPZSA-N 2 2 306.454 1.978 50 0 DDAALP CCn1cc[nH+]c1CN1CC[N@@H+](C[C@@H]2CCCCO2)C[C@H]1C ZINC000252475211 222244073 /nfs/dbraw/zinc/24/40/73/222244073.db2.gz VYMNKXQWSCGXSR-CVEARBPZSA-N 2 2 306.454 1.978 50 0 DDAALP OCC[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C1CCC1 ZINC000408521774 418807978 /nfs/dbraw/zinc/80/79/78/418807978.db2.gz GIVFYHYPYBESDT-UHFFFAOYSA-N 2 2 304.434 1.866 50 0 DDAALP OCC[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C1CCC1 ZINC000408521774 418807979 /nfs/dbraw/zinc/80/79/79/418807979.db2.gz GIVFYHYPYBESDT-UHFFFAOYSA-N 2 2 304.434 1.866 50 0 DDAALP Cc1cc(C)c(C[N@@H+]2C[C@@H]3CC[NH2+][C@@H]3C2)cc1Cn1cncn1 ZINC000426581039 419510746 /nfs/dbraw/zinc/51/07/46/419510746.db2.gz UQRYVNBLQFOVOW-MAUKXSAKSA-N 2 2 311.433 1.737 50 0 DDAALP Cc1cc(C)c(C[N@H+]2C[C@@H]3CC[NH2+][C@@H]3C2)cc1Cn1cncn1 ZINC000426581039 419510754 /nfs/dbraw/zinc/51/07/54/419510754.db2.gz UQRYVNBLQFOVOW-MAUKXSAKSA-N 2 2 311.433 1.737 50 0 DDAALP OC[C@@H](C[NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cccnc1 ZINC000376803326 302105682 /nfs/dbraw/zinc/10/56/82/302105682.db2.gz XIQIPGBLGAZHRK-MRXNPFEDSA-N 2 2 312.417 1.811 50 0 DDAALP CCN1CCO[C@H](C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000072268801 353195623 /nfs/dbraw/zinc/19/56/23/353195623.db2.gz RYRXLWOYLKLJNN-QGZVFWFLSA-N 2 2 300.406 1.683 50 0 DDAALP Cc1c(C)[n+](=O)c2cc(N3CC[NH+](C)CC3)c(Cl)cc2n1O ZINC000136163754 354116903 /nfs/dbraw/zinc/11/69/03/354116903.db2.gz WTIDKGSPFOFXAQ-UHFFFAOYSA-N 2 2 323.804 1.815 50 0 DDAALP O=C(CCCC[NH+]1CCOCC1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000600119547 358129652 /nfs/dbraw/zinc/12/96/52/358129652.db2.gz ZJTCCTRGDVGQLP-OAHLLOKOSA-N 2 2 320.437 1.618 50 0 DDAALP C[C@@H]1C[N@H+](CCc2[nH+]ccn2C)CC[C@@]1(O)C1CCOCC1 ZINC000091808624 193111254 /nfs/dbraw/zinc/11/12/54/193111254.db2.gz LZARHBYBJMFHSD-PBHICJAKSA-N 2 2 307.438 1.462 50 0 DDAALP C[C@@H]1C[N@@H+](CCc2[nH+]ccn2C)CC[C@@]1(O)C1CCOCC1 ZINC000091808624 193111256 /nfs/dbraw/zinc/11/12/56/193111256.db2.gz LZARHBYBJMFHSD-PBHICJAKSA-N 2 2 307.438 1.462 50 0 DDAALP Cc1ccc(C[N@@H+]2CCN(Cc3c[nH+]c(C)[nH]3)C[C@@H]2CCO)o1 ZINC000023375263 182357846 /nfs/dbraw/zinc/35/78/46/182357846.db2.gz UVFCYJDKUXLEJK-INIZCTEOSA-N 2 2 318.421 1.688 50 0 DDAALP Cc1ccc(C[N@H+]2CCN(Cc3c[nH+]c(C)[nH]3)C[C@@H]2CCO)o1 ZINC000023375263 182357848 /nfs/dbraw/zinc/35/78/48/182357848.db2.gz UVFCYJDKUXLEJK-INIZCTEOSA-N 2 2 318.421 1.688 50 0 DDAALP Cc1ccc(C[N@@H+]2CCN(Cc3c[nH]c(C)[nH+]3)C[C@@H]2CCO)o1 ZINC000023375263 182357849 /nfs/dbraw/zinc/35/78/49/182357849.db2.gz UVFCYJDKUXLEJK-INIZCTEOSA-N 2 2 318.421 1.688 50 0 DDAALP Cc1ccc(C[N@H+]2CCN(Cc3c[nH]c(C)[nH+]3)C[C@@H]2CCO)o1 ZINC000023375263 182357850 /nfs/dbraw/zinc/35/78/50/182357850.db2.gz UVFCYJDKUXLEJK-INIZCTEOSA-N 2 2 318.421 1.688 50 0 DDAALP CC[NH+](CC)CCC[NH2+]CC(=O)Nc1ccccc1C(=O)OC ZINC000002649492 406694615 /nfs/dbraw/zinc/69/46/15/406694615.db2.gz NBFKIDFOVISKHR-UHFFFAOYSA-N 2 2 321.421 1.733 50 0 DDAALP CCn1cc[nH+]c1CN1CC[N@H+](C[C@@H]2CCCCO2)C[C@@H]1C ZINC000069518040 406727736 /nfs/dbraw/zinc/72/77/36/406727736.db2.gz VYMNKXQWSCGXSR-HOTGVXAUSA-N 2 2 306.454 1.978 50 0 DDAALP CCn1cc[nH+]c1CN1CC[N@@H+](C[C@@H]2CCCCO2)C[C@@H]1C ZINC000069518040 406727745 /nfs/dbraw/zinc/72/77/45/406727745.db2.gz VYMNKXQWSCGXSR-HOTGVXAUSA-N 2 2 306.454 1.978 50 0 DDAALP CC[C@@H]1CN(c2nc(N(C)C)cc(C)[nH+]2)CC[N@@H+]1C[C@@H](C)O ZINC000072276335 406876980 /nfs/dbraw/zinc/87/69/80/406876980.db2.gz YRPCXCIUJZBLCR-ZIAGYGMSSA-N 2 2 307.442 1.132 50 0 DDAALP CC[C@@H]1CN(c2nc(N(C)C)cc(C)[nH+]2)CC[N@H+]1C[C@@H](C)O ZINC000072276335 406876985 /nfs/dbraw/zinc/87/69/85/406876985.db2.gz YRPCXCIUJZBLCR-ZIAGYGMSSA-N 2 2 307.442 1.132 50 0 DDAALP O=C1NCCCC[C@@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000023283202 406891538 /nfs/dbraw/zinc/89/15/38/406891538.db2.gz GEDCMVGELZYCAQ-SFHVURJKSA-N 2 2 315.461 1.952 50 0 DDAALP Cc1[nH+]c2ccc(F)cc2c(N2CC[NH+](CC(N)=O)CC2)c1C ZINC000097144377 407282901 /nfs/dbraw/zinc/28/29/01/407282901.db2.gz GBBAVIVZGUJOPL-UHFFFAOYSA-N 2 2 316.380 1.598 50 0 DDAALP COCc1nc([C@H]2C[C@@H]([NH3+])C2)cc(N2CCc3[nH+]c[nH]c3C2)n1 ZINC000244874245 407940265 /nfs/dbraw/zinc/94/02/65/407940265.db2.gz WXEBGPXUVDJZNP-PHIMTYICSA-N 2 2 314.393 1.114 50 0 DDAALP CC(C)n1cc[nH+]c1C1CC[NH+](CCn2cc[nH]c2=O)CC1 ZINC000252483583 408796936 /nfs/dbraw/zinc/79/69/36/408796936.db2.gz FFOPHCOKUUIWMO-UHFFFAOYSA-N 2 2 303.410 1.833 50 0 DDAALP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000253369989 408814107 /nfs/dbraw/zinc/81/41/07/408814107.db2.gz KUTQPQRBWHXYGP-QKPAOTATSA-N 2 2 323.481 1.332 50 0 DDAALP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000253369989 408814108 /nfs/dbraw/zinc/81/41/08/408814108.db2.gz KUTQPQRBWHXYGP-QKPAOTATSA-N 2 2 323.481 1.332 50 0 DDAALP CCCC[NH+]1CCN(c2cc([C@H]3CCOC3)[nH+]c(N)n2)CC1 ZINC000426550402 419504943 /nfs/dbraw/zinc/50/49/43/419504943.db2.gz JSAZMWPGEUZUDV-ZDUSSCGKSA-N 2 2 305.426 1.485 50 0 DDAALP Cc1nc(NC[C@@H](c2cccs2)[NH+]2CCCC2)nc(N)[nH+]1 ZINC000585092628 483920627 /nfs/dbraw/zinc/92/06/27/483920627.db2.gz HHRVJCVINRVYDX-NSHDSACASA-N 2 2 304.423 1.495 50 0 DDAALP Cn1c(C[N@H+](C)CCO)nnc1C1CC[NH+](CC(C)(C)C)CC1 ZINC000077300212 483961893 /nfs/dbraw/zinc/96/18/93/483961893.db2.gz ZECMKMIYHNNJNN-UHFFFAOYSA-N 2 2 323.485 1.465 50 0 DDAALP Cn1c(C[N@@H+](C)CCO)nnc1C1CC[NH+](CC(C)(C)C)CC1 ZINC000077300212 483961901 /nfs/dbraw/zinc/96/19/01/483961901.db2.gz ZECMKMIYHNNJNN-UHFFFAOYSA-N 2 2 323.485 1.465 50 0 DDAALP COc1ccc([C@@H]2CCC[N@@H+]2C[C@H]2C[NH2+]CCO2)c(OC)c1 ZINC000685940165 539564920 /nfs/dbraw/zinc/56/49/20/539564920.db2.gz ITKFZOJQHYKQCP-ZBFHGGJFSA-N 2 2 306.406 1.829 50 0 DDAALP COc1ccc([C@@H]2CCC[N@H+]2C[C@H]2C[NH2+]CCO2)c(OC)c1 ZINC000685940165 539564923 /nfs/dbraw/zinc/56/49/23/539564923.db2.gz ITKFZOJQHYKQCP-ZBFHGGJFSA-N 2 2 306.406 1.829 50 0 DDAALP CN(CCn1cc[nH+]c1)C(=O)NCCCOC1CC[NH+](C)CC1 ZINC000584899316 354798832 /nfs/dbraw/zinc/79/88/32/354798832.db2.gz ADSLQUDJIYMDMI-UHFFFAOYSA-N 2 2 323.441 1.025 50 0 DDAALP C[NH+](C)CCn1cc[nH+]c1C1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000091617111 193079814 /nfs/dbraw/zinc/07/98/14/193079814.db2.gz CSKGLOLOKNPOHB-OAHLLOKOSA-N 2 2 320.437 1.330 50 0 DDAALP O=C(NCCn1cc[nH+]c1)[C@@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000091830525 193114258 /nfs/dbraw/zinc/11/42/58/193114258.db2.gz XJMHDKPWYFKKBD-CQSZACIVSA-N 2 2 302.378 1.505 50 0 DDAALP O=C(NCCn1cc[nH+]c1)[C@@H]1CCC[N@@H+](Cc2ccco2)C1 ZINC000091830525 193114260 /nfs/dbraw/zinc/11/42/60/193114260.db2.gz XJMHDKPWYFKKBD-CQSZACIVSA-N 2 2 302.378 1.505 50 0 DDAALP CCOC(=O)Cn1c2ccccc2n(CC[NH+](CC)CC)c1=[NH2+] ZINC000020130180 182190171 /nfs/dbraw/zinc/19/01/71/182190171.db2.gz GZXGOAWCJNKOJJ-UHFFFAOYSA-N 2 2 318.421 1.827 50 0 DDAALP C[C@@H](C(=O)N(C)C1CCN(c2cccc[nH+]2)CC1)n1cc[nH+]c1 ZINC000071850990 406852453 /nfs/dbraw/zinc/85/24/53/406852453.db2.gz SVLAWMQVFNTJPG-AWEZNQCLSA-N 2 2 313.405 1.967 50 0 DDAALP Cc1cc(N2CC[NH+](CCn3cc[nH+]c3)CC2)n2nccc2n1 ZINC000072407813 406881515 /nfs/dbraw/zinc/88/15/15/406881515.db2.gz HOUUTIQVYFZLED-UHFFFAOYSA-N 2 2 311.393 1.056 50 0 DDAALP O=C(Cn1cc[nH+]c1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000077340837 406985255 /nfs/dbraw/zinc/98/52/55/406985255.db2.gz AQFWOQDPAYYKJI-UHFFFAOYSA-N 2 2 314.389 1.106 50 0 DDAALP O[C@]1(C[NH2+]C2c3ccccc3-c3ccccc32)C[NH2+]CCOC1 ZINC000077393640 406988949 /nfs/dbraw/zinc/98/89/49/406988949.db2.gz BVSPSWNJNWRGJY-IBGZPJMESA-N 2 2 310.397 1.697 50 0 DDAALP CN(Cc1[nH]cc[nH+]1)Cc1nnc([C@H]2C[C@H]([NH3+])C2)n1C1CC1 ZINC000243892331 407921311 /nfs/dbraw/zinc/92/13/11/407921311.db2.gz AGDVOOOCJJSCPR-XYPYZODXSA-N 2 2 301.398 1.173 50 0 DDAALP C[C@H](NC(=O)C[N@H+](C)C1CC[NH2+]CC1)c1cc(F)cc(F)c1 ZINC000215722184 545650675 /nfs/dbraw/zinc/65/06/75/545650675.db2.gz YUIBSPAXAZIAIC-NSHDSACASA-N 2 2 311.376 1.826 50 0 DDAALP C[C@H](NC(=O)C[N@@H+](C)C1CC[NH2+]CC1)c1cc(F)cc(F)c1 ZINC000215722184 545650678 /nfs/dbraw/zinc/65/06/78/545650678.db2.gz YUIBSPAXAZIAIC-NSHDSACASA-N 2 2 311.376 1.826 50 0 DDAALP Cc1[nH+]ccn1[C@@H](C)C[NH+]1CCN(c2nc(C)cnc2C)CC1 ZINC000020858681 696071439 /nfs/dbraw/zinc/07/14/39/696071439.db2.gz QNXAZNPJLXCCRU-AWEZNQCLSA-N 2 2 314.437 1.982 50 0 DDAALP Cc1nc2ccccc2n1CC[NH2+][C@H](C)[C@H]1C[N@H+](C)CCN1C ZINC000888102161 709214096 /nfs/dbraw/zinc/21/40/96/709214096.db2.gz DVJLKISVFFDBAB-RDTXWAMCSA-N 2 2 315.465 1.569 50 0 DDAALP Cc1nc2ccccc2n1CC[NH2+][C@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC000888102161 709214097 /nfs/dbraw/zinc/21/40/97/709214097.db2.gz DVJLKISVFFDBAB-RDTXWAMCSA-N 2 2 315.465 1.569 50 0 DDAALP CN(Cc1ccco1)C(=O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000079354240 185166744 /nfs/dbraw/zinc/16/67/44/185166744.db2.gz CMOCSHCOVSJXCF-UHFFFAOYSA-N 2 2 302.378 1.772 50 0 DDAALP CC[C@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@@H]1[NH+]1CCOCC1 ZINC000084735800 353727364 /nfs/dbraw/zinc/72/73/64/353727364.db2.gz YTBSHNSTGAWMTP-HOTGVXAUSA-N 2 2 320.437 1.233 50 0 DDAALP CCOc1ccccc1N1CC[NH+](C[C@]2(O)CCC[NH2+]C2)CC1 ZINC000077355881 191698794 /nfs/dbraw/zinc/69/87/94/191698794.db2.gz VODJNHZQXIZZRE-SFHVURJKSA-N 2 2 319.449 1.322 50 0 DDAALP CCCn1cc[nH+]c1CN1C[C@H]2CC[C@H](C[N@H+]2CCOC)C1 ZINC000091643314 193084391 /nfs/dbraw/zinc/08/43/91/193084391.db2.gz XGAZPRWABFIZDC-JKSUJKDBSA-N 2 2 306.454 1.836 50 0 DDAALP CCCn1cc[nH+]c1CN1C[C@H]2CC[C@H](C[N@@H+]2CCOC)C1 ZINC000091643314 193084393 /nfs/dbraw/zinc/08/43/93/193084393.db2.gz XGAZPRWABFIZDC-JKSUJKDBSA-N 2 2 306.454 1.836 50 0 DDAALP Cc1noc(C)c1CCCNc1cc(C2CC([NH3+])C2)[nH+]c(N)n1 ZINC000223722654 407571259 /nfs/dbraw/zinc/57/12/59/407571259.db2.gz KPRMPWHKXVUUMG-UHFFFAOYSA-N 2 2 316.409 1.913 50 0 DDAALP CC(C)Cn1c[nH+]cc1C[N@@H+]1CC2(C[C@H]1C(=O)[O-])CC[NH2+]CC2 ZINC000072173739 406874985 /nfs/dbraw/zinc/87/49/85/406874985.db2.gz GWGKNDKUFGFICO-HNNXBMFYSA-N 2 2 320.437 1.568 50 0 DDAALP CC(C)Cn1c[nH+]cc1C[N@H+]1CC2(C[C@H]1C(=O)[O-])CC[NH2+]CC2 ZINC000072173739 406874989 /nfs/dbraw/zinc/87/49/89/406874989.db2.gz GWGKNDKUFGFICO-HNNXBMFYSA-N 2 2 320.437 1.568 50 0 DDAALP CC[NH+]1CCN(C(=O)c2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000030848207 406935471 /nfs/dbraw/zinc/93/54/71/406935471.db2.gz FNZJHPNDZXSWPS-UHFFFAOYSA-N 2 2 317.433 1.297 50 0 DDAALP O[C@@]1(C[NH2+]C2c3ccccc3-c3ccccc32)C[NH2+]CCOC1 ZINC000077393635 406989465 /nfs/dbraw/zinc/98/94/65/406989465.db2.gz BVSPSWNJNWRGJY-LJQANCHMSA-N 2 2 310.397 1.697 50 0 DDAALP C[NH2+]CCN(C)C(=O)c1cc(C[N@H+](C)Cc2ccccc2)on1 ZINC000067472714 407274678 /nfs/dbraw/zinc/27/46/78/407274678.db2.gz RSCWPMYDYJZWSH-UHFFFAOYSA-N 2 2 316.405 1.598 50 0 DDAALP C[NH2+]CCN(C)C(=O)c1cc(C[N@@H+](C)Cc2ccccc2)on1 ZINC000067472714 407274681 /nfs/dbraw/zinc/27/46/81/407274681.db2.gz RSCWPMYDYJZWSH-UHFFFAOYSA-N 2 2 316.405 1.598 50 0 DDAALP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCC[C@@H](O)C3)c2cc1C ZINC000229234130 407657495 /nfs/dbraw/zinc/65/74/95/407657495.db2.gz JELKTQZQPVMUHF-HUUCEWRRSA-N 2 2 303.406 1.471 50 0 DDAALP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCC[C@@H](O)C3)c2cc1C ZINC000229234130 407657501 /nfs/dbraw/zinc/65/75/01/407657501.db2.gz JELKTQZQPVMUHF-HUUCEWRRSA-N 2 2 303.406 1.471 50 0 DDAALP OCC1CC[NH+](CC[NH2+][C@@H]2CCN(c3ccccc3)C2)CC1 ZINC000534653049 334312936 /nfs/dbraw/zinc/31/29/36/334312936.db2.gz TXYSMDYWBOAAGG-QGZVFWFLSA-N 2 2 303.450 1.559 50 0 DDAALP Cc1ncnc(N2CC[NH+](CCc3[nH+]ccn3C)CC2)c1C ZINC000670454618 484839610 /nfs/dbraw/zinc/83/96/10/484839610.db2.gz GQHSHBAGENYPFT-UHFFFAOYSA-N 2 2 300.410 1.192 50 0 DDAALP C[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccc4nccn4n3)CC2)C1 ZINC000299775648 698599171 /nfs/dbraw/zinc/59/91/71/698599171.db2.gz GHUIIQZLUDWUCC-HNNXBMFYSA-N 2 2 314.437 1.193 50 0 DDAALP C[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccc4nccn4n3)CC2)C1 ZINC000299775648 698599178 /nfs/dbraw/zinc/59/91/78/698599178.db2.gz GHUIIQZLUDWUCC-HNNXBMFYSA-N 2 2 314.437 1.193 50 0 DDAALP CCn1cc[nH+]c1CNC(=O)[C@@H](C(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000331332458 529575507 /nfs/dbraw/zinc/57/55/07/529575507.db2.gz PASXVSHDGLSCCM-IJEWVQPXSA-N 2 2 322.453 1.653 50 0 DDAALP CCn1cc[nH+]c1CNC(=O)[C@@H](C(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000331332458 529575511 /nfs/dbraw/zinc/57/55/11/529575511.db2.gz PASXVSHDGLSCCM-IJEWVQPXSA-N 2 2 322.453 1.653 50 0 DDAALP COCCn1ccnc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000216060049 539264464 /nfs/dbraw/zinc/26/44/64/539264464.db2.gz PGDBHTDJAYACJB-UHFFFAOYSA-N 2 2 306.454 1.837 50 0 DDAALP c1cn(-c2ccc(C[N@@H+]3CCO[C@H](Cn4cncn4)C3)cc2)c[nH+]1 ZINC000072253369 191087275 /nfs/dbraw/zinc/08/72/75/191087275.db2.gz DBTVRCSOFCCTEU-KRWDZBQOSA-N 2 2 324.388 1.365 50 0 DDAALP c1cn(-c2ccc(C[N@H+]3CCO[C@H](Cn4cncn4)C3)cc2)c[nH+]1 ZINC000072253369 191087277 /nfs/dbraw/zinc/08/72/77/191087277.db2.gz DBTVRCSOFCCTEU-KRWDZBQOSA-N 2 2 324.388 1.365 50 0 DDAALP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2c(C)noc2C)nc[nH+]1 ZINC000072276607 191098455 /nfs/dbraw/zinc/09/84/55/191098455.db2.gz ZKKVXAHOQLNYGN-ZDUSSCGKSA-N 2 2 316.409 1.882 50 0 DDAALP Cn1ncc(C[NH+]2CCC([NH+]3CCC(O)CC3)CC2)c1C1CC1 ZINC000072481507 191181127 /nfs/dbraw/zinc/18/11/27/191181127.db2.gz XMIDEBUWDFRAHN-UHFFFAOYSA-N 2 2 318.465 1.719 50 0 DDAALP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCN(c2ccccc2)CC1 ZINC000091468938 193060660 /nfs/dbraw/zinc/06/06/60/193060660.db2.gz NKDGBVUFYJICBW-INIZCTEOSA-N 2 2 313.405 1.018 50 0 DDAALP C[N@@H+](Cc1cn(CC2CC[NH2+]CC2)nn1)C[C@H]1CCCCO1 ZINC000023619871 182364374 /nfs/dbraw/zinc/36/43/74/182364374.db2.gz SEPFONMXFSJHDL-MRXNPFEDSA-N 2 2 307.442 1.279 50 0 DDAALP C[N@H+](Cc1cn(CC2CC[NH2+]CC2)nn1)C[C@H]1CCCCO1 ZINC000023619871 182364376 /nfs/dbraw/zinc/36/43/76/182364376.db2.gz SEPFONMXFSJHDL-MRXNPFEDSA-N 2 2 307.442 1.279 50 0 DDAALP Cc1nnc2n1C[C@@H]([NH2+]Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC000065552908 184365599 /nfs/dbraw/zinc/36/55/99/184365599.db2.gz WEYDRPRJKBDQIG-HNNXBMFYSA-N 2 2 308.389 1.877 50 0 DDAALP COCc1nc(NCCc2c[nH]c[nH+]2)cc(C2CC([NH3+])C2)n1 ZINC000222770527 407559792 /nfs/dbraw/zinc/55/97/92/407559792.db2.gz ZSNFJCPMBMCLAS-UHFFFAOYSA-N 2 2 302.382 1.205 50 0 DDAALP COCc1nc(NCCc2c[nH+]c[nH]2)cc(C2CC([NH3+])C2)n1 ZINC000222770527 407559798 /nfs/dbraw/zinc/55/97/98/407559798.db2.gz ZSNFJCPMBMCLAS-UHFFFAOYSA-N 2 2 302.382 1.205 50 0 DDAALP COCC[N@@H+]1CCN(Cc2cn3cccc(C)c3[nH+]2)C[C@H]1C ZINC000071877560 406859148 /nfs/dbraw/zinc/85/91/48/406859148.db2.gz GXFORRACVZUIGG-OAHLLOKOSA-N 2 2 302.422 1.795 50 0 DDAALP COCC[N@H+]1CCN(Cc2cn3cccc(C)c3[nH+]2)C[C@H]1C ZINC000071877560 406859150 /nfs/dbraw/zinc/85/91/50/406859150.db2.gz GXFORRACVZUIGG-OAHLLOKOSA-N 2 2 302.422 1.795 50 0 DDAALP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2cnn(C)c2)nc[nH+]1 ZINC000075128746 406924148 /nfs/dbraw/zinc/92/41/48/406924148.db2.gz SFTKJUFTGDJYFO-ZDUSSCGKSA-N 2 2 301.398 1.010 50 0 DDAALP Cc1nnnn1CCC[N@H+]1CCCC[C@H]1CCc1[nH+]ccn1C ZINC000077341504 406985753 /nfs/dbraw/zinc/98/57/53/406985753.db2.gz VFPWVLFCDMRRJK-HNNXBMFYSA-N 2 2 317.441 1.592 50 0 DDAALP Cc1nnnn1CCC[N@@H+]1CCCC[C@H]1CCc1[nH+]ccn1C ZINC000077341504 406985756 /nfs/dbraw/zinc/98/57/56/406985756.db2.gz VFPWVLFCDMRRJK-HNNXBMFYSA-N 2 2 317.441 1.592 50 0 DDAALP C[C@@H](C[NH3+])C(=O)NCc1ccc[nH+]c1N(C)Cc1ccccc1 ZINC000067713657 407281132 /nfs/dbraw/zinc/28/11/32/407281132.db2.gz IMXFOFLLEBDBNN-AWEZNQCLSA-N 2 2 312.417 1.929 50 0 DDAALP Cc1n[nH]cc1C[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000097159305 407284313 /nfs/dbraw/zinc/28/43/13/407284313.db2.gz LDTDRCHRPRDAMY-UHFFFAOYSA-N 2 2 300.406 1.840 50 0 DDAALP O=C(C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)NCc1ccco1 ZINC000097200514 407286227 /nfs/dbraw/zinc/28/62/27/407286227.db2.gz IKWHZCHPPAJHQX-CQSZACIVSA-N 2 2 314.389 1.725 50 0 DDAALP O=C(C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)NCc1ccco1 ZINC000097200514 407286229 /nfs/dbraw/zinc/28/62/29/407286229.db2.gz IKWHZCHPPAJHQX-CQSZACIVSA-N 2 2 314.389 1.725 50 0 DDAALP Cn1c[nH+]cc1C[NH2+][C@H]1CCN(c2ccccc2Cl)C1=O ZINC000111388796 407409783 /nfs/dbraw/zinc/40/97/83/407409783.db2.gz CGWSFJCJJQWQQH-ZDUSSCGKSA-N 2 2 304.781 1.969 50 0 DDAALP C[NH2+][C@H]1CCCN(C(=O)c2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000133579575 407859455 /nfs/dbraw/zinc/85/94/55/407859455.db2.gz VFIKKLRBLUAVAX-KRWDZBQOSA-N 2 2 317.433 1.343 50 0 DDAALP CCn1c(C[N@H+](C)CC2(CO)CCCC2)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000244678678 407930471 /nfs/dbraw/zinc/93/04/71/407930471.db2.gz IIDUMHMCFRGGER-HDJSIYSDSA-N 2 2 321.469 1.487 50 0 DDAALP CCn1c(C[N@@H+](C)CC2(CO)CCCC2)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000244678678 407930477 /nfs/dbraw/zinc/93/04/77/407930477.db2.gz IIDUMHMCFRGGER-HDJSIYSDSA-N 2 2 321.469 1.487 50 0 DDAALP Cc1[nH+]c(CNC(=O)c2ccc(C)c(OCC[NH3+])c2)n(C)c1C ZINC000426533935 419502241 /nfs/dbraw/zinc/50/22/41/419502241.db2.gz DVJIHVOKGXFVPB-UHFFFAOYSA-N 2 2 316.405 1.613 50 0 DDAALP Cc1cccc(N2CCC([NH2+]C[C@H]3C[NH2+]CCO3)CC2)c1C ZINC000426544684 419503116 /nfs/dbraw/zinc/50/31/16/419503116.db2.gz IOYIGDKXIKRFDA-QGZVFWFLSA-N 2 2 303.450 1.850 50 0 DDAALP COCCn1cc[nH+]c1[C@@H]1CCCN(c2nc(N)cc[nH+]2)C1 ZINC000091757283 277559005 /nfs/dbraw/zinc/55/90/05/277559005.db2.gz HDGAVEANXMNDQF-GFCCVEGCSA-N 2 2 302.382 1.286 50 0 DDAALP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC3(CCOCC3)CC2)CC1 ZINC000367069637 307084542 /nfs/dbraw/zinc/08/45/42/307084542.db2.gz XNTQURXGIMAODM-INIZCTEOSA-N 2 2 323.481 1.432 50 0 DDAALP Cc1[nH+]ccn1CCN(C)C(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000534632903 334308221 /nfs/dbraw/zinc/30/82/21/334308221.db2.gz OYGODIJUHYTZET-AWEZNQCLSA-N 2 2 316.409 1.718 50 0 DDAALP Cc1[nH+]c(N2CCCC2)nc(N2CC[N@@H+](C)[C@@H](CCO)C2)c1C ZINC000670452708 484839822 /nfs/dbraw/zinc/83/98/22/484839822.db2.gz DCMSBLRCLGRMSF-HNNXBMFYSA-N 2 2 319.453 1.196 50 0 DDAALP Cc1[nH+]c(N2CCCC2)nc(N2CC[N@H+](C)[C@@H](CCO)C2)c1C ZINC000670452708 484839828 /nfs/dbraw/zinc/83/98/28/484839828.db2.gz DCMSBLRCLGRMSF-HNNXBMFYSA-N 2 2 319.453 1.196 50 0 DDAALP C[C@@H]1CN(C(=O)c2ccc(Cn3cc[nH+]c3)o2)C[C@@H]1[NH+](C)C ZINC000076056692 353394841 /nfs/dbraw/zinc/39/48/41/353394841.db2.gz CTAUVSVKVNEQNJ-OCCSQVGLSA-N 2 2 302.378 1.547 50 0 DDAALP CCc1cc(C(=O)N[C@@H]2CCC[N@@H+](C3CC[NH+](C)CC3)C2)on1 ZINC000020453442 182219348 /nfs/dbraw/zinc/21/93/48/182219348.db2.gz OXVJHYOGGGYGIK-CQSZACIVSA-N 2 2 320.437 1.525 50 0 DDAALP CCc1cc(C(=O)N[C@@H]2CCC[N@H+](C3CC[NH+](C)CC3)C2)on1 ZINC000020453442 182219349 /nfs/dbraw/zinc/21/93/49/182219349.db2.gz OXVJHYOGGGYGIK-CQSZACIVSA-N 2 2 320.437 1.525 50 0 DDAALP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(-n2cncn2)c(F)c1 ZINC000042229470 183245089 /nfs/dbraw/zinc/24/50/89/183245089.db2.gz SQMHWLORVYHWHH-GFCCVEGCSA-N 2 2 300.341 1.781 50 0 DDAALP CC[NH+]1CCN(c2nc(N)c3cc(OC)c(OC)cc3[nH+]2)CC1 ZINC000068427516 406639765 /nfs/dbraw/zinc/63/97/65/406639765.db2.gz ICJJGNLDZGNZSD-UHFFFAOYSA-N 2 2 317.393 1.371 50 0 DDAALP c1cc2n(n1)C[C@@H](C[NH2+]Cc1ccc(-n3cc[nH+]c3)nc1)CN2 ZINC000069443022 406710799 /nfs/dbraw/zinc/71/07/99/406710799.db2.gz WLPNADRYLHMIFW-AWEZNQCLSA-N 2 2 309.377 1.295 50 0 DDAALP C[C@H]1C[N@@H+](C2CCN(c3[nH+]cnc4c3cnn4C)CC2)CCO1 ZINC000071821712 406846151 /nfs/dbraw/zinc/84/61/51/406846151.db2.gz SLDIQQLOKDWIRN-LBPRGKRZSA-N 2 2 316.409 1.053 50 0 DDAALP C[C@H]1C[N@H+](C2CCN(c3[nH+]cnc4c3cnn4C)CC2)CCO1 ZINC000071821712 406846155 /nfs/dbraw/zinc/84/61/55/406846155.db2.gz SLDIQQLOKDWIRN-LBPRGKRZSA-N 2 2 316.409 1.053 50 0 DDAALP Cc1[nH+]cn(-c2cc(NCCNC(=O)C(C)(C)C)[nH+]cn2)c1C ZINC000072436966 406882659 /nfs/dbraw/zinc/88/26/59/406882659.db2.gz YRXHFPQZIRPTEO-UHFFFAOYSA-N 2 2 316.409 1.853 50 0 DDAALP C[C@H](C1CC[NH+](Cc2nccn2C)CC1)[NH+]1CCN(C)CC1 ZINC000077537420 406995174 /nfs/dbraw/zinc/99/51/74/406995174.db2.gz BWJAQLHPLSRKAI-OAHLLOKOSA-N 2 2 305.470 1.268 50 0 DDAALP CCc1[nH+]c2ccccc2n1CC(=O)N1CC[N@H+](C)C[C@H]1C ZINC000089295850 407129678 /nfs/dbraw/zinc/12/96/78/407129678.db2.gz XOXLRPPNRGCIGB-CYBMUJFWSA-N 2 2 300.406 1.761 50 0 DDAALP CCc1[nH+]c2ccccc2n1CC(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000089295850 407129680 /nfs/dbraw/zinc/12/96/80/407129680.db2.gz XOXLRPPNRGCIGB-CYBMUJFWSA-N 2 2 300.406 1.761 50 0 DDAALP COC(=O)[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@@H](C)O1 ZINC000089496939 407137751 /nfs/dbraw/zinc/13/77/51/407137751.db2.gz PYDDNDQTUYTNBI-CJNGLKHVSA-N 2 2 315.373 1.635 50 0 DDAALP COC(=O)[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@@H](C)O1 ZINC000089496939 407137752 /nfs/dbraw/zinc/13/77/52/407137752.db2.gz PYDDNDQTUYTNBI-CJNGLKHVSA-N 2 2 315.373 1.635 50 0 DDAALP Cc1cc(N2CCC[C@@H](Cn3cc[nH+]c3)C2)nc(N(C)C)[nH+]1 ZINC000065374325 407243581 /nfs/dbraw/zinc/24/35/81/407243581.db2.gz DEFHNUSQYDLWHA-AWEZNQCLSA-N 2 2 300.410 1.964 50 0 DDAALP COc1c(C[NH2+][C@@H]2CCc3[nH+]ccn3C2)c(C(C)C)nn1C ZINC000065523291 407244468 /nfs/dbraw/zinc/24/44/68/407244468.db2.gz ANILOMQDWLJQGP-GFCCVEGCSA-N 2 2 303.410 1.853 50 0 DDAALP Cc1cc(N2CC[NH+]([C@@H]3Cc4ccccc4[C@H]3O)CC2)nc(C)[nH+]1 ZINC000097034107 407276068 /nfs/dbraw/zinc/27/60/68/407276068.db2.gz LCNKWSNNNBUYSI-IEBWSBKVSA-N 2 2 324.428 1.874 50 0 DDAALP c1nc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)sc1C1OCCO1 ZINC000253428084 407448606 /nfs/dbraw/zinc/44/86/06/407448606.db2.gz IDCXUFHAPMQDNG-NSHDSACASA-N 2 2 309.435 1.762 50 0 DDAALP c1nc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)sc1C1OCCO1 ZINC000253428084 407448611 /nfs/dbraw/zinc/44/86/11/407448611.db2.gz IDCXUFHAPMQDNG-NSHDSACASA-N 2 2 309.435 1.762 50 0 DDAALP C[C@@H]1CCO[C@@H]1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000253433363 407451149 /nfs/dbraw/zinc/45/11/49/407451149.db2.gz VZQBHIISKMMOQZ-CVEARBPZSA-N 2 2 323.481 1.478 50 0 DDAALP C[C@H](C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1)CS(C)(=O)=O ZINC000230190004 407681596 /nfs/dbraw/zinc/68/15/96/407681596.db2.gz PZXHLCQQIUCWRW-KGLIPLIRSA-N 2 2 313.467 1.355 50 0 DDAALP C[C@H](C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1)CS(C)(=O)=O ZINC000230190004 407681600 /nfs/dbraw/zinc/68/16/00/407681600.db2.gz PZXHLCQQIUCWRW-KGLIPLIRSA-N 2 2 313.467 1.355 50 0 DDAALP C[N@H+](Cc1nnc([C@H]2C[C@@H]([NH3+])C2)n1C1CC1)CC1(C)COC1 ZINC000244601990 407928462 /nfs/dbraw/zinc/92/84/62/407928462.db2.gz DVTPGRFZASUEOK-TXEJJXNPSA-N 2 2 305.426 1.286 50 0 DDAALP C[N@@H+](Cc1nnc([C@H]2C[C@@H]([NH3+])C2)n1C1CC1)CC1(C)COC1 ZINC000244601990 407928467 /nfs/dbraw/zinc/92/84/67/407928467.db2.gz DVTPGRFZASUEOK-TXEJJXNPSA-N 2 2 305.426 1.286 50 0 DDAALP COc1cccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)n1 ZINC000191358217 408412257 /nfs/dbraw/zinc/41/22/57/408412257.db2.gz VOWNPFPYOCDORU-SJORKVTESA-N 2 2 319.449 1.948 50 0 DDAALP COCC[N@H+]1[C@H](C)CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@@H]1C ZINC000095434642 274034294 /nfs/dbraw/zinc/03/42/94/274034294.db2.gz COJADGMKOZRYQN-QLFBSQMISA-N 2 2 320.437 1.013 50 0 DDAALP COCC[N@@H+]1[C@H](C)CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@@H]1C ZINC000095434642 274034298 /nfs/dbraw/zinc/03/42/98/274034298.db2.gz COJADGMKOZRYQN-QLFBSQMISA-N 2 2 320.437 1.013 50 0 DDAALP CC(C)n1cc[nH+]c1CNC(=O)C[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC000534671361 334320602 /nfs/dbraw/zinc/32/06/02/334320602.db2.gz KMDPKYOZROYDQT-CQSZACIVSA-N 2 2 308.426 1.580 50 0 DDAALP CC(C)n1cc[nH+]c1CNC(=O)C[C@@H]1C[N@H+](C(C)C)CCO1 ZINC000534671361 334320604 /nfs/dbraw/zinc/32/06/04/334320604.db2.gz KMDPKYOZROYDQT-CQSZACIVSA-N 2 2 308.426 1.580 50 0 DDAALP CC[NH+]1CCC(Nc2cc(N3CCC[C@H]3CO)[nH+]cn2)CC1 ZINC000072276021 191096626 /nfs/dbraw/zinc/09/66/26/191096626.db2.gz JETRRIUEGCGDLG-AWEZNQCLSA-N 2 2 305.426 1.334 50 0 DDAALP CC[NH+]1CCC(Nc2cc(N3CCC[C@H]3CO)nc[nH+]2)CC1 ZINC000072276021 191096629 /nfs/dbraw/zinc/09/66/29/191096629.db2.gz JETRRIUEGCGDLG-AWEZNQCLSA-N 2 2 305.426 1.334 50 0 DDAALP O=C(NCc1ccnc(-n2cc[nH+]c2)c1)C12CCC[NH+]1CCC2 ZINC000253403973 186307367 /nfs/dbraw/zinc/30/73/67/186307367.db2.gz AKQYMMXEEDIVFE-UHFFFAOYSA-N 2 2 311.389 1.512 50 0 DDAALP COc1ccc2[nH]c(CC[NH2+][C@H](C)CN3CCOCC3)[nH+]c2c1 ZINC000584893501 354795101 /nfs/dbraw/zinc/79/51/01/354795101.db2.gz AJGRLNYKWFFFPY-CYBMUJFWSA-N 2 2 318.421 1.424 50 0 DDAALP c1cc2n(n1)C[C@H](C[NH2+]Cc1ccccc1-n1cc[nH+]c1)CN2 ZINC000058299829 184102846 /nfs/dbraw/zinc/10/28/46/184102846.db2.gz JPAFBRLVKHCTIZ-CQSZACIVSA-N 2 2 308.389 1.900 50 0 DDAALP O=C(c1ccc(-n2cc[nH+]c2)nc1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000071839808 406851156 /nfs/dbraw/zinc/85/11/56/406851156.db2.gz WSOBNXZUCMQPPU-OAHLLOKOSA-N 2 2 311.389 1.578 50 0 DDAALP O=C(c1ccc(-n2cc[nH+]c2)nc1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000071839808 406851159 /nfs/dbraw/zinc/85/11/59/406851159.db2.gz WSOBNXZUCMQPPU-OAHLLOKOSA-N 2 2 311.389 1.578 50 0 DDAALP Cc1cccc2nc(C[N@H+](C)CCCn3cc[nH+]c3)cc(=O)n12 ZINC000095984101 407221356 /nfs/dbraw/zinc/22/13/56/407221356.db2.gz MVYLTFRBTKYSDH-UHFFFAOYSA-N 2 2 311.389 1.722 50 0 DDAALP Cc1cccc2nc(C[N@@H+](C)CCCn3cc[nH+]c3)cc(=O)n12 ZINC000095984101 407221357 /nfs/dbraw/zinc/22/13/57/407221357.db2.gz MVYLTFRBTKYSDH-UHFFFAOYSA-N 2 2 311.389 1.722 50 0 DDAALP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000102812985 407327376 /nfs/dbraw/zinc/32/73/76/407327376.db2.gz HRMNGTLQACGHAT-ZSHCYNCHSA-N 2 2 319.836 1.450 50 0 DDAALP CN(Cc1ccccc1)c1[nH+]cccc1CNC(=O)C1([NH3+])CC1 ZINC000067643788 407278327 /nfs/dbraw/zinc/27/83/27/407278327.db2.gz REHRCVCGDMPEPH-UHFFFAOYSA-N 2 2 310.401 1.826 50 0 DDAALP Cc1nc(NC[C@H](C)[NH+]2CCOCC2)cc(C2CC[NH2+]CC2)n1 ZINC000067880356 407289374 /nfs/dbraw/zinc/28/93/74/407289374.db2.gz CUNZUWHBGSDTBI-ZDUSSCGKSA-N 2 2 319.453 1.385 50 0 DDAALP CN(CCC1CCOCC1)c1cc(C2CC([NH3+])C2)[nH+]c(N)n1 ZINC000219626884 407533403 /nfs/dbraw/zinc/53/34/03/407533403.db2.gz PCNCUDMCYORBQG-UHFFFAOYSA-N 2 2 305.426 1.516 50 0 DDAALP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+]Cc3cncnc3)C2)cc1 ZINC000192354741 408578757 /nfs/dbraw/zinc/57/87/57/408578757.db2.gz CRQWJHCXMZRKPJ-GOSISDBHSA-N 2 2 312.417 1.857 50 0 DDAALP Cc1cc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)nc(N(C)C)n1 ZINC000170089684 408820290 /nfs/dbraw/zinc/82/02/90/408820290.db2.gz APTXMTVZNFYDLN-MRXNPFEDSA-N 2 2 313.405 1.899 50 0 DDAALP Cc1cc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)nc(N(C)C)n1 ZINC000170089684 408820291 /nfs/dbraw/zinc/82/02/91/408820291.db2.gz APTXMTVZNFYDLN-MRXNPFEDSA-N 2 2 313.405 1.899 50 0 DDAALP CO[C@]12CC[N@H+](CCCn3cc[nH+]c3)[C@H]1C[C@H](OCCO)CC2 ZINC000299797809 410635545 /nfs/dbraw/zinc/63/55/45/410635545.db2.gz PDBOTJZRUBNEFW-IXDOHACOSA-N 2 2 323.437 1.294 50 0 DDAALP CO[C@]12CC[N@@H+](CCCn3cc[nH+]c3)[C@H]1C[C@H](OCCO)CC2 ZINC000299797809 410635550 /nfs/dbraw/zinc/63/55/50/410635550.db2.gz PDBOTJZRUBNEFW-IXDOHACOSA-N 2 2 323.437 1.294 50 0 DDAALP C[C@@H]1OCC[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)[C@H]1C ZINC000252585694 222247238 /nfs/dbraw/zinc/24/72/38/222247238.db2.gz KIKZHRACJSFHQR-YQQAZPJKSA-N 2 2 319.449 1.515 50 0 DDAALP C[C@@H]1OCC[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)[C@H]1C ZINC000252585694 222247240 /nfs/dbraw/zinc/24/72/40/222247240.db2.gz KIKZHRACJSFHQR-YQQAZPJKSA-N 2 2 319.449 1.515 50 0 DDAALP Cc1[nH+]c2ccccn2c1C[NH+]1CCC2(CC1)C[NH2+]CCO2 ZINC000426439007 419470925 /nfs/dbraw/zinc/47/09/25/419470925.db2.gz RZMYQSLUARGNLJ-UHFFFAOYSA-N 3 2 300.406 1.597 50 0 DDAALP CCCn1cc(CNc2cc(C3CC([NH3+])C3)[nH+]c(N)n2)cn1 ZINC000222634407 484151882 /nfs/dbraw/zinc/15/18/82/484151882.db2.gz IYNRMLWVXPFADN-UHFFFAOYSA-N 2 2 301.398 1.482 50 0 DDAALP CCn1nc(C)c([C@@H](C)NC(=O)C[N@H+](C)C2CC[NH2+]CC2)c1C ZINC000670452376 484839135 /nfs/dbraw/zinc/83/91/35/484839135.db2.gz SOHNQJGWLSCHOI-GFCCVEGCSA-N 2 2 321.469 1.381 50 0 DDAALP CCn1nc(C)c([C@@H](C)NC(=O)C[N@@H+](C)C2CC[NH2+]CC2)c1C ZINC000670452376 484839138 /nfs/dbraw/zinc/83/91/38/484839138.db2.gz SOHNQJGWLSCHOI-GFCCVEGCSA-N 2 2 321.469 1.381 50 0 DDAALP Cc1ccccc1[C@H](C(=O)NCCc1[nH+]ccn1C)[NH+](C)C ZINC000220756963 490698515 /nfs/dbraw/zinc/69/85/15/490698515.db2.gz LDIZUZQUUASUHF-MRXNPFEDSA-N 2 2 300.406 1.690 50 0 DDAALP COc1cc(N2CCC([NH+]3CCSCC3)CC2)nc(N)[nH+]1 ZINC000032581897 696124678 /nfs/dbraw/zinc/12/46/78/696124678.db2.gz VCDPGTWBCNRSHO-UHFFFAOYSA-N 2 2 309.439 1.085 50 0 DDAALP CCOc1ccc(C(=O)N[C@@H]2C[N@H+](C)C[C@H]2C[NH+](C)C)cc1 ZINC000169790620 697346748 /nfs/dbraw/zinc/34/67/48/697346748.db2.gz HMZIESSNMAIIJX-GDBMZVCRSA-N 2 2 305.422 1.307 50 0 DDAALP CCOc1ccc(C(=O)N[C@@H]2C[N@@H+](C)C[C@H]2C[NH+](C)C)cc1 ZINC000169790620 697346750 /nfs/dbraw/zinc/34/67/50/697346750.db2.gz HMZIESSNMAIIJX-GDBMZVCRSA-N 2 2 305.422 1.307 50 0 DDAALP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)c2nnc(C)o2)nc[nH+]1 ZINC000072276619 191098857 /nfs/dbraw/zinc/09/88/57/191098857.db2.gz HATKXZQJMCDCPK-ZYHUDNBSSA-N 2 2 317.397 1.529 50 0 DDAALP Cc1[nH+]ccn1-c1cc(N2CCN(C(=O)C(C)C)CC2)[nH+]cn1 ZINC000072436818 191165423 /nfs/dbraw/zinc/16/54/23/191165423.db2.gz VIWMOSASYQPGJN-UHFFFAOYSA-N 2 2 314.393 1.275 50 0 DDAALP O=C(C[NH+]1CCCC1)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000097104752 353918194 /nfs/dbraw/zinc/91/81/94/353918194.db2.gz SPIBITSAKXLKTG-UHFFFAOYSA-N 2 2 303.406 1.132 50 0 DDAALP COCC[NH+]1[C@H](C)CN(C(=O)[C@@H]([NH3+])c2ccccc2)C[C@H]1C ZINC000252585775 354383851 /nfs/dbraw/zinc/38/38/51/354383851.db2.gz KZOQRNIXCGSPLK-FMKPAKJESA-N 2 2 305.422 1.254 50 0 DDAALP C[N@@H+]1CCC[C@@H]1C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000267546864 206136664 /nfs/dbraw/zinc/13/66/64/206136664.db2.gz BUPIJXRTSPLBMU-MRXNPFEDSA-N 2 2 312.417 1.836 50 0 DDAALP C[N@H+]1CCC[C@@H]1C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000267546864 206136668 /nfs/dbraw/zinc/13/66/68/206136668.db2.gz BUPIJXRTSPLBMU-MRXNPFEDSA-N 2 2 312.417 1.836 50 0 DDAALP C[N@@H+]1CCC[C@H]1C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000267546862 206136903 /nfs/dbraw/zinc/13/69/03/206136903.db2.gz BUPIJXRTSPLBMU-INIZCTEOSA-N 2 2 312.417 1.836 50 0 DDAALP C[N@H+]1CCC[C@H]1C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000267546862 206136909 /nfs/dbraw/zinc/13/69/09/206136909.db2.gz BUPIJXRTSPLBMU-INIZCTEOSA-N 2 2 312.417 1.836 50 0 DDAALP c1cc2n(n1)C[C@H](C[NH2+]Cc1cccc(Cn3cc[nH+]c3)c1)CN2 ZINC000058291746 184101434 /nfs/dbraw/zinc/10/14/34/184101434.db2.gz FTFUWNVMVXMTSL-QGZVFWFLSA-N 2 2 322.416 1.959 50 0 DDAALP CC(C)n1cc[nH+]c1[C@H]1CCC[N@H+](CC(=O)N2CC[NH2+]CC2)C1 ZINC000095379105 257271963 /nfs/dbraw/zinc/27/19/63/257271963.db2.gz VQMUCFMEKLLWJQ-HNNXBMFYSA-N 3 2 319.453 1.075 50 0 DDAALP CC(C)n1cc[nH+]c1[C@H]1CCC[N@@H+](CC(=O)N2CC[NH2+]CC2)C1 ZINC000095379105 257271964 /nfs/dbraw/zinc/27/19/64/257271964.db2.gz VQMUCFMEKLLWJQ-HNNXBMFYSA-N 3 2 319.453 1.075 50 0 DDAALP C[NH+](C)CCC1CCN(c2cc(C3CC([NH3+])C3)[nH+]c(N)n2)CC1 ZINC000222791603 407561731 /nfs/dbraw/zinc/56/17/31/407561731.db2.gz ZYXHBHHHJZLDIB-UHFFFAOYSA-N 3 2 318.469 1.432 50 0 DDAALP COc1c(C)cc(C[NH2+]CC(=O)N2CC[NH+](C)CC2)cc1C ZINC000071837116 406850554 /nfs/dbraw/zinc/85/05/54/406850554.db2.gz DXBQOEVOSZCJDM-UHFFFAOYSA-N 2 2 305.422 1.176 50 0 DDAALP CCc1nnsc1C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1 ZINC000075141164 406925170 /nfs/dbraw/zinc/92/51/70/406925170.db2.gz DOKSHRJHJWFDDT-UHFFFAOYSA-N 2 2 300.347 1.934 50 0 DDAALP CC1CC[NH+](Cc2nc(C(=O)NCC[NH+]3CCCC3)co2)CC1 ZINC000037547436 406990333 /nfs/dbraw/zinc/99/03/33/406990333.db2.gz JPCJXHAPDFJOKM-UHFFFAOYSA-N 2 2 320.437 1.732 50 0 DDAALP C[C@@H]1C[NH+]=C(N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)S1 ZINC000079496565 407056054 /nfs/dbraw/zinc/05/60/54/407056054.db2.gz CSTYDQFTPPGBGT-UKRRQHHQSA-N 2 2 305.447 1.829 50 0 DDAALP CC[C@@H](C(=O)N1CC[NH+]([C@H](C)c2ccccn2)CC1)[NH+](C)C ZINC000095943419 407215867 /nfs/dbraw/zinc/21/58/67/407215867.db2.gz SDLMMNAJJPNOFN-ZBFHGGJFSA-N 2 2 304.438 1.627 50 0 DDAALP C[N@@H+]1CCCNC(=O)C12CC[NH+](Cc1ccc(F)c(F)c1)CC2 ZINC000097744763 407302235 /nfs/dbraw/zinc/30/22/35/407302235.db2.gz LTJGURABTURHNR-UHFFFAOYSA-N 2 2 323.387 1.751 50 0 DDAALP C[N@H+]1CCCNC(=O)C12CC[NH+](Cc1ccc(F)c(F)c1)CC2 ZINC000097744763 407302236 /nfs/dbraw/zinc/30/22/36/407302236.db2.gz LTJGURABTURHNR-UHFFFAOYSA-N 2 2 323.387 1.751 50 0 DDAALP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000108490392 407387094 /nfs/dbraw/zinc/38/70/94/407387094.db2.gz KUTQPQRBWHXYGP-JONQDZQNSA-N 2 2 323.481 1.332 50 0 DDAALP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000108490392 407387095 /nfs/dbraw/zinc/38/70/95/407387095.db2.gz KUTQPQRBWHXYGP-JONQDZQNSA-N 2 2 323.481 1.332 50 0 DDAALP COc1cc(C[NH+]2CC(O)C2)ccc1OCC[NH+]1CCCCC1 ZINC000215555684 407488347 /nfs/dbraw/zinc/48/83/47/407488347.db2.gz GPECLIPCVHVOBL-UHFFFAOYSA-N 2 2 320.433 1.736 50 0 DDAALP CCc1[nH+]ccn1CC(=O)NCCCNc1ccc(C)c[nH+]1 ZINC000244741935 407935090 /nfs/dbraw/zinc/93/50/90/407935090.db2.gz NZJIPQZJEHTJMV-UHFFFAOYSA-N 2 2 301.394 1.767 50 0 DDAALP CCO[C@H]1C[N@H+](C)C[C@@H]1NC(=O)C[NH+](C)Cc1ccccc1F ZINC000244811795 407939023 /nfs/dbraw/zinc/93/90/23/407939023.db2.gz SLKKXMXNOXVIHX-HOTGVXAUSA-N 2 2 323.412 1.093 50 0 DDAALP CCO[C@H]1C[N@@H+](C)C[C@@H]1NC(=O)C[NH+](C)Cc1ccccc1F ZINC000244811795 407939027 /nfs/dbraw/zinc/93/90/27/407939027.db2.gz SLKKXMXNOXVIHX-HOTGVXAUSA-N 2 2 323.412 1.093 50 0 DDAALP CCO[C@H]1C[NH+](C)C[C@@H]1NC(=O)C[N@H+](C)Cc1ccccc1F ZINC000244811795 407939034 /nfs/dbraw/zinc/93/90/34/407939034.db2.gz SLKKXMXNOXVIHX-HOTGVXAUSA-N 2 2 323.412 1.093 50 0 DDAALP CCO[C@H]1C[NH+](C)C[C@@H]1NC(=O)C[N@@H+](C)Cc1ccccc1F ZINC000244811795 407939037 /nfs/dbraw/zinc/93/90/37/407939037.db2.gz SLKKXMXNOXVIHX-HOTGVXAUSA-N 2 2 323.412 1.093 50 0 DDAALP CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCC[C@H]2n2cc[nH+]c2)C1 ZINC000252512782 408803888 /nfs/dbraw/zinc/80/38/88/408803888.db2.gz VNTPSWWYDCOCES-HRCADAONSA-N 2 2 319.453 1.960 50 0 DDAALP CC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCC[C@H]2n2cc[nH+]c2)C1 ZINC000252512782 408803892 /nfs/dbraw/zinc/80/38/92/408803892.db2.gz VNTPSWWYDCOCES-HRCADAONSA-N 2 2 319.453 1.960 50 0 DDAALP CN(C)c1cc(CNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc[nH+]1 ZINC000048354901 418470803 /nfs/dbraw/zinc/47/08/03/418470803.db2.gz SGGPHXCMLCHEKZ-HUUCEWRRSA-N 2 2 317.437 1.574 50 0 DDAALP CN(C)c1cc(CNC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)cc[nH+]1 ZINC000048354901 418470806 /nfs/dbraw/zinc/47/08/06/418470806.db2.gz SGGPHXCMLCHEKZ-HUUCEWRRSA-N 2 2 317.437 1.574 50 0 DDAALP Cc1cc(N2CC[NH+]([C@@H]3Cc4ccccc4[C@@H]3O)CC2)nc(C)[nH+]1 ZINC000097034105 185399971 /nfs/dbraw/zinc/39/99/71/185399971.db2.gz LCNKWSNNNBUYSI-MJGOQNOKSA-N 2 2 324.428 1.874 50 0 DDAALP CC(C)Cn1cc[nH+]c1CNC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000074535767 353318629 /nfs/dbraw/zinc/31/86/29/353318629.db2.gz GOJZXGNRGBEFPH-OAHLLOKOSA-N 2 2 319.453 1.919 50 0 DDAALP NC(=O)c1noc2c1C[N@H+](C[C@@H]1CCC[NH+]3CCCC[C@H]13)CC2 ZINC000072476189 283396038 /nfs/dbraw/zinc/39/60/38/283396038.db2.gz MGJPMZXUZSGSIC-GXTWGEPZSA-N 2 2 318.421 1.396 50 0 DDAALP NC(=O)c1noc2c1C[N@@H+](C[C@@H]1CCC[NH+]3CCCC[C@H]13)CC2 ZINC000072476189 283396044 /nfs/dbraw/zinc/39/60/44/283396044.db2.gz MGJPMZXUZSGSIC-GXTWGEPZSA-N 2 2 318.421 1.396 50 0 DDAALP NC(=O)c1noc2c1C[NH+](C[C@@H]1CCC[N@@H+]3CCCC[C@H]13)CC2 ZINC000072476189 283396050 /nfs/dbraw/zinc/39/60/50/283396050.db2.gz MGJPMZXUZSGSIC-GXTWGEPZSA-N 2 2 318.421 1.396 50 0 DDAALP NC(=O)c1noc2c1C[NH+](C[C@@H]1CCC[N@H+]3CCCC[C@H]13)CC2 ZINC000072476189 283396053 /nfs/dbraw/zinc/39/60/53/283396053.db2.gz MGJPMZXUZSGSIC-GXTWGEPZSA-N 2 2 318.421 1.396 50 0 DDAALP CC[N@H+](C)C[C@@H]1C[NH+](Cc2cc(F)ccc2OC)C[C@@H]1CO ZINC000091896646 193124158 /nfs/dbraw/zinc/12/41/58/193124158.db2.gz WMIHVEWSTYVNEW-HUUCEWRRSA-N 2 2 310.413 1.826 50 0 DDAALP CC[N@@H+](C)C[C@@H]1C[NH+](Cc2cc(F)ccc2OC)C[C@@H]1CO ZINC000091896646 193124160 /nfs/dbraw/zinc/12/41/60/193124160.db2.gz WMIHVEWSTYVNEW-HUUCEWRRSA-N 2 2 310.413 1.826 50 0 DDAALP CC[NH+](C)C[C@@H]1C[N@H+](Cc2cc(F)ccc2OC)C[C@@H]1CO ZINC000091896646 193124162 /nfs/dbraw/zinc/12/41/62/193124162.db2.gz WMIHVEWSTYVNEW-HUUCEWRRSA-N 2 2 310.413 1.826 50 0 DDAALP CC[NH+](C)C[C@@H]1C[N@@H+](Cc2cc(F)ccc2OC)C[C@@H]1CO ZINC000091896646 193124163 /nfs/dbraw/zinc/12/41/63/193124163.db2.gz WMIHVEWSTYVNEW-HUUCEWRRSA-N 2 2 310.413 1.826 50 0 DDAALP C[NH+]1CCC(NC(=O)c2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000065364561 184328889 /nfs/dbraw/zinc/32/88/89/184328889.db2.gz YGCVRUYXVUKWLD-UHFFFAOYSA-N 2 2 317.433 1.343 50 0 DDAALP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NC1CCCCC1 ZINC000069599831 406743076 /nfs/dbraw/zinc/74/30/76/406743076.db2.gz REFRYXJAVUGVFQ-UHFFFAOYSA-N 2 2 310.486 1.987 50 0 DDAALP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NC1CCCCC1 ZINC000069599831 406743079 /nfs/dbraw/zinc/74/30/79/406743079.db2.gz REFRYXJAVUGVFQ-UHFFFAOYSA-N 2 2 310.486 1.987 50 0 DDAALP CC[NH+](CC)Cc1ccc(C(=O)N2CC[NH+](C[C@H](C)O)CC2)o1 ZINC000069952203 406797111 /nfs/dbraw/zinc/79/71/11/406797111.db2.gz QJTLNPYCYVCXHE-AWEZNQCLSA-N 2 2 323.437 1.260 50 0 DDAALP O=C1C[C@@H]([NH2+]Cc2c[nH+]c[nH]2)CN1CCc1cccc(Cl)c1 ZINC000012316258 406841258 /nfs/dbraw/zinc/84/12/58/406841258.db2.gz PQCQHBTYJXJSQB-CQSZACIVSA-N 2 2 318.808 1.996 50 0 DDAALP [NH3+]CC[C@@H]1C[N@H+](Cc2cc(=O)c3cccc(F)c3[nH]2)CCO1 ZINC000091254566 407181419 /nfs/dbraw/zinc/18/14/19/407181419.db2.gz ITHDMLOKHPUFQM-GFCCVEGCSA-N 2 2 305.353 1.217 50 0 DDAALP [NH3+]CC[C@@H]1C[N@@H+](Cc2cc(=O)c3cccc(F)c3[nH]2)CCO1 ZINC000091254566 407181422 /nfs/dbraw/zinc/18/14/22/407181422.db2.gz ITHDMLOKHPUFQM-GFCCVEGCSA-N 2 2 305.353 1.217 50 0 DDAALP C[NH+]1CCC2(CC1)CN(C(=O)C[C@H]1CCCC1=O)CCC[N@@H+]2C ZINC000067713738 407281746 /nfs/dbraw/zinc/28/17/46/407281746.db2.gz AXPGHQJYILDNNV-OAHLLOKOSA-N 2 2 321.465 1.374 50 0 DDAALP C[NH+]1CCC2(CC1)CN(C(=O)C[C@H]1CCCC1=O)CCC[N@H+]2C ZINC000067713738 407281749 /nfs/dbraw/zinc/28/17/49/407281749.db2.gz AXPGHQJYILDNNV-OAHLLOKOSA-N 2 2 321.465 1.374 50 0 DDAALP C[NH+]1CCC([NH2+][C@@H]2COCC[C@H]2Oc2ccc(CO)cc2)CC1 ZINC000219681227 407531414 /nfs/dbraw/zinc/53/14/14/407531414.db2.gz YMOKYNOFZHCMGW-QZTJIDSGSA-N 2 2 320.433 1.399 50 0 DDAALP Cc1ncsc1CC[N@@H+](C)Cc1nnc([C@H]2C[C@H]([NH3+])C2)n1C ZINC000244748727 407938021 /nfs/dbraw/zinc/93/80/21/407938021.db2.gz ONFGCSCKSLCBDA-HAQNSBGRSA-N 2 2 320.466 1.459 50 0 DDAALP Cc1ncsc1CC[N@H+](C)Cc1nnc([C@H]2C[C@H]([NH3+])C2)n1C ZINC000244748727 407938025 /nfs/dbraw/zinc/93/80/25/407938025.db2.gz ONFGCSCKSLCBDA-HAQNSBGRSA-N 2 2 320.466 1.459 50 0 DDAALP CO[C@H]1C[NH+](C[C@H](O)C[N@@H+]2CC[C@@H](C)[C@H](OC)C2)CC[C@@H]1C ZINC000248734696 408626601 /nfs/dbraw/zinc/62/66/01/408626601.db2.gz MKRAFFRSKJUYER-XABIJQAGSA-N 2 2 314.470 1.061 50 0 DDAALP CO[C@H]1C[NH+](C[C@H](O)C[N@H+]2CC[C@@H](C)[C@H](OC)C2)CC[C@@H]1C ZINC000248734696 408626606 /nfs/dbraw/zinc/62/66/06/408626606.db2.gz MKRAFFRSKJUYER-XABIJQAGSA-N 2 2 314.470 1.061 50 0 DDAALP CO[C@H]1C[N@H+](C[C@H](O)C[NH+]2CC[C@@H](C)[C@H](OC)C2)CC[C@@H]1C ZINC000248734696 408626613 /nfs/dbraw/zinc/62/66/13/408626613.db2.gz MKRAFFRSKJUYER-XABIJQAGSA-N 2 2 314.470 1.061 50 0 DDAALP CO[C@H]1C[N@@H+](C[C@H](O)C[NH+]2CC[C@@H](C)[C@H](OC)C2)CC[C@@H]1C ZINC000248734696 408626619 /nfs/dbraw/zinc/62/66/19/408626619.db2.gz MKRAFFRSKJUYER-XABIJQAGSA-N 2 2 314.470 1.061 50 0 DDAALP COCC[N@H+](C)C[C@@H](O)C[NH+](C)CCCOc1ccccc1 ZINC000408518851 418807016 /nfs/dbraw/zinc/80/70/16/418807016.db2.gz FNDBDMGKARTKFE-INIZCTEOSA-N 2 2 310.438 1.326 50 0 DDAALP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)CCCOc1ccccc1 ZINC000408518851 418807018 /nfs/dbraw/zinc/80/70/18/418807018.db2.gz FNDBDMGKARTKFE-INIZCTEOSA-N 2 2 310.438 1.326 50 0 DDAALP COCC[NH+](C)C[C@@H](O)C[N@H+](C)CCCOc1ccccc1 ZINC000408518851 418807020 /nfs/dbraw/zinc/80/70/20/418807020.db2.gz FNDBDMGKARTKFE-INIZCTEOSA-N 2 2 310.438 1.326 50 0 DDAALP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)CCCOc1ccccc1 ZINC000408518851 418807022 /nfs/dbraw/zinc/80/70/22/418807022.db2.gz FNDBDMGKARTKFE-INIZCTEOSA-N 2 2 310.438 1.326 50 0 DDAALP Cn1c[nH+]cc1/C=C\C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000606445236 422460128 /nfs/dbraw/zinc/46/01/28/422460128.db2.gz HDXMODXKTYPFGU-HYXAFXHYSA-N 2 2 300.337 1.857 50 0 DDAALP COCCn1c[nH+]cc1CNC(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000534593143 334295017 /nfs/dbraw/zinc/29/50/17/334295017.db2.gz QJBZRTSZMQIUTH-AWEZNQCLSA-N 2 2 323.441 1.155 50 0 DDAALP COCCn1cc[nH+]c1CN1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000222740234 484152644 /nfs/dbraw/zinc/15/26/44/484152644.db2.gz NBLSTGZDNMEGNR-MRXNPFEDSA-N 2 2 300.406 1.676 50 0 DDAALP COCCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH+](C)C ZINC000169790671 697346769 /nfs/dbraw/zinc/34/67/69/697346769.db2.gz QXFRLZLCWGVQBL-IAGOWNOFSA-N 2 2 319.449 1.201 50 0 DDAALP COCCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH+](C)C ZINC000169790671 697346771 /nfs/dbraw/zinc/34/67/71/697346771.db2.gz QXFRLZLCWGVQBL-IAGOWNOFSA-N 2 2 319.449 1.201 50 0 DDAALP C[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccc4nccn4n3)CC2)C1 ZINC000299775649 698599325 /nfs/dbraw/zinc/59/93/25/698599325.db2.gz GHUIIQZLUDWUCC-OAHLLOKOSA-N 2 2 314.437 1.193 50 0 DDAALP C[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccc4nccn4n3)CC2)C1 ZINC000299775649 698599329 /nfs/dbraw/zinc/59/93/29/698599329.db2.gz GHUIIQZLUDWUCC-OAHLLOKOSA-N 2 2 314.437 1.193 50 0 DDAALP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3cn(C)nn3)CC2)C[C@H](C)O1 ZINC000095445416 185367400 /nfs/dbraw/zinc/36/74/00/185367400.db2.gz RNHWHVJEMWHHKJ-OKILXGFUSA-N 2 2 307.442 1.136 50 0 DDAALP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3cn(C)nn3)CC2)C[C@H](C)O1 ZINC000095445416 185367401 /nfs/dbraw/zinc/36/74/01/185367401.db2.gz RNHWHVJEMWHHKJ-OKILXGFUSA-N 2 2 307.442 1.136 50 0 DDAALP Cc1nc(N2CCC3(CC2)c2ccccc2[C@@H]([NH3+])[C@@H]3O)cc[nH+]1 ZINC000072141944 191049680 /nfs/dbraw/zinc/04/96/80/191049680.db2.gz JACBLZGHPYCOQC-SJORKVTESA-N 2 2 310.401 1.698 50 0 DDAALP COCC[N@@H+]1CCC[C@H](NC(=O)c2ccc3[nH+]ccn3c2)C1 ZINC000068431046 353111568 /nfs/dbraw/zinc/11/15/68/353111568.db2.gz WTUDYKVQPBLYEM-AWEZNQCLSA-N 2 2 302.378 1.175 50 0 DDAALP COCC[N@H+]1CCC[C@H](NC(=O)c2ccc3[nH+]ccn3c2)C1 ZINC000068431046 353111571 /nfs/dbraw/zinc/11/15/71/353111571.db2.gz WTUDYKVQPBLYEM-AWEZNQCLSA-N 2 2 302.378 1.175 50 0 DDAALP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)[C@@H]([NH3+])c2ccccc2)C1 ZINC000195554374 354297017 /nfs/dbraw/zinc/29/70/17/354297017.db2.gz ZXGLIGPMDNJSMF-YOEHRIQHSA-N 2 2 312.417 1.901 50 0 DDAALP CCOC(=O)[C@H](C)[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000195529842 201398204 /nfs/dbraw/zinc/39/82/04/201398204.db2.gz RHBZCJUYFHCDHW-KKUMJFAQSA-N 2 2 312.454 1.759 50 0 DDAALP CSCC(=O)N1CCC(c2[nH+]ccn2CC[NH+](C)C)CC1 ZINC000091678692 193090253 /nfs/dbraw/zinc/09/02/53/193090253.db2.gz JSTUHZIGDBDORX-UHFFFAOYSA-N 2 2 310.467 1.514 50 0 DDAALP Cc1nc(N2CC[C@H]([NH+]3CCOCC3)[C@H](CCCO)C2)cc[nH+]1 ZINC000091943388 193129672 /nfs/dbraw/zinc/12/96/72/193129672.db2.gz AFLRNOZLFGMMLH-CVEARBPZSA-N 2 2 320.437 1.085 50 0 DDAALP Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000020454473 182219197 /nfs/dbraw/zinc/21/91/97/182219197.db2.gz XROHWKNHMFFOPS-MRXNPFEDSA-N 2 2 316.449 1.678 50 0 DDAALP Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000020454473 182219200 /nfs/dbraw/zinc/21/92/00/182219200.db2.gz XROHWKNHMFFOPS-MRXNPFEDSA-N 2 2 316.449 1.678 50 0 DDAALP CC(C)[C@@H](C(=O)N[C@@H]1CC[NH+](C2CC2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000057555070 184041871 /nfs/dbraw/zinc/04/18/71/184041871.db2.gz ANJSUUQJTATAKW-DLTWYDFYSA-N 2 2 323.481 1.473 50 0 DDAALP CC(C)[C@@H](C(=O)N[C@@H]1CC[NH+](C2CC2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000057555070 184041874 /nfs/dbraw/zinc/04/18/74/184041874.db2.gz ANJSUUQJTATAKW-DLTWYDFYSA-N 2 2 323.481 1.473 50 0 DDAALP CC(C)[C@@H](C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000057555070 184041875 /nfs/dbraw/zinc/04/18/75/184041875.db2.gz ANJSUUQJTATAKW-DLTWYDFYSA-N 2 2 323.481 1.473 50 0 DDAALP CC(C)[C@@H](C(=O)N[C@@H]1CC[N@H+](C2CC2)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000057555070 184041877 /nfs/dbraw/zinc/04/18/77/184041877.db2.gz ANJSUUQJTATAKW-DLTWYDFYSA-N 2 2 323.481 1.473 50 0 DDAALP O=C(NCCc1c[nH+]c[nH]1)C1CC[NH+](Cc2ccco2)CC1 ZINC000065500296 184355213 /nfs/dbraw/zinc/35/52/13/184355213.db2.gz KNHZJSTVMZNONG-UHFFFAOYSA-N 2 2 302.378 1.574 50 0 DDAALP O=C(NCCc1c[nH]c[nH+]1)C1CC[NH+](Cc2ccco2)CC1 ZINC000065500296 184355214 /nfs/dbraw/zinc/35/52/14/184355214.db2.gz KNHZJSTVMZNONG-UHFFFAOYSA-N 2 2 302.378 1.574 50 0 DDAALP CC(C)c1nc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)no1 ZINC000069947327 406794097 /nfs/dbraw/zinc/79/40/97/406794097.db2.gz REVYGFPZWYLNKH-CYBMUJFWSA-N 2 2 310.442 1.718 50 0 DDAALP CC(C)c1nc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)no1 ZINC000069947327 406794103 /nfs/dbraw/zinc/79/41/03/406794103.db2.gz REVYGFPZWYLNKH-CYBMUJFWSA-N 2 2 310.442 1.718 50 0 DDAALP C[C@@H](Cn1cccn1)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000071877176 406859506 /nfs/dbraw/zinc/85/95/06/406859506.db2.gz IENVCDXVNNQILO-MAUKXSAKSA-N 2 2 314.433 1.280 50 0 DDAALP C[C@@H](Cn1cccn1)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000071877176 406859509 /nfs/dbraw/zinc/85/95/09/406859509.db2.gz IENVCDXVNNQILO-MAUKXSAKSA-N 2 2 314.433 1.280 50 0 DDAALP C[C@H](Cn1cc[nH+]c1)NC(=O)NCc1ccc[nH+]c1N(C)C ZINC000049160192 407117021 /nfs/dbraw/zinc/11/70/21/407117021.db2.gz PCEMQSSQEGCOAW-GFCCVEGCSA-N 2 2 302.382 1.232 50 0 DDAALP Cc1cc(N2CCC[C@H](Cn3cc[nH+]c3)C2)nc(N(C)C)[nH+]1 ZINC000065374324 407243689 /nfs/dbraw/zinc/24/36/89/407243689.db2.gz DEFHNUSQYDLWHA-CQSZACIVSA-N 2 2 300.410 1.964 50 0 DDAALP Cc1nc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)cs1 ZINC000065613438 407245692 /nfs/dbraw/zinc/24/56/92/407245692.db2.gz HVZUCIQFJFOOGG-UHFFFAOYSA-N 2 2 317.462 1.888 50 0 DDAALP COC(=O)c1cc(C[NH2+][C@H]2CCc3[nH+]c(C)cn3C2)oc1C ZINC000097034405 407276109 /nfs/dbraw/zinc/27/61/09/407276109.db2.gz GGFAHXBZARIGRX-LBPRGKRZSA-N 2 2 303.362 1.984 50 0 DDAALP CC(C)C[NH+]1CCC(C(=O)N[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000097197575 407285624 /nfs/dbraw/zinc/28/56/24/407285624.db2.gz QGEQCMSBERNAKZ-HNNXBMFYSA-N 2 2 304.438 1.682 50 0 DDAALP Cc1ccc(NC[C@@H]2CC[N@H+](CC(=O)Nc3ccon3)C2)[nH+]c1 ZINC000097200789 407286784 /nfs/dbraw/zinc/28/67/84/407286784.db2.gz IASDJWSIHGUOMQ-ZDUSSCGKSA-N 2 2 315.377 1.751 50 0 DDAALP Cc1ccc(NC[C@@H]2CC[N@@H+](CC(=O)Nc3ccon3)C2)[nH+]c1 ZINC000097200789 407286786 /nfs/dbraw/zinc/28/67/86/407286786.db2.gz IASDJWSIHGUOMQ-ZDUSSCGKSA-N 2 2 315.377 1.751 50 0 DDAALP COCCn1c[nH+]cc1CN1CC[NH+](C2CCCCC2)CC1 ZINC000244724041 407934438 /nfs/dbraw/zinc/93/44/38/407934438.db2.gz MMKSBUDDMMBNTP-UHFFFAOYSA-N 2 2 306.454 1.980 50 0 DDAALP COc1ccccc1CCNC(=O)C[N@H+]1C[C@H]2CC[C@@H](C1)[C@H]2[NH3+] ZINC000244828497 407940998 /nfs/dbraw/zinc/94/09/98/407940998.db2.gz TXBDTFNNSKBQKW-HWWDLCQESA-N 2 2 317.433 1.023 50 0 DDAALP COc1ccccc1CCNC(=O)C[N@@H+]1C[C@H]2CC[C@@H](C1)[C@H]2[NH3+] ZINC000244828497 407941007 /nfs/dbraw/zinc/94/10/07/407941007.db2.gz TXBDTFNNSKBQKW-HWWDLCQESA-N 2 2 317.433 1.023 50 0 DDAALP CC(C)c1[nH]c2ccc(NC(=O)N[C@@H]3C[NH2+]CC[C@H]3O)cc2[nH+]1 ZINC000426479023 419481916 /nfs/dbraw/zinc/48/19/16/419481916.db2.gz RYLWKKVBTQLVEM-ZIAGYGMSSA-N 2 2 317.393 1.531 50 0 DDAALP CCc1[nH+]ccn1CCC(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000011664345 696046740 /nfs/dbraw/zinc/04/67/40/696046740.db2.gz GNSWDOHLFLSOET-HNNXBMFYSA-N 2 2 320.437 1.159 50 0 DDAALP CC[NH+]1CCN(C2CC[NH+](C[C@@H]3CCC[N@H+](CC)C3)CC2)CC1 ZINC000020385091 696069943 /nfs/dbraw/zinc/06/99/43/696069943.db2.gz MAWFPRXYSPNXHU-GOSISDBHSA-N 3 2 322.541 1.820 50 0 DDAALP CC[NH+]1CCN(C2CC[NH+](C[C@@H]3CCC[N@@H+](CC)C3)CC2)CC1 ZINC000020385091 696069946 /nfs/dbraw/zinc/06/99/46/696069946.db2.gz MAWFPRXYSPNXHU-GOSISDBHSA-N 3 2 322.541 1.820 50 0 DDAALP O=C(NC[C@@H]1C[NH2+]Cc2ccccc21)[C@@H]1CCn2cc[nH+]c2C1 ZINC000888101002 709213668 /nfs/dbraw/zinc/21/36/68/709213668.db2.gz NGGHJTXUMDRAIZ-HIFRSBDPSA-N 2 2 310.401 1.449 50 0 DDAALP CCCOCC[NH+]1CCN(C(=O)C[NH+]2CCCCCC2)CC1 ZINC000952977008 721530848 /nfs/dbraw/zinc/53/08/48/721530848.db2.gz IMGXMMDGFVGXJA-UHFFFAOYSA-N 2 2 311.470 1.433 50 0 DDAALP C[NH2+]C[C@@H]1CCN(C(=O)/C=C\c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000255423592 282256675 /nfs/dbraw/zinc/25/66/75/282256675.db2.gz WRIIQPKWKKMDPD-OUOZUETKSA-N 2 2 310.401 1.953 50 0 DDAALP C[C@H](CCC(=O)NCc1c[nH+]cn1C1CC1)[NH+]1CCOCC1 ZINC000584887402 354790485 /nfs/dbraw/zinc/79/04/85/354790485.db2.gz LYKJCHWTSMVHRV-CYBMUJFWSA-N 2 2 306.410 1.335 50 0 DDAALP COCC1(CNC(=O)[C@@H]2CCC[N@@H+]2C2CC[NH2+]CC2)CCCC1 ZINC000584884650 354788776 /nfs/dbraw/zinc/78/87/76/354788776.db2.gz YHMMSRNPALVKKW-INIZCTEOSA-N 2 2 323.481 1.526 50 0 DDAALP COCC1(CNC(=O)[C@@H]2CCC[N@H+]2C2CC[NH2+]CC2)CCCC1 ZINC000584884650 354788778 /nfs/dbraw/zinc/78/87/78/354788778.db2.gz YHMMSRNPALVKKW-INIZCTEOSA-N 2 2 323.481 1.526 50 0 DDAALP C[NH+](C)C1(C(=O)NCCCn2cc[nH+]c2)Cc2ccccc2C1 ZINC000072149520 406873514 /nfs/dbraw/zinc/87/35/14/406873514.db2.gz QRDVHIVTJPWHJV-UHFFFAOYSA-N 2 2 312.417 1.489 50 0 DDAALP Cn1cc[nH+]c1[C@H](Nc1nc(N)nc2c1CC[NH2+]CC2)C1CC1 ZINC000072447947 406883488 /nfs/dbraw/zinc/88/34/88/406883488.db2.gz FSCCFKJOOAHUCX-CYBMUJFWSA-N 2 2 313.409 1.044 50 0 DDAALP Cc1cc(Br)cn2c(CN3CC[NH2+]CC3)c[nH+]c12 ZINC000036291667 406977880 /nfs/dbraw/zinc/97/78/80/406977880.db2.gz MXEQMAFPUWHPHK-UHFFFAOYSA-N 2 2 309.211 1.810 50 0 DDAALP O=C1NC2(CC[NH2+]CC2)C(=O)N1Cc1c[nH+]cn1C1CCCC1 ZINC000077422318 406990602 /nfs/dbraw/zinc/99/06/02/406990602.db2.gz JVXFNMVGVBYDQN-UHFFFAOYSA-N 2 2 317.393 1.172 50 0 DDAALP O=C(C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)Nc1nccs1 ZINC000097200629 407286956 /nfs/dbraw/zinc/28/69/56/407286956.db2.gz JVCJQUDXOPSCLT-LBPRGKRZSA-N 2 2 317.418 1.911 50 0 DDAALP O=C(C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)Nc1nccs1 ZINC000097200629 407286959 /nfs/dbraw/zinc/28/69/59/407286959.db2.gz JVCJQUDXOPSCLT-LBPRGKRZSA-N 2 2 317.418 1.911 50 0 DDAALP O=C(NCc1cc2n(n1)CC[NH2+]C2)c1cccc(-c2[nH]cc[nH+]2)c1 ZINC000097334341 407291405 /nfs/dbraw/zinc/29/14/05/407291405.db2.gz XYUBTJTYEBKROU-UHFFFAOYSA-N 2 2 322.372 1.306 50 0 DDAALP Cc1nc(N2CC([NH+]3CCCCC3)C2)cc(C2CC(O)C2)[nH+]1 ZINC000220352703 407540727 /nfs/dbraw/zinc/54/07/27/407540727.db2.gz XSPJSWPPHRGMCT-UHFFFAOYSA-N 2 2 302.422 1.698 50 0 DDAALP CC(C)[C@H]([NH3+])C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000236726158 407761715 /nfs/dbraw/zinc/76/17/15/407761715.db2.gz UBXNGFYTQKADTJ-INIZCTEOSA-N 2 2 305.422 1.193 50 0 DDAALP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)C1([NH+]2CCOCC2)CCCC1 ZINC000118879845 418502325 /nfs/dbraw/zinc/50/23/25/418502325.db2.gz QFCOUJADUFINAO-OAHLLOKOSA-N 2 2 321.465 1.232 50 0 DDAALP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)C1([NH+]2CCOCC2)CCCC1 ZINC000118879845 418502330 /nfs/dbraw/zinc/50/23/30/418502330.db2.gz QFCOUJADUFINAO-OAHLLOKOSA-N 2 2 321.465 1.232 50 0 DDAALP C[N@@H+]1CCO[C@@H](C(=O)Nc2ccccc2Nc2cc[nH+]cc2)C1 ZINC000408516159 418806811 /nfs/dbraw/zinc/80/68/11/418806811.db2.gz UZLVFQHCBQSAMM-MRXNPFEDSA-N 2 2 312.373 1.516 50 0 DDAALP C[N@H+]1CCO[C@@H](C(=O)Nc2ccccc2Nc2cc[nH+]cc2)C1 ZINC000408516159 418806814 /nfs/dbraw/zinc/80/68/14/418806814.db2.gz UZLVFQHCBQSAMM-MRXNPFEDSA-N 2 2 312.373 1.516 50 0 DDAALP Cc1nc(N2CCN(c3ccc(N)[nH+]c3)CC2)c2c([nH+]1)CCCC2 ZINC000267977502 282009962 /nfs/dbraw/zinc/00/99/62/282009962.db2.gz OIKFOICRLVRBGZ-UHFFFAOYSA-N 2 2 324.432 1.968 50 0 DDAALP Cc1ncc(CO)c(C[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)c1O ZINC000322518249 698735404 /nfs/dbraw/zinc/73/54/04/698735404.db2.gz RWJJGYAOGPKDET-OAHLLOKOSA-N 2 2 318.421 1.989 50 0 DDAALP Cc1cc(N2CCN(c3ccc(N)[nH+]c3)CC2)nc(C2CC2)[nH+]1 ZINC000097002137 185396446 /nfs/dbraw/zinc/39/64/46/185396446.db2.gz BRVPUFPFMIYFHW-UHFFFAOYSA-N 2 2 310.405 1.966 50 0 DDAALP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)[C@H]([NH3+])c2ccccc2)C1 ZINC000195554376 354297050 /nfs/dbraw/zinc/29/70/50/354297050.db2.gz ZXGLIGPMDNJSMF-WMLDXEAASA-N 2 2 312.417 1.901 50 0 DDAALP C[N@H+](CC(=O)N1[C@@H]2CC[C@H]1C[NH+](C)CC2)Cc1ccc(F)cc1 ZINC000584897885 354798106 /nfs/dbraw/zinc/79/81/06/354798106.db2.gz XRUQAIQRKIWUMI-SJORKVTESA-N 2 2 319.424 1.953 50 0 DDAALP C[N@@H+](CC(=O)N1[C@@H]2CC[C@H]1C[NH+](C)CC2)Cc1ccc(F)cc1 ZINC000584897885 354798107 /nfs/dbraw/zinc/79/81/07/354798107.db2.gz XRUQAIQRKIWUMI-SJORKVTESA-N 2 2 319.424 1.953 50 0 DDAALP C[NH+](CC(=O)N1[C@@H]2CC[C@H]1C[N@H+](C)CC2)Cc1ccc(F)cc1 ZINC000584897885 354798109 /nfs/dbraw/zinc/79/81/09/354798109.db2.gz XRUQAIQRKIWUMI-SJORKVTESA-N 2 2 319.424 1.953 50 0 DDAALP C[NH+](CC(=O)N1[C@@H]2CC[C@H]1C[N@@H+](C)CC2)Cc1ccc(F)cc1 ZINC000584897885 354798110 /nfs/dbraw/zinc/79/81/10/354798110.db2.gz XRUQAIQRKIWUMI-SJORKVTESA-N 2 2 319.424 1.953 50 0 DDAALP O=C(Cn1cc[nH+]c1)N1CC[NH+](C[C@H]2C[C@@H]3C=C[C@H]2C3)CC1 ZINC000020778398 182247042 /nfs/dbraw/zinc/24/70/42/182247042.db2.gz SDPUILYBEIMTGA-OWCLPIDISA-N 2 2 300.406 1.240 50 0 DDAALP O=C(NCCn1cc[nH+]c1)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000065553353 184365509 /nfs/dbraw/zinc/36/55/09/184365509.db2.gz YOQQBGLEQXJCPQ-CQSZACIVSA-N 2 2 317.393 1.612 50 0 DDAALP C[NH+]1CCC([N@@H+]2CCC[C@@H](NC(=O)c3ccccc3)C2)CC1 ZINC000011772204 406830943 /nfs/dbraw/zinc/83/09/43/406830943.db2.gz CQKCSXGZLYNDMX-MRXNPFEDSA-N 2 2 301.434 1.975 50 0 DDAALP C[NH+]1CCC([N@H+]2CCC[C@@H](NC(=O)c3ccccc3)C2)CC1 ZINC000011772204 406830947 /nfs/dbraw/zinc/83/09/47/406830947.db2.gz CQKCSXGZLYNDMX-MRXNPFEDSA-N 2 2 301.434 1.975 50 0 DDAALP Cc1nc(N2CCN(C3CC[NH+](C)CC3)CC2)c2c([nH+]1)CCC2 ZINC000075876871 406944997 /nfs/dbraw/zinc/94/49/97/406944997.db2.gz JUSJKSJAENUITA-UHFFFAOYSA-N 2 2 315.465 1.490 50 0 DDAALP C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000053810024 407173156 /nfs/dbraw/zinc/17/31/56/407173156.db2.gz WTBHVKYONNMOFW-AWEZNQCLSA-N 2 2 313.405 1.872 50 0 DDAALP C[C@H]1CCCC[N@H+]1CCNC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000053810024 407173160 /nfs/dbraw/zinc/17/31/60/407173160.db2.gz WTBHVKYONNMOFW-AWEZNQCLSA-N 2 2 313.405 1.872 50 0 DDAALP COc1cc(N2CCC[N@H+](Cc3cccnc3)CC2)nc(N)[nH+]1 ZINC000096139671 407240631 /nfs/dbraw/zinc/24/06/31/407240631.db2.gz RDZNFQGJEZHUCU-UHFFFAOYSA-N 2 2 314.393 1.175 50 0 DDAALP COc1cc(N2CCC[N@@H+](Cc3cccnc3)CC2)nc(N)[nH+]1 ZINC000096139671 407240633 /nfs/dbraw/zinc/24/06/33/407240633.db2.gz RDZNFQGJEZHUCU-UHFFFAOYSA-N 2 2 314.393 1.175 50 0 DDAALP CCC[N@@H+]1CCC[C@@H](Nc2cc(N3CCOCC3)[nH+]c(N)n2)C1 ZINC000065507838 407244065 /nfs/dbraw/zinc/24/40/65/407244065.db2.gz HJZGPKZUMZIYJN-CYBMUJFWSA-N 2 2 320.441 1.182 50 0 DDAALP CCC[N@H+]1CCC[C@@H](Nc2cc(N3CCOCC3)[nH+]c(N)n2)C1 ZINC000065507838 407244066 /nfs/dbraw/zinc/24/40/66/407244066.db2.gz HJZGPKZUMZIYJN-CYBMUJFWSA-N 2 2 320.441 1.182 50 0 DDAALP CC(=O)N1CCC([NH+]2CCN(c3cc[nH+]cc3F)CC2)CC1 ZINC000067921744 407290386 /nfs/dbraw/zinc/29/03/86/407290386.db2.gz DIKRBYSZTOOGGZ-UHFFFAOYSA-N 2 2 306.385 1.354 50 0 DDAALP C[NH+](C)Cc1csc(C[N@@H+]2CCc3n[nH]c(CO)c3C2)c1 ZINC000215139093 407481057 /nfs/dbraw/zinc/48/10/57/407481057.db2.gz VUNLYUMIOWKHBG-UHFFFAOYSA-N 2 2 306.435 1.583 50 0 DDAALP C[NH+](C)Cc1csc(C[N@H+]2CCc3n[nH]c(CO)c3C2)c1 ZINC000215139093 407481068 /nfs/dbraw/zinc/48/10/68/407481068.db2.gz VUNLYUMIOWKHBG-UHFFFAOYSA-N 2 2 306.435 1.583 50 0 DDAALP Cc1[nH+]ccn1CCC[NH+]1CCN(c2cc(C)[nH+]c(N)n2)CC1 ZINC000244774091 407938762 /nfs/dbraw/zinc/93/87/62/407938762.db2.gz PNTRZFVUHYRXGF-UHFFFAOYSA-N 3 2 315.425 1.084 50 0 DDAALP CNC(=O)[C@@H]1C[C@H]([NH3+])C[N@@H+]1CC(c1ccccc1)c1ccccc1 ZINC000299759288 410607640 /nfs/dbraw/zinc/60/76/40/410607640.db2.gz FQTOFHSUTJFKMB-HKUYNNGSSA-N 2 2 323.440 1.966 50 0 DDAALP CNC(=O)[C@@H]1C[C@H]([NH3+])C[N@H+]1CC(c1ccccc1)c1ccccc1 ZINC000299759288 410607645 /nfs/dbraw/zinc/60/76/45/410607645.db2.gz FQTOFHSUTJFKMB-HKUYNNGSSA-N 2 2 323.440 1.966 50 0 DDAALP C[N@@H+]1CCC[C@](O)(C[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000046087409 418445533 /nfs/dbraw/zinc/44/55/33/418445533.db2.gz UDVNNKZCOYQKFI-QGZVFWFLSA-N 2 2 307.413 1.404 50 0 DDAALP C[N@H+]1CCC[C@](O)(C[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000046087409 418445536 /nfs/dbraw/zinc/44/55/36/418445536.db2.gz UDVNNKZCOYQKFI-QGZVFWFLSA-N 2 2 307.413 1.404 50 0 DDAALP CO[C@H]1C[NH2+]C[C@@H]1[NH2+]C1CCN(c2ccc(F)cc2C)CC1 ZINC000426514500 228581669 /nfs/dbraw/zinc/58/16/69/228581669.db2.gz ALKXLZXIHWVVOD-RDJZCZTQSA-N 2 2 307.413 1.679 50 0 DDAALP CC(C)[C@H](C(=O)N1CC[NH+](C[C@H](C)O)CC1)[NH+]1CCCCC1 ZINC000070011081 190849030 /nfs/dbraw/zinc/84/90/30/190849030.db2.gz WMLVPAGTLHSEKG-JKSUJKDBSA-N 2 2 311.470 1.022 50 0 DDAALP Nc1nc(N[C@@H]2COC3(C2)CCCCC3)c2c([nH+]1)CC[NH2+]CC2 ZINC000072478471 191179877 /nfs/dbraw/zinc/17/98/77/191179877.db2.gz QZGTWOQHNZCJMW-LBPRGKRZSA-N 2 2 317.437 1.651 50 0 DDAALP CCC[C@@H]([NH3+])C(=O)N1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000195543834 354297006 /nfs/dbraw/zinc/29/70/06/354297006.db2.gz YWXFKBPFLOEMTR-MRXNPFEDSA-N 2 2 307.413 1.640 50 0 DDAALP C[C@H]1C[C@H]([NH2+]CCc2nnc3n2CCCCC3)C[N@@H+]1C1CC1 ZINC000095410327 291146141 /nfs/dbraw/zinc/14/61/41/291146141.db2.gz CPOLRYPGLKMQGW-KBPBESRZSA-N 2 2 303.454 1.762 50 0 DDAALP C[C@H]1C[C@H]([NH2+]CCc2nnc3n2CCCCC3)C[N@H+]1C1CC1 ZINC000095410327 291146143 /nfs/dbraw/zinc/14/61/43/291146143.db2.gz CPOLRYPGLKMQGW-KBPBESRZSA-N 2 2 303.454 1.762 50 0 DDAALP CN1CC[C@@]2(CN(c3cc[nH+]cc3F)CC[N@@H+]2C)CCC1=O ZINC000091871482 193121540 /nfs/dbraw/zinc/12/15/40/193121540.db2.gz YKJNPSXVHVTRPP-MRXNPFEDSA-N 2 2 306.385 1.354 50 0 DDAALP CN1CC[C@@]2(CN(c3cc[nH+]cc3F)CC[N@H+]2C)CCC1=O ZINC000091871482 193121541 /nfs/dbraw/zinc/12/15/41/193121541.db2.gz YKJNPSXVHVTRPP-MRXNPFEDSA-N 2 2 306.385 1.354 50 0 DDAALP CCn1nc(C[NH2+]CCC[NH2+]CCO)c(-c2ccccc2)n1 ZINC000261491675 203071389 /nfs/dbraw/zinc/07/13/89/203071389.db2.gz BZWZDPQGBXEOSJ-UHFFFAOYSA-N 2 2 303.410 1.027 50 0 DDAALP NC(=O)C1CC[NH+](CCC[NH2+]Cc2cccc3c2OCO3)CC1 ZINC000065502721 184356373 /nfs/dbraw/zinc/35/63/73/184356373.db2.gz XWGLHHCXBCTOLK-UHFFFAOYSA-N 2 2 319.405 1.092 50 0 DDAALP CCOc1ccc(OC[C@@H](O)C[NH2+]C[C@H]2CCC[N@@H+]2CC)cc1 ZINC000025538610 406898881 /nfs/dbraw/zinc/89/88/81/406898881.db2.gz JVXSYAHNRVHKSR-CVEARBPZSA-N 2 2 322.449 1.899 50 0 DDAALP CCOc1ccc(OC[C@@H](O)C[NH2+]C[C@H]2CCC[N@H+]2CC)cc1 ZINC000025538610 406898883 /nfs/dbraw/zinc/89/88/83/406898883.db2.gz JVXSYAHNRVHKSR-CVEARBPZSA-N 2 2 322.449 1.899 50 0 DDAALP CCc1[nH]c([C@H]2C[N@H+](C)C[C@@H]2C(=O)Nc2cccnc2)c(C)[nH+]1 ZINC000071763525 406842997 /nfs/dbraw/zinc/84/29/97/406842997.db2.gz FPRVTIYNIJBOPL-KBPBESRZSA-N 2 2 313.405 1.959 50 0 DDAALP CCc1[nH]c([C@H]2C[N@@H+](C)C[C@@H]2C(=O)Nc2cccnc2)c(C)[nH+]1 ZINC000071763525 406842999 /nfs/dbraw/zinc/84/29/99/406842999.db2.gz FPRVTIYNIJBOPL-KBPBESRZSA-N 2 2 313.405 1.959 50 0 DDAALP C[C@H](Cn1cc[nH+]c1)NC(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000047833229 407082376 /nfs/dbraw/zinc/08/23/76/407082376.db2.gz XEBDNKZENXAJGR-CHWSQXEVSA-N 2 2 321.450 1.935 50 0 DDAALP CCOC(=O)CC[NH+]1CCC([NH2+]C[C@@](C)(CC)[C@@H](C)O)CC1 ZINC000095986492 407220858 /nfs/dbraw/zinc/22/08/58/407220858.db2.gz OTQWNYDLXGUBQW-RHSMWYFYSA-N 2 2 314.470 1.791 50 0 DDAALP C[NH+](C)CCn1nnnc1SCc1c[nH+]c2ccccn12 ZINC000095990831 407222148 /nfs/dbraw/zinc/22/21/48/407222148.db2.gz HXXORWBIPCZWLF-UHFFFAOYSA-N 2 2 303.395 1.175 50 0 DDAALP O=C(CCC[NH+]1CCCCC1)NCC1=CSC2=[NH+]CCN12 ZINC000102856223 407327982 /nfs/dbraw/zinc/32/79/82/407327982.db2.gz IVZBYXBAELFGMH-UHFFFAOYSA-N 2 2 308.451 1.629 50 0 DDAALP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H](O)C[NH+]2CCCCC2)o1 ZINC000097160063 407283946 /nfs/dbraw/zinc/28/39/46/407283946.db2.gz AXHKKCHQLDXYMR-OAHLLOKOSA-N 2 2 318.421 1.915 50 0 DDAALP Cc1nc(NC[C@@H](C)[NH+]2CCOCC2)cc(C2CC[NH2+]CC2)n1 ZINC000067880353 407289288 /nfs/dbraw/zinc/28/92/88/407289288.db2.gz CUNZUWHBGSDTBI-CYBMUJFWSA-N 2 2 319.453 1.385 50 0 DDAALP COc1c(F)cc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)cc1F ZINC000097569017 407300012 /nfs/dbraw/zinc/30/00/12/407300012.db2.gz BMNPYQPASWGMOC-ZDUSSCGKSA-N 2 2 311.376 1.453 50 0 DDAALP CC(C)(C)c1cc(C[NH+]2CCC(O)(Cn3cc[nH+]c3)CC2)[nH]n1 ZINC000215252279 407483809 /nfs/dbraw/zinc/48/38/09/407483809.db2.gz IHNWGKXXFGHWLE-UHFFFAOYSA-N 2 2 317.437 1.931 50 0 DDAALP CSCC[C@H]([NH3+])C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000225475368 407588224 /nfs/dbraw/zinc/58/82/24/407588224.db2.gz STCHPGGRHMYKPA-ZFWWWQNUSA-N 2 2 322.478 1.367 50 0 DDAALP CCOc1ccnc(N2CCC[N@H+](CCn3cc[nH+]c3)CC2)n1 ZINC000131764491 196196473 /nfs/dbraw/zinc/19/64/73/196196473.db2.gz PQMIPVMDBBWVTQ-UHFFFAOYSA-N 2 2 316.409 1.284 50 0 DDAALP CCOc1ccnc(N2CCC[N@@H+](CCn3cc[nH+]c3)CC2)n1 ZINC000131764491 196196475 /nfs/dbraw/zinc/19/64/75/196196475.db2.gz PQMIPVMDBBWVTQ-UHFFFAOYSA-N 2 2 316.409 1.284 50 0 DDAALP Cc1nc(NCC(C)(C)[NH+]2CCOCC2)cc([C@H]2CCOC2)[nH+]1 ZINC000426613625 419518066 /nfs/dbraw/zinc/51/80/66/419518066.db2.gz LXRNCOLXMMXWCX-AWEZNQCLSA-N 2 2 320.437 1.812 50 0 DDAALP OCC1CC[NH+](CC[NH2+][C@H]2CCN(c3ccccc3)C2)CC1 ZINC000534653048 334312781 /nfs/dbraw/zinc/31/27/81/334312781.db2.gz TXYSMDYWBOAAGG-KRWDZBQOSA-N 2 2 303.450 1.559 50 0 DDAALP Cc1cc(C(N)=O)c(N2CCC3(C2)CC[NH+](C)CC3)[nH+]c1C ZINC000670441440 484831864 /nfs/dbraw/zinc/83/18/64/484831864.db2.gz HYZUBEYGMRXMRX-UHFFFAOYSA-N 2 2 302.422 1.719 50 0 DDAALP C[C@@H]1C[C@H]([NH2+]Cc2cnc(Br)n2C)CC[N@H+]1C ZINC000585118699 771951851 /nfs/dbraw/zinc/95/18/51/771951851.db2.gz YXQUMXGKJFQMGI-NXEZZACHSA-N 2 2 301.232 1.755 50 0 DDAALP COc1cc(C)c(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1OC ZINC000083455422 192370940 /nfs/dbraw/zinc/37/09/40/192370940.db2.gz SYBVRPFPGGRYMH-CVEARBPZSA-N 2 2 320.433 1.965 50 0 DDAALP COc1cc(C)c(C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1OC ZINC000083455422 192370941 /nfs/dbraw/zinc/37/09/41/192370941.db2.gz SYBVRPFPGGRYMH-CVEARBPZSA-N 2 2 320.433 1.965 50 0 DDAALP CCCc1c[nH+]c(C)nc1N1C[C@H](CO)[C@H](C[N@H+](C)CC)C1 ZINC000091678232 193090553 /nfs/dbraw/zinc/09/05/53/193090553.db2.gz OYRREPPSOMSNJQ-HZPDHXFCSA-N 2 2 306.454 1.734 50 0 DDAALP CCCc1c[nH+]c(C)nc1N1C[C@H](CO)[C@H](C[N@@H+](C)CC)C1 ZINC000091678232 193090555 /nfs/dbraw/zinc/09/05/55/193090555.db2.gz OYRREPPSOMSNJQ-HZPDHXFCSA-N 2 2 306.454 1.734 50 0 DDAALP O=C1NCCCC[C@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000023283204 182355282 /nfs/dbraw/zinc/35/52/82/182355282.db2.gz GEDCMVGELZYCAQ-GOSISDBHSA-N 2 2 315.461 1.952 50 0 DDAALP Cc1nc(C[NH2+][C@@H](C)CN2CC[NH+](C)CC2)nc2c1CCCC2 ZINC000065422681 184342174 /nfs/dbraw/zinc/34/21/74/184342174.db2.gz DZQRVMPIIKBMHF-AWEZNQCLSA-N 2 2 317.481 1.389 50 0 DDAALP c1cc2n(n1)C[C@H](C[NH2+]Cc1ccc(-n3cc[nH+]c3)nc1)CN2 ZINC000069443018 406712287 /nfs/dbraw/zinc/71/22/87/406712287.db2.gz WLPNADRYLHMIFW-CQSZACIVSA-N 2 2 309.377 1.295 50 0 DDAALP Cc1cccn2c(C[NH2+]CC3(C(N)=O)CCOCC3)c[nH+]c12 ZINC000086250560 407109249 /nfs/dbraw/zinc/10/92/49/407109249.db2.gz KCTPBVCKNDVOBO-UHFFFAOYSA-N 2 2 302.378 1.014 50 0 DDAALP CN(C)c1nc(N2CCC(C[NH+]3CCCCC3)CC2)cc(N)[nH+]1 ZINC000096140368 407240146 /nfs/dbraw/zinc/24/01/46/407240146.db2.gz JFPDBSHAUKYDBD-UHFFFAOYSA-N 2 2 318.469 1.827 50 0 DDAALP CN(C)c1nc(N)cc(N2CCC(C[NH+]3CCCCC3)CC2)[nH+]1 ZINC000096140368 407240148 /nfs/dbraw/zinc/24/01/48/407240148.db2.gz JFPDBSHAUKYDBD-UHFFFAOYSA-N 2 2 318.469 1.827 50 0 DDAALP O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)NCc1[nH]cc[nH+]1 ZINC000096444709 407267466 /nfs/dbraw/zinc/26/74/66/407267466.db2.gz KZGDUFRAQUHIBN-HNNXBMFYSA-N 2 2 314.389 1.317 50 0 DDAALP O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)NCc1[nH]cc[nH+]1 ZINC000096444709 407267468 /nfs/dbraw/zinc/26/74/68/407267468.db2.gz KZGDUFRAQUHIBN-HNNXBMFYSA-N 2 2 314.389 1.317 50 0 DDAALP COCCn1ccnc1C[NH+]1CCC(Cn2cc[nH+]c2C)CC1 ZINC000215469296 407484362 /nfs/dbraw/zinc/48/43/62/407484362.db2.gz LTOQBQQWVWYNSY-UHFFFAOYSA-N 2 2 317.437 1.947 50 0 DDAALP CC(C)[C@@H](C(=O)N[C@H]1CC[NH+](C2CC2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000229789721 407672817 /nfs/dbraw/zinc/67/28/17/407672817.db2.gz ANJSUUQJTATAKW-IVSAIRAKSA-N 2 2 323.481 1.473 50 0 DDAALP CC(C)[C@@H](C(=O)N[C@H]1CC[NH+](C2CC2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000229789721 407672821 /nfs/dbraw/zinc/67/28/21/407672821.db2.gz ANJSUUQJTATAKW-IVSAIRAKSA-N 2 2 323.481 1.473 50 0 DDAALP CC(C)[C@@H](C(=O)N[C@H]1CC[N@@H+](C2CC2)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000229789721 407672828 /nfs/dbraw/zinc/67/28/28/407672828.db2.gz ANJSUUQJTATAKW-IVSAIRAKSA-N 2 2 323.481 1.473 50 0 DDAALP CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+](C2CC2)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000229789721 407672834 /nfs/dbraw/zinc/67/28/34/407672834.db2.gz ANJSUUQJTATAKW-IVSAIRAKSA-N 2 2 323.481 1.473 50 0 DDAALP C[C@H]1CN(Cc2[nH+]ccn2C)CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000229376489 407662523 /nfs/dbraw/zinc/66/25/23/407662523.db2.gz MBCIVUBMTPEMLS-DOTOQJQBSA-N 2 2 314.433 1.660 50 0 DDAALP C[C@H]1CN(Cc2[nH+]ccn2C)CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000229376489 407662529 /nfs/dbraw/zinc/66/25/29/407662529.db2.gz MBCIVUBMTPEMLS-DOTOQJQBSA-N 2 2 314.433 1.660 50 0 DDAALP C[C@@H](CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)Cn1cc[nH+]c1 ZINC000193319795 163253010 /nfs/dbraw/zinc/25/30/10/163253010.db2.gz UVCLYUIMZBDRIG-HOCLYGCPSA-N 2 2 320.437 1.279 50 0 DDAALP C[C@@H](CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1)Cn1cc[nH+]c1 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CNC(=O)[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)CCO1 ZINC000192172698 354289887 /nfs/dbraw/zinc/28/98/87/354289887.db2.gz ZWCTWGXAAROHAP-MRXNPFEDSA-N 2 2 314.389 1.128 50 0 DDAALP C[C@H]1C[C@H]([NH2+]Cc2cn(C)nc2C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000585140891 354813842 /nfs/dbraw/zinc/81/38/42/354813842.db2.gz LEKZJCFTINEGJU-GXTWGEPZSA-N 2 2 322.453 1.948 50 0 DDAALP C[C@H]1C[C@H]([NH2+]Cc2cn(C)nc2C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000585140891 354813843 /nfs/dbraw/zinc/81/38/43/354813843.db2.gz LEKZJCFTINEGJU-GXTWGEPZSA-N 2 2 322.453 1.948 50 0 DDAALP [NH3+][C@@H]1CCC[C@H](C(=O)N2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000237892477 202382069 /nfs/dbraw/zinc/38/20/69/202382069.db2.gz DUMNYMUUVZWWFT-LSDHHAIUSA-N 2 2 302.422 1.243 50 0 DDAALP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccnc(-n2cc[nH+]c2)c1 ZINC000058415170 184114648 /nfs/dbraw/zinc/11/46/48/184114648.db2.gz YKJVFNDLYWQLBH-HUUCEWRRSA-N 2 2 311.389 1.624 50 0 DDAALP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccnc(-n2cc[nH+]c2)c1 ZINC000058415170 184114649 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CCc1nnc(N2CCC[N@@H+](CCC[NH+]3CCCC3)CC2)o1 ZINC000095379830 407212338 /nfs/dbraw/zinc/21/23/38/407212338.db2.gz IACBPIGULBOPIV-UHFFFAOYSA-N 2 2 307.442 1.630 50 0 DDAALP Cc1cc(NC(=O)C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)no1 ZINC000097200487 407286790 /nfs/dbraw/zinc/28/67/90/407286790.db2.gz SEUCDNFYLARNML-CYBMUJFWSA-N 2 2 315.377 1.751 50 0 DDAALP Cc1cc(NC(=O)C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)no1 ZINC000097200487 407286792 /nfs/dbraw/zinc/28/67/92/407286792.db2.gz SEUCDNFYLARNML-CYBMUJFWSA-N 2 2 315.377 1.751 50 0 DDAALP CSc1ncc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000215902980 407489176 /nfs/dbraw/zinc/48/91/76/407489176.db2.gz NAIORIPUGCXUSQ-UHFFFAOYSA-N 2 2 301.419 1.916 50 0 DDAALP [NH3+][C@@H]1CCC[C@H]1C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000237952535 407855557 /nfs/dbraw/zinc/85/55/57/407855557.db2.gz VDPVERRDVGUOCZ-IAGOWNOFSA-N 2 2 317.433 1.262 50 0 DDAALP COc1ccccc1C[NH+]1CCN(C(=O)[C@H]2CSC[NH2+]2)CC1 ZINC000167424017 408817268 /nfs/dbraw/zinc/81/72/68/408817268.db2.gz WXLLDBPLEQZOBA-CQSZACIVSA-N 2 2 321.446 1.002 50 0 DDAALP C[N@@H+]1CCC[C@@H](CCC(=O)NCC2=CSC3=[NH+]CCN23)C1 ZINC000102681219 418495507 /nfs/dbraw/zinc/49/55/07/418495507.db2.gz FVAYQAWZBGUPAI-LBPRGKRZSA-N 2 2 308.451 1.484 50 0 DDAALP C[N@H+]1CCC[C@@H](CCC(=O)NCC2=CSC3=[NH+]CCN23)C1 ZINC000102681219 418495508 /nfs/dbraw/zinc/49/55/08/418495508.db2.gz FVAYQAWZBGUPAI-LBPRGKRZSA-N 2 2 308.451 1.484 50 0 DDAALP [NH3+][C@@H]1CC[N@H+](Cc2cccc(OCc3ccccn3)c2)C[C@H]1O ZINC000426550410 419507022 /nfs/dbraw/zinc/50/70/22/419507022.db2.gz KGJNMIXPDGZHFE-QZTJIDSGSA-N 2 2 313.401 1.555 50 0 DDAALP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(OCc3ccccn3)c2)C[C@H]1O ZINC000426550410 419507026 /nfs/dbraw/zinc/50/70/26/419507026.db2.gz KGJNMIXPDGZHFE-QZTJIDSGSA-N 2 2 313.401 1.555 50 0 DDAALP C[N@H+](CC(=O)N(Cc1cccc(O)c1)C1CC1)C1CC[NH2+]CC1 ZINC000216102870 484140433 /nfs/dbraw/zinc/14/04/33/484140433.db2.gz BGUZOQFEGUVTIN-UHFFFAOYSA-N 2 2 317.433 1.567 50 0 DDAALP C[N@@H+](CC(=O)N(Cc1cccc(O)c1)C1CC1)C1CC[NH2+]CC1 ZINC000216102870 484140437 /nfs/dbraw/zinc/14/04/37/484140437.db2.gz BGUZOQFEGUVTIN-UHFFFAOYSA-N 2 2 317.433 1.567 50 0 DDAALP CCc1[nH+]ccn1C[C@@H](C)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000823557553 758329985 /nfs/dbraw/zinc/32/99/85/758329985.db2.gz UHBIJTPTFLMCIA-OAHLLOKOSA-N 3 2 307.486 1.450 50 0 DDAALP COc1ccccc1C[NH+]1CCN(C(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000167422641 197708771 /nfs/dbraw/zinc/70/87/71/197708771.db2.gz ILLDAACVBABSNK-HNNXBMFYSA-N 2 2 303.406 1.091 50 0 DDAALP [NH3+]C1(CN2CC[NH+](CC3([NH3+])CCCCC3)CC2)CCCCC1 ZINC000071767275 191029183 /nfs/dbraw/zinc/02/91/83/191029183.db2.gz NDSXVILWXWMHKR-UHFFFAOYSA-N 3 2 308.514 1.927 50 0 DDAALP COc1cccc(-c2cc(C[NH2+]C[C@]3(O)CCC[NH2+]C3)on2)c1 ZINC000072479666 191181136 /nfs/dbraw/zinc/18/11/36/191181136.db2.gz BWNIYMLKKNLRPS-KRWDZBQOSA-N 2 2 317.389 1.554 50 0 DDAALP C[NH+](C)CCCNC(=O)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000013649261 406864972 /nfs/dbraw/zinc/86/49/72/406864972.db2.gz BRPSOBSLKQZGTD-UHFFFAOYSA-N 2 2 305.422 1.200 50 0 DDAALP CC[NH+](CC)CC(=O)NC1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000076085118 406954111 /nfs/dbraw/zinc/95/41/11/406954111.db2.gz BUBHZJYNLFDKCI-UHFFFAOYSA-N 2 2 304.438 1.817 50 0 DDAALP C[NH+]1CCC([NH+]2CCN(C(=O)Cc3cccc(O)c3)CC2)CC1 ZINC000214990306 407480045 /nfs/dbraw/zinc/48/00/45/407480045.db2.gz RDYUGVQJLPOCGK-UHFFFAOYSA-N 2 2 317.433 1.173 50 0 DDAALP CC(C)[N@H+](C)CC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000170596369 407444384 /nfs/dbraw/zinc/44/43/84/407444384.db2.gz CBTYFWZLOCJCCW-UHFFFAOYSA-N 2 2 304.369 1.968 50 0 DDAALP CC(C)[N@@H+](C)CC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000170596369 407444404 /nfs/dbraw/zinc/44/44/04/407444404.db2.gz CBTYFWZLOCJCCW-UHFFFAOYSA-N 2 2 304.369 1.968 50 0 DDAALP COCc1noc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)n1 ZINC000182329147 408128116 /nfs/dbraw/zinc/12/81/16/408128116.db2.gz UJRYRDVBQKVYTH-LBPRGKRZSA-N 2 2 303.366 1.545 50 0 DDAALP COCc1noc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)n1 ZINC000182329147 408128122 /nfs/dbraw/zinc/12/81/22/408128122.db2.gz UJRYRDVBQKVYTH-LBPRGKRZSA-N 2 2 303.366 1.545 50 0 DDAALP CN(CCCc1[nH+]ccn1C)c1cc([C@@H]2CCOC2)[nH+]c(N)n1 ZINC000299759799 410609700 /nfs/dbraw/zinc/60/97/00/410609700.db2.gz NMMWMKDVHDLBBS-GFCCVEGCSA-N 2 2 316.409 1.365 50 0 DDAALP C[NH+]1CCC([NH+]2CCN(C(=O)NCc3ccoc3)CC2)CC1 ZINC000426372516 419448457 /nfs/dbraw/zinc/44/84/57/419448457.db2.gz UXCXPZYRUZMGDV-UHFFFAOYSA-N 2 2 306.410 1.201 50 0 DDAALP C[C@H](Cn1cc[nH+]c1)[NH2+]CC1(N2CC[NH+](C)CC2)CCCC1 ZINC000534640036 334310813 /nfs/dbraw/zinc/31/08/13/334310813.db2.gz SCUWDHZPKNJVJZ-MRXNPFEDSA-N 3 2 305.470 1.421 50 0 DDAALP Cn1ncc2c1nc[nH+]c2N[C@@H]1C[C@H]([NH+]2CCOCC2)C1(C)C ZINC000585092024 483920805 /nfs/dbraw/zinc/92/08/05/483920805.db2.gz BHLVPRJPFQLEQO-OLZOCXBDSA-N 2 2 316.409 1.275 50 0 DDAALP CCc1[nH+]ccn1C[C@H](C)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000823557549 758329559 /nfs/dbraw/zinc/32/95/59/758329559.db2.gz UHBIJTPTFLMCIA-HNNXBMFYSA-N 3 2 307.486 1.450 50 0 DDAALP COCC[NH+]1[C@H](C)CN(C(=O)[C@H]([NH3+])c2ccccc2)C[C@H]1C ZINC000230464516 354326555 /nfs/dbraw/zinc/32/65/55/354326555.db2.gz KZOQRNIXCGSPLK-IIAWOOMASA-N 2 2 305.422 1.254 50 0 DDAALP O=C(N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)[C@@H]1CC[NH2+]C1 ZINC000237772294 202350339 /nfs/dbraw/zinc/35/03/39/202350339.db2.gz PKRXELZFKZXYHU-CHWSQXEVSA-N 2 2 323.387 1.655 50 0 DDAALP O=C(N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)[C@@H]1CC[NH2+]C1 ZINC000237772294 202350343 /nfs/dbraw/zinc/35/03/43/202350343.db2.gz PKRXELZFKZXYHU-CHWSQXEVSA-N 2 2 323.387 1.655 50 0 DDAALP [NH3+][C@H]1CC[C@H](C(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000237894889 202383261 /nfs/dbraw/zinc/38/32/61/202383261.db2.gz FLUFHSVKQSHMHV-YOEHRIQHSA-N 2 2 317.433 1.262 50 0 DDAALP CN(C)c1ncc(C[N@@H+]2CC[C@H]([NH+](C)C)[C@H](CCCO)C2)cn1 ZINC000091474487 193061775 /nfs/dbraw/zinc/06/17/75/193061775.db2.gz VVPJZUAIWQABIL-CVEARBPZSA-N 2 2 321.469 1.067 50 0 DDAALP CN(C)c1ncc(C[N@H+]2CC[C@H]([NH+](C)C)[C@H](CCCO)C2)cn1 ZINC000091474487 193061777 /nfs/dbraw/zinc/06/17/77/193061777.db2.gz VVPJZUAIWQABIL-CVEARBPZSA-N 2 2 321.469 1.067 50 0 DDAALP c1cc2n(n1)C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc3ccccc3)C1)CN2 ZINC000058308388 184103642 /nfs/dbraw/zinc/10/36/42/184103642.db2.gz GCXVQXUBPIXJIC-IAGOWNOFSA-N 2 2 311.433 1.789 50 0 DDAALP c1cc2n(n1)C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc3ccccc3)C1)CN2 ZINC000058308388 184103644 /nfs/dbraw/zinc/10/36/44/184103644.db2.gz GCXVQXUBPIXJIC-IAGOWNOFSA-N 2 2 311.433 1.789 50 0 DDAALP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000065444409 184346067 /nfs/dbraw/zinc/34/60/67/184346067.db2.gz YUJYLBNROLPDEY-LSDHHAIUSA-N 2 2 305.426 1.541 50 0 DDAALP Cc1cccc(N2CC[NH+](C[C@]3(O)CCC[N@@H+](C)C3)CC2)c1 ZINC000041124052 407005280 /nfs/dbraw/zinc/00/52/80/407005280.db2.gz FFQROCJKVDPWSO-SFHVURJKSA-N 2 2 303.450 1.574 50 0 DDAALP Cc1cccc(N2CC[NH+](C[C@]3(O)CCC[N@H+](C)C3)CC2)c1 ZINC000041124052 407005282 /nfs/dbraw/zinc/00/52/82/407005282.db2.gz FFQROCJKVDPWSO-SFHVURJKSA-N 2 2 303.450 1.574 50 0 DDAALP Cc1ccc(CN(CC[NH+](C)C)C(=O)Cn2cc[nH+]c2)s1 ZINC000055392915 407203322 /nfs/dbraw/zinc/20/33/22/407203322.db2.gz DZHNUUYRSQTPQR-UHFFFAOYSA-N 2 2 306.435 1.843 50 0 DDAALP CCc1cnc(N2CCC3(CC2)C[N@H+](C)CCC[NH+]3C)nc1 ZINC000095366435 407209759 /nfs/dbraw/zinc/20/97/59/407209759.db2.gz XDCPMESUINAMJT-UHFFFAOYSA-N 2 2 303.454 1.645 50 0 DDAALP CCc1cnc(N2CCC3(CC2)C[N@@H+](C)CCC[NH+]3C)nc1 ZINC000095366435 407209760 /nfs/dbraw/zinc/20/97/60/407209760.db2.gz XDCPMESUINAMJT-UHFFFAOYSA-N 2 2 303.454 1.645 50 0 DDAALP CCc1cnc(N2CCC3(CC2)C[NH+](C)CCC[N@@H+]3C)nc1 ZINC000095366435 407209761 /nfs/dbraw/zinc/20/97/61/407209761.db2.gz XDCPMESUINAMJT-UHFFFAOYSA-N 2 2 303.454 1.645 50 0 DDAALP CCc1cnc(N2CCC3(CC2)C[NH+](C)CCC[N@H+]3C)nc1 ZINC000095366435 407209763 /nfs/dbraw/zinc/20/97/63/407209763.db2.gz XDCPMESUINAMJT-UHFFFAOYSA-N 2 2 303.454 1.645 50 0 DDAALP O=C(c1ccccc1F)N1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000095987161 407220866 /nfs/dbraw/zinc/22/08/66/407220866.db2.gz KULJQDRMMFRDML-UHFFFAOYSA-N 2 2 316.380 1.870 50 0 DDAALP Clc1cc2c(cc1C[NH+]1CCN([C@@H]3CC[NH2+]C3)CC1)OCO2 ZINC000097076369 407277639 /nfs/dbraw/zinc/27/76/39/407277639.db2.gz DXZXFFOZJGWMPD-CYBMUJFWSA-N 2 2 323.824 1.548 50 0 DDAALP CC[C@@H]1CN(S(=O)(=O)C(C)C)CC[C@H]1[NH2+]Cc1c[nH+]c[nH]1 ZINC000241367981 407911134 /nfs/dbraw/zinc/91/11/34/407911134.db2.gz MIZSNKODKAZPEO-TZMCWYRMSA-N 2 2 314.455 1.338 50 0 DDAALP CC[C@@H]([NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1)C(=O)OC ZINC000192855675 408662285 /nfs/dbraw/zinc/66/22/85/408662285.db2.gz UDLYUDYGJPNZCJ-CQSZACIVSA-N 2 2 306.410 1.603 50 0 DDAALP O=C([C@@H]1CC12CC[NH2+]CC2)N1CC[NH+](Cc2cccnc2)CC1 ZINC000299791662 410631624 /nfs/dbraw/zinc/63/16/24/410631624.db2.gz HIDBEDIIXVRNGE-INIZCTEOSA-N 2 2 314.433 1.116 50 0 DDAALP CC[N@@H+](Cc1ccc2c(c1)OCO2)C[C@H](O)C[NH+]1CCCC1 ZINC000048236452 418467076 /nfs/dbraw/zinc/46/70/76/418467076.db2.gz FZBYGNVLHRLMTP-HNNXBMFYSA-N 2 2 306.406 1.694 50 0 DDAALP CC[N@H+](Cc1ccc2c(c1)OCO2)C[C@H](O)C[NH+]1CCCC1 ZINC000048236452 418467078 /nfs/dbraw/zinc/46/70/78/418467078.db2.gz FZBYGNVLHRLMTP-HNNXBMFYSA-N 2 2 306.406 1.694 50 0 DDAALP Nc1[nH+]c(NCC2CC[NH+](CC3CC3)CC2)cc2nncn21 ZINC000584895253 422303129 /nfs/dbraw/zinc/30/31/29/422303129.db2.gz YBNVNEXNJKWIOD-UHFFFAOYSA-N 2 2 301.398 1.240 50 0 DDAALP CC[NH+](CC)CC[C@H](CO)[NH2+]Cc1cn(C)nc1C(C)(C)C ZINC000585118341 422307322 /nfs/dbraw/zinc/30/73/22/422307322.db2.gz LCHGENIKNTUVBZ-OAHLLOKOSA-N 2 2 310.486 1.900 50 0 DDAALP CC(C)[N@@H+]1CCO[C@H](CC(=O)NCC2(Cn3cc[nH+]c3)CC2)C1 ZINC000534663392 334322882 /nfs/dbraw/zinc/32/28/82/334322882.db2.gz AFEGCTUWPNPIGR-OAHLLOKOSA-N 2 2 320.437 1.279 50 0 DDAALP CC(C)[N@H+]1CCO[C@H](CC(=O)NCC2(Cn3cc[nH+]c3)CC2)C1 ZINC000534663392 334322884 /nfs/dbraw/zinc/32/28/84/334322884.db2.gz AFEGCTUWPNPIGR-OAHLLOKOSA-N 2 2 320.437 1.279 50 0 DDAALP Cc1noc(C)c1C[NH+]1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000299586056 534354383 /nfs/dbraw/zinc/35/43/83/534354383.db2.gz DHNFPVPDAZJEKZ-UHFFFAOYSA-N 2 2 317.393 1.222 50 0 DDAALP COc1ccc(C(=O)N[C@H]2CCC[N@@H+](C3CC[NH+](C)CC3)C2)o1 ZINC000012076357 696048601 /nfs/dbraw/zinc/04/86/01/696048601.db2.gz BXVLFIJYRSRGAW-ZDUSSCGKSA-N 2 2 321.421 1.577 50 0 DDAALP COc1ccc(C(=O)N[C@H]2CCC[N@H+](C3CC[NH+](C)CC3)C2)o1 ZINC000012076357 696048604 /nfs/dbraw/zinc/04/86/04/696048604.db2.gz BXVLFIJYRSRGAW-ZDUSSCGKSA-N 2 2 321.421 1.577 50 0 DDAALP COc1ccc2[nH]c(C[NH2+][C@@H](C)CN3CC[NH+](C)CC3)nc2c1 ZINC000067770032 696363963 /nfs/dbraw/zinc/36/39/63/696363963.db2.gz UIVDQTUIJYOSDG-ZDUSSCGKSA-N 2 2 317.437 1.297 50 0 DDAALP C[NH+](C)CC(=O)Nc1cccc(NC(=O)C[NH+]2CCCCC2)c1 ZINC000823676179 758340277 /nfs/dbraw/zinc/34/02/77/758340277.db2.gz PNFDVSKPFKZQNL-UHFFFAOYSA-N 2 2 318.421 1.611 50 0 DDAALP Cc1[nH+]cn(CCNC(=O)[C@H](Cc2ccccc2)[NH+](C)C)c1C ZINC000823728024 758355624 /nfs/dbraw/zinc/35/56/24/758355624.db2.gz WTMATLXNZVDYSL-KRWDZBQOSA-N 2 2 314.433 1.789 50 0 DDAALP CC[NH+]1CCN(C2=[NH+]CCN2C(=O)c2ccccc2OC)CC1 ZINC000096339205 353913949 /nfs/dbraw/zinc/91/39/49/353913949.db2.gz OIDOPBJUYBLUFP-UHFFFAOYSA-N 2 2 316.405 1.145 50 0 DDAALP CCc1noc([C@@H](C)[NH+]2CCC(C[NH+]3CCOCC3)CC2)n1 ZINC000048234461 183630244 /nfs/dbraw/zinc/63/02/44/183630244.db2.gz RZVIAZJLLPQBKX-CYBMUJFWSA-N 2 2 308.426 1.737 50 0 DDAALP Cc1nc(NCCC[NH+]2CCC(C(N)=O)CC2)cc(C(C)C)[nH+]1 ZINC000065369991 184329331 /nfs/dbraw/zinc/32/93/31/184329331.db2.gz SCMVVPOOIMAIAJ-UHFFFAOYSA-N 2 2 319.453 1.908 50 0 DDAALP CC(C)Cc1nc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)no1 ZINC000069901483 406789717 /nfs/dbraw/zinc/78/97/17/406789717.db2.gz ONJPGGUZHIRDLG-AWEZNQCLSA-N 2 2 324.469 1.793 50 0 DDAALP CC(C)Cc1nc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)no1 ZINC000069901483 406789722 /nfs/dbraw/zinc/78/97/22/406789722.db2.gz ONJPGGUZHIRDLG-AWEZNQCLSA-N 2 2 324.469 1.793 50 0 DDAALP C[C@H](Cn1cccn1)[NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000071877175 406859261 /nfs/dbraw/zinc/85/92/61/406859261.db2.gz IENVCDXVNNQILO-QAPCUYQASA-N 2 2 314.433 1.280 50 0 DDAALP C[C@H](Cn1cccn1)[NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000071877175 406859263 /nfs/dbraw/zinc/85/92/63/406859263.db2.gz IENVCDXVNNQILO-QAPCUYQASA-N 2 2 314.433 1.280 50 0 DDAALP COCC[N@@H+]1CC[C@@H](C[NH+]2CCN(c3cc[nH+]cc3C)CC2)C1 ZINC000020996281 406888712 /nfs/dbraw/zinc/88/87/12/406888712.db2.gz AHXOQKZAPDSPOH-QGZVFWFLSA-N 3 2 318.465 1.480 50 0 DDAALP COCC[N@H+]1CC[C@@H](C[NH+]2CCN(c3cc[nH+]cc3C)CC2)C1 ZINC000020996281 406888714 /nfs/dbraw/zinc/88/87/14/406888714.db2.gz AHXOQKZAPDSPOH-QGZVFWFLSA-N 3 2 318.465 1.480 50 0 DDAALP C[N@@H+]1CCCCC[C@H]1C(=O)N1CCC(O)(Cn2cc[nH+]c2)CC1 ZINC000095369073 407209630 /nfs/dbraw/zinc/20/96/30/407209630.db2.gz LWZWFQHQIBIZBL-HNNXBMFYSA-N 2 2 320.437 1.111 50 0 DDAALP C[N@H+]1CCCCC[C@H]1C(=O)N1CCC(O)(Cn2cc[nH+]c2)CC1 ZINC000095369073 407209632 /nfs/dbraw/zinc/20/96/32/407209632.db2.gz LWZWFQHQIBIZBL-HNNXBMFYSA-N 2 2 320.437 1.111 50 0 DDAALP O=C(C1CC[NH+](C2CCOCC2)CC1)N1CCc2[nH]c[nH+]c2C1 ZINC000095382876 407211624 /nfs/dbraw/zinc/21/16/24/407211624.db2.gz UDBGVPGWFBYDKC-UHFFFAOYSA-N 2 2 318.421 1.185 50 0 DDAALP O=C(C1CC[NH+](C2CCOCC2)CC1)N1CCc2[nH+]c[nH]c2C1 ZINC000095382876 407211627 /nfs/dbraw/zinc/21/16/27/407211627.db2.gz UDBGVPGWFBYDKC-UHFFFAOYSA-N 2 2 318.421 1.185 50 0 DDAALP CC[C@@H](C(=O)N1CC[NH+]([C@@H](C)c2ccccn2)CC1)[NH+](C)C ZINC000095943417 407215858 /nfs/dbraw/zinc/21/58/58/407215858.db2.gz SDLMMNAJJPNOFN-HOCLYGCPSA-N 2 2 304.438 1.627 50 0 DDAALP CCOC(=O)CCCC[NH+]1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000096417409 407262027 /nfs/dbraw/zinc/26/20/27/407262027.db2.gz AZBKGHLDGIMFHY-UHFFFAOYSA-N 2 2 320.437 1.949 50 0 DDAALP CC(C)[N@H+](C)C[C@H]1CCCN(c2[nH+]cnc3c2cnn3C)C1 ZINC000065434363 407242858 /nfs/dbraw/zinc/24/28/58/407242858.db2.gz MSKNCAOOWUHDLH-CYBMUJFWSA-N 2 2 302.426 1.920 50 0 DDAALP CC(C)[N@@H+](C)C[C@H]1CCCN(c2[nH+]cnc3c2cnn3C)C1 ZINC000065434363 407242861 /nfs/dbraw/zinc/24/28/61/407242861.db2.gz MSKNCAOOWUHDLH-CYBMUJFWSA-N 2 2 302.426 1.920 50 0 DDAALP CC(C)n1cc[nH+]c1CN1CCC([NH+]2CCC(O)CC2)CC1 ZINC000067654784 407278914 /nfs/dbraw/zinc/27/89/14/407278914.db2.gz YNYSBHJMLUFNCW-UHFFFAOYSA-N 2 2 306.454 1.885 50 0 DDAALP C[N@@H+]1CCN(Cc2c[nH+]cn2Cc2ccccc2)C[C@@H]1CCO ZINC000252503933 408802795 /nfs/dbraw/zinc/80/27/95/408802795.db2.gz VHJLAPMTNJPINL-KRWDZBQOSA-N 2 2 314.433 1.430 50 0 DDAALP C[N@H+]1CCN(Cc2c[nH+]cn2Cc2ccccc2)C[C@@H]1CCO ZINC000252503933 408802798 /nfs/dbraw/zinc/80/27/98/408802798.db2.gz VHJLAPMTNJPINL-KRWDZBQOSA-N 2 2 314.433 1.430 50 0 DDAALP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C1([NH+]2CCOCC2)CCCC1 ZINC000118879842 418501889 /nfs/dbraw/zinc/50/18/89/418501889.db2.gz QFCOUJADUFINAO-HNNXBMFYSA-N 2 2 321.465 1.232 50 0 DDAALP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)C1([NH+]2CCOCC2)CCCC1 ZINC000118879842 418501893 /nfs/dbraw/zinc/50/18/93/418501893.db2.gz QFCOUJADUFINAO-HNNXBMFYSA-N 2 2 321.465 1.232 50 0 DDAALP O=C(N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)[C@H]1CC[NH2+]C1 ZINC000262672939 222288456 /nfs/dbraw/zinc/28/84/56/222288456.db2.gz PKRXELZFKZXYHU-STQMWFEESA-N 2 2 323.387 1.655 50 0 DDAALP O=C(N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)[C@H]1CC[NH2+]C1 ZINC000262672939 222288460 /nfs/dbraw/zinc/28/84/60/222288460.db2.gz PKRXELZFKZXYHU-STQMWFEESA-N 2 2 323.387 1.655 50 0 DDAALP Cc1c[nH+]c(N2CCC[C@@](O)(C[NH+]3CCCC3)C2)nc1N(C)C ZINC000082109551 281601829 /nfs/dbraw/zinc/60/18/29/281601829.db2.gz QGNSBFQCGKRIDL-QGZVFWFLSA-N 2 2 319.453 1.278 50 0 DDAALP CCO[C@H]1CN(C)C[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000670451082 484837317 /nfs/dbraw/zinc/83/73/17/484837317.db2.gz DURCYXMRUKIYPV-OALUTQOASA-N 2 2 317.477 1.960 50 0 DDAALP CSCC[C@H]([NH3+])C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000157534294 525579281 /nfs/dbraw/zinc/57/92/81/525579281.db2.gz SDAPAERSMGVIKS-OLZOCXBDSA-N 2 2 310.467 1.282 50 0 DDAALP CCNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH+](C)C ZINC000581801319 761707550 /nfs/dbraw/zinc/70/75/50/761707550.db2.gz NLJBAUWDNZASBB-HZPDHXFCSA-N 2 2 304.438 1.368 50 0 DDAALP CCNC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH+](C)C ZINC000581801319 761707552 /nfs/dbraw/zinc/70/75/52/761707552.db2.gz NLJBAUWDNZASBB-HZPDHXFCSA-N 2 2 304.438 1.368 50 0 DDAALP Cc1c(C[NH2+]C[C@@H](C)C[NH+](C)C)c(=O)n(-c2ccccc2)n1C ZINC000585085587 771934492 /nfs/dbraw/zinc/93/44/92/771934492.db2.gz PPTZOKCPRLUVND-CQSZACIVSA-N 2 2 316.449 1.772 50 0 DDAALP O[C@H](COC[C@H]1CCCO1)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000221947153 539265153 /nfs/dbraw/zinc/26/51/53/539265153.db2.gz MKYOAPVSWLFKHR-QLFBSQMISA-N 2 2 309.410 1.146 50 0 DDAALP O[C@H](COC[C@H]1CCCO1)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000221947153 539265155 /nfs/dbraw/zinc/26/51/55/539265155.db2.gz MKYOAPVSWLFKHR-QLFBSQMISA-N 2 2 309.410 1.146 50 0 DDAALP C[C@@H](C(=O)NCC(F)(F)F)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000221946735 539265202 /nfs/dbraw/zinc/26/52/02/539265202.db2.gz WAUHAPFBSPARSF-VHSXEESVSA-N 2 2 304.316 1.656 50 0 DDAALP C[C@@H](C(=O)NCC(F)(F)F)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000221946735 539265204 /nfs/dbraw/zinc/26/52/04/539265204.db2.gz WAUHAPFBSPARSF-VHSXEESVSA-N 2 2 304.316 1.656 50 0 DDAALP C[N@@H+]1CCc2nc(NC(=O)c3ccc(C[NH3+])cc3)sc2C1 ZINC000071699676 191009515 /nfs/dbraw/zinc/00/95/15/191009515.db2.gz GCZHVMXGHSFFGH-UHFFFAOYSA-N 2 2 302.403 1.842 50 0 DDAALP C[N@H+]1CCc2nc(NC(=O)c3ccc(C[NH3+])cc3)sc2C1 ZINC000071699676 191009518 /nfs/dbraw/zinc/00/95/18/191009518.db2.gz GCZHVMXGHSFFGH-UHFFFAOYSA-N 2 2 302.403 1.842 50 0 DDAALP COC(=O)COc1ccccc1C[N@@H+]1CCCn2c[nH+]cc2C1 ZINC000072133913 191045976 /nfs/dbraw/zinc/04/59/76/191045976.db2.gz KTADYWDZYIGBCL-UHFFFAOYSA-N 2 2 315.373 1.841 50 0 DDAALP COC(=O)COc1ccccc1C[N@H+]1CCCn2c[nH+]cc2C1 ZINC000072133913 191045979 /nfs/dbraw/zinc/04/59/79/191045979.db2.gz KTADYWDZYIGBCL-UHFFFAOYSA-N 2 2 315.373 1.841 50 0 DDAALP CN(Cc1[nH+]ccn1Cc1ccccc1)C[C@@]1(O)CC[NH2+]C1 ZINC000072432331 191163996 /nfs/dbraw/zinc/16/39/96/191163996.db2.gz UBAXQRDLQQFDDA-QGZVFWFLSA-N 2 2 300.406 1.088 50 0 DDAALP COc1cc(C)c(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1OC ZINC000110670905 353961986 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C[NH+](CCO)C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2)C[C@@H]1CO ZINC000091847047 193116732 /nfs/dbraw/zinc/11/67/32/193116732.db2.gz UPXYDVZWSMULLM-HUUCEWRRSA-N 2 2 312.841 1.304 50 0 DDAALP CCCc1cc(N2C[C@H](CO)[C@H](C[NH+]3CCCC3)C2)nc(C)[nH+]1 ZINC000092097947 193157056 /nfs/dbraw/zinc/15/70/56/193157056.db2.gz JLWAIDCDYOUSBF-HZPDHXFCSA-N 2 2 318.465 1.878 50 0 DDAALP Cc1ccc[nH+]c1NCCNC(=O)C[N@@H+](C)Cc1cccnc1 ZINC000223466010 407569586 /nfs/dbraw/zinc/56/95/86/407569586.db2.gz SYUNJHUXKPQFLB-UHFFFAOYSA-N 2 2 313.405 1.445 50 0 DDAALP Cc1ccc[nH+]c1NCCNC(=O)C[N@H+](C)Cc1cccnc1 ZINC000223466010 407569595 /nfs/dbraw/zinc/56/95/95/407569595.db2.gz SYUNJHUXKPQFLB-UHFFFAOYSA-N 2 2 313.405 1.445 50 0 DDAALP O=C(c1ccnc(-n2cc[nH+]c2)c1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000069662546 406754853 /nfs/dbraw/zinc/75/48/53/406754853.db2.gz VYVRSMFSZJZRBY-HNNXBMFYSA-N 2 2 322.372 1.941 50 0 DDAALP Cn1c(C[NH+]2CCSCC2)cc(=O)c(O)c1C[NH+]1CCCC1 ZINC000079495383 407055537 /nfs/dbraw/zinc/05/55/37/407055537.db2.gz GFZXRVFZVLABKU-UHFFFAOYSA-N 2 2 323.462 1.236 50 0 DDAALP O=C(NCCCn1cc[nH+]c1)C1CC[NH+](Cc2ccco2)CC1 ZINC000095380702 407212384 /nfs/dbraw/zinc/21/23/84/407212384.db2.gz XZNFSFICXVAEQK-UHFFFAOYSA-N 2 2 316.405 1.895 50 0 DDAALP CC(C)C(=O)N1CCC([NH2+]CC[N@@H+]2CCCC[C@H]2CO)CC1 ZINC000065458953 407243512 /nfs/dbraw/zinc/24/35/12/407243512.db2.gz OFCBBSGJCFQCAO-INIZCTEOSA-N 2 2 311.470 1.070 50 0 DDAALP CC(C)C(=O)N1CCC([NH2+]CC[N@H+]2CCCC[C@H]2CO)CC1 ZINC000065458953 407243515 /nfs/dbraw/zinc/24/35/15/407243515.db2.gz OFCBBSGJCFQCAO-INIZCTEOSA-N 2 2 311.470 1.070 50 0 DDAALP CC(C)c1nn(C)c(N(C)C)c1C[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000065512361 407244381 /nfs/dbraw/zinc/24/43/81/407244381.db2.gz BNSSCLDOQQRTFF-CYBMUJFWSA-N 2 2 304.442 1.984 50 0 DDAALP Cc1cccc(N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)[nH+]1 ZINC000097096580 407279769 /nfs/dbraw/zinc/27/97/69/407279769.db2.gz ASRKQDFVEUMSIL-UHFFFAOYSA-N 2 2 316.449 1.771 50 0 DDAALP Cn1c[nH+]cc1C[NH2+][C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000111388793 407409577 /nfs/dbraw/zinc/40/95/77/407409577.db2.gz CGWSFJCJJQWQQH-CYBMUJFWSA-N 2 2 304.781 1.969 50 0 DDAALP Cc1[nH]ncc1C[NH2+]CCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000225331454 407581630 /nfs/dbraw/zinc/58/16/30/407581630.db2.gz LZWLLBXMNZSGMD-SFHVURJKSA-N 2 2 313.449 1.796 50 0 DDAALP CSCC[C@H]([NH3+])C(=O)N1CCC(Oc2cc[nH+]cc2)CC1 ZINC000299766588 410615011 /nfs/dbraw/zinc/61/50/11/410615011.db2.gz QVWGLITXOVMZFL-AWEZNQCLSA-N 2 2 309.435 1.532 50 0 DDAALP Cc1ccc(OCCCON2C(=[NH2+])NC(=[NH2+])NC2(C)C)cc1C ZINC000045191102 418437619 /nfs/dbraw/zinc/43/76/19/418437619.db2.gz FTUYWBSPPJULMZ-UHFFFAOYSA-N 2 2 319.409 1.685 50 0 DDAALP C[NH+]1CCC([N@@H+]2CCC[C@@H](NC(=O)c3cccnc3)C2)CC1 ZINC000012476048 696049959 /nfs/dbraw/zinc/04/99/59/696049959.db2.gz XYOMIMHYNLNZOL-OAHLLOKOSA-N 2 2 302.422 1.370 50 0 DDAALP C[NH+]1CCC([N@H+]2CCC[C@@H](NC(=O)c3cccnc3)C2)CC1 ZINC000012476048 696049961 /nfs/dbraw/zinc/04/99/61/696049961.db2.gz XYOMIMHYNLNZOL-OAHLLOKOSA-N 2 2 302.422 1.370 50 0 DDAALP CN1CC[N@H+](C)C[C@@H]1CC[NH+](C)Cc1[nH]nc2c1CCCCC2 ZINC000020448767 696070898 /nfs/dbraw/zinc/07/08/98/696070898.db2.gz BEXQGSLPGWOQFR-HNNXBMFYSA-N 2 2 319.497 1.746 50 0 DDAALP CN1CC[N@@H+](C)C[C@@H]1CC[NH+](C)Cc1[nH]nc2c1CCCCC2 ZINC000020448767 696070903 /nfs/dbraw/zinc/07/09/03/696070903.db2.gz BEXQGSLPGWOQFR-HNNXBMFYSA-N 2 2 319.497 1.746 50 0 DDAALP CN1CC[NH+](C)C[C@@H]1CC[N@H+](C)Cc1[nH]nc2c1CCCCC2 ZINC000020448767 696070906 /nfs/dbraw/zinc/07/09/06/696070906.db2.gz BEXQGSLPGWOQFR-HNNXBMFYSA-N 2 2 319.497 1.746 50 0 DDAALP CN1CC[NH+](C)C[C@@H]1CC[N@@H+](C)Cc1[nH]nc2c1CCCCC2 ZINC000020448767 696070910 /nfs/dbraw/zinc/07/09/10/696070910.db2.gz BEXQGSLPGWOQFR-HNNXBMFYSA-N 2 2 319.497 1.746 50 0 DDAALP COCCn1c[nH+]cc1CN1CCC([NH+]2CCSCC2)CC1 ZINC000244678623 697821521 /nfs/dbraw/zinc/82/15/21/697821521.db2.gz IHAZUNVYRLNWDO-UHFFFAOYSA-N 2 2 324.494 1.543 50 0 DDAALP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1coc(-c2ccccc2)n1 ZINC000828116134 759474981 /nfs/dbraw/zinc/47/49/81/759474981.db2.gz UIFFHFAOPMLBFD-AWEZNQCLSA-N 2 2 311.345 1.251 50 0 DDAALP C[C@H](C(=O)N[C@H]1CCc2[nH+]ccn2C1)[N@@H+]1CCc2ccccc2C1 ZINC000078927809 185129618 /nfs/dbraw/zinc/12/96/18/185129618.db2.gz RGZBJANEXACSTR-PBHICJAKSA-N 2 2 324.428 1.761 50 0 DDAALP C[C@H](C(=O)N[C@H]1CCc2[nH+]ccn2C1)[N@H+]1CCc2ccccc2C1 ZINC000078927809 185129619 /nfs/dbraw/zinc/12/96/19/185129619.db2.gz RGZBJANEXACSTR-PBHICJAKSA-N 2 2 324.428 1.761 50 0 DDAALP CCN1CCO[C@@H](C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000072268802 353195664 /nfs/dbraw/zinc/19/56/64/353195664.db2.gz RYRXLWOYLKLJNN-KRWDZBQOSA-N 2 2 300.406 1.683 50 0 DDAALP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1c(C)nn(CCO)c1C)CCC2 ZINC000089702107 353778692 /nfs/dbraw/zinc/77/86/92/353778692.db2.gz DOVDHVNFBGPVHE-OAHLLOKOSA-N 2 2 317.437 1.664 50 0 DDAALP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)CCO1 ZINC000097200619 353918224 /nfs/dbraw/zinc/91/82/24/353918224.db2.gz IVJSZPTVXFZNIP-HUUCEWRRSA-N 2 2 318.421 1.063 50 0 DDAALP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)CCO1 ZINC000097200619 353918226 /nfs/dbraw/zinc/91/82/26/353918226.db2.gz IVJSZPTVXFZNIP-HUUCEWRRSA-N 2 2 318.421 1.063 50 0 DDAALP O=C(C1CC[NH2+]CC1)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000237877918 202377052 /nfs/dbraw/zinc/37/70/52/202377052.db2.gz QFERNFASRVRGCO-UHFFFAOYSA-N 2 2 321.852 1.984 50 0 DDAALP CCn1cc[nH+]c1[C@@H]1CCC[N@H+](CCCn2nnnc2C)C1 ZINC000091364620 193046037 /nfs/dbraw/zinc/04/60/37/193046037.db2.gz CYIZKQNNQWOAPL-CQSZACIVSA-N 2 2 303.414 1.468 50 0 DDAALP CCn1cc[nH+]c1[C@@H]1CCC[N@@H+](CCCn2nnnc2C)C1 ZINC000091364620 193046040 /nfs/dbraw/zinc/04/60/40/193046040.db2.gz CYIZKQNNQWOAPL-CQSZACIVSA-N 2 2 303.414 1.468 50 0 DDAALP OC[C@H]1C[N@H+](Cc2cccnc2)C[C@H]1C[NH+]1CCCCCC1 ZINC000091829606 193112899 /nfs/dbraw/zinc/11/28/99/193112899.db2.gz YFIKXCRKVJXBSQ-QZTJIDSGSA-N 2 2 303.450 1.998 50 0 DDAALP OC[C@H]1C[N@@H+](Cc2cccnc2)C[C@H]1C[NH+]1CCCCCC1 ZINC000091829606 193112901 /nfs/dbraw/zinc/11/29/01/193112901.db2.gz YFIKXCRKVJXBSQ-QZTJIDSGSA-N 2 2 303.450 1.998 50 0 DDAALP Cc1ccc(OC[C@H](O)C[NH2+]CCC[NH+]2CCOCC2)cc1 ZINC000006936264 406745014 /nfs/dbraw/zinc/74/50/14/406745014.db2.gz VQGHYFQAQLESLH-MRXNPFEDSA-N 2 2 308.422 1.047 50 0 DDAALP O=C(/C=C/c1ccccc1)N1CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000075158007 406924566 /nfs/dbraw/zinc/92/45/66/406924566.db2.gz YQBWHMPGYWIRLW-VOTSOKGWSA-N 2 2 310.401 1.741 50 0 DDAALP Cc1n[nH]cc1C[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000097159396 407284081 /nfs/dbraw/zinc/28/40/81/407284081.db2.gz RQKSNBFYCZDCOM-QGZVFWFLSA-N 2 2 300.406 1.227 50 0 DDAALP Cc1n[nH]cc1C[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000097159396 407284082 /nfs/dbraw/zinc/28/40/82/407284082.db2.gz RQKSNBFYCZDCOM-QGZVFWFLSA-N 2 2 300.406 1.227 50 0 DDAALP O=C(C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)Nc1nccs1 ZINC000097200630 407286660 /nfs/dbraw/zinc/28/66/60/407286660.db2.gz JVCJQUDXOPSCLT-GFCCVEGCSA-N 2 2 317.418 1.911 50 0 DDAALP O=C(C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)Nc1nccs1 ZINC000097200630 407286662 /nfs/dbraw/zinc/28/66/62/407286662.db2.gz JVCJQUDXOPSCLT-GFCCVEGCSA-N 2 2 317.418 1.911 50 0 DDAALP C[NH2+]C[C@H]1CCN(C(=O)/C=C/c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000178987703 407681901 /nfs/dbraw/zinc/68/19/01/407681901.db2.gz WRIIQPKWKKMDPD-IEXSPKMKSA-N 2 2 310.401 1.953 50 0 DDAALP NC(=O)COc1ccc(C[NH2+]C[C@@H]2CCCn3cc[nH+]c32)cc1 ZINC000084403218 483995289 /nfs/dbraw/zinc/99/52/89/483995289.db2.gz VQLCIVRIMNSDGC-AWEZNQCLSA-N 2 2 314.389 1.414 50 0 DDAALP CNC(=O)C[NH+]1CCC(CN(C)c2nc(C)[nH+]c(C)c2C)CC1 ZINC000095416541 185359063 /nfs/dbraw/zinc/35/90/63/185359063.db2.gz NSHFFOMNTZHSRV-UHFFFAOYSA-N 2 2 319.453 1.296 50 0 DDAALP COC(=O)CC1([NH2+]Cc2ccc(F)c(OC)c2)CC[NH+](C)CC1 ZINC000095437409 185365540 /nfs/dbraw/zinc/36/55/40/185365540.db2.gz WBXQUBDBJVWFQB-UHFFFAOYSA-N 2 2 324.396 1.951 50 0 DDAALP Cc1nn(C)c(C)c1C[NH+]1CCC([NH+]2CCC(O)CC2)CC1 ZINC000072407147 191152691 /nfs/dbraw/zinc/15/26/91/191152691.db2.gz YMEJTBDMSLMNGS-UHFFFAOYSA-N 2 2 306.454 1.458 50 0 DDAALP C[C@@H]1C[N@@H+](C[C@@H]2C[NH+](Cc3ccncc3)C[C@@H]2CO)C[C@H](C)O1 ZINC000092097876 193156799 /nfs/dbraw/zinc/15/67/99/193156799.db2.gz ZOBUHCHTGXZPFG-CYGHRXIMSA-N 2 2 319.449 1.231 50 0 DDAALP C[C@@H]1C[N@H+](C[C@@H]2C[NH+](Cc3ccncc3)C[C@@H]2CO)C[C@H](C)O1 ZINC000092097876 193156800 /nfs/dbraw/zinc/15/68/00/193156800.db2.gz ZOBUHCHTGXZPFG-CYGHRXIMSA-N 2 2 319.449 1.231 50 0 DDAALP C[C@@H]1C[NH+](C[C@@H]2C[N@H+](Cc3ccncc3)C[C@@H]2CO)C[C@H](C)O1 ZINC000092097876 193156802 /nfs/dbraw/zinc/15/68/02/193156802.db2.gz ZOBUHCHTGXZPFG-CYGHRXIMSA-N 2 2 319.449 1.231 50 0 DDAALP C[C@@H]1C[NH+](C[C@@H]2C[N@@H+](Cc3ccncc3)C[C@@H]2CO)C[C@H](C)O1 ZINC000092097876 193156804 /nfs/dbraw/zinc/15/68/04/193156804.db2.gz ZOBUHCHTGXZPFG-CYGHRXIMSA-N 2 2 319.449 1.231 50 0 DDAALP COCC1(CNc2cc(C3CC([NH3+])C3)[nH+]c(N)n2)CCCC1 ZINC000223319293 407568874 /nfs/dbraw/zinc/56/88/74/407568874.db2.gz HFIXNACOGQJDCO-UHFFFAOYSA-N 2 2 305.426 1.882 50 0 DDAALP Cc1[nH+]ccn1-c1cc(NCCNC(=O)c2ccco2)[nH+]cn1 ZINC000035598167 406973443 /nfs/dbraw/zinc/97/34/43/406973443.db2.gz YVSXUKCOMDYJAB-UHFFFAOYSA-N 2 2 312.333 1.406 50 0 DDAALP COCCn1cc(C[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)cn1 ZINC000089702146 407144499 /nfs/dbraw/zinc/14/44/99/407144499.db2.gz NLRAYCSMXYPVCA-HNNXBMFYSA-N 2 2 303.410 1.702 50 0 DDAALP O=C(NCCCn1cc[nH+]c1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000089884976 407155564 /nfs/dbraw/zinc/15/55/64/407155564.db2.gz OJSCMJBCGRLWJE-OAHLLOKOSA-N 2 2 315.377 1.531 50 0 DDAALP Cn1c(Cn2cc[nH+]c2)nnc1[C@@H]1CCCN(c2cc[nH+]cc2)C1 ZINC000095367051 407209694 /nfs/dbraw/zinc/20/96/94/407209694.db2.gz DSUKRHBVZCYSFG-CQSZACIVSA-N 2 2 323.404 1.839 50 0 DDAALP CCOC(=O)CC[NH+]1CCC([NH2+]C[C@](C)(CC)[C@@H](C)O)CC1 ZINC000095986491 407221439 /nfs/dbraw/zinc/22/14/39/407221439.db2.gz OTQWNYDLXGUBQW-PBHICJAKSA-N 2 2 314.470 1.791 50 0 DDAALP C[C@@H]1C[C@H](Nc2cnn(CC[NH+]3CCOCC3)c2)C[N@@H+]1C1CC1 ZINC000096493820 407272172 /nfs/dbraw/zinc/27/21/72/407272172.db2.gz CHTOXKQMRVXJJI-CABCVRRESA-N 2 2 319.453 1.252 50 0 DDAALP C[C@@H]1C[C@H](Nc2cnn(CC[NH+]3CCOCC3)c2)C[N@H+]1C1CC1 ZINC000096493820 407272174 /nfs/dbraw/zinc/27/21/74/407272174.db2.gz CHTOXKQMRVXJJI-CABCVRRESA-N 2 2 319.453 1.252 50 0 DDAALP CCn1c(C[NH+]2CCC(CCOC)CC2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000244673711 407931613 /nfs/dbraw/zinc/93/16/13/407931613.db2.gz HUIGHVQOAGUEQK-GASCZTMLSA-N 2 2 321.469 1.751 50 0 DDAALP Nc1nc(NCCOc2ccccc2F)cc([C@H]2C[C@@H]([NH3+])C2)[nH+]1 ZINC000244873490 407941544 /nfs/dbraw/zinc/94/15/44/407941544.db2.gz WRFJLYUTUDNCQG-PHIMTYICSA-N 2 2 317.368 1.894 50 0 DDAALP Cc1c(NC2CC[NH+](C)CC2)nc[nH+]c1NC1CC[NH+](C)CC1 ZINC000408524634 418808942 /nfs/dbraw/zinc/80/89/42/418808942.db2.gz WWLUDMKOTBNOCM-UHFFFAOYSA-N 3 2 318.469 1.797 50 0 DDAALP Nc1nc(N2CCOC3(CCCC3)C2)cc(C2CC([NH3+])C2)[nH+]1 ZINC000220166543 484149476 /nfs/dbraw/zinc/14/94/76/484149476.db2.gz YPBKNXWLQLDWMJ-UHFFFAOYSA-N 2 2 303.410 1.413 50 0 DDAALP COc1cc(N2CCC[N@H+](Cc3cccs3)CC2)nc(N)[nH+]1 ZINC000095525108 185378172 /nfs/dbraw/zinc/37/81/72/185378172.db2.gz MXCHEUGXONIADP-UHFFFAOYSA-N 2 2 319.434 1.841 50 0 DDAALP COc1cc(N2CCC[N@@H+](Cc3cccs3)CC2)nc(N)[nH+]1 ZINC000095525108 185378173 /nfs/dbraw/zinc/37/81/73/185378173.db2.gz MXCHEUGXONIADP-UHFFFAOYSA-N 2 2 319.434 1.841 50 0 DDAALP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)c2nnc(C)o2)nc[nH+]1 ZINC000072276617 191099149 /nfs/dbraw/zinc/09/91/49/191099149.db2.gz HATKXZQJMCDCPK-PWSUYJOCSA-N 2 2 317.397 1.529 50 0 DDAALP C[C@@H](C(=O)NC(N)=O)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000072868651 191245445 /nfs/dbraw/zinc/24/54/45/191245445.db2.gz LRQIGJYLPWOGCB-ZFWWWQNUSA-N 2 2 318.421 1.024 50 0 DDAALP C[C@@H](C(=O)NC(N)=O)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000072868651 191245448 /nfs/dbraw/zinc/24/54/48/191245448.db2.gz LRQIGJYLPWOGCB-ZFWWWQNUSA-N 2 2 318.421 1.024 50 0 DDAALP C[C@@H](C(=O)NC(N)=O)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000072868651 191245452 /nfs/dbraw/zinc/24/54/52/191245452.db2.gz LRQIGJYLPWOGCB-ZFWWWQNUSA-N 2 2 318.421 1.024 50 0 DDAALP C[C@@H](C(=O)NC(N)=O)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000072868651 191245454 /nfs/dbraw/zinc/24/54/54/191245454.db2.gz LRQIGJYLPWOGCB-ZFWWWQNUSA-N 2 2 318.421 1.024 50 0 DDAALP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H]1CCC2(CCCC2)O1 ZINC000585136516 354812786 /nfs/dbraw/zinc/81/27/86/354812786.db2.gz IYUXSCSGIXAIDI-HNNXBMFYSA-N 2 2 309.454 1.184 50 0 DDAALP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H]1CCC2(CCCC2)O1 ZINC000585136516 354812788 /nfs/dbraw/zinc/81/27/88/354812788.db2.gz IYUXSCSGIXAIDI-HNNXBMFYSA-N 2 2 309.454 1.184 50 0 DDAALP Cc1cc(F)ccc1C[N@@H+]1C[C@H](CO)[C@H](C[NH+]2CCOCC2)C1 ZINC000091746716 193101170 /nfs/dbraw/zinc/10/11/70/193101170.db2.gz LCSIZLGPJIBJFB-IAGOWNOFSA-N 2 2 322.424 1.507 50 0 DDAALP Cc1cc(F)ccc1C[N@H+]1C[C@H](CO)[C@H](C[NH+]2CCOCC2)C1 ZINC000091746716 193101171 /nfs/dbraw/zinc/10/11/71/193101171.db2.gz LCSIZLGPJIBJFB-IAGOWNOFSA-N 2 2 322.424 1.507 50 0 DDAALP COc1cc(C[NH2+]CC[NH2+]CCO)cc(Cl)c1OC(C)C ZINC000040719616 183123940 /nfs/dbraw/zinc/12/39/40/183123940.db2.gz UVRMOOYHBCUQDC-UHFFFAOYSA-N 2 2 316.829 1.807 50 0 DDAALP O=C(Cc1cn2ccccc2[nH+]1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000069657294 406751835 /nfs/dbraw/zinc/75/18/35/406751835.db2.gz BGYALLWLZLJFDC-OAHLLOKOSA-N 2 2 309.373 1.937 50 0 DDAALP CCOc1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCC[N@@H+]2CC)cc1 ZINC000025538604 406898951 /nfs/dbraw/zinc/89/89/51/406898951.db2.gz JVXSYAHNRVHKSR-HOTGVXAUSA-N 2 2 322.449 1.899 50 0 DDAALP CCOc1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCC[N@H+]2CC)cc1 ZINC000025538604 406898953 /nfs/dbraw/zinc/89/89/53/406898953.db2.gz JVXSYAHNRVHKSR-HOTGVXAUSA-N 2 2 322.449 1.899 50 0 DDAALP O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)NCc1[nH]cc[nH+]1 ZINC000096444708 407267290 /nfs/dbraw/zinc/26/72/90/407267290.db2.gz KZGDUFRAQUHIBN-OAHLLOKOSA-N 2 2 314.389 1.317 50 0 DDAALP O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)NCc1[nH]cc[nH+]1 ZINC000096444708 407267292 /nfs/dbraw/zinc/26/72/92/407267292.db2.gz KZGDUFRAQUHIBN-OAHLLOKOSA-N 2 2 314.389 1.317 50 0 DDAALP COCCn1cc[nH+]c1CN1CC[NH+](C2CCSCC2)CC1 ZINC000216296881 407496038 /nfs/dbraw/zinc/49/60/38/407496038.db2.gz ZAWWHWULBQZGLK-UHFFFAOYSA-N 2 2 324.494 1.543 50 0 DDAALP Cc1[nH+]ccn1CCC[N@@H+]1CCNC(=O)[C@@H]1c1cccc(F)c1 ZINC000243914786 407921095 /nfs/dbraw/zinc/92/10/95/407921095.db2.gz BKSANJAIYQVPES-INIZCTEOSA-N 2 2 316.380 1.894 50 0 DDAALP Cc1[nH+]ccn1CCC[N@H+]1CCNC(=O)[C@@H]1c1cccc(F)c1 ZINC000243914786 407921099 /nfs/dbraw/zinc/92/10/99/407921099.db2.gz BKSANJAIYQVPES-INIZCTEOSA-N 2 2 316.380 1.894 50 0 DDAALP CC1CC[NH+](C[C@H](O)C[N@@H+]2CCC[C@H]2c2cnn(C)c2)CC1 ZINC000247108398 408409638 /nfs/dbraw/zinc/40/96/38/408409638.db2.gz ITLMIAZDZAMXGN-IRXDYDNUSA-N 2 2 306.454 1.650 50 0 DDAALP CC1CC[NH+](C[C@H](O)C[N@H+]2CCC[C@H]2c2cnn(C)c2)CC1 ZINC000247108398 408409643 /nfs/dbraw/zinc/40/96/43/408409643.db2.gz ITLMIAZDZAMXGN-IRXDYDNUSA-N 2 2 306.454 1.650 50 0 DDAALP Cn1cc[nH+]c1[C@@H](NC(=O)c1cccc(OCC[NH3+])c1)C1CC1 ZINC000426642910 419524211 /nfs/dbraw/zinc/52/42/11/419524211.db2.gz OGAGOTLGZDZTAJ-HNNXBMFYSA-N 2 2 314.389 1.639 50 0 DDAALP CCOC(=O)N1CC[C@@H]([NH2+]Cc2c[nH+]c3c(C)cccn23)C1 ZINC000185784073 263394766 /nfs/dbraw/zinc/39/47/66/263394766.db2.gz NDCQLGMEDHFPJZ-CYBMUJFWSA-N 2 2 302.378 1.963 50 0 DDAALP Nc1nc(NCC2(Cn3cccn3)CC2)cc(C2CC([NH3+])C2)[nH+]1 ZINC000219300004 545651172 /nfs/dbraw/zinc/65/11/72/545651172.db2.gz VBZUTDITKRNHLF-UHFFFAOYSA-N 2 2 313.409 1.352 50 0 DDAALP C[NH+]1CCC([N@@H+]2CCC[C@@H](NC(=O)c3cscn3)C2)CC1 ZINC000014958982 696056624 /nfs/dbraw/zinc/05/66/24/696056624.db2.gz CLGVTFKCDGGUJC-GFCCVEGCSA-N 2 2 308.451 1.432 50 0 DDAALP C[NH+]1CCC([N@H+]2CCC[C@@H](NC(=O)c3cscn3)C2)CC1 ZINC000014958982 696056626 /nfs/dbraw/zinc/05/66/26/696056626.db2.gz CLGVTFKCDGGUJC-GFCCVEGCSA-N 2 2 308.451 1.432 50 0 DDAALP Cc1nn(C)c2nc[nH+]c(N(C)C[C@H](C)C[NH+]3CCCC3)c12 ZINC000072428643 191161197 /nfs/dbraw/zinc/16/11/97/191161197.db2.gz UTRVBJIOHGXJEF-LBPRGKRZSA-N 2 2 302.426 1.840 50 0 DDAALP Cc1nc[nH]c1C[N@H+]1CCC[C@H](c2nnc(C[NH+](C)C)n2C)C1 ZINC000072456854 191172978 /nfs/dbraw/zinc/17/29/78/191172978.db2.gz HYUSLNKGCLNGGP-ZDUSSCGKSA-N 2 2 317.441 1.288 50 0 DDAALP Cc1nc[nH]c1C[N@@H+]1CCC[C@H](c2nnc(C[NH+](C)C)n2C)C1 ZINC000072456854 191172981 /nfs/dbraw/zinc/17/29/81/191172981.db2.gz HYUSLNKGCLNGGP-ZDUSSCGKSA-N 2 2 317.441 1.288 50 0 DDAALP C[NH+](C)CC(=O)NC(C)(C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000097104320 353917950 /nfs/dbraw/zinc/91/79/50/353917950.db2.gz OSUPXUVDRNCAEU-UHFFFAOYSA-N 2 2 318.465 1.265 50 0 DDAALP COc1cc(C)ccc1OCC[N@@H+]1CC[C@@]2(O)CC[NH2+]C[C@H]2C1 ZINC000091644551 193084289 /nfs/dbraw/zinc/08/42/89/193084289.db2.gz XVGGIKCSZDBOBQ-YJBOKZPZSA-N 2 2 320.433 1.429 50 0 DDAALP COc1cc(C)ccc1OCC[N@H+]1CC[C@@]2(O)CC[NH2+]C[C@H]2C1 ZINC000091644551 193084291 /nfs/dbraw/zinc/08/42/91/193084291.db2.gz XVGGIKCSZDBOBQ-YJBOKZPZSA-N 2 2 320.433 1.429 50 0 DDAALP Nc1ncccc1C[N@@H+]1C[C@H](CO)[C@H](C[NH+]2CCCCC2)C1 ZINC000091714016 193096361 /nfs/dbraw/zinc/09/63/61/193096361.db2.gz YPQHILSKDMPSJR-HZPDHXFCSA-N 2 2 304.438 1.190 50 0 DDAALP Nc1ncccc1C[N@H+]1C[C@H](CO)[C@H](C[NH+]2CCCCC2)C1 ZINC000091714016 193096362 /nfs/dbraw/zinc/09/63/62/193096362.db2.gz YPQHILSKDMPSJR-HZPDHXFCSA-N 2 2 304.438 1.190 50 0 DDAALP COc1ccc(C[N@@H+]2C[C@H](CO)[C@H](C[NH+]3CCCC3)C2)cc1O ZINC000091894195 193122727 /nfs/dbraw/zinc/12/27/27/193122727.db2.gz SMNKXAQNYWENDZ-HZPDHXFCSA-N 2 2 320.433 1.537 50 0 DDAALP COc1ccc(C[N@H+]2C[C@H](CO)[C@H](C[NH+]3CCCC3)C2)cc1O ZINC000091894195 193122728 /nfs/dbraw/zinc/12/27/28/193122728.db2.gz SMNKXAQNYWENDZ-HZPDHXFCSA-N 2 2 320.433 1.537 50 0 DDAALP CC[NH+]1CCN(C2=[NH+]CCN2C(=O)c2ccc(F)cc2)CC1 ZINC000064677780 184302560 /nfs/dbraw/zinc/30/25/60/184302560.db2.gz RJNJAJAMQWSBGV-UHFFFAOYSA-N 2 2 304.369 1.275 50 0 DDAALP C[N@H+](CC(=O)N1CCC2(CC[NH+](C)C2)CC1)Cc1cccnc1 ZINC000065382982 184332511 /nfs/dbraw/zinc/33/25/11/184332511.db2.gz HRCPIRUFUTZWJO-UHFFFAOYSA-N 2 2 316.449 1.458 50 0 DDAALP C[N@@H+](CC(=O)N1CCC2(CC[NH+](C)C2)CC1)Cc1cccnc1 ZINC000065382982 184332512 /nfs/dbraw/zinc/33/25/12/184332512.db2.gz HRCPIRUFUTZWJO-UHFFFAOYSA-N 2 2 316.449 1.458 50 0 DDAALP C[NH+](CC(=O)N1CCC2(CC[N@H+](C)C2)CC1)Cc1cccnc1 ZINC000065382982 184332513 /nfs/dbraw/zinc/33/25/13/184332513.db2.gz HRCPIRUFUTZWJO-UHFFFAOYSA-N 2 2 316.449 1.458 50 0 DDAALP C[NH+](CC(=O)N1CCC2(CC[N@@H+](C)C2)CC1)Cc1cccnc1 ZINC000065382982 184332514 /nfs/dbraw/zinc/33/25/14/184332514.db2.gz HRCPIRUFUTZWJO-UHFFFAOYSA-N 2 2 316.449 1.458 50 0 DDAALP CC(C)[NH+]1CCC(N(C)c2[nH+]cnc3c2cnn3CCO)CC1 ZINC000065541075 184363209 /nfs/dbraw/zinc/36/32/09/184363209.db2.gz LRTDGFNBZLNATJ-UHFFFAOYSA-N 2 2 318.425 1.128 50 0 DDAALP c1cnn(C[C@@H]2C[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)CCO2)c1 ZINC000069418033 406709716 /nfs/dbraw/zinc/70/97/16/406709716.db2.gz PNACSBAXHYSTCM-SFHVURJKSA-N 2 2 323.400 1.970 50 0 DDAALP c1cnn(C[C@@H]2C[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)CCO2)c1 ZINC000069418033 406709723 /nfs/dbraw/zinc/70/97/23/406709723.db2.gz PNACSBAXHYSTCM-SFHVURJKSA-N 2 2 323.400 1.970 50 0 DDAALP O=C1NCCCC[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000003683529 406720197 /nfs/dbraw/zinc/72/01/97/406720197.db2.gz IIKXWVZLHFUZQD-QGZVFWFLSA-N 2 2 301.434 1.909 50 0 DDAALP C[N@H+]1Cc2nnc(C3CCOCC3)n2[C@H](Cc2c[nH]c[nH+]2)C1 ZINC000072147315 406873623 /nfs/dbraw/zinc/87/36/23/406873623.db2.gz HNNITKCAIXXTGF-CYBMUJFWSA-N 2 2 302.382 1.124 50 0 DDAALP C[N@@H+]1Cc2nnc(C3CCOCC3)n2[C@H](Cc2c[nH]c[nH+]2)C1 ZINC000072147315 406873626 /nfs/dbraw/zinc/87/36/26/406873626.db2.gz HNNITKCAIXXTGF-CYBMUJFWSA-N 2 2 302.382 1.124 50 0 DDAALP CN(Cc1[nH+]ccn1C)C(=O)[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000095383038 407212268 /nfs/dbraw/zinc/21/22/68/407212268.db2.gz NIZLWZBUCCMUAS-HNNXBMFYSA-N 2 2 304.369 1.821 50 0 DDAALP C[N@H+](CC(=O)N1CCC[C@]2(CC[NH2+]C2)C1)Cc1ccncc1 ZINC000067769492 407283499 /nfs/dbraw/zinc/28/34/99/407283499.db2.gz IZIJUHUEVMLRQF-QGZVFWFLSA-N 2 2 302.422 1.116 50 0 DDAALP C[N@@H+](CC(=O)N1CCC[C@]2(CC[NH2+]C2)C1)Cc1ccncc1 ZINC000067769492 407283501 /nfs/dbraw/zinc/28/35/01/407283501.db2.gz IZIJUHUEVMLRQF-QGZVFWFLSA-N 2 2 302.422 1.116 50 0 DDAALP OC1(Cn2cc[nH+]c2)CC[NH+](Cc2cccc3nonc32)CC1 ZINC000097772791 407302374 /nfs/dbraw/zinc/30/23/74/407302374.db2.gz MGSHKHLSRJGNPX-UHFFFAOYSA-N 2 2 313.361 1.446 50 0 DDAALP Cc1nc(CN(C)c2cc(C3CC([NH3+])C3)[nH+]c(N)n2)cs1 ZINC000219629575 407531569 /nfs/dbraw/zinc/53/15/69/407531569.db2.gz IEBXBXUPRFYTTK-UHFFFAOYSA-N 2 2 304.423 1.665 50 0 DDAALP Cc1n[nH]c(C)c1CN(C)c1cc(C2CC([NH3+])C2)[nH+]c(N)n1 ZINC000219676830 407532684 /nfs/dbraw/zinc/53/26/84/407532684.db2.gz GUYQSGUHXXEZNZ-UHFFFAOYSA-N 2 2 301.398 1.240 50 0 DDAALP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000242284647 407916450 /nfs/dbraw/zinc/91/64/50/407916450.db2.gz YINLLIUNQHMXNG-IAGOWNOFSA-N 2 2 312.417 1.567 50 0 DDAALP CCc1[nH+]ccn1CC(=O)NC[C@@H]1Cc2ccccc2C[N@@H+]1C ZINC000244633579 407927558 /nfs/dbraw/zinc/92/75/58/407927558.db2.gz GFJYZLKZPQYEQF-INIZCTEOSA-N 2 2 312.417 1.618 50 0 DDAALP CCc1[nH+]ccn1CC(=O)NC[C@@H]1Cc2ccccc2C[N@H+]1C ZINC000244633579 407927565 /nfs/dbraw/zinc/92/75/65/407927565.db2.gz GFJYZLKZPQYEQF-INIZCTEOSA-N 2 2 312.417 1.618 50 0 DDAALP CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCN(c3cccc[nH+]3)C2)C1 ZINC000249691546 408755084 /nfs/dbraw/zinc/75/50/84/408755084.db2.gz LPAQTRNGWBGYNS-HOTGVXAUSA-N 2 2 316.449 1.899 50 0 DDAALP CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCN(c3cccc[nH+]3)C2)C1 ZINC000249691546 408755085 /nfs/dbraw/zinc/75/50/85/408755085.db2.gz LPAQTRNGWBGYNS-HOTGVXAUSA-N 2 2 316.449 1.899 50 0 DDAALP O=C(NCCc1c[nH+]c[nH]1)N1CC[NH+](C2CCCCC2)CC1 ZINC000426397628 419456654 /nfs/dbraw/zinc/45/66/54/419456654.db2.gz SYMVKHQWZGCQOJ-UHFFFAOYSA-N 2 2 305.426 1.612 50 0 DDAALP O=C(NCCc1c[nH]c[nH+]1)N1CC[NH+](C2CCCCC2)CC1 ZINC000426397628 419456659 /nfs/dbraw/zinc/45/66/59/419456659.db2.gz SYMVKHQWZGCQOJ-UHFFFAOYSA-N 2 2 305.426 1.612 50 0 DDAALP Cc1nc(N[C@H]2[C@H]3CCO[C@H]3[C@@H]2[NH+]2CCCC2)c2c([nH+]1)CCC2 ZINC000219122721 282014200 /nfs/dbraw/zinc/01/42/00/282014200.db2.gz WGCQFYWHVZALKW-XLNGHYISSA-N 2 2 314.433 1.937 50 0 DDAALP CC(C)[N@@H+]1CCC[C@@H](c2nnc(C[NH+]3CCC(O)CC3)n2C)C1 ZINC000072447274 191168570 /nfs/dbraw/zinc/16/85/70/191168570.db2.gz OBJHMJSPLMDKBD-CQSZACIVSA-N 2 2 321.469 1.360 50 0 DDAALP CC(C)[N@H+]1CCC[C@@H](c2nnc(C[NH+]3CCC(O)CC3)n2C)C1 ZINC000072447274 191168571 /nfs/dbraw/zinc/16/85/71/191168571.db2.gz OBJHMJSPLMDKBD-CQSZACIVSA-N 2 2 321.469 1.360 50 0 DDAALP CCCn1cc[nH+]c1CN1CC[N@H+](C)[C@]2(C1)CCNC(=O)CC2 ZINC000091461820 193059446 /nfs/dbraw/zinc/05/94/46/193059446.db2.gz VFXLXBOBGBLQHS-KRWDZBQOSA-N 2 2 319.453 1.079 50 0 DDAALP CCCn1cc[nH+]c1CN1CC[N@@H+](C)[C@]2(C1)CCNC(=O)CC2 ZINC000091461820 193059447 /nfs/dbraw/zinc/05/94/47/193059447.db2.gz VFXLXBOBGBLQHS-KRWDZBQOSA-N 2 2 319.453 1.079 50 0 DDAALP CCOc1cc(C[NH2+]CC[NH2+]CCO)cc(Cl)c1OCC ZINC000022076035 182308312 /nfs/dbraw/zinc/30/83/12/182308312.db2.gz IZWGFYXXJSQIBV-UHFFFAOYSA-N 2 2 316.829 1.809 50 0 DDAALP C[C@@H](NC(=O)CCn1cc[nH+]c1)C1([NH+]2CCOCC2)CCCC1 ZINC000095406971 407213392 /nfs/dbraw/zinc/21/33/92/407213392.db2.gz YVVHHCHWZCKLEK-OAHLLOKOSA-N 2 2 320.437 1.423 50 0 DDAALP CC[C@@H]1CN(S(=O)(=O)C(C)C)CC[C@@H]1[NH2+]Cc1c[nH+]c[nH]1 ZINC000095961657 407217822 /nfs/dbraw/zinc/21/78/22/407217822.db2.gz MIZSNKODKAZPEO-OCCSQVGLSA-N 2 2 314.455 1.338 50 0 DDAALP C[C@H](C(=O)NCC(F)(F)F)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000095972690 407219485 /nfs/dbraw/zinc/21/94/85/407219485.db2.gz WAUHAPFBSPARSF-ZJUUUORDSA-N 2 2 304.316 1.656 50 0 DDAALP C[C@H](C(=O)NCC(F)(F)F)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000095972690 407219487 /nfs/dbraw/zinc/21/94/87/407219487.db2.gz WAUHAPFBSPARSF-ZJUUUORDSA-N 2 2 304.316 1.656 50 0 DDAALP C[NH+]1CCC(CNC(=O)c2ccc[nH]2)([NH+]2CCCCC2)CC1 ZINC000096426774 407264426 /nfs/dbraw/zinc/26/44/26/407264426.db2.gz MYWRMMBAIYLNTF-UHFFFAOYSA-N 2 2 304.438 1.695 50 0 DDAALP CSc1ncc(C[N@H+](C)C[C@H]2CCC[NH+](CCO)C2)cn1 ZINC000215614514 407487943 /nfs/dbraw/zinc/48/79/43/407487943.db2.gz MCAUPYHLGRBNCZ-CYBMUJFWSA-N 2 2 310.467 1.335 50 0 DDAALP CSc1ncc(C[N@@H+](C)C[C@H]2CCC[NH+](CCO)C2)cn1 ZINC000215614514 407487949 /nfs/dbraw/zinc/48/79/49/407487949.db2.gz MCAUPYHLGRBNCZ-CYBMUJFWSA-N 2 2 310.467 1.335 50 0 DDAALP CSc1ncc(C[NH+](C)C[C@H]2CCC[N@H+](CCO)C2)cn1 ZINC000215614514 407487954 /nfs/dbraw/zinc/48/79/54/407487954.db2.gz MCAUPYHLGRBNCZ-CYBMUJFWSA-N 2 2 310.467 1.335 50 0 DDAALP CSc1ncc(C[NH+](C)C[C@H]2CCC[N@@H+](CCO)C2)cn1 ZINC000215614514 407487961 /nfs/dbraw/zinc/48/79/61/407487961.db2.gz MCAUPYHLGRBNCZ-CYBMUJFWSA-N 2 2 310.467 1.335 50 0 DDAALP CC(=O)NC1CCC([NH2+]Cc2cccnc2-n2cc[nH+]c2)CC1 ZINC000132506378 196261614 /nfs/dbraw/zinc/26/16/14/196261614.db2.gz FHYATGPHANROAV-UHFFFAOYSA-N 2 2 313.405 1.804 50 0 DDAALP C[N@H+](CC(=O)N[C@@H]1CCc2ccccc2C1)C1CC[NH+](C)CC1 ZINC000223017883 418562951 /nfs/dbraw/zinc/56/29/51/418562951.db2.gz UOZWOBYHVUNGTM-QGZVFWFLSA-N 2 2 315.461 1.686 50 0 DDAALP C[N@@H+](CC(=O)N[C@@H]1CCc2ccccc2C1)C1CC[NH+](C)CC1 ZINC000223017883 418562955 /nfs/dbraw/zinc/56/29/55/418562955.db2.gz UOZWOBYHVUNGTM-QGZVFWFLSA-N 2 2 315.461 1.686 50 0 DDAALP C[C@H](C(=O)N1CC[NH+](C2Cc3ccccc3C2)CC1)n1cc[nH+]c1 ZINC000426423103 419468767 /nfs/dbraw/zinc/46/87/67/419468767.db2.gz RIPGQLPGEMCJTG-OAHLLOKOSA-N 2 2 324.428 1.756 50 0 DDAALP COC(=O)C[N@H+](C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000095407304 185356188 /nfs/dbraw/zinc/35/61/88/185356188.db2.gz QTGPEVCYBWJAJL-UHFFFAOYSA-N 2 2 320.437 1.982 50 0 DDAALP COC(=O)C[N@@H+](C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000095407304 185356189 /nfs/dbraw/zinc/35/61/89/185356189.db2.gz QTGPEVCYBWJAJL-UHFFFAOYSA-N 2 2 320.437 1.982 50 0 DDAALP Cn1cc(CCCNc2cc(C3CC([NH3+])C3)[nH+]c(N)n2)cn1 ZINC000222450757 201611579 /nfs/dbraw/zinc/61/15/79/201611579.db2.gz NHJHSIQJIZWXLP-UHFFFAOYSA-N 2 2 301.398 1.042 50 0 DDAALP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1c[nH]nc1-c1ccc2c(c1)OCO2 ZINC000071828222 406848710 /nfs/dbraw/zinc/84/87/10/406848710.db2.gz MTIWUJIHOHUTSK-CQSZACIVSA-N 2 2 314.389 1.989 50 0 DDAALP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1c[nH]nc1-c1ccc2c(c1)OCO2 ZINC000071828222 406848712 /nfs/dbraw/zinc/84/87/12/406848712.db2.gz MTIWUJIHOHUTSK-CQSZACIVSA-N 2 2 314.389 1.989 50 0 DDAALP C[NH+](C)CCCC(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000055165967 407197013 /nfs/dbraw/zinc/19/70/13/407197013.db2.gz FLZHSDXMKYJLLJ-UHFFFAOYSA-N 2 2 307.413 1.812 50 0 DDAALP Cn1c(Cn2cc[nH+]c2)nnc1[C@H]1CCCN(c2cc[nH+]cc2)C1 ZINC000095367052 407210136 /nfs/dbraw/zinc/21/01/36/407210136.db2.gz DSUKRHBVZCYSFG-AWEZNQCLSA-N 2 2 323.404 1.839 50 0 DDAALP Cn1c(C[N@H+](C)CCCn2cc[nH+]c2)nc2ccccc2c1=O ZINC000096493124 407272591 /nfs/dbraw/zinc/27/25/91/407272591.db2.gz AHIBULONPSGTAP-UHFFFAOYSA-N 2 2 311.389 1.652 50 0 DDAALP Cn1c(C[N@@H+](C)CCCn2cc[nH+]c2)nc2ccccc2c1=O ZINC000096493124 407272592 /nfs/dbraw/zinc/27/25/92/407272592.db2.gz AHIBULONPSGTAP-UHFFFAOYSA-N 2 2 311.389 1.652 50 0 DDAALP COCC[NH+]1CCC([NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000244975197 407943650 /nfs/dbraw/zinc/94/36/50/407943650.db2.gz IGGGKHHYUXZXAU-UHFFFAOYSA-N 2 2 303.450 1.919 50 0 DDAALP Cc1ccc2[nH]c(CCCNC(=O)[C@H]3C[NH2+]CCO3)[nH+]c2c1C ZINC000299801370 410638511 /nfs/dbraw/zinc/63/85/11/410638511.db2.gz WWKQJMQWZSGFNT-CQSZACIVSA-N 2 2 316.405 1.217 50 0 DDAALP OCc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1F ZINC000655698517 424638460 /nfs/dbraw/zinc/63/84/60/424638460.db2.gz GXUQUCIZHBINBO-MRXNPFEDSA-N 2 2 308.397 1.661 50 0 DDAALP CCc1[nH+]ccn1C[C@@H](C)[NH2+]Cc1ccc(C(=O)N(C)C)o1 ZINC000534587825 334292801 /nfs/dbraw/zinc/29/28/01/334292801.db2.gz IZTKCPCFWONNBV-GFCCVEGCSA-N 2 2 304.394 1.919 50 0 DDAALP Nc1nc(NCc2ccc3c(c2)CCO3)cc(C2CC([NH3+])C2)[nH+]1 ZINC000220709499 539265031 /nfs/dbraw/zinc/26/50/31/539265031.db2.gz CGAXWPGUELWLQA-UHFFFAOYSA-N 2 2 311.389 1.811 50 0 DDAALP C[N@H+](Cc1cc2n(n1)CCC[NH2+]C2)Cc1ccc2c(c1)OCO2 ZINC000072121005 191040837 /nfs/dbraw/zinc/04/08/37/191040837.db2.gz LPNXOIUFYOCWIQ-UHFFFAOYSA-N 2 2 314.389 1.737 50 0 DDAALP C[N@@H+](Cc1cc2n(n1)CCC[NH2+]C2)Cc1ccc2c(c1)OCO2 ZINC000072121005 191040839 /nfs/dbraw/zinc/04/08/39/191040839.db2.gz LPNXOIUFYOCWIQ-UHFFFAOYSA-N 2 2 314.389 1.737 50 0 DDAALP COCC[N@H+](C)C[C@@H]1C[NH+](Cc2cc(C)ccc2F)C[C@@H]1CO ZINC000091645794 193085327 /nfs/dbraw/zinc/08/53/27/193085327.db2.gz RQZMCFJFLSQJFW-IAGOWNOFSA-N 2 2 324.440 1.753 50 0 DDAALP COCC[N@@H+](C)C[C@@H]1C[NH+](Cc2cc(C)ccc2F)C[C@@H]1CO ZINC000091645794 193085329 /nfs/dbraw/zinc/08/53/29/193085329.db2.gz RQZMCFJFLSQJFW-IAGOWNOFSA-N 2 2 324.440 1.753 50 0 DDAALP COCC[NH+](C)C[C@@H]1C[N@H+](Cc2cc(C)ccc2F)C[C@@H]1CO ZINC000091645794 193085330 /nfs/dbraw/zinc/08/53/30/193085330.db2.gz RQZMCFJFLSQJFW-IAGOWNOFSA-N 2 2 324.440 1.753 50 0 DDAALP COCC[NH+](C)C[C@@H]1C[N@@H+](Cc2cc(C)ccc2F)C[C@@H]1CO ZINC000091645794 193085332 /nfs/dbraw/zinc/08/53/32/193085332.db2.gz RQZMCFJFLSQJFW-IAGOWNOFSA-N 2 2 324.440 1.753 50 0 DDAALP CCOC(=O)[C@H](C)[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000060368393 184147113 /nfs/dbraw/zinc/14/71/13/184147113.db2.gz RHBZCJUYFHCDHW-ZNMIVQPWSA-N 2 2 312.454 1.759 50 0 DDAALP CCOC(=O)[C@H](C)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000060368393 184147115 /nfs/dbraw/zinc/14/71/15/184147115.db2.gz RHBZCJUYFHCDHW-ZNMIVQPWSA-N 2 2 312.454 1.759 50 0 DDAALP C[N@@H+]1CCCN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC1 ZINC000065434039 184344299 /nfs/dbraw/zinc/34/42/99/184344299.db2.gz XPYPFIJIDMPNNG-UHFFFAOYSA-N 2 2 317.437 1.529 50 0 DDAALP C[N@H+]1CCCN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC1 ZINC000065434039 184344300 /nfs/dbraw/zinc/34/43/00/184344300.db2.gz XPYPFIJIDMPNNG-UHFFFAOYSA-N 2 2 317.437 1.529 50 0 DDAALP Cn1ncc2c1nc[nH+]c2NC1CC[NH+](Cc2ccncc2)CC1 ZINC000044976873 407037425 /nfs/dbraw/zinc/03/74/25/407037425.db2.gz PIWZCRACZVDJKK-UHFFFAOYSA-N 2 2 323.404 1.835 50 0 DDAALP Cc1nnnn1CCC[N@H+]1CCCC[C@@H]1CCc1[nH+]ccn1C ZINC000077341500 406985502 /nfs/dbraw/zinc/98/55/02/406985502.db2.gz VFPWVLFCDMRRJK-OAHLLOKOSA-N 2 2 317.441 1.592 50 0 DDAALP Cc1nnnn1CCC[N@@H+]1CCCC[C@@H]1CCc1[nH+]ccn1C ZINC000077341500 406985503 /nfs/dbraw/zinc/98/55/03/406985503.db2.gz VFPWVLFCDMRRJK-OAHLLOKOSA-N 2 2 317.441 1.592 50 0 DDAALP O=C(CC[NH2+][C@H]1COC[C@@H]1[NH+]1CCCC1)NC1CCCCCC1 ZINC000065458918 407243837 /nfs/dbraw/zinc/24/38/37/407243837.db2.gz FIOKLQIUHHRCMD-IRXDYDNUSA-N 2 2 323.481 1.668 50 0 DDAALP C[C@H](C[NH2+]C1CCN(c2nccs2)CC1)C[NH+]1CCOCC1 ZINC000096494472 407272814 /nfs/dbraw/zinc/27/28/14/407272814.db2.gz IAZQLHUYVZKNAZ-CQSZACIVSA-N 2 2 324.494 1.670 50 0 DDAALP C[N@H+](CC(=O)NCCCc1ccc(O)cc1)C1CC[NH2+]CC1 ZINC000214966799 407481573 /nfs/dbraw/zinc/48/15/73/407481573.db2.gz IPKWQOMIJVOMQE-UHFFFAOYSA-N 2 2 305.422 1.125 50 0 DDAALP C[N@@H+](CC(=O)NCCCc1ccc(O)cc1)C1CC[NH2+]CC1 ZINC000214966799 407481581 /nfs/dbraw/zinc/48/15/81/407481581.db2.gz IPKWQOMIJVOMQE-UHFFFAOYSA-N 2 2 305.422 1.125 50 0 DDAALP COc1cccc(N2CC[NH+](CCc3c[nH+]cn3C)CC2)c1 ZINC000241837558 407912106 /nfs/dbraw/zinc/91/21/06/407912106.db2.gz SLAVXZXBSUARRN-UHFFFAOYSA-N 2 2 300.406 1.793 50 0 DDAALP Cn1c[nH+]cc1CCC(=O)N[C@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000242284648 407915699 /nfs/dbraw/zinc/91/56/99/407915699.db2.gz YINLLIUNQHMXNG-IRXDYDNUSA-N 2 2 312.417 1.567 50 0 DDAALP Cn1c(C[N@H+](C)CC2(CO)CCCC2)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000244898910 407943876 /nfs/dbraw/zinc/94/38/76/407943876.db2.gz ZDVODCZNIAHANO-JOCQHMNTSA-N 2 2 307.442 1.004 50 0 DDAALP Cn1c(C[N@@H+](C)CC2(CO)CCCC2)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000244898910 407943877 /nfs/dbraw/zinc/94/38/77/407943877.db2.gz ZDVODCZNIAHANO-JOCQHMNTSA-N 2 2 307.442 1.004 50 0 DDAALP C[NH2+]Cc1nnc(SCc2cn3ccc(C)cc3[nH+]2)n1C ZINC000426514670 419494896 /nfs/dbraw/zinc/49/48/96/419494896.db2.gz OSHRVVVHBRQHOI-UHFFFAOYSA-N 2 2 302.407 1.783 50 0 DDAALP Cc1c[nH+]ccc1NCCNC(=O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000299759415 302388159 /nfs/dbraw/zinc/38/81/59/302388159.db2.gz RGMSCAXJAGXKCL-OKILXGFUSA-N 2 2 306.410 1.027 50 0 DDAALP Cc1c[nH+]ccc1NCCNC(=O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000299759415 302388161 /nfs/dbraw/zinc/38/81/61/302388161.db2.gz RGMSCAXJAGXKCL-OKILXGFUSA-N 2 2 306.410 1.027 50 0 DDAALP COCCn1cc[nH+]c1CN1CCC([NH+]2CCSCC2)CC1 ZINC000216093478 484140729 /nfs/dbraw/zinc/14/07/29/484140729.db2.gz ATTOSJVKQCJESG-UHFFFAOYSA-N 2 2 324.494 1.543 50 0 DDAALP COc1cc(N2CCCN(c3cc[nH+]c(C)c3)CC2)nc(N)[nH+]1 ZINC000219635726 771936344 /nfs/dbraw/zinc/93/63/44/771936344.db2.gz GGLZEVPEOYQNIX-UHFFFAOYSA-N 2 2 314.393 1.488 50 0 DDAALP Cn1cc([C@@H]2C[N@H+](C[C@](C)(O)c3ccccc3)C[C@H]2[NH3+])cn1 ZINC000952876922 775626740 /nfs/dbraw/zinc/62/67/40/775626740.db2.gz IIOLHYMPBZPOFB-BBWFWOEESA-N 2 2 300.406 1.054 50 0 DDAALP Cn1cc([C@@H]2C[N@@H+](C[C@](C)(O)c3ccccc3)C[C@H]2[NH3+])cn1 ZINC000952876922 775626745 /nfs/dbraw/zinc/62/67/45/775626745.db2.gz IIOLHYMPBZPOFB-BBWFWOEESA-N 2 2 300.406 1.054 50 0 DDAALP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]CCn3cccn3)c2cc1C ZINC000072254031 191088353 /nfs/dbraw/zinc/08/83/53/191088353.db2.gz KYHMCHVWPYHBFQ-OAHLLOKOSA-N 2 2 313.405 1.500 50 0 DDAALP CCOC(=O)N1CC[C@H]([NH2+]CCc2cn3ccccc3[nH+]2)C1 ZINC000584899659 354798741 /nfs/dbraw/zinc/79/87/41/354798741.db2.gz HWFAMANXVJSHEA-ZDUSSCGKSA-N 2 2 302.378 1.697 50 0 DDAALP COc1ccc(C[N@@H+]2C[C@H](CO)[C@H](C[NH+](C)C)C2)cc1OC ZINC000092065009 193151058 /nfs/dbraw/zinc/15/10/58/193151058.db2.gz QHEKWUPPXRLVKG-HUUCEWRRSA-N 2 2 308.422 1.306 50 0 DDAALP COc1ccc(C[N@H+]2C[C@H](CO)[C@H](C[NH+](C)C)C2)cc1OC ZINC000092065009 193151060 /nfs/dbraw/zinc/15/10/60/193151060.db2.gz QHEKWUPPXRLVKG-HUUCEWRRSA-N 2 2 308.422 1.306 50 0 DDAALP c1cc2n(n1)C[C@@H](C[NH2+]Cc1cccc(Cn3cc[nH+]c3)c1)CN2 ZINC000058291749 184101466 /nfs/dbraw/zinc/10/14/66/184101466.db2.gz FTFUWNVMVXMTSL-KRWDZBQOSA-N 2 2 322.416 1.959 50 0 DDAALP Cc1ccc(OC[C@@H](O)C[NH2+]CCC[NH+]2CCOCC2)cc1 ZINC000006936267 406745539 /nfs/dbraw/zinc/74/55/39/406745539.db2.gz VQGHYFQAQLESLH-INIZCTEOSA-N 2 2 308.422 1.047 50 0 DDAALP O[C@@H](C[NH+]1CCN(c2[nH+]cnc3[nH]ccc32)CC1)c1ccccc1 ZINC000069624529 406745982 /nfs/dbraw/zinc/74/59/82/406745982.db2.gz RWIDTFPUJOATLM-INIZCTEOSA-N 2 2 323.400 1.814 50 0 DDAALP Cc1[nH+]cc(C[NH2+][C@@H]2CC(=O)N(C3Cc4ccccc4C3)C2)n1C ZINC000012317505 406840769 /nfs/dbraw/zinc/84/07/69/406840769.db2.gz NINCONPZQGFQEA-MRXNPFEDSA-N 2 2 324.428 1.586 50 0 DDAALP Fc1ccc(OCC[NH+]2CCN(Cc3[nH]cc[nH+]3)CC2)cc1 ZINC000075612490 406936842 /nfs/dbraw/zinc/93/68/42/406936842.db2.gz QOWGKYUGWQKAHU-UHFFFAOYSA-N 2 2 304.369 1.745 50 0 DDAALP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000078875756 407047541 /nfs/dbraw/zinc/04/75/41/407047541.db2.gz MYJVNAMMRLHPNZ-WBVHZDCISA-N 2 2 317.433 1.098 50 0 DDAALP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000078875756 407047542 /nfs/dbraw/zinc/04/75/42/407047542.db2.gz MYJVNAMMRLHPNZ-WBVHZDCISA-N 2 2 317.433 1.098 50 0 DDAALP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000078875760 407048018 /nfs/dbraw/zinc/04/80/18/407048018.db2.gz MYJVNAMMRLHPNZ-DOTOQJQBSA-N 2 2 317.433 1.098 50 0 DDAALP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000078875760 407048020 /nfs/dbraw/zinc/04/80/20/407048020.db2.gz MYJVNAMMRLHPNZ-DOTOQJQBSA-N 2 2 317.433 1.098 50 0 DDAALP COC[C@H](O)C[NH+]1CCC([NH2+]Cc2ccccc2OC)CC1 ZINC000089800809 407150117 /nfs/dbraw/zinc/15/01/17/407150117.db2.gz ASKZPYPSOCYUCW-MRXNPFEDSA-N 2 2 308.422 1.257 50 0 DDAALP C[C@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000089937866 407159869 /nfs/dbraw/zinc/15/98/69/407159869.db2.gz SPTCMLHJJXSZLU-LSDHHAIUSA-N 2 2 302.422 1.461 50 0 DDAALP C[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000089937866 407159872 /nfs/dbraw/zinc/15/98/72/407159872.db2.gz SPTCMLHJJXSZLU-LSDHHAIUSA-N 2 2 302.422 1.461 50 0 DDAALP O=C(Cn1cc[nH+]c1)N1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000220053975 407537506 /nfs/dbraw/zinc/53/75/06/407537506.db2.gz SNKSYOUHCQEGFQ-UHFFFAOYSA-N 2 2 310.401 1.195 50 0 DDAALP C[NH+](C)Cc1cnc(C[N@@H+]2CCS[C@H]3COCC[C@H]32)s1 ZINC000241776758 407912010 /nfs/dbraw/zinc/91/20/10/407912010.db2.gz RSFSCGHFAPOKDX-OLZOCXBDSA-N 2 2 313.492 1.911 50 0 DDAALP C[NH+](C)Cc1cnc(C[N@H+]2CCS[C@H]3COCC[C@H]32)s1 ZINC000241776758 407912016 /nfs/dbraw/zinc/91/20/16/407912016.db2.gz RSFSCGHFAPOKDX-OLZOCXBDSA-N 2 2 313.492 1.911 50 0 DDAALP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000242284646 407916014 /nfs/dbraw/zinc/91/60/14/407916014.db2.gz YINLLIUNQHMXNG-DLBZAZTESA-N 2 2 312.417 1.567 50 0 DDAALP C[C@@H](CNC(=O)NCCCn1cc[nH+]c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000044946486 418433284 /nfs/dbraw/zinc/43/32/84/418433284.db2.gz FIOZHKOEAHRIJO-SOUVJXGZSA-N 2 2 323.441 1.070 50 0 DDAALP C[C@@H](CNC(=O)NCCCn1cc[nH+]c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000044946486 418433288 /nfs/dbraw/zinc/43/32/88/418433288.db2.gz FIOZHKOEAHRIJO-SOUVJXGZSA-N 2 2 323.441 1.070 50 0 DDAALP COC(=O)N1CC[C@H]([NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000108101971 418499714 /nfs/dbraw/zinc/49/97/14/418499714.db2.gz XJWXFQZDYYRPTQ-BHYGNILZSA-N 2 2 317.433 1.937 50 0 DDAALP COC(=O)N1CC[C@H]([NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000108101971 418499716 /nfs/dbraw/zinc/49/97/16/418499716.db2.gz XJWXFQZDYYRPTQ-BHYGNILZSA-N 2 2 317.433 1.937 50 0 DDAALP CCCS(=O)(=O)NC[C@H](C)[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000534658812 334314825 /nfs/dbraw/zinc/31/48/25/334314825.db2.gz HZMCEUZXFFYLFR-ZDUSSCGKSA-N 2 2 324.450 1.450 50 0 DDAALP Cn1cc[nH+]c1CC[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000670472564 484849746 /nfs/dbraw/zinc/84/97/46/484849746.db2.gz OIJUILOUJZSUHE-UHFFFAOYSA-N 2 2 310.405 1.885 50 0 DDAALP C[C@H](C(=O)NC1CC[NH+](Cc2cccnc2)CC1)n1cc[nH+]c1 ZINC000426544936 699155466 /nfs/dbraw/zinc/15/54/66/699155466.db2.gz FYGWZZLBFWCMJH-CQSZACIVSA-N 2 2 313.405 1.620 50 0 DDAALP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC000952979524 721531228 /nfs/dbraw/zinc/53/12/28/721531228.db2.gz OHIRIFGVHZRWRR-INIZCTEOSA-N 3 2 313.405 1.514 50 0 DDAALP C[NH+](C)[C@H](C(=O)N1CCn2c[nH+]cc2C1)c1cccc(F)c1 ZINC000072124083 191041569 /nfs/dbraw/zinc/04/15/69/191041569.db2.gz UFOCJERMWOXOGO-HNNXBMFYSA-N 2 2 302.353 1.667 50 0 DDAALP C[NH+](C)C[C@@]1(O)CCN(C(=O)c2cccc(-c3[nH]cc[nH+]3)c2)C1 ZINC000072156192 191058972 /nfs/dbraw/zinc/05/89/72/191058972.db2.gz GONNOJWDUOVXSM-KRWDZBQOSA-N 2 2 314.389 1.215 50 0 DDAALP Cc1cnn(CC2CC[NH+](Cc3cc4n(n3)CC[NH2+]C4)CC2)c1 ZINC000072169543 191068713 /nfs/dbraw/zinc/06/87/13/191068713.db2.gz DLMCRWVURCQNCO-UHFFFAOYSA-N 2 2 314.437 1.403 50 0 DDAALP O=C(N[C@@H]1CCc2[nH+]ccn2C1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000072278678 191100253 /nfs/dbraw/zinc/10/02/53/191100253.db2.gz BAFKIFZWPMYDBT-SJORKVTESA-N 2 2 324.428 1.979 50 0 DDAALP O=C(N[C@@H]1CCc2[nH+]ccn2C1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000072278678 191100254 /nfs/dbraw/zinc/10/02/54/191100254.db2.gz BAFKIFZWPMYDBT-SJORKVTESA-N 2 2 324.428 1.979 50 0 DDAALP Cc1nn(C)c2nc[nH+]c(N(C)CCC[NH+]3CCCCC3)c12 ZINC000072447513 191168302 /nfs/dbraw/zinc/16/83/02/191168302.db2.gz XWEPTWNPNRNIIG-UHFFFAOYSA-N 2 2 302.426 1.984 50 0 DDAALP c1cc2n(n1)C[C@H](C[NH2+]Cc1ccccc1Cn1cc[nH+]c1)CN2 ZINC000069848293 353175219 /nfs/dbraw/zinc/17/52/19/353175219.db2.gz BOKJUGCVVZQWBH-OAHLLOKOSA-N 2 2 322.416 1.959 50 0 DDAALP COc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCC[NH2+]3)CC2)cc1F ZINC000237300776 202224306 /nfs/dbraw/zinc/22/43/06/202224306.db2.gz DKYLAQZHJYXDPI-OAHLLOKOSA-N 2 2 321.396 1.231 50 0 DDAALP C[C@](O)(C[NH+]1CCC(CO)([NH2+]CC2CC2)CC1)C(F)(F)F ZINC000328599146 291340815 /nfs/dbraw/zinc/34/08/15/291340815.db2.gz QBKKKPCXZKKOLX-LBPRGKRZSA-N 2 2 310.360 1.126 50 0 DDAALP Cc1c[nH+]ccc1Cn1ccnc1-c1cn(C2CC[NH2+]CC2)nn1 ZINC000091350594 193044913 /nfs/dbraw/zinc/04/49/13/193044913.db2.gz VVIITTJKQQBSER-UHFFFAOYSA-N 2 2 323.404 1.818 50 0 DDAALP COCC(=O)N1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000069417385 406708322 /nfs/dbraw/zinc/70/83/22/406708322.db2.gz DDUNAOYNXKRHNS-UHFFFAOYSA-N 2 2 314.389 1.163 50 0 DDAALP C[C@H]1CN(Cc2[nH+]ccn2C)CC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000070008513 406801975 /nfs/dbraw/zinc/80/19/75/406801975.db2.gz MBCIVUBMTPEMLS-RDJZCZTQSA-N 2 2 314.433 1.660 50 0 DDAALP C[C@H]1CN(Cc2[nH+]ccn2C)CC[N@H+]1C[C@H](O)c1ccccc1 ZINC000070008513 406801979 /nfs/dbraw/zinc/80/19/79/406801979.db2.gz MBCIVUBMTPEMLS-RDJZCZTQSA-N 2 2 314.433 1.660 50 0 DDAALP Cc1ccc(C)c2c(=O)cc(C[NH2+]C[C@@H]3C[C@H](F)C[NH2+]3)[nH]c12 ZINC000095353421 407207922 /nfs/dbraw/zinc/20/79/22/407207922.db2.gz OIAQBZYQHHIDRH-STQMWFEESA-N 2 2 303.381 1.935 50 0 DDAALP [NH3+]CC(=O)N1C[C@@H](COc2cc[nH+]cc2)[C@H](c2ccccn2)C1 ZINC000257194595 407487086 /nfs/dbraw/zinc/48/70/86/407487086.db2.gz UIMUYAASUBSUAT-DZGCQCFKSA-N 2 2 312.373 1.056 50 0 DDAALP O=C(CCCn1cc[nH+]c1)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000299761479 410612513 /nfs/dbraw/zinc/61/25/13/410612513.db2.gz RVDABVZSTQPZPI-MRXNPFEDSA-N 2 2 320.437 1.423 50 0 DDAALP CCc1[nH+]ccn1CCCNc1cc([C@@H]2CCOC2)[nH+]c(C)n1 ZINC000426712638 419535514 /nfs/dbraw/zinc/53/55/14/419535514.db2.gz LTMMIMQSQNVOOG-CQSZACIVSA-N 2 2 315.421 2.550 50 0 DDAALP C[C@H](CC(=O)NCCCOC1CC[NH+](C)CC1)n1cc[nH+]c1 ZINC000299760397 698599379 /nfs/dbraw/zinc/59/93/79/698599379.db2.gz QXOIGEUOUTTYBG-CQSZACIVSA-N 2 2 308.426 1.451 50 0 DDAALP CC[NH+]1CCN(C(=O)NCCc2cn3ccccc3[nH+]2)CC1 ZINC000089977292 185273039 /nfs/dbraw/zinc/27/30/39/185273039.db2.gz CVKGKQDJUXIOGG-UHFFFAOYSA-N 2 2 301.394 1.224 50 0 DDAALP Cc1cc[nH+]c(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)c1 ZINC000253393923 186304091 /nfs/dbraw/zinc/30/40/91/186304091.db2.gz HFWBZVGGUPRRBS-QGZVFWFLSA-N 2 2 318.465 1.621 50 0 DDAALP Cc1cc[nH+]c(N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)c1 ZINC000253393923 186304093 /nfs/dbraw/zinc/30/40/93/186304093.db2.gz HFWBZVGGUPRRBS-QGZVFWFLSA-N 2 2 318.465 1.621 50 0 DDAALP CN(Cc1[nH+]ccn1C)C(=O)NC[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000584886953 354790650 /nfs/dbraw/zinc/79/06/50/354790650.db2.gz AQRHKXCDHXRHSZ-CQSZACIVSA-N 2 2 319.453 1.826 50 0 DDAALP CN(Cc1[nH+]ccn1C)C(=O)NC[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000584886953 354790652 /nfs/dbraw/zinc/79/06/52/354790652.db2.gz AQRHKXCDHXRHSZ-CQSZACIVSA-N 2 2 319.453 1.826 50 0 DDAALP C[C@](O)(C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1)C(F)(F)F ZINC000253396509 291341526 /nfs/dbraw/zinc/34/15/26/291341526.db2.gz IIRHUJZVOHJTSX-OLZOCXBDSA-N 2 2 310.360 1.344 50 0 DDAALP C[C@](O)(C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1)C(F)(F)F ZINC000253396509 291341527 /nfs/dbraw/zinc/34/15/27/291341527.db2.gz IIRHUJZVOHJTSX-OLZOCXBDSA-N 2 2 310.360 1.344 50 0 DDAALP Cc1csc([C@H](C)NC(=O)C[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000219785727 257273847 /nfs/dbraw/zinc/27/38/47/257273847.db2.gz HBKMIABATAFJEH-LBPRGKRZSA-N 2 2 310.467 1.655 50 0 DDAALP Cc1csc([C@H](C)NC(=O)C[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000219785727 257273849 /nfs/dbraw/zinc/27/38/49/257273849.db2.gz HBKMIABATAFJEH-LBPRGKRZSA-N 2 2 310.467 1.655 50 0 DDAALP C[C@H]1C[N@H+](C[C@H](O)c2ccccc2)CCN1Cc1[nH+]ccn1C ZINC000069598216 406743595 /nfs/dbraw/zinc/74/35/95/406743595.db2.gz IAVWJPCIVUYSCI-RDJZCZTQSA-N 2 2 314.433 1.660 50 0 DDAALP C[C@H]1C[N@@H+](C[C@H](O)c2ccccc2)CCN1Cc1[nH+]ccn1C ZINC000069598216 406743598 /nfs/dbraw/zinc/74/35/98/406743598.db2.gz IAVWJPCIVUYSCI-RDJZCZTQSA-N 2 2 314.433 1.660 50 0 DDAALP C[C@H](C(=O)Nc1ncccn1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000069508975 406725938 /nfs/dbraw/zinc/72/59/38/406725938.db2.gz QXDITYSGOXYZMT-CQSZACIVSA-N 2 2 317.437 1.611 50 0 DDAALP Cc1occc1C(=O)N[C@H]1CCC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000012056734 406834106 /nfs/dbraw/zinc/83/41/06/406834106.db2.gz PCUGDSBOFUNVQB-AWEZNQCLSA-N 2 2 305.422 1.876 50 0 DDAALP Cc1occc1C(=O)N[C@H]1CCC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000012056734 406834110 /nfs/dbraw/zinc/83/41/10/406834110.db2.gz PCUGDSBOFUNVQB-AWEZNQCLSA-N 2 2 305.422 1.876 50 0 DDAALP Cc1cnc(C(=O)N[C@@H]2CCC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000012464526 406845750 /nfs/dbraw/zinc/84/57/50/406845750.db2.gz KQLUQABBZUQPNI-CQSZACIVSA-N 2 2 317.437 1.073 50 0 DDAALP Cc1cnc(C(=O)N[C@@H]2CCC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000012464526 406845754 /nfs/dbraw/zinc/84/57/54/406845754.db2.gz KQLUQABBZUQPNI-CQSZACIVSA-N 2 2 317.437 1.073 50 0 DDAALP Cn1ncc(C[N@@H+]2CCC[C@](O)(C[NH+]3CCCC3)C2)c1C1CC1 ZINC000077319143 406984678 /nfs/dbraw/zinc/98/46/78/406984678.db2.gz XVXTUYFTZGQTAG-SFHVURJKSA-N 2 2 318.465 1.720 50 0 DDAALP Cn1ncc(C[N@H+]2CCC[C@](O)(C[NH+]3CCCC3)C2)c1C1CC1 ZINC000077319143 406984681 /nfs/dbraw/zinc/98/46/81/406984681.db2.gz XVXTUYFTZGQTAG-SFHVURJKSA-N 2 2 318.465 1.720 50 0 DDAALP C[NH+]1CCN(CCc2noc([C@H]3CCCCC[N@@H+]3C)n2)CC1 ZINC000095381010 407212395 /nfs/dbraw/zinc/21/23/95/407212395.db2.gz CKUDUZHZQUGGTP-CQSZACIVSA-N 2 2 307.442 1.406 50 0 DDAALP C[NH+]1CCN(CCc2noc([C@H]3CCCCC[N@H+]3C)n2)CC1 ZINC000095381010 407212397 /nfs/dbraw/zinc/21/23/97/407212397.db2.gz CKUDUZHZQUGGTP-CQSZACIVSA-N 2 2 307.442 1.406 50 0 DDAALP CC[C@H](C(=O)N1CC[NH+]([C@H](C)c2ccccn2)CC1)[NH+](C)C ZINC000095943420 407216152 /nfs/dbraw/zinc/21/61/52/407216152.db2.gz SDLMMNAJJPNOFN-GDBMZVCRSA-N 2 2 304.438 1.627 50 0 DDAALP CCCOCC[NH+]1CCN(c2cc(C)[nH+]c(N(C)C)n2)CC1 ZINC000065451166 407243137 /nfs/dbraw/zinc/24/31/37/407243137.db2.gz QBMOJFARXPLYMJ-UHFFFAOYSA-N 2 2 307.442 1.400 50 0 DDAALP CCNc1cc[nH+]c(N2CC[NH+](Cc3ncccc3C)CC2)n1 ZINC000065387854 407243541 /nfs/dbraw/zinc/24/35/41/407243541.db2.gz DJPOCIYDTDQYFF-UHFFFAOYSA-N 2 2 312.421 1.934 50 0 DDAALP C[N@H+](CC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)Cc1ccncc1 ZINC000067769493 407283415 /nfs/dbraw/zinc/28/34/15/407283415.db2.gz IZIJUHUEVMLRQF-KRWDZBQOSA-N 2 2 302.422 1.116 50 0 DDAALP C[N@@H+](CC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)Cc1ccncc1 ZINC000067769493 407283417 /nfs/dbraw/zinc/28/34/17/407283417.db2.gz IZIJUHUEVMLRQF-KRWDZBQOSA-N 2 2 302.422 1.116 50 0 DDAALP C[C@H](Cn1cncn1)[NH2+]C1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000067983400 407293334 /nfs/dbraw/zinc/29/33/34/407293334.db2.gz KIGYYJMGSSRUAY-CQSZACIVSA-N 2 2 315.421 1.626 50 0 DDAALP C[C@@H](NC(=O)C[N@H+](C)C1CC[NH2+]CC1)c1nc2ccccc2[nH]1 ZINC000215250390 407483531 /nfs/dbraw/zinc/48/35/31/407483531.db2.gz SHCJNQVQVLAXNU-GFCCVEGCSA-N 2 2 315.421 1.424 50 0 DDAALP C[C@@H](NC(=O)C[N@@H+](C)C1CC[NH2+]CC1)c1nc2ccccc2[nH]1 ZINC000215250390 407483536 /nfs/dbraw/zinc/48/35/36/407483536.db2.gz SHCJNQVQVLAXNU-GFCCVEGCSA-N 2 2 315.421 1.424 50 0 DDAALP C[C@@H](C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1)CS(C)(=O)=O ZINC000170590949 407444597 /nfs/dbraw/zinc/44/45/97/407444597.db2.gz PZXHLCQQIUCWRW-UONOGXRCSA-N 2 2 313.467 1.355 50 0 DDAALP C[C@@H](C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1)CS(C)(=O)=O ZINC000170590949 407444603 /nfs/dbraw/zinc/44/46/03/407444603.db2.gz PZXHLCQQIUCWRW-UONOGXRCSA-N 2 2 313.467 1.355 50 0 DDAALP C[C@H](CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)Cn1cc[nH+]c1 ZINC000193319809 163252736 /nfs/dbraw/zinc/25/27/36/163252736.db2.gz UVCLYUIMZBDRIG-ZBFHGGJFSA-N 2 2 320.437 1.279 50 0 DDAALP C[C@H](CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1)Cn1cc[nH+]c1 ZINC000193319809 163252738 /nfs/dbraw/zinc/25/27/38/163252738.db2.gz UVCLYUIMZBDRIG-ZBFHGGJFSA-N 2 2 320.437 1.279 50 0 DDAALP Cc1ccc(N2CCC([NH2+][C@@H]3C[NH2+]C[C@H]3O)CC2)cc1Cl ZINC000426519422 419499576 /nfs/dbraw/zinc/49/95/76/419499576.db2.gz ZUAWYYPSFJLGFD-HZPDHXFCSA-N 2 2 309.841 1.540 50 0 DDAALP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C1([NH3+])CCCC1 ZINC000423807715 420198827 /nfs/dbraw/zinc/19/88/27/420198827.db2.gz XSHYLRDUKNUELU-UHFFFAOYSA-N 2 2 304.394 1.437 50 0 DDAALP c1cnn(CCC[N@@H+]2CCCO[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000670451325 484839117 /nfs/dbraw/zinc/83/91/17/484839117.db2.gz CHFSDMKYTFOLPQ-KRWDZBQOSA-N 2 2 306.454 1.850 50 0 DDAALP c1cnn(CCC[N@H+]2CCCO[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000670451325 484839122 /nfs/dbraw/zinc/83/91/22/484839122.db2.gz CHFSDMKYTFOLPQ-KRWDZBQOSA-N 2 2 306.454 1.850 50 0 DDAALP C[C@H](C1CC[NH+](Cc2nc(C3CC3)no2)CC1)[NH+]1CCOCC1 ZINC000011774506 696047829 /nfs/dbraw/zinc/04/78/29/696047829.db2.gz OKIIETOODQKKJX-CYBMUJFWSA-N 2 2 320.437 1.880 50 0 DDAALP C[N@H+](CC(=O)N1CCC2(CC[NH2+]CC2)CC1)Cc1ccncc1 ZINC000071405630 696392141 /nfs/dbraw/zinc/39/21/41/696392141.db2.gz ZFGFZDOOKPQISA-UHFFFAOYSA-N 2 2 316.449 1.506 50 0 DDAALP C[N@@H+](CC(=O)N1CCC2(CC[NH2+]CC2)CC1)Cc1ccncc1 ZINC000071405630 696392145 /nfs/dbraw/zinc/39/21/45/696392145.db2.gz ZFGFZDOOKPQISA-UHFFFAOYSA-N 2 2 316.449 1.506 50 0 DDAALP Cc1ncc(CO)c(C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)c1O ZINC000322518248 698735294 /nfs/dbraw/zinc/73/52/94/698735294.db2.gz RWJJGYAOGPKDET-HNNXBMFYSA-N 2 2 318.421 1.989 50 0 DDAALP O=C(NC[C@H]1C[NH2+]Cc2ccccc21)[C@@H]1CCn2cc[nH+]c2C1 ZINC000888101003 709213716 /nfs/dbraw/zinc/21/37/16/709213716.db2.gz NGGHJTXUMDRAIZ-UKRRQHHQSA-N 2 2 310.401 1.449 50 0 DDAALP CC[C@@H](O)C[NH+]1CCN(c2nc(N)cc(C(C)(C)C)[nH+]2)CC1 ZINC000585138729 753640297 /nfs/dbraw/zinc/64/02/97/753640297.db2.gz NGRLLEPUXVKWMI-GFCCVEGCSA-N 2 2 307.442 1.249 50 0 DDAALP [NH3+][C@@H]1CC[N@H+](Cc2cc(=O)c3cc(Cl)ccc3[nH]2)C[C@H]1O ZINC000082121812 192359111 /nfs/dbraw/zinc/35/91/11/192359111.db2.gz RIINPGQKXFAULJ-IUODEOHRSA-N 2 2 307.781 1.075 50 0 DDAALP [NH3+][C@@H]1CC[N@@H+](Cc2cc(=O)c3cc(Cl)ccc3[nH]2)C[C@H]1O ZINC000082121812 192359114 /nfs/dbraw/zinc/35/91/14/192359114.db2.gz RIINPGQKXFAULJ-IUODEOHRSA-N 2 2 307.781 1.075 50 0 DDAALP Cc1nn(C[C@H](C)[NH2+][C@H](C)[C@H](c2ccccc2)[NH+](C)C)c(=O)o1 ZINC000585141261 354814830 /nfs/dbraw/zinc/81/48/30/354814830.db2.gz SHEJGUPHQQLMJK-WOSRLPQWSA-N 2 2 318.421 1.814 50 0 DDAALP Cc1ccc(C[NH+]2C[C@H](CO)[C@H](C[N@H+](C)CCO)C2)c(F)c1 ZINC000091486739 193063468 /nfs/dbraw/zinc/06/34/68/193063468.db2.gz IVEHOZQPWHFEEL-HZPDHXFCSA-N 2 2 310.413 1.099 50 0 DDAALP Cc1ccc(C[NH+]2C[C@H](CO)[C@H](C[N@@H+](C)CCO)C2)c(F)c1 ZINC000091486739 193063470 /nfs/dbraw/zinc/06/34/70/193063470.db2.gz IVEHOZQPWHFEEL-HZPDHXFCSA-N 2 2 310.413 1.099 50 0 DDAALP Cc1ccc(C[N@@H+]2C[C@H](CO)[C@H](C[NH+](C)CCO)C2)c(F)c1 ZINC000091486739 193063472 /nfs/dbraw/zinc/06/34/72/193063472.db2.gz IVEHOZQPWHFEEL-HZPDHXFCSA-N 2 2 310.413 1.099 50 0 DDAALP Cc1ccc(C[N@H+]2C[C@H](CO)[C@H](C[NH+](C)CCO)C2)c(F)c1 ZINC000091486739 193063473 /nfs/dbraw/zinc/06/34/73/193063473.db2.gz IVEHOZQPWHFEEL-HZPDHXFCSA-N 2 2 310.413 1.099 50 0 DDAALP CCCCSc1nc(NC[C@@H]2C[N@H+](C)CCN2C)cc(N)[nH+]1 ZINC000095382243 193439431 /nfs/dbraw/zinc/43/94/31/193439431.db2.gz VMUKAEASJPZPBJ-GFCCVEGCSA-N 2 2 324.498 1.609 50 0 DDAALP CCCCSc1nc(NC[C@@H]2C[N@@H+](C)CCN2C)cc(N)[nH+]1 ZINC000095382243 193439433 /nfs/dbraw/zinc/43/94/33/193439433.db2.gz VMUKAEASJPZPBJ-GFCCVEGCSA-N 2 2 324.498 1.609 50 0 DDAALP Cc1noc(C)c1CC[NH+]1CCC([N@@H+]2CCC[C@H](O)C2)CC1 ZINC000019840456 182155698 /nfs/dbraw/zinc/15/56/98/182155698.db2.gz NPCQKEVSNAAEFG-INIZCTEOSA-N 2 2 307.438 1.755 50 0 DDAALP Cc1noc(C)c1CC[NH+]1CCC([N@H+]2CCC[C@H](O)C2)CC1 ZINC000019840456 182155699 /nfs/dbraw/zinc/15/56/99/182155699.db2.gz NPCQKEVSNAAEFG-INIZCTEOSA-N 2 2 307.438 1.755 50 0 DDAALP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000297615431 227369729 /nfs/dbraw/zinc/36/97/29/227369729.db2.gz GUGLKMBCNCZHKJ-ZDUSSCGKSA-N 2 2 308.426 1.952 50 0 DDAALP Cn1c[nH+]cc1CC[N@H+]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000297615431 227369733 /nfs/dbraw/zinc/36/97/33/227369733.db2.gz GUGLKMBCNCZHKJ-ZDUSSCGKSA-N 2 2 308.426 1.952 50 0 DDAALP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000289535392 221050062 /nfs/dbraw/zinc/05/00/62/221050062.db2.gz GUGLKMBCNCZHKJ-CYBMUJFWSA-N 2 2 308.426 1.952 50 0 DDAALP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000289535392 221050063 /nfs/dbraw/zinc/05/00/63/221050063.db2.gz GUGLKMBCNCZHKJ-CYBMUJFWSA-N 2 2 308.426 1.952 50 0 DDAALP Cc1noc(C)c1C[NH+]1CCN(C(=O)C2(C[NH3+])CCCC2)CC1 ZINC000237605336 257238391 /nfs/dbraw/zinc/23/83/91/257238391.db2.gz LKOIXGGSPIZPHZ-UHFFFAOYSA-N 2 2 320.437 1.455 50 0 DDAALP CC(C)[C@H](C(=O)N1CC[NH+](C[C@@H](C)O)CC1)[NH+]1CCCCC1 ZINC000070011073 406801482 /nfs/dbraw/zinc/80/14/82/406801482.db2.gz WMLVPAGTLHSEKG-HZPDHXFCSA-N 2 2 311.470 1.022 50 0 DDAALP Cc1cc(NC(=O)C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)on1 ZINC000090004057 407163589 /nfs/dbraw/zinc/16/35/89/407163589.db2.gz MADFKTZILOEZPH-ZDUSSCGKSA-N 2 2 317.393 1.610 50 0 DDAALP Cc1cc(NC(=O)C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)on1 ZINC000090004057 407163590 /nfs/dbraw/zinc/16/35/90/407163590.db2.gz MADFKTZILOEZPH-ZDUSSCGKSA-N 2 2 317.393 1.610 50 0 DDAALP OC[C@@H]1CCCN1c1cc(N2CC[C@@H]([NH+]3CCCC3)C2)nc[nH+]1 ZINC000229333540 407657446 /nfs/dbraw/zinc/65/74/46/407657446.db2.gz IKLDRJATFVFKNK-CABCVRRESA-N 2 2 317.437 1.112 50 0 DDAALP Nc1cc[nH+]cc1C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000187236086 407833825 /nfs/dbraw/zinc/83/38/25/407833825.db2.gz BUDMQNOUDYIABR-UHFFFAOYSA-N 2 2 318.421 1.429 50 0 DDAALP CC1CC[NH+](C[C@@H](O)C[N@@H+]2CCC[C@H]2c2cnn(C)c2)CC1 ZINC000247108413 408410279 /nfs/dbraw/zinc/41/02/79/408410279.db2.gz ITLMIAZDZAMXGN-SJORKVTESA-N 2 2 306.454 1.650 50 0 DDAALP CC1CC[NH+](C[C@@H](O)C[N@H+]2CCC[C@H]2c2cnn(C)c2)CC1 ZINC000247108413 408410283 /nfs/dbraw/zinc/41/02/83/408410283.db2.gz ITLMIAZDZAMXGN-SJORKVTESA-N 2 2 306.454 1.650 50 0 DDAALP Cc1nc(C[N@@H+]2CCCN(C(=O)[C@@H]([NH3+])C3CCC3)CC2)cs1 ZINC000333248340 410443505 /nfs/dbraw/zinc/44/35/05/410443505.db2.gz GECGQRADMWFXDF-HNNXBMFYSA-N 2 2 322.478 1.613 50 0 DDAALP Cc1nc(C[N@H+]2CCCN(C(=O)[C@@H]([NH3+])C3CCC3)CC2)cs1 ZINC000333248340 410443511 /nfs/dbraw/zinc/44/35/11/410443511.db2.gz GECGQRADMWFXDF-HNNXBMFYSA-N 2 2 322.478 1.613 50 0 DDAALP Cc1nn(CCO)c(C)c1C[NH2+]C[C@H]1CCCn2cc[nH+]c21 ZINC000084013894 483989460 /nfs/dbraw/zinc/98/94/60/483989460.db2.gz QQDKVWDLOOJTKW-CQSZACIVSA-N 2 2 303.410 1.356 50 0 DDAALP C[NH+]1CCC(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000072301607 191115375 /nfs/dbraw/zinc/11/53/75/191115375.db2.gz UIVWUEFAYWLQMA-UHFFFAOYSA-N 2 2 312.417 1.889 50 0 DDAALP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)[C@@H]([NH3+])c2ccccc2)C1 ZINC000195554375 354296970 /nfs/dbraw/zinc/29/69/70/354296970.db2.gz ZXGLIGPMDNJSMF-PBHICJAKSA-N 2 2 312.417 1.901 50 0 DDAALP [NH3+][C@H]1CC[C@@H](C(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000237869438 202373310 /nfs/dbraw/zinc/37/33/10/202373310.db2.gz FLUFHSVKQSHMHV-PBHICJAKSA-N 2 2 317.433 1.262 50 0 DDAALP CCc1c[nH+]c(C)nc1N1CCC(O)(Cn2cc[nH+]c2)CC1 ZINC000065490559 407244580 /nfs/dbraw/zinc/24/45/80/407244580.db2.gz FNSDBVFQFWFWLA-UHFFFAOYSA-N 2 2 301.394 1.575 50 0 DDAALP Cc1cn2c([nH+]1)CC[C@H](NC(=O)C1CC[NH+](CC(C)C)CC1)C2 ZINC000097199255 407286267 /nfs/dbraw/zinc/28/62/67/407286267.db2.gz VWFZIEFSKMUZSQ-INIZCTEOSA-N 2 2 318.465 1.991 50 0 DDAALP Cc1cccc(NC[C@H]2CC[N@H+](Cc3nnnn3C3CC3)C2)[nH+]1 ZINC000097200932 407286684 /nfs/dbraw/zinc/28/66/84/407286684.db2.gz QUBSGZNHJLJSHQ-CYBMUJFWSA-N 2 2 313.409 1.645 50 0 DDAALP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3nnnn3C3CC3)C2)[nH+]1 ZINC000097200932 407286685 /nfs/dbraw/zinc/28/66/85/407286685.db2.gz QUBSGZNHJLJSHQ-CYBMUJFWSA-N 2 2 313.409 1.645 50 0 DDAALP C[C@H](O)C[N@@H+]1CCN(Cc2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1C ZINC000106929147 407368018 /nfs/dbraw/zinc/36/80/18/407368018.db2.gz HSIHCRXTKHQJMH-HOTGVXAUSA-N 2 2 314.433 1.759 50 0 DDAALP C[C@H](O)C[N@H+]1CCN(Cc2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1C ZINC000106929147 407368020 /nfs/dbraw/zinc/36/80/20/407368020.db2.gz HSIHCRXTKHQJMH-HOTGVXAUSA-N 2 2 314.433 1.759 50 0 DDAALP O[C@H](COC[C@H]1CCCO1)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000230204885 407686368 /nfs/dbraw/zinc/68/63/68/407686368.db2.gz MKYOAPVSWLFKHR-SOUVJXGZSA-N 2 2 309.410 1.146 50 0 DDAALP [NH3+][C@H]1CCC[C@@H](C(=O)N2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000238008854 407869028 /nfs/dbraw/zinc/86/90/28/407869028.db2.gz DUMNYMUUVZWWFT-CABCVRRESA-N 2 2 302.422 1.243 50 0 DDAALP Cc1n[nH]c(C)c1CCN(C)c1cc([C@H]2C[C@@H]([NH3+])C2)[nH+]c(N)n1 ZINC000244602022 407928139 /nfs/dbraw/zinc/92/81/39/407928139.db2.gz DWFLBIINRVLJPI-TXEJJXNPSA-N 2 2 315.425 1.282 50 0 DDAALP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@H]2CCN(CC(F)(F)F)C2)C1 ZINC000252511415 408801884 /nfs/dbraw/zinc/80/18/84/408801884.db2.gz GNRHGQFNFVUDTO-KBPBESRZSA-N 2 2 323.403 1.569 50 0 DDAALP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@H]2CCN(CC(F)(F)F)C2)C1 ZINC000252511415 408801887 /nfs/dbraw/zinc/80/18/87/408801887.db2.gz GNRHGQFNFVUDTO-KBPBESRZSA-N 2 2 323.403 1.569 50 0 DDAALP C[NH+](C)C1(CNc2cc(C3CC([NH3+])C3)[nH+]c(N)n2)CCCC1 ZINC000220205098 418561523 /nfs/dbraw/zinc/56/15/23/418561523.db2.gz MIBBFUZXCXLFDM-UHFFFAOYSA-N 3 2 304.442 1.550 50 0 DDAALP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000408525461 418808958 /nfs/dbraw/zinc/80/89/58/418808958.db2.gz SXVVNGRDEWXJPN-FVQBIDKESA-N 2 2 302.422 1.414 50 0 DDAALP Cc1ccc[nH+]c1NCCNc1cc([C@@H]2CCOC2)[nH+]c(C)n1 ZINC000426717011 419538454 /nfs/dbraw/zinc/53/84/54/419538454.db2.gz QUWYBVSGJFSJRM-CQSZACIVSA-N 2 2 313.405 2.516 50 0 DDAALP CCn1c[nH+]cc1CNC(=O)c1cc(F)ccc1OCC[NH3+] ZINC000426526508 419499307 /nfs/dbraw/zinc/49/93/07/419499307.db2.gz VPLKJFPKPPTJNM-UHFFFAOYSA-N 2 2 306.341 1.310 50 0 DDAALP C[C@@H](CC[NH+]1CCN(C2CC2)CC1)N1CC[NH+](C2CC2)CC1 ZINC000095428285 278231790 /nfs/dbraw/zinc/23/17/90/278231790.db2.gz UXWNSNUUZMTAKW-INIZCTEOSA-N 2 2 306.498 1.325 50 0 DDAALP Nc1nc(N2CCC([NH+]3CCCC3)CC2)cc(C2CC([NH3+])C2)[nH+]1 ZINC000223951252 295366740 /nfs/dbraw/zinc/36/67/40/295366740.db2.gz DKDBQZBEZTYDIE-UHFFFAOYSA-N 3 2 316.453 1.328 50 0 DDAALP O=C(NC[C@@H]1C[NH2+]Cc2ccccc21)[C@H]1CCn2cc[nH+]c2C1 ZINC000888101004 709213700 /nfs/dbraw/zinc/21/37/00/709213700.db2.gz NGGHJTXUMDRAIZ-ZFWWWQNUSA-N 2 2 310.401 1.449 50 0 DDAALP O=C1CC[C@H](CC[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)N1 ZINC000952845513 775569134 /nfs/dbraw/zinc/56/91/34/775569134.db2.gz KUWLNHPHVZVAHZ-GFCCVEGCSA-N 2 2 307.360 1.662 50 0 DDAALP Cc1ccc(-c2noc([C@H]3CCC[N@@H+]3C3CC[NH2+]CC3)n2)nn1 ZINC000095528963 185378425 /nfs/dbraw/zinc/37/84/25/185378425.db2.gz XOZFFRCFCQILDZ-CQSZACIVSA-N 2 2 314.393 1.724 50 0 DDAALP Cc1ccc(-c2noc([C@H]3CCC[N@H+]3C3CC[NH2+]CC3)n2)nn1 ZINC000095528963 185378426 /nfs/dbraw/zinc/37/84/26/185378426.db2.gz XOZFFRCFCQILDZ-CQSZACIVSA-N 2 2 314.393 1.724 50 0 DDAALP CCn1ccnc1C[NH2+]C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000072276626 191098483 /nfs/dbraw/zinc/09/84/83/191098483.db2.gz XDTUXKIZNGTOLX-CYBMUJFWSA-N 2 2 315.425 1.493 50 0 DDAALP Cc1cc(NC(=O)[C@H](C)[NH+]2CCC(c3[nH]cc[nH+]3)CC2)on1 ZINC000072289471 191108878 /nfs/dbraw/zinc/10/88/78/191108878.db2.gz RLNNYNRXWMGLCF-NSHDSACASA-N 2 2 303.366 1.913 50 0 DDAALP Cn1c(C[NH+](C)C)nnc1[C@H]1CCCN(c2cc[nH+]cc2)C1 ZINC000072418943 191157793 /nfs/dbraw/zinc/15/77/93/191157793.db2.gz JRASRLCEWJEELH-ZDUSSCGKSA-N 2 2 300.410 1.656 50 0 DDAALP COCC[N@H+](C)C[C@@H]1C[NH+](Cc2ccc(F)cc2C)C[C@@H]1CO ZINC000091657044 193086081 /nfs/dbraw/zinc/08/60/81/193086081.db2.gz RQRGGUSNOHVKGM-IAGOWNOFSA-N 2 2 324.440 1.753 50 0 DDAALP COCC[N@@H+](C)C[C@@H]1C[NH+](Cc2ccc(F)cc2C)C[C@@H]1CO ZINC000091657044 193086083 /nfs/dbraw/zinc/08/60/83/193086083.db2.gz RQRGGUSNOHVKGM-IAGOWNOFSA-N 2 2 324.440 1.753 50 0 DDAALP COCC[NH+](C)C[C@@H]1C[N@H+](Cc2ccc(F)cc2C)C[C@@H]1CO ZINC000091657044 193086085 /nfs/dbraw/zinc/08/60/85/193086085.db2.gz RQRGGUSNOHVKGM-IAGOWNOFSA-N 2 2 324.440 1.753 50 0 DDAALP COCC[NH+](C)C[C@@H]1C[N@@H+](Cc2ccc(F)cc2C)C[C@@H]1CO ZINC000091657044 193086087 /nfs/dbraw/zinc/08/60/87/193086087.db2.gz RQRGGUSNOHVKGM-IAGOWNOFSA-N 2 2 324.440 1.753 50 0 DDAALP CN1CC[C@]2(CN(c3cc[nH+]cc3F)CC[N@@H+]2C)CCC1=O ZINC000091871480 193121194 /nfs/dbraw/zinc/12/11/94/193121194.db2.gz YKJNPSXVHVTRPP-INIZCTEOSA-N 2 2 306.385 1.354 50 0 DDAALP CN1CC[C@]2(CN(c3cc[nH+]cc3F)CC[N@H+]2C)CCC1=O ZINC000091871480 193121195 /nfs/dbraw/zinc/12/11/95/193121195.db2.gz YKJNPSXVHVTRPP-INIZCTEOSA-N 2 2 306.385 1.354 50 0 DDAALP CCn1cc[nH+]c1[C@H]1CCCN(C(=O)C[N@H+](C)CCOC)C1 ZINC000091988011 193137034 /nfs/dbraw/zinc/13/70/34/193137034.db2.gz UHFRBVMVCFQEFE-AWEZNQCLSA-N 2 2 308.426 1.187 50 0 DDAALP CCn1cc[nH+]c1[C@H]1CCCN(C(=O)C[N@@H+](C)CCOC)C1 ZINC000091988011 193137036 /nfs/dbraw/zinc/13/70/36/193137036.db2.gz UHFRBVMVCFQEFE-AWEZNQCLSA-N 2 2 308.426 1.187 50 0 DDAALP Cc1nc[nH]c1C[NH+]1CCC(Cn2cc(C[NH+](C)C)nn2)CC1 ZINC000019733246 182139051 /nfs/dbraw/zinc/13/90/51/182139051.db2.gz YDCTXARYOQQQFA-UHFFFAOYSA-N 2 2 317.441 1.283 50 0 DDAALP C[C@@H]1C[N@@H+](CCCNc2[nH+]cnc3c2cnn3C)C[C@H](C)O1 ZINC000023619449 182364785 /nfs/dbraw/zinc/36/47/85/182364785.db2.gz XEKRMVCLWBRCAZ-TXEJJXNPSA-N 2 2 304.398 1.275 50 0 DDAALP C[C@@H]1C[N@H+](CCCNc2[nH+]cnc3c2cnn3C)C[C@H](C)O1 ZINC000023619449 182364786 /nfs/dbraw/zinc/36/47/86/182364786.db2.gz XEKRMVCLWBRCAZ-TXEJJXNPSA-N 2 2 304.398 1.275 50 0 DDAALP CCOc1ncccc1C[NH2+]C[C@]1(O)CCC[N@@H+]2CCCC[C@@H]21 ZINC000063856048 184290055 /nfs/dbraw/zinc/29/00/55/184290055.db2.gz PSDZOPBQNSEAMH-SJLPKXTDSA-N 2 2 319.449 1.949 50 0 DDAALP CCOc1ncccc1C[NH2+]C[C@]1(O)CCC[N@H+]2CCCC[C@@H]21 ZINC000063856048 184290056 /nfs/dbraw/zinc/29/00/56/184290056.db2.gz PSDZOPBQNSEAMH-SJLPKXTDSA-N 2 2 319.449 1.949 50 0 DDAALP CC(=O)c1ccc(N2CC[NH+](C[C@@]3(O)CCC[NH2+]C3)CC2)cc1 ZINC000077358381 406986364 /nfs/dbraw/zinc/98/63/64/406986364.db2.gz OCEOEDKSFNUOIW-GOSISDBHSA-N 2 2 317.433 1.126 50 0 DDAALP C[C@H](Cn1cc[nH+]c1)NC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000047833221 407082500 /nfs/dbraw/zinc/08/25/00/407082500.db2.gz XEBDNKZENXAJGR-OLZOCXBDSA-N 2 2 321.450 1.935 50 0 DDAALP CCc1cc(NCc2c[nH+]cn2CC)nc(N2CCOCC2)[nH+]1 ZINC000065405764 407243174 /nfs/dbraw/zinc/24/31/74/407243174.db2.gz GSLHMDIFJOOAJT-UHFFFAOYSA-N 2 2 316.409 1.704 50 0 DDAALP COc1c(C[NH2+][C@H]2CCc3[nH+]ccn3C2)c(C(C)C)nn1C ZINC000065523294 407244407 /nfs/dbraw/zinc/24/44/07/407244407.db2.gz ANILOMQDWLJQGP-LBPRGKRZSA-N 2 2 303.410 1.853 50 0 DDAALP CC(C)C[C@@H](CNC(=O)C[N@H+]1CCC[C@@H]1C)[NH+]1CCOCC1 ZINC000106872115 407363700 /nfs/dbraw/zinc/36/37/00/407363700.db2.gz QWZONTGHZDPMMN-HOTGVXAUSA-N 2 2 311.470 1.334 50 0 DDAALP C[N@H+](CCn1cc[nH+]c1)Cc1cnc(N2CCCCC2)nc1 ZINC000214949107 407479808 /nfs/dbraw/zinc/47/98/08/407479808.db2.gz XLMUPDAOGNGBDC-UHFFFAOYSA-N 2 2 300.410 1.795 50 0 DDAALP C[N@@H+](CCn1cc[nH+]c1)Cc1cnc(N2CCCCC2)nc1 ZINC000214949107 407479811 /nfs/dbraw/zinc/47/98/11/407479811.db2.gz XLMUPDAOGNGBDC-UHFFFAOYSA-N 2 2 300.410 1.795 50 0 DDAALP CSc1ncc(C[NH+]2CCC(O)(C[NH+]3CCCC3)CC2)cn1 ZINC000215652116 407487082 /nfs/dbraw/zinc/48/70/82/407487082.db2.gz OEHZRWAQZDGQLZ-UHFFFAOYSA-N 2 2 322.478 1.621 50 0 DDAALP CC[C@@H](O)C[NH+]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000071881105 280206341 /nfs/dbraw/zinc/20/63/41/280206341.db2.gz NSQMSNVYUYOYRI-SJORKVTESA-N 2 2 319.449 1.204 50 0 DDAALP CC(C)n1cc[nH+]c1CNC(=O)C[C@H]1C[N@@H+](C(C)C)CCO1 ZINC000534671360 334320524 /nfs/dbraw/zinc/32/05/24/334320524.db2.gz KMDPKYOZROYDQT-AWEZNQCLSA-N 2 2 308.426 1.580 50 0 DDAALP CC(C)n1cc[nH+]c1CNC(=O)C[C@H]1C[N@H+](C(C)C)CCO1 ZINC000534671360 334320526 /nfs/dbraw/zinc/32/05/26/334320526.db2.gz KMDPKYOZROYDQT-AWEZNQCLSA-N 2 2 308.426 1.580 50 0 DDAALP Cn1ncc2c1nc[nH+]c2N[C@H]1C[C@@H]([NH+]2CCOCC2)C1(C)C ZINC000585092025 483920125 /nfs/dbraw/zinc/92/01/25/483920125.db2.gz BHLVPRJPFQLEQO-QWHCGFSZSA-N 2 2 316.409 1.275 50 0 DDAALP CC1CC[NH+](C[C@@H](O)C[N@@H+]2CCCC[C@H]2Cn2cncn2)CC1 ZINC000257365308 490709026 /nfs/dbraw/zinc/70/90/26/490709026.db2.gz HURUJZCQMFELOI-DLBZAZTESA-N 2 2 321.469 1.225 50 0 DDAALP CC1CC[NH+](C[C@@H](O)C[N@H+]2CCCC[C@H]2Cn2cncn2)CC1 ZINC000257365308 490709028 /nfs/dbraw/zinc/70/90/28/490709028.db2.gz HURUJZCQMFELOI-DLBZAZTESA-N 2 2 321.469 1.225 50 0 DDAALP CC(C)(C(=O)NC1CC[NH+](C2CCCC2)CC1)[NH+]1CCOCC1 ZINC000253393008 186303484 /nfs/dbraw/zinc/30/34/84/186303484.db2.gz RPQZDZKWALRYKX-UHFFFAOYSA-N 2 2 323.481 1.620 50 0 DDAALP Cc1[nH+]ccn1-c1cc(NCCNC(=O)c2ccccc2)[nH+]cn1 ZINC000072434182 191166439 /nfs/dbraw/zinc/16/64/39/191166439.db2.gz NPZXFVTVDBWJAA-UHFFFAOYSA-N 2 2 322.372 1.813 50 0 DDAALP C[N@@H+]1CC[C@@H]([NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCO3)C1 ZINC000075584164 353369773 /nfs/dbraw/zinc/36/97/73/353369773.db2.gz LDLOYZRQPLTBGF-CYBMUJFWSA-N 2 2 300.362 1.599 50 0 DDAALP C[N@H+]1CC[C@@H]([NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCO3)C1 ZINC000075584164 353369776 /nfs/dbraw/zinc/36/97/76/353369776.db2.gz LDLOYZRQPLTBGF-CYBMUJFWSA-N 2 2 300.362 1.599 50 0 DDAALP COc1ccccc1C[NH+]1CCN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000237166561 202172950 /nfs/dbraw/zinc/17/29/50/202172950.db2.gz OJYWZIAUORNSEK-GDBMZVCRSA-N 2 2 317.433 1.467 50 0 DDAALP Cc1[nH+]c[nH]c1CSCCN1CC2(CC[NH2+]CC2)CCC1=O ZINC000091845400 193116876 /nfs/dbraw/zinc/11/68/76/193116876.db2.gz UUVMNECAPLGYQC-UHFFFAOYSA-N 2 2 322.478 1.944 50 0 DDAALP CC(C)n1nc(C[NH2+]CCC[NH2+]CCO)c(-c2ccccc2)n1 ZINC000261491695 203072168 /nfs/dbraw/zinc/07/21/68/203072168.db2.gz DAYJKTPUGGKXAB-UHFFFAOYSA-N 2 2 317.437 1.588 50 0 DDAALP C[N@@H+](Cc1cn(CC2CC[NH2+]CC2)nn1)C[C@@H]1CCCCO1 ZINC000023619868 182364730 /nfs/dbraw/zinc/36/47/30/182364730.db2.gz SEPFONMXFSJHDL-INIZCTEOSA-N 2 2 307.442 1.279 50 0 DDAALP C[N@H+](Cc1cn(CC2CC[NH2+]CC2)nn1)C[C@@H]1CCCCO1 ZINC000023619868 182364731 /nfs/dbraw/zinc/36/47/31/182364731.db2.gz SEPFONMXFSJHDL-INIZCTEOSA-N 2 2 307.442 1.279 50 0 DDAALP CCN(CC[NH+]1CCCCCC1)C(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC000055344512 407201788 /nfs/dbraw/zinc/20/17/88/407201788.db2.gz PPWTXXQKNKVAMR-HNNXBMFYSA-N 3 2 307.442 1.004 50 0 DDAALP C[C@@H](Cn1cc[nH+]c1)NC(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000095949487 407215743 /nfs/dbraw/zinc/21/57/43/407215743.db2.gz AWJVJTJTYWSFLU-AWEZNQCLSA-N 2 2 315.421 1.833 50 0 DDAALP CCO[C@H]1COC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000067756383 407283175 /nfs/dbraw/zinc/28/31/75/407283175.db2.gz DJQZYQRYVCUBMS-IRXDYDNUSA-N 2 2 305.422 1.440 50 0 DDAALP C[NH2+]CCNC(=O)c1cc(C[N@H+](C)Cc2ccccc2)on1 ZINC000067981759 407293047 /nfs/dbraw/zinc/29/30/47/407293047.db2.gz BIMFXHWXHUIGSX-UHFFFAOYSA-N 2 2 302.378 1.256 50 0 DDAALP C[NH2+]CCNC(=O)c1cc(C[N@@H+](C)Cc2ccccc2)on1 ZINC000067981759 407293049 /nfs/dbraw/zinc/29/30/49/407293049.db2.gz BIMFXHWXHUIGSX-UHFFFAOYSA-N 2 2 302.378 1.256 50 0 DDAALP COc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)C2)c(F)c1 ZINC000097813874 407303169 /nfs/dbraw/zinc/30/31/69/407303169.db2.gz IINMDFKJGWIQKR-HNNXBMFYSA-N 2 2 307.413 1.656 50 0 DDAALP COc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)C2)c(F)c1 ZINC000097813874 407303171 /nfs/dbraw/zinc/30/31/71/407303171.db2.gz IINMDFKJGWIQKR-HNNXBMFYSA-N 2 2 307.413 1.656 50 0 DDAALP COCC[N@@H+]1CCN(Cc2cn3cccc(C)c3[nH+]2)C[C@@H]1C ZINC000106844403 407362820 /nfs/dbraw/zinc/36/28/20/407362820.db2.gz GXFORRACVZUIGG-HNNXBMFYSA-N 2 2 302.422 1.795 50 0 DDAALP COCC[N@H+]1CCN(Cc2cn3cccc(C)c3[nH+]2)C[C@@H]1C ZINC000106844403 407362822 /nfs/dbraw/zinc/36/28/22/407362822.db2.gz GXFORRACVZUIGG-HNNXBMFYSA-N 2 2 302.422 1.795 50 0 DDAALP [NH3+][C@H]1CCN(Cc2ccc(OCCCn3cc[nH+]c3)cc2)C1 ZINC000215463825 407483701 /nfs/dbraw/zinc/48/37/01/407483701.db2.gz SMJFTBDWFAHBRE-INIZCTEOSA-N 2 2 300.406 1.885 50 0 DDAALP C[NH2+][C@@H]1CCCN(C(=O)c2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000133579388 407859005 /nfs/dbraw/zinc/85/90/05/407859005.db2.gz VFIKKLRBLUAVAX-QGZVFWFLSA-N 2 2 317.433 1.343 50 0 DDAALP Cc1cc(C)c(CNC(=O)CC[C@@H](C)[NH+]2CCOCC2)c[nH+]1 ZINC000244874166 407942547 /nfs/dbraw/zinc/94/25/47/407942547.db2.gz WVUQQSJRVMUOBI-OAHLLOKOSA-N 2 2 305.422 1.816 50 0 DDAALP COc1ccc2[nH]c(CCN(C)C(=O)[C@@H]3C=CC[NH2+]3)[nH+]c2c1 ZINC000299789156 410630025 /nfs/dbraw/zinc/63/00/25/410630025.db2.gz RYEXNZMDFUYELE-ZDUSSCGKSA-N 2 2 300.362 1.100 50 0 DDAALP C[C@@H](C(=O)NCc1[nH+]ccn1CCc1ccccc1)[NH+](C)C ZINC000584907835 539555787 /nfs/dbraw/zinc/55/57/87/539555787.db2.gz PSFUBNNVOIJQPL-AWEZNQCLSA-N 2 2 300.406 1.692 50 0 DDAALP CC(C)[NH+]1CCC(c2[nH+]ccn2CCCc2nn[nH]n2)CC1 ZINC000072174238 191071469 /nfs/dbraw/zinc/07/14/69/191071469.db2.gz NZGJSGPFQBBETM-UHFFFAOYSA-N 2 2 303.414 1.617 50 0 DDAALP O=C(C[C@H]1CC[NH2+]C1)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000130367209 354093134 /nfs/dbraw/zinc/09/31/34/354093134.db2.gz ULYHKRSKGNYYTQ-MRXNPFEDSA-N 2 2 312.417 1.590 50 0 DDAALP [NH3+]C[C@@H]1CCCCN1C(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000237854875 202370758 /nfs/dbraw/zinc/37/07/58/202370758.db2.gz ZTSSQGBFOUBTJA-KRWDZBQOSA-N 2 2 317.433 1.472 50 0 DDAALP CCCc1c[nH+]c(C)nc1N1C[C@H](CO)[C@H](C[NH+]2CCCC2)C1 ZINC000091860176 193118505 /nfs/dbraw/zinc/11/85/05/193118505.db2.gz BFAKOLQVRLWXKJ-IAGOWNOFSA-N 2 2 318.465 1.878 50 0 DDAALP CCc1cc(C(=O)N[C@H]2CCC[N@@H+](C3CC[NH+](C)CC3)C2)on1 ZINC000020453444 182219419 /nfs/dbraw/zinc/21/94/19/182219419.db2.gz OXVJHYOGGGYGIK-AWEZNQCLSA-N 2 2 320.437 1.525 50 0 DDAALP CCc1cc(C(=O)N[C@H]2CCC[N@H+](C3CC[NH+](C)CC3)C2)on1 ZINC000020453444 182219420 /nfs/dbraw/zinc/21/94/20/182219420.db2.gz OXVJHYOGGGYGIK-AWEZNQCLSA-N 2 2 320.437 1.525 50 0 DDAALP COc1cccc(CN(C)c2cc(C3CC([NH3+])C3)[nH+]c(N)n2)c1 ZINC000222853915 407562056 /nfs/dbraw/zinc/56/20/56/407562056.db2.gz TZVVEQTVSBTKQX-UHFFFAOYSA-N 2 2 313.405 1.909 50 0 DDAALP CC(C)C[C@H](CNC(=O)C[N@@H+]1CCC[C@@H]1C)[NH+]1CCOCC1 ZINC000071916677 406868292 /nfs/dbraw/zinc/86/82/92/406868292.db2.gz QWZONTGHZDPMMN-JKSUJKDBSA-N 2 2 311.470 1.334 50 0 DDAALP CC(C)C[C@H](CNC(=O)C[N@H+]1CCC[C@@H]1C)[NH+]1CCOCC1 ZINC000071916677 406868293 /nfs/dbraw/zinc/86/82/93/406868293.db2.gz QWZONTGHZDPMMN-JKSUJKDBSA-N 2 2 311.470 1.334 50 0 DDAALP O=C(C[NH+]1CCCCCC1)NCc1cccnc1-n1cc[nH+]c1 ZINC000012446831 406844758 /nfs/dbraw/zinc/84/47/58/406844758.db2.gz AISDCHCKUQEEAT-UHFFFAOYSA-N 2 2 313.405 1.760 50 0 DDAALP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCC[C@H](O)C3)c2cc1C ZINC000051091048 407135889 /nfs/dbraw/zinc/13/58/89/407135889.db2.gz JELKTQZQPVMUHF-LSDHHAIUSA-N 2 2 303.406 1.471 50 0 DDAALP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCC[C@H](O)C3)c2cc1C ZINC000051091048 407135891 /nfs/dbraw/zinc/13/58/91/407135891.db2.gz JELKTQZQPVMUHF-LSDHHAIUSA-N 2 2 303.406 1.471 50 0 DDAALP CCN1CC[C@]2(CN(c3cc[nH+]cc3F)CC[N@@H+]2C)CCC1=O ZINC000095366575 407209873 /nfs/dbraw/zinc/20/98/73/407209873.db2.gz LVVHGGFMFSYFGV-KRWDZBQOSA-N 2 2 320.412 1.744 50 0 DDAALP CCN1CC[C@]2(CN(c3cc[nH+]cc3F)CC[N@H+]2C)CCC1=O ZINC000095366575 407209875 /nfs/dbraw/zinc/20/98/75/407209875.db2.gz LVVHGGFMFSYFGV-KRWDZBQOSA-N 2 2 320.412 1.744 50 0 DDAALP CCc1c[nH+]c(C)nc1N1CCC2(CC1)C[N@H+](C)CCN2C ZINC000067712573 407281480 /nfs/dbraw/zinc/28/14/80/407281480.db2.gz JYBZONYSWZTDIF-UHFFFAOYSA-N 2 2 303.454 1.564 50 0 DDAALP CCc1c[nH+]c(C)nc1N1CCC2(CC1)C[N@@H+](C)CCN2C ZINC000067712573 407281481 /nfs/dbraw/zinc/28/14/81/407281481.db2.gz JYBZONYSWZTDIF-UHFFFAOYSA-N 2 2 303.454 1.564 50 0 DDAALP CCCn1cc[nH+]c1CN1CC[N@@H+](C)[C@@]2(C1)CCNC(=O)CC2 ZINC000107403674 407374931 /nfs/dbraw/zinc/37/49/31/407374931.db2.gz VFXLXBOBGBLQHS-QGZVFWFLSA-N 2 2 319.453 1.079 50 0 DDAALP C[C@H]1CN(C(=O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)CCO1 ZINC000222198450 407554713 /nfs/dbraw/zinc/55/47/13/407554713.db2.gz IVJSZPTVXFZNIP-GJZGRUSLSA-N 2 2 318.421 1.063 50 0 DDAALP C[C@H]1CN(C(=O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)CCO1 ZINC000222198450 407554721 /nfs/dbraw/zinc/55/47/21/407554721.db2.gz IVJSZPTVXFZNIP-GJZGRUSLSA-N 2 2 318.421 1.063 50 0 DDAALP Cc1[nH+]ccn1CCCNc1cc(C2CC([NH3+])C2)[nH+]c(N)n1 ZINC000218941499 407525817 /nfs/dbraw/zinc/52/58/17/407525817.db2.gz HNUXPVRQVXPXOL-UHFFFAOYSA-N 3 2 301.398 1.271 50 0 DDAALP CN(CCCc1[nH+]ccn1C)c1cc(C2CC(O)C2)[nH+]c(N)n1 ZINC000220090631 407538533 /nfs/dbraw/zinc/53/85/33/407538533.db2.gz XBNATNQDCCNGGM-UHFFFAOYSA-N 2 2 316.409 1.100 50 0 DDAALP CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCC[C@H]2n2cc[nH+]c2)C1 ZINC000252512781 408803601 /nfs/dbraw/zinc/80/36/01/408803601.db2.gz VNTPSWWYDCOCES-ARFHVFGLSA-N 2 2 319.453 1.960 50 0 DDAALP CC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCC[C@H]2n2cc[nH+]c2)C1 ZINC000252512781 408803602 /nfs/dbraw/zinc/80/36/02/408803602.db2.gz VNTPSWWYDCOCES-ARFHVFGLSA-N 2 2 319.453 1.960 50 0 DDAALP C[C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1n1cc[nH+]c1 ZINC000279838400 409250280 /nfs/dbraw/zinc/25/02/80/409250280.db2.gz JJXGNSOSXPSQBK-ZFWWWQNUSA-N 2 2 301.394 1.659 50 0 DDAALP OCC[C@@H]1CC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000408521870 418807790 /nfs/dbraw/zinc/80/77/90/418807790.db2.gz VYTXAWOBSSKNNO-INIZCTEOSA-N 2 2 304.434 1.723 50 0 DDAALP OCC[C@@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000408521870 418807791 /nfs/dbraw/zinc/80/77/91/418807791.db2.gz VYTXAWOBSSKNNO-INIZCTEOSA-N 2 2 304.434 1.723 50 0 DDAALP CO[C@H]1C[NH2+]C[C@@H]1NC(=O)CCc1[nH]c2ccc(C)c(C)c2[nH+]1 ZINC000534673862 334321556 /nfs/dbraw/zinc/32/15/56/334321556.db2.gz FAJBIXMHZBLXPN-KBPBESRZSA-N 2 2 316.405 1.215 50 0 DDAALP CC1CC[NH+](C[C@H](O)C[N@@H+]2CCCC[C@H]2Cn2cncn2)CC1 ZINC000257365309 490709060 /nfs/dbraw/zinc/70/90/60/490709060.db2.gz HURUJZCQMFELOI-IRXDYDNUSA-N 2 2 321.469 1.225 50 0 DDAALP CC1CC[NH+](C[C@H](O)C[N@H+]2CCCC[C@H]2Cn2cncn2)CC1 ZINC000257365309 490709062 /nfs/dbraw/zinc/70/90/62/490709062.db2.gz HURUJZCQMFELOI-IRXDYDNUSA-N 2 2 321.469 1.225 50 0 DDAALP C[C@H]1C[NH+](CC2CC[NH+](Cc3cn(C)nn3)CC2)C[C@H](C)O1 ZINC000095445417 185367444 /nfs/dbraw/zinc/36/74/44/185367444.db2.gz RNHWHVJEMWHHKJ-KBPBESRZSA-N 2 2 307.442 1.136 50 0 DDAALP c1cn(CC2CCN(c3ncnc4c3CC[NH2+]CC4)CC2)c[nH+]1 ZINC000072438880 191167533 /nfs/dbraw/zinc/16/75/33/191167533.db2.gz IGHUDTVLQLAFGJ-UHFFFAOYSA-N 2 2 312.421 1.278 50 0 DDAALP CC[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1[NH+]1CCOCC1 ZINC000084735801 353727335 /nfs/dbraw/zinc/72/73/35/353727335.db2.gz YTBSHNSTGAWMTP-HZPDHXFCSA-N 2 2 320.437 1.233 50 0 DDAALP CNC(=O)[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)CCO1 ZINC000192172694 354289903 /nfs/dbraw/zinc/28/99/03/354289903.db2.gz ZWCTWGXAAROHAP-INIZCTEOSA-N 2 2 314.389 1.128 50 0 DDAALP CNC(=O)[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)CCO1 ZINC000192172694 354289907 /nfs/dbraw/zinc/28/99/07/354289907.db2.gz ZWCTWGXAAROHAP-INIZCTEOSA-N 2 2 314.389 1.128 50 0 DDAALP CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)[C@@H](C)[NH3+] ZINC000195554685 354296919 /nfs/dbraw/zinc/29/69/19/354296919.db2.gz HAVIEWDUZPQNNP-LXZKKBNFSA-N 2 2 318.465 1.796 50 0 DDAALP CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)[C@@H](C)[NH3+] ZINC000195554685 354296922 /nfs/dbraw/zinc/29/69/22/354296922.db2.gz HAVIEWDUZPQNNP-LXZKKBNFSA-N 2 2 318.465 1.796 50 0 DDAALP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000237434580 202265000 /nfs/dbraw/zinc/26/50/00/202265000.db2.gz LQEDFMKZMZESHW-IJEWVQPXSA-N 2 2 302.422 1.414 50 0 DDAALP O=C1CC[C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C2(CCC2)N1 ZINC000338794710 250138541 /nfs/dbraw/zinc/13/85/41/250138541.db2.gz QVXLWFPFDVGCFO-OAHLLOKOSA-N 2 2 314.433 1.841 50 0 DDAALP O=C1OCC[C@@H]1[NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000069518173 406728125 /nfs/dbraw/zinc/72/81/25/406728125.db2.gz MOZQQTBKMDBHNQ-DLBZAZTESA-N 2 2 318.417 1.337 50 0 DDAALP Cc1[nH+]cc(C[NH2+][C@@H]2CC(=O)N(Cc3cccc(F)c3)C2)n1C ZINC000011820320 406831027 /nfs/dbraw/zinc/83/10/27/406831027.db2.gz OWPAYNOGIXPKFE-OAHLLOKOSA-N 2 2 316.380 1.758 50 0 DDAALP C[NH+](C)CC(=O)N[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000015080396 406878516 /nfs/dbraw/zinc/87/85/16/406878516.db2.gz IBKLQJNUISZKGC-HNNXBMFYSA-N 2 2 309.841 1.982 50 0 DDAALP C[NH+](C)CC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000015080396 406878518 /nfs/dbraw/zinc/87/85/18/406878518.db2.gz IBKLQJNUISZKGC-HNNXBMFYSA-N 2 2 309.841 1.982 50 0 DDAALP [NH3+][C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000095354399 407208466 /nfs/dbraw/zinc/20/84/66/407208466.db2.gz MNFHXWZJRBOJCU-CYBMUJFWSA-N 2 2 309.373 1.346 50 0 DDAALP [NH3+][C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000095354399 407208467 /nfs/dbraw/zinc/20/84/67/407208467.db2.gz MNFHXWZJRBOJCU-CYBMUJFWSA-N 2 2 309.373 1.346 50 0 DDAALP CCc1[nH+]c(N)nc(N2CCC(O)(Cn3cc[nH+]c3)CC2)c1C ZINC000095387603 407213024 /nfs/dbraw/zinc/21/30/24/407213024.db2.gz YUKAXWZEMVMULQ-UHFFFAOYSA-N 2 2 316.409 1.158 50 0 DDAALP O=C([C@@H]1CCC[N@@H+]1Cc1ccccc1)N1CCc2[nH]c[nH+]c2C1 ZINC000096138594 407239528 /nfs/dbraw/zinc/23/95/28/407239528.db2.gz RFBNZFGIHGJDSI-KRWDZBQOSA-N 2 2 310.401 1.959 50 0 DDAALP O=C([C@@H]1CCC[N@H+]1Cc1ccccc1)N1CCc2[nH]c[nH+]c2C1 ZINC000096138594 407239530 /nfs/dbraw/zinc/23/95/30/407239530.db2.gz RFBNZFGIHGJDSI-KRWDZBQOSA-N 2 2 310.401 1.959 50 0 DDAALP O=C([C@@H]1CCC[N@@H+]1Cc1ccccc1)N1CCc2[nH+]c[nH]c2C1 ZINC000096138594 407239531 /nfs/dbraw/zinc/23/95/31/407239531.db2.gz RFBNZFGIHGJDSI-KRWDZBQOSA-N 2 2 310.401 1.959 50 0 DDAALP O=C([C@@H]1CCC[N@H+]1Cc1ccccc1)N1CCc2[nH+]c[nH]c2C1 ZINC000096138594 407239533 /nfs/dbraw/zinc/23/95/33/407239533.db2.gz RFBNZFGIHGJDSI-KRWDZBQOSA-N 2 2 310.401 1.959 50 0 DDAALP Cc1ccc(O)c(C[NH+]2CCN(c3cc(C)[nH+]c(N)n3)CC2)n1 ZINC000065526293 407244278 /nfs/dbraw/zinc/24/42/78/407244278.db2.gz OLZLQWYFDYQSQK-UHFFFAOYSA-N 2 2 314.393 1.098 50 0 DDAALP Cc1ccc(NC[C@H]2CC[N@H+](CC(=O)Nc3ccon3)C2)[nH+]c1 ZINC000097200790 407286248 /nfs/dbraw/zinc/28/62/48/407286248.db2.gz IASDJWSIHGUOMQ-CYBMUJFWSA-N 2 2 315.377 1.751 50 0 DDAALP Cc1ccc(NC[C@H]2CC[N@@H+](CC(=O)Nc3ccon3)C2)[nH+]c1 ZINC000097200790 407286250 /nfs/dbraw/zinc/28/62/50/407286250.db2.gz IASDJWSIHGUOMQ-CYBMUJFWSA-N 2 2 315.377 1.751 50 0 DDAALP C[N@@H+]1CCN2CC[NH+](Cc3ccc(-c4cc[nH]n4)s3)C[C@@H]2C1 ZINC000067894359 407288873 /nfs/dbraw/zinc/28/88/73/407288873.db2.gz KRJASVFJHYWATF-ZDUSSCGKSA-N 2 2 317.462 1.570 50 0 DDAALP C[N@H+]1CCN2CC[NH+](Cc3ccc(-c4cc[nH]n4)s3)C[C@@H]2C1 ZINC000067894359 407288874 /nfs/dbraw/zinc/28/88/74/407288874.db2.gz KRJASVFJHYWATF-ZDUSSCGKSA-N 2 2 317.462 1.570 50 0 DDAALP C[NH+]1CCN2CC[N@H+](Cc3ccc(-c4cc[nH]n4)s3)C[C@@H]2C1 ZINC000067894359 407288875 /nfs/dbraw/zinc/28/88/75/407288875.db2.gz KRJASVFJHYWATF-ZDUSSCGKSA-N 2 2 317.462 1.570 50 0 DDAALP C[NH+]1CCN2CC[N@@H+](Cc3ccc(-c4cc[nH]n4)s3)C[C@@H]2C1 ZINC000067894359 407288876 /nfs/dbraw/zinc/28/88/76/407288876.db2.gz KRJASVFJHYWATF-ZDUSSCGKSA-N 2 2 317.462 1.570 50 0 DDAALP CCOCC[N@@H+]1CCN(C(=O)c2ccc3[nH+]ccn3c2)C[C@@H]1C ZINC000172218635 407812627 /nfs/dbraw/zinc/81/26/27/407812627.db2.gz YXFOMRSDEAIMDX-AWEZNQCLSA-N 2 2 316.405 1.517 50 0 DDAALP CCOCC[N@H+]1CCN(C(=O)c2ccc3[nH+]ccn3c2)C[C@@H]1C ZINC000172218635 407812632 /nfs/dbraw/zinc/81/26/32/407812632.db2.gz YXFOMRSDEAIMDX-AWEZNQCLSA-N 2 2 316.405 1.517 50 0 DDAALP Cc1ncsc1CCN(C)c1cc([C@H]2C[C@@H]([NH3+])C2)[nH+]c(N)n1 ZINC000244678803 407932384 /nfs/dbraw/zinc/93/23/84/407932384.db2.gz IKRJEBDCDVNWPR-PHIMTYICSA-N 2 2 318.450 1.707 50 0 DDAALP COC(=O)N1CC[C@H]([NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000252477897 408795639 /nfs/dbraw/zinc/79/56/39/408795639.db2.gz XJWXFQZDYYRPTQ-HYVNUMGLSA-N 2 2 317.433 1.937 50 0 DDAALP COC(=O)N1CC[C@H]([NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000252477897 408795643 /nfs/dbraw/zinc/79/56/43/408795643.db2.gz XJWXFQZDYYRPTQ-HYVNUMGLSA-N 2 2 317.433 1.937 50 0 DDAALP CC(C)C[N@@H+]1C[C@H]([NH3+])C[C@H]1C(=O)NCCc1ccccc1F ZINC000299781464 410624660 /nfs/dbraw/zinc/62/46/60/410624660.db2.gz RNLPYYAJTPKCOC-ZBFHGGJFSA-N 2 2 307.413 1.542 50 0 DDAALP CC(C)C[N@H+]1C[C@H]([NH3+])C[C@H]1C(=O)NCCc1ccccc1F ZINC000299781464 410624663 /nfs/dbraw/zinc/62/46/63/410624663.db2.gz RNLPYYAJTPKCOC-ZBFHGGJFSA-N 2 2 307.413 1.542 50 0 DDAALP CC(C)[N@@H+]1CC[C@@H](CN(C)C(=O)C[NH+](C)Cc2ccccn2)C1 ZINC000299795641 410634912 /nfs/dbraw/zinc/63/49/12/410634912.db2.gz LPCYOLWIRFZQAU-INIZCTEOSA-N 2 2 318.465 1.702 50 0 DDAALP CC(C)[N@H+]1CC[C@@H](CN(C)C(=O)C[NH+](C)Cc2ccccn2)C1 ZINC000299795641 410634918 /nfs/dbraw/zinc/63/49/18/410634918.db2.gz LPCYOLWIRFZQAU-INIZCTEOSA-N 2 2 318.465 1.702 50 0 DDAALP CC(C)[NH+]1CC[C@@H](CN(C)C(=O)C[N@H+](C)Cc2ccccn2)C1 ZINC000299795641 410634923 /nfs/dbraw/zinc/63/49/23/410634923.db2.gz LPCYOLWIRFZQAU-INIZCTEOSA-N 2 2 318.465 1.702 50 0 DDAALP CC(C)[NH+]1CC[C@@H](CN(C)C(=O)C[N@@H+](C)Cc2ccccn2)C1 ZINC000299795641 410634926 /nfs/dbraw/zinc/63/49/26/410634926.db2.gz LPCYOLWIRFZQAU-INIZCTEOSA-N 2 2 318.465 1.702 50 0 DDAALP C[NH+](C)C[C@@H]1C[N@H+](C)C[C@H]1NC(=O)c1ccc2ncccc2c1 ZINC000169790636 697346686 /nfs/dbraw/zinc/34/66/86/697346686.db2.gz ZKIXAJNJFYWWTC-NVXWUHKLSA-N 2 2 312.417 1.456 50 0 DDAALP C[NH+](C)C[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)c1ccc2ncccc2c1 ZINC000169790636 697346688 /nfs/dbraw/zinc/34/66/88/697346688.db2.gz ZKIXAJNJFYWWTC-NVXWUHKLSA-N 2 2 312.417 1.456 50 0 DDAALP CC1(C)NC(=O)CC[C@@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000585080592 771926811 /nfs/dbraw/zinc/92/68/11/771926811.db2.gz DLDXNDABRSKFIG-AWEZNQCLSA-N 2 2 302.422 1.697 50 0 DDAALP c1ccc(C[NH+]2CCO[C@H](CN[C@@H]3CC[N@@H+](C4CC4)C3)C2)cc1 ZINC000075093148 353345985 /nfs/dbraw/zinc/34/59/85/353345985.db2.gz DGRPSFXYMARBPA-IEBWSBKVSA-N 2 2 315.461 1.714 50 0 DDAALP c1ccc(C[NH+]2CCO[C@H](CN[C@@H]3CC[N@H+](C4CC4)C3)C2)cc1 ZINC000075093148 353345986 /nfs/dbraw/zinc/34/59/86/353345986.db2.gz DGRPSFXYMARBPA-IEBWSBKVSA-N 2 2 315.461 1.714 50 0 DDAALP c1ccc(C[N@@H+]2CCO[C@H](CN[C@@H]3CC[NH+](C4CC4)C3)C2)cc1 ZINC000075093148 353345988 /nfs/dbraw/zinc/34/59/88/353345988.db2.gz DGRPSFXYMARBPA-IEBWSBKVSA-N 2 2 315.461 1.714 50 0 DDAALP c1ccc(C[N@H+]2CCO[C@H](CN[C@@H]3CC[NH+](C4CC4)C3)C2)cc1 ZINC000075093148 353345989 /nfs/dbraw/zinc/34/59/89/353345989.db2.gz DGRPSFXYMARBPA-IEBWSBKVSA-N 2 2 315.461 1.714 50 0 DDAALP C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)c2ccc(C[NH3+])o2)C[C@H](C)O1 ZINC000237617373 202305761 /nfs/dbraw/zinc/30/57/61/202305761.db2.gz JWQWZSHQCDSQFP-HZSPNIEDSA-N 2 2 321.421 1.452 50 0 DDAALP C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)c2ccc(C[NH3+])o2)C[C@H](C)O1 ZINC000237617373 202305765 /nfs/dbraw/zinc/30/57/65/202305765.db2.gz JWQWZSHQCDSQFP-HZSPNIEDSA-N 2 2 321.421 1.452 50 0 DDAALP COc1ccc(CCN2C[C@H]([NH2+]Cc3c[nH+]c[nH]3)CC2=O)cc1 ZINC000012302338 406839712 /nfs/dbraw/zinc/83/97/12/406839712.db2.gz VGLZEIWLKTUDDT-CQSZACIVSA-N 2 2 314.389 1.352 50 0 DDAALP COCC[N@@H+]1CC[C@H](C[NH+]2CCN(c3cc[nH+]cc3C)CC2)C1 ZINC000020996283 406889357 /nfs/dbraw/zinc/88/93/57/406889357.db2.gz AHXOQKZAPDSPOH-KRWDZBQOSA-N 3 2 318.465 1.480 50 0 DDAALP COCC[N@H+]1CC[C@H](C[NH+]2CCN(c3cc[nH+]cc3C)CC2)C1 ZINC000020996283 406889359 /nfs/dbraw/zinc/88/93/59/406889359.db2.gz AHXOQKZAPDSPOH-KRWDZBQOSA-N 3 2 318.465 1.480 50 0 DDAALP O=C1C[C@H]([NH2+]Cc2c[nH+]c[nH]2)CN1CCc1cccc(Cl)c1 ZINC000012316257 406840798 /nfs/dbraw/zinc/84/07/98/406840798.db2.gz PQCQHBTYJXJSQB-AWEZNQCLSA-N 2 2 318.808 1.996 50 0 DDAALP CCn1c(CN(C)C)nnc1C1CC[NH+](CC(C)(C)[NH3+])CC1 ZINC000077386999 406989199 /nfs/dbraw/zinc/98/91/99/406989199.db2.gz ZRTHTFINFWVFCB-UHFFFAOYSA-N 2 2 308.474 1.276 50 0 DDAALP CC(=O)Nc1cccc(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000096424591 407264080 /nfs/dbraw/zinc/26/40/80/407264080.db2.gz TXMJSOBTPZLLMX-KRWDZBQOSA-N 2 2 317.433 1.799 50 0 DDAALP CC(=O)Nc1cccc(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000096424591 407264081 /nfs/dbraw/zinc/26/40/81/407264081.db2.gz TXMJSOBTPZLLMX-KRWDZBQOSA-N 2 2 317.433 1.799 50 0 DDAALP CC(C)n1nnnc1C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000170590941 407444184 /nfs/dbraw/zinc/44/41/84/407444184.db2.gz DRPAAOCGOVNWPI-ZDUSSCGKSA-N 2 2 303.414 1.442 50 0 DDAALP CC(C)n1nnnc1C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000170590941 407444192 /nfs/dbraw/zinc/44/41/92/407444192.db2.gz DRPAAOCGOVNWPI-ZDUSSCGKSA-N 2 2 303.414 1.442 50 0 DDAALP C[NH+](C)CCN(Cc1ccccc1)C(=O)NCCc1[nH]cc[nH+]1 ZINC000534635783 334309285 /nfs/dbraw/zinc/30/92/85/334309285.db2.gz FJJMUZPVKXNTEI-UHFFFAOYSA-N 2 2 315.421 1.726 50 0 DDAALP Cc1ncc(CO)c(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1O ZINC000670467213 484846604 /nfs/dbraw/zinc/84/66/04/484846604.db2.gz CLAYQFDNFPJQLE-LBPRGKRZSA-N 2 2 302.378 1.691 50 0 DDAALP Cc1ncc(CO)c(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1O ZINC000670467213 484846606 /nfs/dbraw/zinc/84/66/06/484846606.db2.gz CLAYQFDNFPJQLE-LBPRGKRZSA-N 2 2 302.378 1.691 50 0 DDAALP Cc1ccc[nH+]c1NCCNc1cc(C2CC([NH3+])C2)[nH+]c(N)n1 ZINC000219357047 539264768 /nfs/dbraw/zinc/26/47/68/539264768.db2.gz RYFRVUSKIWMGRK-UHFFFAOYSA-N 3 2 313.409 1.491 50 0 DDAALP CC(C)[N@@H+]1CCC[C@H](c2nnc(C[NH+]3CCC(O)CC3)n2C)C1 ZINC000072447273 191168328 /nfs/dbraw/zinc/16/83/28/191168328.db2.gz OBJHMJSPLMDKBD-AWEZNQCLSA-N 2 2 321.469 1.360 50 0 DDAALP CC(C)[N@H+]1CCC[C@H](c2nnc(C[NH+]3CCC(O)CC3)n2C)C1 ZINC000072447273 191168330 /nfs/dbraw/zinc/16/83/30/191168330.db2.gz OBJHMJSPLMDKBD-AWEZNQCLSA-N 2 2 321.469 1.360 50 0 DDAALP CN(C)C(=O)C[NH+]1CCC([NH2+]Cc2cc(F)ccc2F)CC1 ZINC000237153062 202168819 /nfs/dbraw/zinc/16/88/19/202168819.db2.gz MCSISKFUWWIHON-UHFFFAOYSA-N 2 2 311.376 1.607 50 0 DDAALP CCCc1nc(N2C[C@H](CO)[C@H](C[N@H+](C)CC)C2)cc(C)[nH+]1 ZINC000091433924 193054930 /nfs/dbraw/zinc/05/49/30/193054930.db2.gz CGZKKXIZUKTRIM-HUUCEWRRSA-N 2 2 306.454 1.734 50 0 DDAALP CCCc1nc(N2C[C@H](CO)[C@H](C[N@@H+](C)CC)C2)cc(C)[nH+]1 ZINC000091433924 193054932 /nfs/dbraw/zinc/05/49/32/193054932.db2.gz CGZKKXIZUKTRIM-HUUCEWRRSA-N 2 2 306.454 1.734 50 0 DDAALP Cc1cccc(N2CC[N@H+](CCN3CCOC3=O)[C@H](C)C2)[nH+]1 ZINC000071908413 406866977 /nfs/dbraw/zinc/86/69/77/406866977.db2.gz NNTXGLIMAUXRLC-CQSZACIVSA-N 2 2 304.394 1.353 50 0 DDAALP Cc1cccc(N2CC[N@@H+](CCN3CCOC3=O)[C@H](C)C2)[nH+]1 ZINC000071908413 406866980 /nfs/dbraw/zinc/86/69/80/406866980.db2.gz NNTXGLIMAUXRLC-CQSZACIVSA-N 2 2 304.394 1.353 50 0 DDAALP CCCC[C@H](C(N)=O)[NH+]1CCN(c2cc[nH+]cc2Cl)CC1 ZINC000096487498 407272668 /nfs/dbraw/zinc/27/26/68/407272668.db2.gz UMKSJFBHFNFQKX-CQSZACIVSA-N 2 2 310.829 1.901 50 0 DDAALP NC(=O)[C@H]1C[N@H+](Cc2ccc(C[NH+]3CCCC3)s2)CCO1 ZINC000097243758 407289116 /nfs/dbraw/zinc/28/91/16/407289116.db2.gz SYLFAKBZNWLKCC-CQSZACIVSA-N 2 2 309.435 1.030 50 0 DDAALP NC(=O)[C@H]1C[N@@H+](Cc2ccc(C[NH+]3CCCC3)s2)CCO1 ZINC000097243758 407289119 /nfs/dbraw/zinc/28/91/19/407289119.db2.gz SYLFAKBZNWLKCC-CQSZACIVSA-N 2 2 309.435 1.030 50 0 DDAALP c1cn2ccc(CNc3nc(N[C@@H]4CCCOC4)cc[nH+]3)cc2[nH+]1 ZINC000357436689 410040079 /nfs/dbraw/zinc/04/00/79/410040079.db2.gz JWEUWBPOLZLVSV-CQSZACIVSA-N 2 2 324.388 2.327 50 0 DDAALP c1cc(OCC[NH+]2CCOCC2)ccc1C[NH2+]C[C@H]1CCCO1 ZINC000299762341 410611499 /nfs/dbraw/zinc/61/14/99/410611499.db2.gz VGKFIFWNAWNWLS-GOSISDBHSA-N 2 2 320.433 1.666 50 0 DDAALP O=C(C[C@@H]1CC[NH2+]C1)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000130653946 196099233 /nfs/dbraw/zinc/09/92/33/196099233.db2.gz WPZDLRYMJRHVAK-AWEZNQCLSA-N 2 2 303.406 1.036 50 0 DDAALP C[C@H](C(=O)NCC(F)(F)F)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000221946789 539265246 /nfs/dbraw/zinc/26/52/46/539265246.db2.gz WAUHAPFBSPARSF-NXEZZACHSA-N 2 2 304.316 1.656 50 0 DDAALP C[C@H](C(=O)NCC(F)(F)F)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000221946789 539265248 /nfs/dbraw/zinc/26/52/48/539265248.db2.gz WAUHAPFBSPARSF-NXEZZACHSA-N 2 2 304.316 1.656 50 0 DDAALP Cc1ccc(N2CCC[C@H](c3[nH+]ccn3CC[NH+](C)C)C2)nn1 ZINC000095392890 185351968 /nfs/dbraw/zinc/35/19/68/185351968.db2.gz PURLFWZWOHGTLN-HNNXBMFYSA-N 2 2 314.437 1.927 50 0 DDAALP CC(C)C[N@@H+]1CC[C@@H]2[C@@H](CCC(=O)N2CCc2c[nH+]c[nH]2)C1 ZINC000072473439 191175856 /nfs/dbraw/zinc/17/58/56/191175856.db2.gz MIIPBLQWRYTVGF-GOEBONIOSA-N 2 2 304.438 1.921 50 0 DDAALP CC(C)C[N@H+]1CC[C@@H]2[C@@H](CCC(=O)N2CCc2c[nH+]c[nH]2)C1 ZINC000072473439 191175858 /nfs/dbraw/zinc/17/58/58/191175858.db2.gz MIIPBLQWRYTVGF-GOEBONIOSA-N 2 2 304.438 1.921 50 0 DDAALP CC(C)C[N@@H+]1CC[C@@H]2[C@@H](CCC(=O)N2CCc2c[nH]c[nH+]2)C1 ZINC000072473439 191175859 /nfs/dbraw/zinc/17/58/59/191175859.db2.gz MIIPBLQWRYTVGF-GOEBONIOSA-N 2 2 304.438 1.921 50 0 DDAALP CC(C)C[N@H+]1CC[C@@H]2[C@@H](CCC(=O)N2CCc2c[nH]c[nH+]2)C1 ZINC000072473439 191175861 /nfs/dbraw/zinc/17/58/61/191175861.db2.gz MIIPBLQWRYTVGF-GOEBONIOSA-N 2 2 304.438 1.921 50 0 DDAALP C[C@H]1C[C@@H]([NH2+]CCc2nnc3n2CCCCC3)C[N@@H+]1C1CC1 ZINC000095410329 291083423 /nfs/dbraw/zinc/08/34/23/291083423.db2.gz CPOLRYPGLKMQGW-UONOGXRCSA-N 2 2 303.454 1.762 50 0 DDAALP C[C@H]1C[C@@H]([NH2+]CCc2nnc3n2CCCCC3)C[N@H+]1C1CC1 ZINC000095410329 291083424 /nfs/dbraw/zinc/08/34/24/291083424.db2.gz CPOLRYPGLKMQGW-UONOGXRCSA-N 2 2 303.454 1.762 50 0 DDAALP C[C@@H](Cn1cc[nH+]c1)[NH2+]CC1(N2CCOCC2)CCCCC1 ZINC000065527064 184360249 /nfs/dbraw/zinc/36/02/49/184360249.db2.gz SXFAXHMPAVPNLN-INIZCTEOSA-N 2 2 306.454 1.896 50 0 DDAALP CCC1(CC)CN(c2cc(C3CC([NH3+])C3)[nH+]c(N)n2)CCO1 ZINC000223451449 407569968 /nfs/dbraw/zinc/56/99/68/407569968.db2.gz SICMQCWVBUQWCL-UHFFFAOYSA-N 2 2 305.426 1.659 50 0 DDAALP CC[NH+](CC)Cc1ccc(C(=O)N2CC[NH+](C[C@@H](C)O)CC2)o1 ZINC000069952202 406795828 /nfs/dbraw/zinc/79/58/28/406795828.db2.gz QJTLNPYCYVCXHE-CQSZACIVSA-N 2 2 323.437 1.260 50 0 DDAALP C[N@@H+]1CCCC[C@H]1C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000012835716 406852192 /nfs/dbraw/zinc/85/21/92/406852192.db2.gz DHOZBRDCELHRCV-HNNXBMFYSA-N 2 2 318.421 1.019 50 0 DDAALP C[N@H+]1CCCC[C@H]1C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000012835716 406852194 /nfs/dbraw/zinc/85/21/94/406852194.db2.gz DHOZBRDCELHRCV-HNNXBMFYSA-N 2 2 318.421 1.019 50 0 DDAALP C[C@@H]([NH3+])C(=O)NCc1ccc[nH+]c1N1CCc2ccccc2C1 ZINC000067677232 407279897 /nfs/dbraw/zinc/27/98/97/407279897.db2.gz HQSDADGFVUEOJR-CYBMUJFWSA-N 2 2 310.401 1.608 50 0 DDAALP O=C([C@H]1CC12CC[NH2+]CC2)N1CC[NH+](Cc2cccnc2)CC1 ZINC000299791667 410629940 /nfs/dbraw/zinc/62/99/40/410629940.db2.gz HIDBEDIIXVRNGE-MRXNPFEDSA-N 2 2 314.433 1.116 50 0 DDAALP c1ccc(C[NH+]2CCO[C@@H](CN[C@H]3CC[N@@H+](C4CC4)C3)C2)cc1 ZINC000252667699 222247466 /nfs/dbraw/zinc/24/74/66/222247466.db2.gz DGRPSFXYMARBPA-HKUYNNGSSA-N 2 2 315.461 1.714 50 0 DDAALP c1ccc(C[NH+]2CCO[C@@H](CN[C@H]3CC[N@H+](C4CC4)C3)C2)cc1 ZINC000252667699 222247469 /nfs/dbraw/zinc/24/74/69/222247469.db2.gz DGRPSFXYMARBPA-HKUYNNGSSA-N 2 2 315.461 1.714 50 0 DDAALP c1ccc(C[N@@H+]2CCO[C@@H](CN[C@H]3CC[NH+](C4CC4)C3)C2)cc1 ZINC000252667699 222247472 /nfs/dbraw/zinc/24/74/72/222247472.db2.gz DGRPSFXYMARBPA-HKUYNNGSSA-N 2 2 315.461 1.714 50 0 DDAALP c1ccc(C[N@H+]2CCO[C@@H](CN[C@H]3CC[NH+](C4CC4)C3)C2)cc1 ZINC000252667699 222247474 /nfs/dbraw/zinc/24/74/74/222247474.db2.gz DGRPSFXYMARBPA-HKUYNNGSSA-N 2 2 315.461 1.714 50 0 DDAALP Cc1cc(C)c(C[N@@H+]2CCO[C@H](C[NH3+])C2)cc1Cn1cncn1 ZINC000426395443 419455966 /nfs/dbraw/zinc/45/59/66/419455966.db2.gz VYQNNMBTRCIEBA-QGZVFWFLSA-N 2 2 315.421 1.103 50 0 DDAALP Cc1cc(C)c(C[N@H+]2CCO[C@H](C[NH3+])C2)cc1Cn1cncn1 ZINC000426395443 419455972 /nfs/dbraw/zinc/45/59/72/419455972.db2.gz VYQNNMBTRCIEBA-QGZVFWFLSA-N 2 2 315.421 1.103 50 0 DDAALP Cc1nc(C[N@@H+]2CCC[C@H](CNC(=O)C3([NH3+])CCCC3)C2)c[nH]1 ZINC000067920824 696365259 /nfs/dbraw/zinc/36/52/59/696365259.db2.gz OCKABOKWCUGHOU-CQSZACIVSA-N 2 2 319.453 1.318 50 0 DDAALP Cc1nc(C[N@H+]2CCC[C@H](CNC(=O)C3([NH3+])CCCC3)C2)c[nH]1 ZINC000067920824 696365260 /nfs/dbraw/zinc/36/52/60/696365260.db2.gz OCKABOKWCUGHOU-CQSZACIVSA-N 2 2 319.453 1.318 50 0 DDAALP Cc1ncc(C[N@@H+]2CCC[C@H](CNC(=O)C3([NH3+])CCCC3)C2)[nH]1 ZINC000067920824 696365261 /nfs/dbraw/zinc/36/52/61/696365261.db2.gz OCKABOKWCUGHOU-CQSZACIVSA-N 2 2 319.453 1.318 50 0 DDAALP Cc1ncc(C[N@H+]2CCC[C@H](CNC(=O)C3([NH3+])CCCC3)C2)[nH]1 ZINC000067920824 696365262 /nfs/dbraw/zinc/36/52/62/696365262.db2.gz OCKABOKWCUGHOU-CQSZACIVSA-N 2 2 319.453 1.318 50 0 DDAALP Cc1[nH+]c[nH]c1CSCCNC(=O)[C@@H]1CCCCC[N@H+]1C ZINC000952862130 775590225 /nfs/dbraw/zinc/59/02/25/775590225.db2.gz LWLPERNZLBVAGA-AWEZNQCLSA-N 2 2 310.467 1.942 50 0 DDAALP Cc1[nH+]c[nH]c1CSCCNC(=O)[C@@H]1CCCCC[N@@H+]1C ZINC000952862130 775590234 /nfs/dbraw/zinc/59/02/34/775590234.db2.gz LWLPERNZLBVAGA-AWEZNQCLSA-N 2 2 310.467 1.942 50 0 DDAALP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H](C)C[C@@H]1CCC(=O)N1 ZINC000319571177 354522277 /nfs/dbraw/zinc/52/22/77/354522277.db2.gz SYUUQNBAMYIJNB-OCCSQVGLSA-N 2 2 300.406 1.992 50 0 DDAALP CN(CCn1cc[nH+]c1)C(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000584902601 354801734 /nfs/dbraw/zinc/80/17/34/354801734.db2.gz OYUHBJDMPKYRSS-HNNXBMFYSA-N 2 2 313.405 1.653 50 0 DDAALP CNC(=O)[C@@H]1C[C@@H]([NH3+])CN1c1cc(C)[nH+]c(-c2ccccc2)n1 ZINC000091547332 193071288 /nfs/dbraw/zinc/07/12/88/193071288.db2.gz WZSPBTPVXGYYFD-KGLIPLIRSA-N 2 2 311.389 1.104 50 0 DDAALP Cc1cc(C[NH+]2C[C@H](CO)[C@H](C[N@H+](C)CCO)C2)ccc1F ZINC000091934793 193128925 /nfs/dbraw/zinc/12/89/25/193128925.db2.gz JPLQLRZSLWSFCA-HZPDHXFCSA-N 2 2 310.413 1.099 50 0 DDAALP Cc1cc(C[NH+]2C[C@H](CO)[C@H](C[N@@H+](C)CCO)C2)ccc1F ZINC000091934793 193128926 /nfs/dbraw/zinc/12/89/26/193128926.db2.gz JPLQLRZSLWSFCA-HZPDHXFCSA-N 2 2 310.413 1.099 50 0 DDAALP Cc1cc(C[N@@H+]2C[C@H](CO)[C@H](C[NH+](C)CCO)C2)ccc1F ZINC000091934793 193128928 /nfs/dbraw/zinc/12/89/28/193128928.db2.gz JPLQLRZSLWSFCA-HZPDHXFCSA-N 2 2 310.413 1.099 50 0 DDAALP Cc1cc(C[N@H+]2C[C@H](CO)[C@H](C[NH+](C)CCO)C2)ccc1F ZINC000091934793 193128930 /nfs/dbraw/zinc/12/89/30/193128930.db2.gz JPLQLRZSLWSFCA-HZPDHXFCSA-N 2 2 310.413 1.099 50 0 DDAALP CC[NH+](CC)C[C@H](C)NC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000058391452 184111402 /nfs/dbraw/zinc/11/14/02/184111402.db2.gz RQQQWYLFAWKGRP-ZDUSSCGKSA-N 2 2 301.394 1.727 50 0 DDAALP Cc1[nH+]c2ccccc2n1CC(=O)N1CCC([NH+](C)C)CC1 ZINC000071828410 406848845 /nfs/dbraw/zinc/84/88/45/406848845.db2.gz CPKVZGRTIQGAFH-UHFFFAOYSA-N 2 2 300.406 1.897 50 0 DDAALP [NH3+]CC[C@H]1C[N@H+](Cc2cc(=O)c3cccc(F)c3[nH]2)CCO1 ZINC000091254567 407181323 /nfs/dbraw/zinc/18/13/23/407181323.db2.gz ITHDMLOKHPUFQM-LBPRGKRZSA-N 2 2 305.353 1.217 50 0 DDAALP [NH3+]CC[C@H]1C[N@@H+](Cc2cc(=O)c3cccc(F)c3[nH]2)CCO1 ZINC000091254567 407181324 /nfs/dbraw/zinc/18/13/24/407181324.db2.gz ITHDMLOKHPUFQM-LBPRGKRZSA-N 2 2 305.353 1.217 50 0 DDAALP Cc1nc(N2CC[NH+](CCCOCC(F)(F)F)CC2)cc[nH+]1 ZINC000096429232 407264867 /nfs/dbraw/zinc/26/48/67/407264867.db2.gz KNNKKQJLKHPYOF-UHFFFAOYSA-N 2 2 318.343 1.876 50 0 DDAALP CN(Cc1[nH]cc[nH+]1)C(=O)C1CC[NH+](Cc2ccco2)CC1 ZINC000067605998 407277453 /nfs/dbraw/zinc/27/74/53/407277453.db2.gz KIBVJURMKPPBDM-UHFFFAOYSA-N 2 2 302.378 1.873 50 0 DDAALP Cc1cc(CC(=O)N2CCC[N@H+](C)C3(CC[NH+](C)CC3)C2)on1 ZINC000067895034 407288905 /nfs/dbraw/zinc/28/89/05/407288905.db2.gz CMYGVKYAYQJEAE-UHFFFAOYSA-N 2 2 320.437 1.154 50 0 DDAALP Cc1cc(CC(=O)N2CCC[N@@H+](C)C3(CC[NH+](C)CC3)C2)on1 ZINC000067895034 407288906 /nfs/dbraw/zinc/28/89/06/407288906.db2.gz CMYGVKYAYQJEAE-UHFFFAOYSA-N 2 2 320.437 1.154 50 0 DDAALP CC(C)n1c[nH+]cc1CN1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC000215420648 407484048 /nfs/dbraw/zinc/48/40/48/407484048.db2.gz JPDLISGWONIGBP-UHFFFAOYSA-N 3 2 319.497 1.923 50 0 DDAALP CSc1ncc(C[N@H+](C)C[C@@H]2CCC[NH+](CCO)C2)cn1 ZINC000215614471 407487822 /nfs/dbraw/zinc/48/78/22/407487822.db2.gz MCAUPYHLGRBNCZ-ZDUSSCGKSA-N 2 2 310.467 1.335 50 0 DDAALP CSc1ncc(C[N@@H+](C)C[C@@H]2CCC[NH+](CCO)C2)cn1 ZINC000215614471 407487828 /nfs/dbraw/zinc/48/78/28/407487828.db2.gz MCAUPYHLGRBNCZ-ZDUSSCGKSA-N 2 2 310.467 1.335 50 0 DDAALP CSc1ncc(C[NH+](C)C[C@@H]2CCC[N@H+](CCO)C2)cn1 ZINC000215614471 407487833 /nfs/dbraw/zinc/48/78/33/407487833.db2.gz MCAUPYHLGRBNCZ-ZDUSSCGKSA-N 2 2 310.467 1.335 50 0 DDAALP CSc1ncc(C[NH+](C)C[C@@H]2CCC[N@@H+](CCO)C2)cn1 ZINC000215614471 407487839 /nfs/dbraw/zinc/48/78/39/407487839.db2.gz MCAUPYHLGRBNCZ-ZDUSSCGKSA-N 2 2 310.467 1.335 50 0 DDAALP CN(CCOc1ccccc1)c1cc(C2CC([NH3+])C2)[nH+]c(N)n1 ZINC000219523161 407532650 /nfs/dbraw/zinc/53/26/50/407532650.db2.gz FHCMQVXFEIVBEN-UHFFFAOYSA-N 2 2 313.405 1.779 50 0 DDAALP CC(C)C[C@@H](CNC(=O)C[N@@H+]1CCC[C@H]1C)[NH+]1CCOCC1 ZINC000248272845 408545133 /nfs/dbraw/zinc/54/51/33/408545133.db2.gz QWZONTGHZDPMMN-CVEARBPZSA-N 2 2 311.470 1.334 50 0 DDAALP CC(C)C[C@@H](CNC(=O)C[N@H+]1CCC[C@H]1C)[NH+]1CCOCC1 ZINC000248272845 408545138 /nfs/dbraw/zinc/54/51/38/408545138.db2.gz QWZONTGHZDPMMN-CVEARBPZSA-N 2 2 311.470 1.334 50 0 DDAALP CCCN(Cc1[nH+]ccn1C)c1cc([C@H]2CCOC2)[nH+]c(N)n1 ZINC000426599041 419517089 /nfs/dbraw/zinc/51/70/89/419517089.db2.gz YLWIVLCBUZYVLT-LBPRGKRZSA-N 2 2 316.409 1.713 50 0 DDAALP CC[C@@H]1CN(C(=O)[C@@H](C)n2cc[nH+]c2)C[C@H]1[NH+]1CCOCC1 ZINC000084735653 483999487 /nfs/dbraw/zinc/99/94/87/483999487.db2.gz BDSHWZZAHMBHBU-RBSFLKMASA-N 2 2 306.410 1.013 50 0 DDAALP Cc1cccn2c(CC(=O)NCCNc3cc[nH+]cc3C)c[nH+]c12 ZINC000827855712 759400279 /nfs/dbraw/zinc/40/02/79/759400279.db2.gz XYGFUKUJTTZEOR-UHFFFAOYSA-N 2 2 323.400 1.539 50 0 DDAALP COCCC(=O)N1CC([N@H+](CC(C)C)C2CC[NH+](C)CC2)C1 ZINC000581799703 761707334 /nfs/dbraw/zinc/70/73/34/761707334.db2.gz LRMGHAGRFUILFT-UHFFFAOYSA-N 2 2 311.470 1.286 50 0 DDAALP COCCC(=O)N1CC([N@@H+](CC(C)C)C2CC[NH+](C)CC2)C1 ZINC000581799703 761707340 /nfs/dbraw/zinc/70/73/40/761707340.db2.gz LRMGHAGRFUILFT-UHFFFAOYSA-N 2 2 311.470 1.286 50 0 DDAALP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H](C)C[C@H]1CCC(=O)N1 ZINC000319571178 354522428 /nfs/dbraw/zinc/52/24/28/354522428.db2.gz SYUUQNBAMYIJNB-TZMCWYRMSA-N 2 2 300.406 1.992 50 0 DDAALP CCOCC[N@@H+]1CCC=C(C[NH+]2CCC[C@H](NC(C)=O)C2)C1 ZINC000065397877 184336160 /nfs/dbraw/zinc/33/61/60/184336160.db2.gz LFYDOARVBQYEAJ-KRWDZBQOSA-N 2 2 309.454 1.256 50 0 DDAALP CCOCC[N@H+]1CCC=C(C[NH+]2CCC[C@H](NC(C)=O)C2)C1 ZINC000065397877 184336161 /nfs/dbraw/zinc/33/61/61/184336161.db2.gz LFYDOARVBQYEAJ-KRWDZBQOSA-N 2 2 309.454 1.256 50 0 DDAALP CCOCC[NH+]1CCC=C(C[N@@H+]2CCC[C@H](NC(C)=O)C2)C1 ZINC000065397877 184336162 /nfs/dbraw/zinc/33/61/62/184336162.db2.gz LFYDOARVBQYEAJ-KRWDZBQOSA-N 2 2 309.454 1.256 50 0 DDAALP CCOCC[NH+]1CCC=C(C[N@H+]2CCC[C@H](NC(C)=O)C2)C1 ZINC000065397877 184336163 /nfs/dbraw/zinc/33/61/63/184336163.db2.gz LFYDOARVBQYEAJ-KRWDZBQOSA-N 2 2 309.454 1.256 50 0 DDAALP CC[N@H+](C)[C@H](C(=O)N1CC[NH+](C[C@@H](C)O)CC1)c1ccccc1 ZINC000071875859 406857713 /nfs/dbraw/zinc/85/77/13/406857713.db2.gz CWVGZXSYEQCIHC-WBVHZDCISA-N 2 2 319.449 1.204 50 0 DDAALP CC[N@@H+](C)[C@H](C(=O)N1CC[NH+](C[C@@H](C)O)CC1)c1ccccc1 ZINC000071875859 406857717 /nfs/dbraw/zinc/85/77/17/406857717.db2.gz CWVGZXSYEQCIHC-WBVHZDCISA-N 2 2 319.449 1.204 50 0 DDAALP C[C@H](C(=O)Nc1ncccn1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000071897226 406864220 /nfs/dbraw/zinc/86/42/20/406864220.db2.gz IWFVMUAYARJPDF-GFCCVEGCSA-N 2 2 300.366 1.337 50 0 DDAALP C[N@H+](Cc1ccccc1C[NH+]1CCCC1)C[C@@]1(O)CCC[NH2+]C1 ZINC000072475099 406882864 /nfs/dbraw/zinc/88/28/64/406882864.db2.gz REEYNNMGZLGACR-LJQANCHMSA-N 3 2 317.477 1.829 50 0 DDAALP C[N@@H+](Cc1ccccc1C[NH+]1CCCC1)C[C@@]1(O)CCC[NH2+]C1 ZINC000072475099 406882867 /nfs/dbraw/zinc/88/28/67/406882867.db2.gz REEYNNMGZLGACR-LJQANCHMSA-N 3 2 317.477 1.829 50 0 DDAALP CCOc1ccccc1N1CC[NH+](C[C@@]2(O)CCC[NH2+]C2)CC1 ZINC000077355883 406986079 /nfs/dbraw/zinc/98/60/79/406986079.db2.gz VODJNHZQXIZZRE-GOSISDBHSA-N 2 2 319.449 1.322 50 0 DDAALP Cc1cc(NC(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)cc[nH+]1 ZINC000095981938 407220045 /nfs/dbraw/zinc/22/00/45/407220045.db2.gz XZZALAXBOMWWPS-OAHLLOKOSA-N 2 2 306.410 1.868 50 0 DDAALP [NH3+][C@@H]1CCC[C@@H](C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000299748156 410605640 /nfs/dbraw/zinc/60/56/40/410605640.db2.gz GGTGVJWUQYPXQA-OAGGEKHMSA-N 2 2 309.454 1.217 50 0 DDAALP COc1ccccc1N1CC[NH+](C[C@]2(O)CCC[N@H+](C)C2)CC1 ZINC000046087404 418445090 /nfs/dbraw/zinc/44/50/90/418445090.db2.gz VELZRJHNRKMMLE-SFHVURJKSA-N 2 2 319.449 1.274 50 0 DDAALP COc1ccccc1N1CC[NH+](C[C@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000046087404 418445093 /nfs/dbraw/zinc/44/50/93/418445093.db2.gz VELZRJHNRKMMLE-SFHVURJKSA-N 2 2 319.449 1.274 50 0 DDAALP O=C(NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1)c1ccn2c[nH+]cc2c1 ZINC000108144935 418499152 /nfs/dbraw/zinc/49/91/52/418499152.db2.gz GJKMBAKKZPYBFM-HOCLYGCPSA-N 2 2 314.389 1.317 50 0 DDAALP O=C(NC[C@H]1C[N@H+]2CCCC[C@H]2CO1)c1ccn2c[nH+]cc2c1 ZINC000108144935 418499156 /nfs/dbraw/zinc/49/91/56/418499156.db2.gz GJKMBAKKZPYBFM-HOCLYGCPSA-N 2 2 314.389 1.317 50 0 DDAALP C[C@H](O)CC[N@@H+]1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000408521448 418808349 /nfs/dbraw/zinc/80/83/49/418808349.db2.gz UOMKFMKUJJHKHW-LSDHHAIUSA-N 2 2 305.422 1.906 50 0 DDAALP C[C@@H](C(=O)N1CC[NH+](C2Cc3ccccc3C2)CC1)n1cc[nH+]c1 ZINC000426423102 419468550 /nfs/dbraw/zinc/46/85/50/419468550.db2.gz RIPGQLPGEMCJTG-HNNXBMFYSA-N 2 2 324.428 1.756 50 0 DDAALP Cc1[nH]c2ccc(CC(=O)NCCNc3cc[nH+]cc3C)cc2[nH+]1 ZINC000670435748 484828391 /nfs/dbraw/zinc/82/83/91/484828391.db2.gz IHOMQZMCXNKCAQ-UHFFFAOYSA-N 2 2 323.400 1.767 50 0 DDAALP Cc1[nH]c2cc(CC(=O)NCCNc3cc[nH+]cc3C)ccc2[nH+]1 ZINC000670435748 484828398 /nfs/dbraw/zinc/82/83/98/484828398.db2.gz IHOMQZMCXNKCAQ-UHFFFAOYSA-N 2 2 323.400 1.767 50 0 DDAALP C[NH+]1CCC([N@@H+]2CCC[C@H](NC(=O)c3cccnc3)C2)CC1 ZINC000012476051 696050326 /nfs/dbraw/zinc/05/03/26/696050326.db2.gz XYOMIMHYNLNZOL-HNNXBMFYSA-N 2 2 302.422 1.370 50 0 DDAALP C[NH+]1CCC([N@H+]2CCC[C@H](NC(=O)c3cccnc3)C2)CC1 ZINC000012476051 696050331 /nfs/dbraw/zinc/05/03/31/696050331.db2.gz XYOMIMHYNLNZOL-HNNXBMFYSA-N 2 2 302.422 1.370 50 0 DDAALP O[C@@H](COc1ccc(C[NH+]2CC(O)C2)cc1)C[NH+]1CCCCC1 ZINC000095518822 185376768 /nfs/dbraw/zinc/37/67/68/185376768.db2.gz YGAFLBVXKHPGQN-QGZVFWFLSA-N 2 2 320.433 1.089 50 0 DDAALP CCCCSc1nc(N2CC[NH+](CCO)CC2)cc(N)[nH+]1 ZINC000095391167 185351565 /nfs/dbraw/zinc/35/15/65/185351565.db2.gz JLGNOHNGBYOLPZ-UHFFFAOYSA-N 2 2 311.455 1.065 50 0 DDAALP COCC[N@@H+]1CC[C@H](CN(C)c2[nH+]cnc3c2c(C)nn3C)C1 ZINC000072475971 191177971 /nfs/dbraw/zinc/17/79/71/191177971.db2.gz XBACQNHCLXFPIU-CYBMUJFWSA-N 2 2 318.425 1.076 50 0 DDAALP COCC[N@H+]1CC[C@H](CN(C)c2[nH+]cnc3c2c(C)nn3C)C1 ZINC000072475971 191177973 /nfs/dbraw/zinc/17/79/73/191177973.db2.gz XBACQNHCLXFPIU-CYBMUJFWSA-N 2 2 318.425 1.076 50 0 DDAALP CCC[N@@H+]1CCC[C@H](c2nnc(C[NH+]3CCC(O)CC3)n2C)C1 ZINC000072480514 191180895 /nfs/dbraw/zinc/18/08/95/191180895.db2.gz MTKHKJJZBIPCLG-AWEZNQCLSA-N 2 2 321.469 1.361 50 0 DDAALP CCC[N@H+]1CCC[C@H](c2nnc(C[NH+]3CCC(O)CC3)n2C)C1 ZINC000072480514 191180898 /nfs/dbraw/zinc/18/08/98/191180898.db2.gz MTKHKJJZBIPCLG-AWEZNQCLSA-N 2 2 321.469 1.361 50 0 DDAALP O=C(C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)N1CCOCC1 ZINC000069743784 406766659 /nfs/dbraw/zinc/76/66/59/406766659.db2.gz IWABRECRABNZDW-QGZVFWFLSA-N 2 2 323.481 1.433 50 0 DDAALP O=C(C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)N1CCOCC1 ZINC000069743784 406766664 /nfs/dbraw/zinc/76/66/64/406766664.db2.gz IWABRECRABNZDW-QGZVFWFLSA-N 2 2 323.481 1.433 50 0 DDAALP CC(C)c1n[nH]c2c1C[N@H+](Cc1cc3n(n1)CC[NH2+]C3)CC2 ZINC000072157004 406875098 /nfs/dbraw/zinc/87/50/98/406875098.db2.gz BNUSQJNXUCVIMI-UHFFFAOYSA-N 2 2 300.410 1.391 50 0 DDAALP CC(C)c1n[nH]c2c1C[N@@H+](Cc1cc3n(n1)CC[NH2+]C3)CC2 ZINC000072157004 406875100 /nfs/dbraw/zinc/87/51/00/406875100.db2.gz BNUSQJNXUCVIMI-UHFFFAOYSA-N 2 2 300.410 1.391 50 0 DDAALP CC(C)c1[nH]nc2c1C[N@H+](Cc1cc3n(n1)CC[NH2+]C3)CC2 ZINC000072157004 406875102 /nfs/dbraw/zinc/87/51/02/406875102.db2.gz BNUSQJNXUCVIMI-UHFFFAOYSA-N 2 2 300.410 1.391 50 0 DDAALP CC(C)c1[nH]nc2c1C[N@@H+](Cc1cc3n(n1)CC[NH2+]C3)CC2 ZINC000072157004 406875105 /nfs/dbraw/zinc/87/51/05/406875105.db2.gz BNUSQJNXUCVIMI-UHFFFAOYSA-N 2 2 300.410 1.391 50 0 DDAALP CC[NH+]1CCC(NC(=O)[C@@H]2CCCN(c3cccc[nH+]3)C2)CC1 ZINC000058418435 407221299 /nfs/dbraw/zinc/22/12/99/407221299.db2.gz CYLGVZGRHNCVJU-OAHLLOKOSA-N 2 2 316.449 1.899 50 0 DDAALP CCOC(=O)CC[NH+]1CCC([NH2+]C[C@](C)(CC)[C@H](C)O)CC1 ZINC000095986493 407221331 /nfs/dbraw/zinc/22/13/31/407221331.db2.gz OTQWNYDLXGUBQW-YOEHRIQHSA-N 2 2 314.470 1.791 50 0 DDAALP CCn1cc[nH+]c1CN(C)c1cc(C)[nH+]c(N2CCOCC2)n1 ZINC000065397860 407243753 /nfs/dbraw/zinc/24/37/53/407243753.db2.gz DTASIDIRMWJZBD-UHFFFAOYSA-N 2 2 316.409 1.474 50 0 DDAALP Nc1cc(N2CC[NH+](C/C=C/c3ccccc3)CC2)nc(N)[nH+]1 ZINC000065461088 407243812 /nfs/dbraw/zinc/24/38/12/407243812.db2.gz KORZMWFBQOCQKS-QPJJXVBHSA-N 2 2 310.405 1.476 50 0 DDAALP CN(Cc1ccccc1)c1[nH+]cccc1CNC(=O)[C@@H]1CC[NH2+]C1 ZINC000067513777 407276148 /nfs/dbraw/zinc/27/61/48/407276148.db2.gz SDJIODFTDROTTM-QGZVFWFLSA-N 2 2 324.428 1.944 50 0 DDAALP COc1c(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c(C)nn1C ZINC000097139264 407282507 /nfs/dbraw/zinc/28/25/07/407282507.db2.gz ZBSUBKAPMRHOGB-AWEZNQCLSA-N 2 2 317.437 1.925 50 0 DDAALP COc1c(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c(C)nn1C ZINC000097139264 407282508 /nfs/dbraw/zinc/28/25/08/407282508.db2.gz ZBSUBKAPMRHOGB-AWEZNQCLSA-N 2 2 317.437 1.925 50 0 DDAALP Cc1n[nH]cc1C[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000097159402 407283899 /nfs/dbraw/zinc/28/38/99/407283899.db2.gz NMEFZPNAMGHZJW-UHFFFAOYSA-N 2 2 300.406 1.840 50 0 DDAALP CCCN1C[C@H]([NH2+]C2CC[NH+](Cc3cccnc3)CC2)CC1=O ZINC000067920972 407290573 /nfs/dbraw/zinc/29/05/73/407290573.db2.gz TYIBDIWGSWEMEW-QGZVFWFLSA-N 2 2 316.449 1.647 50 0 DDAALP O[C@@]1(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CCSC1 ZINC000195556446 407469003 /nfs/dbraw/zinc/46/90/03/407469003.db2.gz SHGCXERDCRXNHE-GFCCVEGCSA-N 2 2 312.401 1.861 50 0 DDAALP [NH3+][C@H]1CCN(Cc2ccccc2OCCCn2cc[nH+]c2)C1 ZINC000215022529 407481330 /nfs/dbraw/zinc/48/13/30/407481330.db2.gz DLIHMNOIYRVEKD-INIZCTEOSA-N 2 2 300.406 1.885 50 0 DDAALP Cc1cccc([C@@H](NC(=O)C[N@@H+](C)C2CC[NH2+]CC2)C2CC2)n1 ZINC000216344473 407494648 /nfs/dbraw/zinc/49/46/48/407494648.db2.gz TVUNJRHKBVXTET-SFHVURJKSA-N 2 2 316.449 1.641 50 0 DDAALP Cc1cccc([C@@H](NC(=O)C[N@H+](C)C2CC[NH2+]CC2)C2CC2)n1 ZINC000216344473 407494655 /nfs/dbraw/zinc/49/46/55/407494655.db2.gz TVUNJRHKBVXTET-SFHVURJKSA-N 2 2 316.449 1.641 50 0 DDAALP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCO[C@@H](C)C3)c2cc1C ZINC000229235396 407659606 /nfs/dbraw/zinc/65/96/06/407659606.db2.gz WEGIZTOWBODOHK-GJZGRUSLSA-N 2 2 303.406 1.735 50 0 DDAALP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCO[C@@H](C)C3)c2cc1C ZINC000229235396 407659608 /nfs/dbraw/zinc/65/96/08/407659608.db2.gz WEGIZTOWBODOHK-GJZGRUSLSA-N 2 2 303.406 1.735 50 0 DDAALP CC(C)[C@@H](C(=O)N[C@H]1CC[N@@H+](C2CC2)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000252677885 408808154 /nfs/dbraw/zinc/80/81/54/408808154.db2.gz ANJSUUQJTATAKW-AIANPOQGSA-N 2 2 323.481 1.473 50 0 DDAALP CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+](C2CC2)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000252677885 408808157 /nfs/dbraw/zinc/80/81/57/408808157.db2.gz ANJSUUQJTATAKW-AIANPOQGSA-N 2 2 323.481 1.473 50 0 DDAALP Cc1[nH+]c[nH]c1CNC(=O)c1cc(Cl)ccc1OCC[NH3+] ZINC000426420637 419469184 /nfs/dbraw/zinc/46/91/84/419469184.db2.gz MAUZDPGJQAZWNC-UHFFFAOYSA-N 2 2 308.769 1.639 50 0 DDAALP Cn1c(C[NH+](C)C)nnc1C1CC[NH+](C2CCOCC2)CC1 ZINC000077540019 483961813 /nfs/dbraw/zinc/96/18/13/483961813.db2.gz PKYGLIRRZSWBMF-UHFFFAOYSA-N 2 2 307.442 1.235 50 0 DDAALP NC(=O)COc1ccc(C[NH2+]C[C@H]2CCCn3cc[nH+]c32)cc1 ZINC000084403219 483995454 /nfs/dbraw/zinc/99/54/54/483995454.db2.gz VQLCIVRIMNSDGC-CQSZACIVSA-N 2 2 314.389 1.414 50 0 DDAALP CCCCn1cc[nH+]c1C1CCN(C(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000095529332 185378843 /nfs/dbraw/zinc/37/88/43/185378843.db2.gz RSXPXHTVJPUIFW-HNNXBMFYSA-N 2 2 304.438 1.999 50 0 DDAALP Cn1c(C[NH+](C)C)nnc1[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000072472987 191174952 /nfs/dbraw/zinc/17/49/52/191174952.db2.gz WWUVIZBZYJWONZ-OAHLLOKOSA-N 2 2 314.437 1.651 50 0 DDAALP Cn1c(C[NH+](C)C)nnc1[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000072472987 191174955 /nfs/dbraw/zinc/17/49/55/191174955.db2.gz WWUVIZBZYJWONZ-OAHLLOKOSA-N 2 2 314.437 1.651 50 0 DDAALP Cc1cn2cc(NC(=O)C3(n4cccn4)CC[NH2+]CC3)ccc2[nH+]1 ZINC000262394189 203281361 /nfs/dbraw/zinc/28/13/61/203281361.db2.gz YCPFNOPRHQIVDI-UHFFFAOYSA-N 2 2 324.388 1.557 50 0 DDAALP Cc1cc(C(=O)N[C@H]2CCC[N@@H+](C3CC[NH+](C)CC3)C2)[nH]n1 ZINC000020119624 182189052 /nfs/dbraw/zinc/18/90/52/182189052.db2.gz ADDIEMBJYCAYNU-ZDUSSCGKSA-N 2 2 305.426 1.007 50 0 DDAALP Cc1cc(C(=O)N[C@H]2CCC[N@H+](C3CC[NH+](C)CC3)C2)[nH]n1 ZINC000020119624 182189054 /nfs/dbraw/zinc/18/90/54/182189054.db2.gz ADDIEMBJYCAYNU-ZDUSSCGKSA-N 2 2 305.426 1.007 50 0 DDAALP c1cc2n(n1)C[C@@H](C[NH2+]C1CCN(c3cccc[nH+]3)CC1)CN2 ZINC000058304951 184102813 /nfs/dbraw/zinc/10/28/13/184102813.db2.gz SPGRVVOGMFZOJH-AWEZNQCLSA-N 2 2 312.421 1.578 50 0 DDAALP COC(=O)CC[NH+]1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000048374183 407097094 /nfs/dbraw/zinc/09/70/94/407097094.db2.gz FJDLTVCGEYZZOT-UHFFFAOYSA-N 2 2 306.410 1.594 50 0 DDAALP COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(c1[nH+]cnc3[nH]ccc31)C2 ZINC000095387083 407213419 /nfs/dbraw/zinc/21/34/19/407213419.db2.gz MZWPSIAUKGFKLI-CHWSQXEVSA-N 2 2 301.394 1.505 50 0 DDAALP COCC[N@H+]1C[C@H]2CC[C@@H]1CN(c1[nH+]cnc3[nH]ccc31)C2 ZINC000095387083 407213421 /nfs/dbraw/zinc/21/34/21/407213421.db2.gz MZWPSIAUKGFKLI-CHWSQXEVSA-N 2 2 301.394 1.505 50 0 DDAALP CC(C)[C@@H](C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000057555076 407216502 /nfs/dbraw/zinc/21/65/02/407216502.db2.gz ANJSUUQJTATAKW-ANQUJSFKSA-N 2 2 323.481 1.473 50 0 DDAALP CC(C)[C@@H](C(=O)N[C@@H]1CC[N@H+](C2CC2)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000057555076 407216503 /nfs/dbraw/zinc/21/65/03/407216503.db2.gz ANJSUUQJTATAKW-ANQUJSFKSA-N 2 2 323.481 1.473 50 0 DDAALP C[NH+](C)[C@@H](C[NH2+]C[C@@H]1CNc2ccnn2C1)Cc1ccccc1 ZINC000058356151 407220880 /nfs/dbraw/zinc/22/08/80/407220880.db2.gz UTTOJRAVZULPKR-IAGOWNOFSA-N 2 2 313.449 1.687 50 0 DDAALP Nc1[nH+]cnc2[nH]nc(-c3cccc(C[NH+]4CCOCC4)c3)c21 ZINC000096140448 407240538 /nfs/dbraw/zinc/24/05/38/407240538.db2.gz YHYCRWKWPFZXRZ-UHFFFAOYSA-N 2 2 310.361 1.434 50 0 DDAALP c1nc(N2CC[NH+](CC3CCC3)CC2)cc(N2CCOCC2)[nH+]1 ZINC000096441451 407266574 /nfs/dbraw/zinc/26/65/74/407266574.db2.gz ZNNCLDCWLSNOQH-UHFFFAOYSA-N 2 2 317.437 1.235 50 0 DDAALP C/C=C(\C)C[N@@H+]1CCN(c2[nH+]cnc3[nH]ccc32)C[C@H](O)C1 ZINC000097475673 407298573 /nfs/dbraw/zinc/29/85/73/407298573.db2.gz MHAZMHCRNOJTOF-ACDNVWSCSA-N 2 2 301.394 1.407 50 0 DDAALP C/C=C(\C)C[N@H+]1CCN(c2[nH+]cnc3[nH]ccc32)C[C@H](O)C1 ZINC000097475673 407298575 /nfs/dbraw/zinc/29/85/75/407298575.db2.gz MHAZMHCRNOJTOF-ACDNVWSCSA-N 2 2 301.394 1.407 50 0 DDAALP C[C@@H]1C[C@H](NC[C@@H]2C[C@@H](O)C[NH+]2Cc2ccccc2)C[N@@H+]1C ZINC000110704640 407399563 /nfs/dbraw/zinc/39/95/63/407399563.db2.gz XZZBGJNNIZOVPK-LAVFITLUSA-N 2 2 303.450 1.304 50 0 DDAALP C[C@@H]1C[C@H](NC[C@@H]2C[C@@H](O)C[NH+]2Cc2ccccc2)C[N@H+]1C ZINC000110704640 407399565 /nfs/dbraw/zinc/39/95/65/407399565.db2.gz XZZBGJNNIZOVPK-LAVFITLUSA-N 2 2 303.450 1.304 50 0 DDAALP C[C@@H]1C[C@H](NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)C[NH+]1C ZINC000110704640 407399567 /nfs/dbraw/zinc/39/95/67/407399567.db2.gz XZZBGJNNIZOVPK-LAVFITLUSA-N 2 2 303.450 1.304 50 0 DDAALP C[C@@H]1C[C@H](NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)C[NH+]1C ZINC000110704640 407399568 /nfs/dbraw/zinc/39/95/68/407399568.db2.gz XZZBGJNNIZOVPK-LAVFITLUSA-N 2 2 303.450 1.304 50 0 DDAALP CC(C)COCC[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000252498895 408800131 /nfs/dbraw/zinc/80/01/31/408800131.db2.gz RPEVSBPOVBLQEI-UHFFFAOYSA-N 2 2 307.442 1.337 50 0 DDAALP Cc1ccc[nH+]c1NCCNC(=O)CC[C@H](C)[NH+]1CCOCC1 ZINC000252508690 408802045 /nfs/dbraw/zinc/80/20/45/408802045.db2.gz XQXIQSSHPMLSCA-HNNXBMFYSA-N 2 2 320.437 1.419 50 0 DDAALP COCC[N@@H+]1CCC[C@@H]([NH2+][C@H]2CCN(CC(F)(F)F)C2)C1 ZINC000252517434 408803116 /nfs/dbraw/zinc/80/31/16/408803116.db2.gz IMLSAMCKOOCULS-OLZOCXBDSA-N 2 2 309.376 1.323 50 0 DDAALP COCC[N@H+]1CCC[C@@H]([NH2+][C@H]2CCN(CC(F)(F)F)C2)C1 ZINC000252517434 408803118 /nfs/dbraw/zinc/80/31/18/408803118.db2.gz IMLSAMCKOOCULS-OLZOCXBDSA-N 2 2 309.376 1.323 50 0 DDAALP CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCN(c3cccc[nH+]3)C2)C1 ZINC000249691547 408755058 /nfs/dbraw/zinc/75/50/58/408755058.db2.gz LPAQTRNGWBGYNS-JKSUJKDBSA-N 2 2 316.449 1.899 50 0 DDAALP CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCN(c3cccc[nH+]3)C2)C1 ZINC000249691547 408755061 /nfs/dbraw/zinc/75/50/61/408755061.db2.gz LPAQTRNGWBGYNS-JKSUJKDBSA-N 2 2 316.449 1.899 50 0 DDAALP Cn1cc[nH+]c1CCNC(=O)C1CC[NH+](C2CCCC2)CC1 ZINC000299767582 410614744 /nfs/dbraw/zinc/61/47/44/410614744.db2.gz ICTKYFDTHYJQBJ-UHFFFAOYSA-N 2 2 304.438 1.733 50 0 DDAALP COc1ccc(OCCC[NH3+])c(C(=O)NCc2[nH]cc[nH+]2)c1 ZINC000299796269 410636261 /nfs/dbraw/zinc/63/62/61/410636261.db2.gz NSULIGMTMVNWOQ-UHFFFAOYSA-N 2 2 304.350 1.076 50 0 DDAALP Cc1nc(NC[C@H](c2cccs2)[NH+]2CCCC2)nc(N)[nH+]1 ZINC000585092627 483920586 /nfs/dbraw/zinc/92/05/86/483920586.db2.gz HHRVJCVINRVYDX-LLVKDONJSA-N 2 2 304.423 1.495 50 0 DDAALP CCC[C@H]1C[N@H+](CC2CCC2)C[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000091769778 484015242 /nfs/dbraw/zinc/01/52/42/484015242.db2.gz XCERIVSZMRIFHN-HOTGVXAUSA-N 2 2 304.438 1.900 50 0 DDAALP CCC[C@H]1C[N@@H+](CC2CCC2)C[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000091769778 484015251 /nfs/dbraw/zinc/01/52/51/484015251.db2.gz XCERIVSZMRIFHN-HOTGVXAUSA-N 2 2 304.438 1.900 50 0 DDAALP CCOc1ccc(C[N@H+]2CC(=O)N[C@H](C)C2)cc1C[NH+](C)C ZINC000670438248 484830696 /nfs/dbraw/zinc/83/06/96/484830696.db2.gz VFFOKOIEMPZIEZ-CYBMUJFWSA-N 2 2 305.422 1.467 50 0 DDAALP CCOc1ccc(C[N@@H+]2CC(=O)N[C@H](C)C2)cc1C[NH+](C)C ZINC000670438248 484830698 /nfs/dbraw/zinc/83/06/98/484830698.db2.gz VFFOKOIEMPZIEZ-CYBMUJFWSA-N 2 2 305.422 1.467 50 0 DDAALP Cc1[nH+]c(N2CCCC2)nc(N2CC[N@@H+](C)[C@H](CCO)C2)c1C ZINC000670452710 484840395 /nfs/dbraw/zinc/84/03/95/484840395.db2.gz DCMSBLRCLGRMSF-OAHLLOKOSA-N 2 2 319.453 1.196 50 0 DDAALP Cc1[nH+]c(N2CCCC2)nc(N2CC[N@H+](C)[C@H](CCO)C2)c1C ZINC000670452710 484840399 /nfs/dbraw/zinc/84/03/99/484840399.db2.gz DCMSBLRCLGRMSF-OAHLLOKOSA-N 2 2 319.453 1.196 50 0 DDAALP [NH3+][C@@H]1CCCN(C(=O)c2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000158124810 527347559 /nfs/dbraw/zinc/34/75/59/527347559.db2.gz SVHBKXORTSSTJV-MRXNPFEDSA-N 2 2 303.406 1.082 50 0 DDAALP Cc1cc[nH+]c(N2CC[C@H]([NH+]3CCOCC3)[C@H](CCCO)C2)c1 ZINC000091254691 696587760 /nfs/dbraw/zinc/58/77/60/696587760.db2.gz YIYPDZOISFADBS-SJORKVTESA-N 2 2 319.449 1.690 50 0 DDAALP C[C@@H](C1CCN(c2cc3nncn3c(N)[nH+]2)CC1)[NH+]1CCCC1 ZINC000821746071 758174749 /nfs/dbraw/zinc/17/47/49/758174749.db2.gz RQDLVFRHHLSLAD-LBPRGKRZSA-N 2 2 315.425 1.407 50 0 DDAALP Cc1c[nH+]c(NCCC[N@@H+]2CCC[C@@H](CO)C2)nc1N(C)C ZINC000828711067 759746535 /nfs/dbraw/zinc/74/65/35/759746535.db2.gz AMYKOAVHWAGOSZ-CQSZACIVSA-N 2 2 307.442 1.357 50 0 DDAALP Cc1c[nH+]c(NCCC[N@H+]2CCC[C@@H](CO)C2)nc1N(C)C ZINC000828711067 759746544 /nfs/dbraw/zinc/74/65/44/759746544.db2.gz AMYKOAVHWAGOSZ-CQSZACIVSA-N 2 2 307.442 1.357 50 0 DDAALP O=C(/C=C/c1cccs1)N1CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000077119303 185110406 /nfs/dbraw/zinc/11/04/06/185110406.db2.gz YXAGYULTIQRVDA-ONEGZZNKSA-N 2 2 316.430 1.802 50 0 DDAALP O=C(C[N@@H+]1CCC[C@@H](c2ccccc2)C1)NCCc1c[nH+]c[nH]1 ZINC000095388935 185351194 /nfs/dbraw/zinc/35/11/94/185351194.db2.gz JIMLDKULFSNGFL-MRXNPFEDSA-N 2 2 312.417 1.948 50 0 DDAALP O=C(C[N@H+]1CCC[C@@H](c2ccccc2)C1)NCCc1c[nH+]c[nH]1 ZINC000095388935 185351195 /nfs/dbraw/zinc/35/11/95/185351195.db2.gz JIMLDKULFSNGFL-MRXNPFEDSA-N 2 2 312.417 1.948 50 0 DDAALP O=C(C[N@@H+]1CCC[C@@H](c2ccccc2)C1)NCCc1c[nH]c[nH+]1 ZINC000095388935 185351196 /nfs/dbraw/zinc/35/11/96/185351196.db2.gz JIMLDKULFSNGFL-MRXNPFEDSA-N 2 2 312.417 1.948 50 0 DDAALP O=C(C[N@H+]1CCC[C@@H](c2ccccc2)C1)NCCc1c[nH]c[nH+]1 ZINC000095388935 185351197 /nfs/dbraw/zinc/35/11/97/185351197.db2.gz JIMLDKULFSNGFL-MRXNPFEDSA-N 2 2 312.417 1.948 50 0 DDAALP C[NH+](C)CC(C)(C)CNc1cc(N2CCC[C@H]2CO)nc[nH+]1 ZINC000072275981 191097497 /nfs/dbraw/zinc/09/74/97/191097497.db2.gz VMZAYLWNORCHGO-ZDUSSCGKSA-N 2 2 307.442 1.437 50 0 DDAALP C[NH+](C)CC(C)(C)CNc1cc(N2CCC[C@H]2CO)[nH+]cn1 ZINC000072275981 191097499 /nfs/dbraw/zinc/09/74/99/191097499.db2.gz VMZAYLWNORCHGO-ZDUSSCGKSA-N 2 2 307.442 1.437 50 0 DDAALP CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)[C@H](C)[NH3+] ZINC000253369709 186300814 /nfs/dbraw/zinc/30/08/14/186300814.db2.gz HAVIEWDUZPQNNP-JLJPHGGASA-N 2 2 318.465 1.796 50 0 DDAALP CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)[C@H](C)[NH3+] ZINC000253369709 186300816 /nfs/dbraw/zinc/30/08/16/186300816.db2.gz HAVIEWDUZPQNNP-JLJPHGGASA-N 2 2 318.465 1.796 50 0 DDAALP CC[NH+]1CCN(C(=O)[C@H]2C[N@H+](Cc3ccsc3)CCO2)CC1 ZINC000072421296 191158276 /nfs/dbraw/zinc/15/82/76/191158276.db2.gz CHUZOVURWIZHNS-OAHLLOKOSA-N 2 2 323.462 1.113 50 0 DDAALP CC[NH+]1CCN(C(=O)[C@H]2C[N@@H+](Cc3ccsc3)CCO2)CC1 ZINC000072421296 191158278 /nfs/dbraw/zinc/15/82/78/191158278.db2.gz CHUZOVURWIZHNS-OAHLLOKOSA-N 2 2 323.462 1.113 50 0 DDAALP Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000020454475 182219287 /nfs/dbraw/zinc/21/92/87/182219287.db2.gz XROHWKNHMFFOPS-INIZCTEOSA-N 2 2 316.449 1.678 50 0 DDAALP Cc1ccc(C(=O)N[C@H]2CCC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000020454475 182219288 /nfs/dbraw/zinc/21/92/88/182219288.db2.gz XROHWKNHMFFOPS-INIZCTEOSA-N 2 2 316.449 1.678 50 0 DDAALP CC[N@@H+]1CCC[C@](O)(CN2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000041124079 183168764 /nfs/dbraw/zinc/16/87/64/183168764.db2.gz OKPRGRXPZNXPPI-GOSISDBHSA-N 2 2 318.465 1.046 50 0 DDAALP CC[N@H+]1CCC[C@](O)(CN2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000041124079 183168765 /nfs/dbraw/zinc/16/87/65/183168765.db2.gz OKPRGRXPZNXPPI-GOSISDBHSA-N 2 2 318.465 1.046 50 0 DDAALP CCOC(=O)[C@H](C)[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000060368395 184146976 /nfs/dbraw/zinc/14/69/76/184146976.db2.gz RHBZCJUYFHCDHW-KFWWJZLASA-N 2 2 312.454 1.759 50 0 DDAALP Cc1cccn2cc(CC(=O)N3CCC[N@@H+]4CCC[C@H]4C3)[nH+]c12 ZINC000065606457 184371502 /nfs/dbraw/zinc/37/15/02/184371502.db2.gz GUOXGJIJANXBGI-INIZCTEOSA-N 2 2 312.417 1.882 50 0 DDAALP Cc1cccn2cc(CC(=O)N3CCC[N@H+]4CCC[C@H]4C3)[nH+]c12 ZINC000065606457 184371504 /nfs/dbraw/zinc/37/15/04/184371504.db2.gz GUOXGJIJANXBGI-INIZCTEOSA-N 2 2 312.417 1.882 50 0 DDAALP C[C@@H]1[C@H](C)OCC[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000158948894 197313252 /nfs/dbraw/zinc/31/32/52/197313252.db2.gz KIKZHRACJSFHQR-VYDXJSESSA-N 2 2 319.449 1.515 50 0 DDAALP C[C@@H]1[C@H](C)OCC[N@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000158948894 197313253 /nfs/dbraw/zinc/31/32/53/197313253.db2.gz KIKZHRACJSFHQR-VYDXJSESSA-N 2 2 319.449 1.515 50 0 DDAALP O=C(CC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]21)NCc1ccccc1Cl ZINC000077321437 406984157 /nfs/dbraw/zinc/98/41/57/406984157.db2.gz WDGXWHYHGJCRMK-DZGCQCFKSA-N 2 2 307.825 1.640 50 0 DDAALP O=C(CC[N@H+]1CC[C@H]2C[NH2+]C[C@H]21)NCc1ccccc1Cl ZINC000077321437 406984159 /nfs/dbraw/zinc/98/41/59/406984159.db2.gz WDGXWHYHGJCRMK-DZGCQCFKSA-N 2 2 307.825 1.640 50 0 DDAALP O[C@@]1(CN2CC[NH+](Cc3cccc(Cl)c3)CC2)CCC[NH2+]C1 ZINC000077355957 406986683 /nfs/dbraw/zinc/98/66/83/406986683.db2.gz BWQLWELOYCPPEO-KRWDZBQOSA-N 2 2 323.868 1.572 50 0 DDAALP O[C@@]1(C[NH+]2CCN(Cc3cccc(Cl)c3)CC2)CCC[NH2+]C1 ZINC000077355957 406986685 /nfs/dbraw/zinc/98/66/85/406986685.db2.gz BWQLWELOYCPPEO-KRWDZBQOSA-N 2 2 323.868 1.572 50 0 DDAALP Cc1cccc(N2CC[NH+](C[C@@]3(O)CCC[N@@H+](C)C3)CC2)c1 ZINC000041124054 407005265 /nfs/dbraw/zinc/00/52/65/407005265.db2.gz FFQROCJKVDPWSO-GOSISDBHSA-N 2 2 303.450 1.574 50 0 DDAALP Cc1cccc(N2CC[NH+](C[C@@]3(O)CCC[N@H+](C)C3)CC2)c1 ZINC000041124054 407005266 /nfs/dbraw/zinc/00/52/66/407005266.db2.gz FFQROCJKVDPWSO-GOSISDBHSA-N 2 2 303.450 1.574 50 0 DDAALP O=C1CCC2(CC[NH+](CCn3cc[nH+]c3)CC2)CN1C1CC1 ZINC000091664557 407182740 /nfs/dbraw/zinc/18/27/40/407182740.db2.gz GLEDRHUOZGTLCS-UHFFFAOYSA-N 2 2 302.422 1.750 50 0 DDAALP C[NH+]1CCN(c2cc(NCC3=CCCCC3)[nH+]c(N)n2)CC1 ZINC000065409984 407243729 /nfs/dbraw/zinc/24/37/29/407243729.db2.gz QAIFZKJLZOXGNG-UHFFFAOYSA-N 2 2 302.426 1.723 50 0 DDAALP O=C(Nc1c[nH+]c2n1CCCC2)[C@@H]1CCCN1C1CC[NH2+]CC1 ZINC000067974723 407293388 /nfs/dbraw/zinc/29/33/88/407293388.db2.gz NSWAEHYEIMSJMK-AWEZNQCLSA-N 2 2 317.437 1.374 50 0 DDAALP c1ccc(C[NH+]2CCN(CC[N@@H+]3CCC[NH2+]CC3)CC2)cc1 ZINC000244748692 407934715 /nfs/dbraw/zinc/93/47/15/407934715.db2.gz OMOJRVSGCBJHIY-UHFFFAOYSA-N 3 2 302.466 1.100 50 0 DDAALP c1ccc(C[NH+]2CCN(CC[N@H+]3CCC[NH2+]CC3)CC2)cc1 ZINC000244748692 407934718 /nfs/dbraw/zinc/93/47/18/407934718.db2.gz OMOJRVSGCBJHIY-UHFFFAOYSA-N 3 2 302.466 1.100 50 0 DDAALP COc1cc(N2CC[NH+](CC[C@@H]3CCC[N@@H+]3C)CC2)ncn1 ZINC000184088719 408546915 /nfs/dbraw/zinc/54/69/15/408546915.db2.gz LVVGREDQPFEEKP-AWEZNQCLSA-N 2 2 305.426 1.092 50 0 DDAALP COc1cc(N2CC[NH+](CC[C@@H]3CCC[N@H+]3C)CC2)ncn1 ZINC000184088719 408546920 /nfs/dbraw/zinc/54/69/20/408546920.db2.gz LVVGREDQPFEEKP-AWEZNQCLSA-N 2 2 305.426 1.092 50 0 DDAALP C[NH+](C)C[C@@H]1C[N@H+](C)C[C@H]1NC(=O)c1cccc2[nH]ccc21 ZINC000169790633 697346732 /nfs/dbraw/zinc/34/67/32/697346732.db2.gz PZFRJZMZWCOZIG-MLGOLLRUSA-N 2 2 300.406 1.390 50 0 DDAALP C[NH+](C)C[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)c1cccc2[nH]ccc21 ZINC000169790633 697346735 /nfs/dbraw/zinc/34/67/35/697346735.db2.gz PZFRJZMZWCOZIG-MLGOLLRUSA-N 2 2 300.406 1.390 50 0 DDAALP C[N@@H+]1CC[C@H](C[NH+]2CCN(c3ncnc4sccc43)CC2)C1 ZINC000952874637 775622035 /nfs/dbraw/zinc/62/20/35/775622035.db2.gz ICOOAVNHLWHNND-ZDUSSCGKSA-N 2 2 317.462 1.765 50 0 DDAALP C[N@H+]1CC[C@H](C[NH+]2CCN(c3ncnc4sccc43)CC2)C1 ZINC000952874637 775622039 /nfs/dbraw/zinc/62/20/39/775622039.db2.gz ICOOAVNHLWHNND-ZDUSSCGKSA-N 2 2 317.462 1.765 50 0 DDAALP O[C@H](COc1ccc(C[NH+]2CC(O)C2)cc1)C[NH+]1CCCCC1 ZINC000095518823 185376765 /nfs/dbraw/zinc/37/67/65/185376765.db2.gz YGAFLBVXKHPGQN-KRWDZBQOSA-N 2 2 320.433 1.089 50 0 DDAALP O=C([C@H]1CC[NH2+]C1)N1CCC(c2[nH+]ccn2CC2CCC2)CC1 ZINC000095521300 185377600 /nfs/dbraw/zinc/37/76/00/185377600.db2.gz MIHLGRLDFAYSAT-INIZCTEOSA-N 2 2 316.449 1.999 50 0 DDAALP CC[N@H+](Cc1ccoc1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000092935908 185349701 /nfs/dbraw/zinc/34/97/01/185349701.db2.gz LIPAZPVHVCGTNB-UHFFFAOYSA-N 2 2 315.421 1.844 50 0 DDAALP CC[N@@H+](Cc1ccoc1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000092935908 185349702 /nfs/dbraw/zinc/34/97/02/185349702.db2.gz LIPAZPVHVCGTNB-UHFFFAOYSA-N 2 2 315.421 1.844 50 0 DDAALP O=C(NCC[NH+]1CCN(c2cc[nH+]cc2Cl)CC1)C1CCC1 ZINC000095408834 185356695 /nfs/dbraw/zinc/35/66/95/185356695.db2.gz SKSDAVLGGBRBRO-UHFFFAOYSA-N 2 2 322.840 1.773 50 0 DDAALP c1cnc(N2CC[NH+](CCC[NH2+][C@@H]3CCCSC3)CC2)nc1 ZINC000097370963 353919101 /nfs/dbraw/zinc/91/91/01/353919101.db2.gz NOVFONWWTPDSEW-OAHLLOKOSA-N 2 2 321.494 1.474 50 0 DDAALP Cc1ncc(C[NH+]2CCN(C(=O)CCn3cc[nH+]c3)CC2)s1 ZINC000264696775 204085122 /nfs/dbraw/zinc/08/51/22/204085122.db2.gz IUMUIMUZAYMYOM-UHFFFAOYSA-N 2 2 319.434 1.383 50 0 DDAALP CCOc1ccc(OC[C@H](O)C[NH2+]C[C@H]2CCC[N@@H+]2CC)cc1 ZINC000022920914 182341218 /nfs/dbraw/zinc/34/12/18/182341218.db2.gz JVXSYAHNRVHKSR-HZPDHXFCSA-N 2 2 322.449 1.899 50 0 DDAALP CCOc1ccc(OC[C@H](O)C[NH2+]C[C@H]2CCC[N@H+]2CC)cc1 ZINC000022920914 182341221 /nfs/dbraw/zinc/34/12/21/182341221.db2.gz JVXSYAHNRVHKSR-HZPDHXFCSA-N 2 2 322.449 1.899 50 0 DDAALP CC[N@H+](C)[C@@H](C(=O)N1CC[NH+](C[C@@H](C)O)CC1)c1ccccc1 ZINC000071875860 406858549 /nfs/dbraw/zinc/85/85/49/406858549.db2.gz CWVGZXSYEQCIHC-NVXWUHKLSA-N 2 2 319.449 1.204 50 0 DDAALP CC[N@@H+](C)[C@@H](C(=O)N1CC[NH+](C[C@@H](C)O)CC1)c1ccccc1 ZINC000071875860 406858552 /nfs/dbraw/zinc/85/85/52/406858552.db2.gz CWVGZXSYEQCIHC-NVXWUHKLSA-N 2 2 319.449 1.204 50 0 DDAALP CCc1noc([C@H](C)[NH+]2CCC(C[NH+]3CCOCC3)CC2)n1 ZINC000048234462 407092798 /nfs/dbraw/zinc/09/27/98/407092798.db2.gz RZVIAZJLLPQBKX-ZDUSSCGKSA-N 2 2 308.426 1.737 50 0 DDAALP O=c1cc(C2CC[NH+](Cc3ccc4[nH+]ccn4c3)CC2)nc[nH]1 ZINC000067805815 407285720 /nfs/dbraw/zinc/28/57/20/407285720.db2.gz FEPZMQRVPJSBCK-UHFFFAOYSA-N 2 2 309.373 1.797 50 0 DDAALP C[C@@H](Cn1cncn1)[NH2+]C1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000067983399 407292556 /nfs/dbraw/zinc/29/25/56/407292556.db2.gz KIGYYJMGSSRUAY-AWEZNQCLSA-N 2 2 315.421 1.626 50 0 DDAALP Cc1csc([C@@H](C)N(C)C(=O)C[N@H+](C)C2CC[NH2+]CC2)n1 ZINC000216290731 407495741 /nfs/dbraw/zinc/49/57/41/407495741.db2.gz SKCYZAQBGPNHQR-GFCCVEGCSA-N 2 2 310.467 1.655 50 0 DDAALP Cc1csc([C@@H](C)N(C)C(=O)C[N@@H+](C)C2CC[NH2+]CC2)n1 ZINC000216290731 407495743 /nfs/dbraw/zinc/49/57/43/407495743.db2.gz SKCYZAQBGPNHQR-GFCCVEGCSA-N 2 2 310.467 1.655 50 0 DDAALP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000253369990 408814037 /nfs/dbraw/zinc/81/40/37/408814037.db2.gz KUTQPQRBWHXYGP-QXSJWSMHSA-N 2 2 323.481 1.332 50 0 DDAALP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000253369990 408814040 /nfs/dbraw/zinc/81/40/40/408814040.db2.gz KUTQPQRBWHXYGP-QXSJWSMHSA-N 2 2 323.481 1.332 50 0 DDAALP C[N@@H+]1CCO[C@H](C(=O)Nc2ccccc2Nc2cc[nH+]cc2)C1 ZINC000408516157 418807160 /nfs/dbraw/zinc/80/71/60/418807160.db2.gz UZLVFQHCBQSAMM-INIZCTEOSA-N 2 2 312.373 1.516 50 0 DDAALP C[N@H+]1CCO[C@H](C(=O)Nc2ccccc2Nc2cc[nH+]cc2)C1 ZINC000408516157 418807162 /nfs/dbraw/zinc/80/71/62/418807162.db2.gz UZLVFQHCBQSAMM-INIZCTEOSA-N 2 2 312.373 1.516 50 0 DDAALP Cc1ccc[nH+]c1NCCNc1cc([C@H]2CCOC2)[nH+]c(N)n1 ZINC000426573343 419508656 /nfs/dbraw/zinc/50/86/56/419508656.db2.gz XNYYVBIRXUVXHX-LBPRGKRZSA-N 2 2 314.393 1.212 50 0 DDAALP CCC[N@@H+]1CC[C@H](CNC(=O)N2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC000534672984 334321089 /nfs/dbraw/zinc/32/10/89/334321089.db2.gz ULTUDFZANASAAQ-CYBMUJFWSA-N 2 2 305.426 1.518 50 0 DDAALP CCC[N@H+]1CC[C@H](CNC(=O)N2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC000534672984 334321090 /nfs/dbraw/zinc/32/10/90/334321090.db2.gz ULTUDFZANASAAQ-CYBMUJFWSA-N 2 2 305.426 1.518 50 0 DDAALP CCC[N@@H+]1CC[C@H](CNC(=O)N2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC000534672984 334321091 /nfs/dbraw/zinc/32/10/91/334321091.db2.gz ULTUDFZANASAAQ-CYBMUJFWSA-N 2 2 305.426 1.518 50 0 DDAALP CCC[N@H+]1CC[C@H](CNC(=O)N2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC000534672984 334321093 /nfs/dbraw/zinc/32/10/93/334321093.db2.gz ULTUDFZANASAAQ-CYBMUJFWSA-N 2 2 305.426 1.518 50 0 DDAALP CCOCCN1CC2(CCC1=O)CC[NH+]([C@H]1CCC[NH2+]C1)CC2 ZINC000219595536 771934534 /nfs/dbraw/zinc/93/45/34/771934534.db2.gz QRDNKKLZZAQKFQ-INIZCTEOSA-N 2 2 323.481 1.480 50 0 DDAALP O=C([C@@H]1CC[NH2+]C1)N1CCC(c2[nH+]ccn2CC2CCC2)CC1 ZINC000095521299 185377542 /nfs/dbraw/zinc/37/75/42/185377542.db2.gz MIHLGRLDFAYSAT-MRXNPFEDSA-N 2 2 316.449 1.999 50 0 DDAALP Cc1nc(N2C[C@H]3OCC[N@H+](Cc4ccccc4)[C@@H]3C2)cc[nH+]1 ZINC000097014729 185397389 /nfs/dbraw/zinc/39/73/89/185397389.db2.gz ACCRXBCQAKCXQA-IAGOWNOFSA-N 2 2 310.401 1.875 50 0 DDAALP Cc1nc(N2C[C@H]3OCC[N@@H+](Cc4ccccc4)[C@@H]3C2)cc[nH+]1 ZINC000097014729 185397390 /nfs/dbraw/zinc/39/73/90/185397390.db2.gz ACCRXBCQAKCXQA-IAGOWNOFSA-N 2 2 310.401 1.875 50 0 DDAALP Cc1noc([C@]23C[NH+](Cc4conc4C)C[C@H]2C[N@H+](C)CC3)n1 ZINC000685940802 539564144 /nfs/dbraw/zinc/56/41/44/539564144.db2.gz VMOLEEVMRLPXGV-GDBMZVCRSA-N 2 2 317.393 1.380 50 0 DDAALP Cc1noc([C@]23C[NH+](Cc4conc4C)C[C@H]2C[N@@H+](C)CC3)n1 ZINC000685940802 539564149 /nfs/dbraw/zinc/56/41/49/539564149.db2.gz VMOLEEVMRLPXGV-GDBMZVCRSA-N 2 2 317.393 1.380 50 0 DDAALP Cc1noc([C@]23C[N@H+](Cc4conc4C)C[C@H]2C[NH+](C)CC3)n1 ZINC000685940802 539564154 /nfs/dbraw/zinc/56/41/54/539564154.db2.gz VMOLEEVMRLPXGV-GDBMZVCRSA-N 2 2 317.393 1.380 50 0 DDAALP Cc1noc([C@]23C[N@@H+](Cc4conc4C)C[C@H]2C[NH+](C)CC3)n1 ZINC000685940802 539564160 /nfs/dbraw/zinc/56/41/60/539564160.db2.gz VMOLEEVMRLPXGV-GDBMZVCRSA-N 2 2 317.393 1.380 50 0 DDAALP Cn1cc(C[NH2+]CC2(C[NH+]3CCOCC3)CCCCC2)cn1 ZINC000083476655 192371342 /nfs/dbraw/zinc/37/13/42/192371342.db2.gz RSDWFGPUSVEFIZ-UHFFFAOYSA-N 2 2 306.454 1.792 50 0 DDAALP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2c(C)noc2C)nc[nH+]1 ZINC000072276608 191099008 /nfs/dbraw/zinc/09/90/08/191099008.db2.gz ZKKVXAHOQLNYGN-CYBMUJFWSA-N 2 2 316.409 1.882 50 0 DDAALP Cc1[nH+]ccn1-c1cc(NCCNC(=O)C(C)(C)C)[nH+]cn1 ZINC000072434284 191166035 /nfs/dbraw/zinc/16/60/35/191166035.db2.gz JWMCTKKJUWMIMK-UHFFFAOYSA-N 2 2 302.382 1.545 50 0 DDAALP CCOC(=O)N1CC[C@@H]([NH2+]CCc2cn3ccccc3[nH+]2)C1 ZINC000584899658 354798951 /nfs/dbraw/zinc/79/89/51/354798951.db2.gz HWFAMANXVJSHEA-CYBMUJFWSA-N 2 2 302.378 1.697 50 0 DDAALP COc1ccccc1C[NH+]1CCN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000237166588 202173925 /nfs/dbraw/zinc/17/39/25/202173925.db2.gz OJYWZIAUORNSEK-ZBFHGGJFSA-N 2 2 317.433 1.467 50 0 DDAALP COCCN1CC2(CCC1=O)CC[NH+](CCn1cc[nH+]c1)CC2 ZINC000091594297 193077479 /nfs/dbraw/zinc/07/74/79/193077479.db2.gz LXCZALLXQFIVIG-UHFFFAOYSA-N 2 2 320.437 1.234 50 0 DDAALP COc1cccc(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c1OC ZINC000093664706 193286250 /nfs/dbraw/zinc/28/62/50/193286250.db2.gz OQDVGRQAUFOXJH-OAHLLOKOSA-N 2 2 320.433 1.858 50 0 DDAALP COc1cccc(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c1OC ZINC000093664706 193286252 /nfs/dbraw/zinc/28/62/52/193286252.db2.gz OQDVGRQAUFOXJH-OAHLLOKOSA-N 2 2 320.433 1.858 50 0 DDAALP Cc1c[nH+]c(NC[C@@H](O)C[NH+]2CCCCCC2)nc1N(C)C ZINC000065405527 184337765 /nfs/dbraw/zinc/33/77/65/184337765.db2.gz JAZCCPNSTXWRSD-CQSZACIVSA-N 2 2 307.442 1.500 50 0 DDAALP C[NH+]1CCC([N@@H+]2CCC[C@H](NC(=O)c3ccccc3)C2)CC1 ZINC000011772198 406830471 /nfs/dbraw/zinc/83/04/71/406830471.db2.gz CQKCSXGZLYNDMX-INIZCTEOSA-N 2 2 301.434 1.975 50 0 DDAALP C[NH+]1CCC([N@H+]2CCC[C@H](NC(=O)c3ccccc3)C2)CC1 ZINC000011772198 406830475 /nfs/dbraw/zinc/83/04/75/406830475.db2.gz CQKCSXGZLYNDMX-INIZCTEOSA-N 2 2 301.434 1.975 50 0 DDAALP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000015080393 406878969 /nfs/dbraw/zinc/87/89/69/406878969.db2.gz IBKLQJNUISZKGC-OAHLLOKOSA-N 2 2 309.841 1.982 50 0 DDAALP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000015080393 406878972 /nfs/dbraw/zinc/87/89/72/406878972.db2.gz IBKLQJNUISZKGC-OAHLLOKOSA-N 2 2 309.841 1.982 50 0 DDAALP Cc1[nH+]ccn1CC1CC[NH+](CC(=O)NC[C@@H]2CCCO2)CC1 ZINC000090472703 407167751 /nfs/dbraw/zinc/16/77/51/407167751.db2.gz NOVSQUPYNNYAJM-INIZCTEOSA-N 2 2 320.437 1.199 50 0 DDAALP COCCC(=O)N1CCC(c2[nH+]ccn2CCC[NH+](C)C)CC1 ZINC000095354643 407208098 /nfs/dbraw/zinc/20/80/98/407208098.db2.gz GPPYRTLMCXYQPC-UHFFFAOYSA-N 2 2 322.453 1.577 50 0 DDAALP C[NH+]1CCN(CCc2noc([C@@H]3CCCCC[N@@H+]3C)n2)CC1 ZINC000095381009 407212283 /nfs/dbraw/zinc/21/22/83/407212283.db2.gz CKUDUZHZQUGGTP-AWEZNQCLSA-N 2 2 307.442 1.406 50 0 DDAALP C[NH+]1CCN(CCc2noc([C@@H]3CCCCC[N@H+]3C)n2)CC1 ZINC000095381009 407212286 /nfs/dbraw/zinc/21/22/86/407212286.db2.gz CKUDUZHZQUGGTP-AWEZNQCLSA-N 2 2 307.442 1.406 50 0 DDAALP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCc2cccc(Oc3ccccc3)c2)C1 ZINC000067712867 407281670 /nfs/dbraw/zinc/28/16/70/407281670.db2.gz BUAXNZHFVVNAAD-PBHICJAKSA-N 2 2 311.385 1.784 50 0 DDAALP CCN(CCc1[nH]c2ccc(OC)cc2[nH+]1)C(=O)[C@H]1CC[NH2+]C1 ZINC000214985466 407480873 /nfs/dbraw/zinc/48/08/73/407480873.db2.gz XRDVZMXEAPZERQ-LBPRGKRZSA-N 2 2 316.405 1.572 50 0 DDAALP [NH3+]C1CC(c2cc(N3CC[NH+](Cc4cccnc4)CC3)ncn2)C1 ZINC000223742777 407571496 /nfs/dbraw/zinc/57/14/96/407571496.db2.gz DVDJZXNEZCJKNN-UHFFFAOYSA-N 2 2 324.432 1.399 50 0 DDAALP C[C@@H](C[NH+]1CCCCCC1)Nc1cc(N2CCOCC2)[nH+]cn1 ZINC000225487182 407590816 /nfs/dbraw/zinc/59/08/16/407590816.db2.gz CNLKVEIIZLSFGA-HNNXBMFYSA-N 2 2 319.453 1.990 50 0 DDAALP CC(C)(C)n1cc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)nn1 ZINC000252492211 408798309 /nfs/dbraw/zinc/79/83/09/408798309.db2.gz MFOAJGUXDUYBKI-AWEZNQCLSA-N 2 2 321.469 1.624 50 0 DDAALP Cc1[nH+]ccn1CC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000297351875 227049079 /nfs/dbraw/zinc/04/90/79/227049079.db2.gz HUSBBKGUJWMTJT-AWEZNQCLSA-N 2 2 313.405 1.492 50 0 DDAALP O[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C1CCN(c2ccc(F)c(F)c2)CC1 ZINC000426497111 419491609 /nfs/dbraw/zinc/49/16/09/419491609.db2.gz FXRZBEDHRQLKQK-JKSUJKDBSA-N 2 2 311.376 1.246 50 0 DDAALP CC(C)[C@@H](O)C[NH2+]C1(CO)CC[NH+](Cc2ccccc2)CC1 ZINC000888095574 709211996 /nfs/dbraw/zinc/21/19/96/709211996.db2.gz OHHCQBHDMMEDQA-KRWDZBQOSA-N 2 2 306.450 1.620 50 0 DDAALP C[NH+](C)C[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CNc2ccnn2C1 ZINC000058296097 282131290 /nfs/dbraw/zinc/13/12/90/282131290.db2.gz PBHCWQIBZUJFIH-SJORKVTESA-N 2 2 313.449 1.687 50 0 DDAALP CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCC[C@@H]2n2cc[nH+]c2)C1 ZINC000095407642 185356098 /nfs/dbraw/zinc/35/60/98/185356098.db2.gz VNTPSWWYDCOCES-XHSDSOJGSA-N 2 2 319.453 1.960 50 0 DDAALP CC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCC[C@@H]2n2cc[nH+]c2)C1 ZINC000095407642 185356099 /nfs/dbraw/zinc/35/60/99/185356099.db2.gz VNTPSWWYDCOCES-XHSDSOJGSA-N 2 2 319.453 1.960 50 0 DDAALP Cn1c(C[NH+](C)C)nnc1[C@H]1CCC[N@H+](Cc2ccncc2)C1 ZINC000072411225 191153851 /nfs/dbraw/zinc/15/38/51/191153851.db2.gz XQOBGUGVJXAWBK-HNNXBMFYSA-N 2 2 314.437 1.651 50 0 DDAALP Cn1c(C[NH+](C)C)nnc1[C@H]1CCC[N@@H+](Cc2ccncc2)C1 ZINC000072411225 191153854 /nfs/dbraw/zinc/15/38/54/191153854.db2.gz XQOBGUGVJXAWBK-HNNXBMFYSA-N 2 2 314.437 1.651 50 0 DDAALP O=C(NC1CC[NH+](CCn2cc[nH+]c2)CC1)c1ccsc1 ZINC000179314779 199013801 /nfs/dbraw/zinc/01/38/01/199013801.db2.gz RTIYLHCQRNJJPD-UHFFFAOYSA-N 2 2 304.419 1.839 50 0 DDAALP Cc1ccc(C[N@@H+]2C[C@H](CO)[C@H](C[NH+]3CCC(CO)CC3)C2)o1 ZINC000091535826 193070990 /nfs/dbraw/zinc/07/09/90/193070990.db2.gz ZJCDMWJOGYUKBE-IAGOWNOFSA-N 2 2 322.449 1.333 50 0 DDAALP Cc1ccc(C[N@H+]2C[C@H](CO)[C@H](C[NH+]3CCC(CO)CC3)C2)o1 ZINC000091535826 193070991 /nfs/dbraw/zinc/07/09/91/193070991.db2.gz ZJCDMWJOGYUKBE-IAGOWNOFSA-N 2 2 322.449 1.333 50 0 DDAALP CCc1[nH+]c(C)ccc1OCC(=O)N1C[C@H]([NH3+])[C@@H](C(C)C)C1 ZINC000091586065 193075320 /nfs/dbraw/zinc/07/53/20/193075320.db2.gz MNYCJADUSRSENC-KGLIPLIRSA-N 2 2 305.422 1.773 50 0 DDAALP Cc1n[nH]c(C)c1[C@H]([NH3+])C(=O)NCC1(Cn2cc[nH+]c2C)CC1 ZINC000091695294 193092771 /nfs/dbraw/zinc/09/27/71/193092771.db2.gz KKMSQMNLNVBDNR-AWEZNQCLSA-N 2 2 316.409 1.128 50 0 DDAALP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000065444412 184346196 /nfs/dbraw/zinc/34/61/96/184346196.db2.gz YUJYLBNROLPDEY-HUUCEWRRSA-N 2 2 305.426 1.541 50 0 DDAALP C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)Cc1cn2ccccc2[nH+]1 ZINC000069739210 406763962 /nfs/dbraw/zinc/76/39/62/406763962.db2.gz AKDMZVRXJPFSBN-HOTGVXAUSA-N 2 2 312.417 1.962 50 0 DDAALP C[N@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)Cc1cn2ccccc2[nH+]1 ZINC000069739210 406763970 /nfs/dbraw/zinc/76/39/70/406763970.db2.gz AKDMZVRXJPFSBN-HOTGVXAUSA-N 2 2 312.417 1.962 50 0 DDAALP CCOc1nnc(C[N@H+](C)CC2CC[NH+](CCO)CC2)s1 ZINC000070011711 406801020 /nfs/dbraw/zinc/80/10/20/406801020.db2.gz LAUFOFZKWFJUSN-UHFFFAOYSA-N 2 2 314.455 1.073 50 0 DDAALP CCOc1nnc(C[N@@H+](C)CC2CC[NH+](CCO)CC2)s1 ZINC000070011711 406801024 /nfs/dbraw/zinc/80/10/24/406801024.db2.gz LAUFOFZKWFJUSN-UHFFFAOYSA-N 2 2 314.455 1.073 50 0 DDAALP C[C@@H]1C[C@H](NC[C@@H]2C[C@H](O)C[NH+]2Cc2ccccc2)C[N@@H+]1C ZINC000090914450 407172259 /nfs/dbraw/zinc/17/22/59/407172259.db2.gz XZZBGJNNIZOVPK-UBDQQSCGSA-N 2 2 303.450 1.304 50 0 DDAALP C[C@@H]1C[C@H](NC[C@@H]2C[C@H](O)C[NH+]2Cc2ccccc2)C[N@H+]1C ZINC000090914450 407172260 /nfs/dbraw/zinc/17/22/60/407172260.db2.gz XZZBGJNNIZOVPK-UBDQQSCGSA-N 2 2 303.450 1.304 50 0 DDAALP C[C@@H]1C[C@H](NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)C[NH+]1C ZINC000090914450 407172262 /nfs/dbraw/zinc/17/22/62/407172262.db2.gz XZZBGJNNIZOVPK-UBDQQSCGSA-N 2 2 303.450 1.304 50 0 DDAALP C[C@@H]1C[C@H](NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)C[NH+]1C ZINC000090914450 407172263 /nfs/dbraw/zinc/17/22/63/407172263.db2.gz XZZBGJNNIZOVPK-UBDQQSCGSA-N 2 2 303.450 1.304 50 0 DDAALP Cc1ccc(-c2noc([C@@H]3CCC[N@@H+]3C3CC[NH2+]CC3)n2)nn1 ZINC000095528962 407214431 /nfs/dbraw/zinc/21/44/31/407214431.db2.gz XOZFFRCFCQILDZ-AWEZNQCLSA-N 2 2 314.393 1.724 50 0 DDAALP Cc1ccc(-c2noc([C@@H]3CCC[N@H+]3C3CC[NH2+]CC3)n2)nn1 ZINC000095528962 407214433 /nfs/dbraw/zinc/21/44/33/407214433.db2.gz XOZFFRCFCQILDZ-AWEZNQCLSA-N 2 2 314.393 1.724 50 0 DDAALP O=C(CC[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)N1CCOCC1 ZINC000097200702 407286931 /nfs/dbraw/zinc/28/69/31/407286931.db2.gz CFVMOURAOJXEHC-OAHLLOKOSA-N 2 2 318.421 1.064 50 0 DDAALP O=C(CC[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)N1CCOCC1 ZINC000097200702 407286934 /nfs/dbraw/zinc/28/69/34/407286934.db2.gz CFVMOURAOJXEHC-OAHLLOKOSA-N 2 2 318.421 1.064 50 0 DDAALP COc1c(F)cc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)cc1F ZINC000097569016 407300118 /nfs/dbraw/zinc/30/01/18/407300118.db2.gz BMNPYQPASWGMOC-CYBMUJFWSA-N 2 2 311.376 1.453 50 0 DDAALP CC[N@H+](C)[C@H](C(=O)N1CC[NH+](C[C@H](C)O)CC1)c1ccccc1 ZINC000106868938 407364145 /nfs/dbraw/zinc/36/41/45/407364145.db2.gz CWVGZXSYEQCIHC-RDJZCZTQSA-N 2 2 319.449 1.204 50 0 DDAALP CC[N@@H+](C)[C@H](C(=O)N1CC[NH+](C[C@H](C)O)CC1)c1ccccc1 ZINC000106868938 407364146 /nfs/dbraw/zinc/36/41/46/407364146.db2.gz CWVGZXSYEQCIHC-RDJZCZTQSA-N 2 2 319.449 1.204 50 0 DDAALP CCn1nc(C)c(NC(=O)C[N@H+](C)CCn2cc[nH+]c2C)c1C ZINC000244633684 407927915 /nfs/dbraw/zinc/92/79/15/407927915.db2.gz GHTQOZRYCIFWTC-UHFFFAOYSA-N 2 2 318.425 1.595 50 0 DDAALP CCn1nc(C)c(NC(=O)C[N@@H+](C)CCn2cc[nH+]c2C)c1C ZINC000244633684 407927920 /nfs/dbraw/zinc/92/79/20/407927920.db2.gz GHTQOZRYCIFWTC-UHFFFAOYSA-N 2 2 318.425 1.595 50 0 DDAALP Cc1ccccc1OCCCON1C(=[NH2+])NC(=[NH2+])NC1(C)C ZINC000045194199 418437786 /nfs/dbraw/zinc/43/77/86/418437786.db2.gz XGEKIMXWORTBMJ-UHFFFAOYSA-N 2 2 305.382 1.377 50 0 DDAALP CO[C@H]1C[N@H+](C)C[C@@H]1NC(=O)c1ccccc1-c1[nH]cc[nH+]1 ZINC000534634939 334308982 /nfs/dbraw/zinc/30/89/82/334308982.db2.gz DKJKKGRJWCVOMI-KBPBESRZSA-N 2 2 300.362 1.136 50 0 DDAALP CO[C@H]1C[N@@H+](C)C[C@@H]1NC(=O)c1ccccc1-c1[nH]cc[nH+]1 ZINC000534634939 334308984 /nfs/dbraw/zinc/30/89/84/334308984.db2.gz DKJKKGRJWCVOMI-KBPBESRZSA-N 2 2 300.362 1.136 50 0 DDAALP O=C(NC[C@@H]1CCC[N@H+](CCc2[nH]cc[nH+]2)C1)C1CCCC1 ZINC000952969664 721529458 /nfs/dbraw/zinc/52/94/58/721529458.db2.gz ONCOUFJKHVLBSA-AWEZNQCLSA-N 2 2 304.438 1.971 50 0 DDAALP O=C(NC[C@@H]1CCC[N@@H+](CCc2[nH]cc[nH+]2)C1)C1CCCC1 ZINC000952969664 721529459 /nfs/dbraw/zinc/52/94/59/721529459.db2.gz ONCOUFJKHVLBSA-AWEZNQCLSA-N 2 2 304.438 1.971 50 0 DDAALP O=C1CC[C@H]2C[N@H+](CC3CC3)CC[C@H]2N1CCc1c[nH+]c[nH]1 ZINC000072427910 191161485 /nfs/dbraw/zinc/16/14/85/191161485.db2.gz PYIFYMRYKNDFHT-GOEBONIOSA-N 2 2 302.422 1.675 50 0 DDAALP O=C1CC[C@H]2C[N@@H+](CC3CC3)CC[C@H]2N1CCc1c[nH+]c[nH]1 ZINC000072427910 191161486 /nfs/dbraw/zinc/16/14/86/191161486.db2.gz PYIFYMRYKNDFHT-GOEBONIOSA-N 2 2 302.422 1.675 50 0 DDAALP O=C1CC[C@H]2C[N@H+](CC3CC3)CC[C@H]2N1CCc1c[nH]c[nH+]1 ZINC000072427910 191161488 /nfs/dbraw/zinc/16/14/88/191161488.db2.gz PYIFYMRYKNDFHT-GOEBONIOSA-N 2 2 302.422 1.675 50 0 DDAALP O=C1CC[C@H]2C[N@@H+](CC3CC3)CC[C@H]2N1CCc1c[nH]c[nH+]1 ZINC000072427910 191161491 /nfs/dbraw/zinc/16/14/91/191161491.db2.gz PYIFYMRYKNDFHT-GOEBONIOSA-N 2 2 302.422 1.675 50 0 DDAALP Fc1cccc(C[NH+]2CCC([NH2+]CCN3CCOCC3)CC2)c1 ZINC000195577899 354298451 /nfs/dbraw/zinc/29/84/51/354298451.db2.gz BZFYWWGGPBLTOQ-UHFFFAOYSA-N 2 2 321.440 1.712 50 0 DDAALP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)[C@H]2CC[C@H]([NH3+])C2)CC1 ZINC000262642285 203362374 /nfs/dbraw/zinc/36/23/74/203362374.db2.gz LQEDFMKZMZESHW-YCPHGPKFSA-N 2 2 302.422 1.414 50 0 DDAALP Cc1nc(CNc2cc(C3CC([NH3+])C3)[nH+]c(N)n2)sc1C ZINC000223326929 407567544 /nfs/dbraw/zinc/56/75/44/407567544.db2.gz VPXLHUSDKWOKIC-UHFFFAOYSA-N 2 2 304.423 1.949 50 0 DDAALP CCn1cc[nH+]c1CN1CC[NH+](CC2(O)CCCCC2)CC1 ZINC000069485233 406719468 /nfs/dbraw/zinc/71/94/68/406719468.db2.gz WEMQILATSIPVAE-UHFFFAOYSA-N 2 2 306.454 1.716 50 0 DDAALP C[NH+]1CCC([N@@H+]2CCC[C@H](NC(=O)CC(F)(F)F)C2)CC1 ZINC000015076429 406878301 /nfs/dbraw/zinc/87/83/01/406878301.db2.gz DOPALCJDWMRTPR-NSHDSACASA-N 2 2 307.360 1.614 50 0 DDAALP C[NH+]1CCC([N@H+]2CCC[C@H](NC(=O)CC(F)(F)F)C2)CC1 ZINC000015076429 406878302 /nfs/dbraw/zinc/87/83/02/406878302.db2.gz DOPALCJDWMRTPR-NSHDSACASA-N 2 2 307.360 1.614 50 0 DDAALP COCC[NH+]1CCN(C(=O)[C@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC000095372012 407211189 /nfs/dbraw/zinc/21/11/89/407211189.db2.gz FWBIEUKCBUGIIH-INIZCTEOSA-N 2 2 323.412 1.219 50 0 DDAALP Cc1cccn2c(CC(=O)N3CC[C@@]4(C3)CCC[NH2+]C4)c[nH+]c12 ZINC000067677222 407279816 /nfs/dbraw/zinc/27/98/16/407279816.db2.gz WDHDWRVRPRGVIM-SFHVURJKSA-N 2 2 312.417 1.787 50 0 DDAALP [NH3+][C@H]1CCN(Cc2cccc(OCCCn3cc[nH+]c3)c2)C1 ZINC000216243256 407496739 /nfs/dbraw/zinc/49/67/39/407496739.db2.gz FZVAVIAGNVFSDV-INIZCTEOSA-N 2 2 300.406 1.885 50 0 DDAALP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@H](O)Cn2cccn2)C1 ZINC000171634799 407727501 /nfs/dbraw/zinc/72/75/01/407727501.db2.gz UYIZPMCCBHYZEC-GJZGRUSLSA-N 2 2 303.410 1.340 50 0 DDAALP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@H](O)Cn2cccn2)C1 ZINC000171634799 407727507 /nfs/dbraw/zinc/72/75/07/407727507.db2.gz UYIZPMCCBHYZEC-GJZGRUSLSA-N 2 2 303.410 1.340 50 0 DDAALP CCn1c(C[N@H+](C)CCC2(O)CCCC2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000243893560 407921866 /nfs/dbraw/zinc/92/18/66/407921866.db2.gz ASCRHZDQOKTISC-OKILXGFUSA-N 2 2 321.469 1.630 50 0 DDAALP CCn1c(C[N@@H+](C)CCC2(O)CCCC2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000243893560 407921871 /nfs/dbraw/zinc/92/18/71/407921871.db2.gz ASCRHZDQOKTISC-OKILXGFUSA-N 2 2 321.469 1.630 50 0 DDAALP C[N@@H+]1CCN2CC[NH+](Cc3ccc(-c4cc[nH]n4)s3)C[C@H]2C1 ZINC000244708307 407930711 /nfs/dbraw/zinc/93/07/11/407930711.db2.gz KRJASVFJHYWATF-CYBMUJFWSA-N 2 2 317.462 1.570 50 0 DDAALP C[N@H+]1CCN2CC[NH+](Cc3ccc(-c4cc[nH]n4)s3)C[C@H]2C1 ZINC000244708307 407930716 /nfs/dbraw/zinc/93/07/16/407930716.db2.gz KRJASVFJHYWATF-CYBMUJFWSA-N 2 2 317.462 1.570 50 0 DDAALP C[NH+]1CCN2CC[N@H+](Cc3ccc(-c4cc[nH]n4)s3)C[C@H]2C1 ZINC000244708307 407930723 /nfs/dbraw/zinc/93/07/23/407930723.db2.gz KRJASVFJHYWATF-CYBMUJFWSA-N 2 2 317.462 1.570 50 0 DDAALP C[NH+]1CCN2CC[N@@H+](Cc3ccc(-c4cc[nH]n4)s3)C[C@H]2C1 ZINC000244708307 407930729 /nfs/dbraw/zinc/93/07/29/407930729.db2.gz KRJASVFJHYWATF-CYBMUJFWSA-N 2 2 317.462 1.570 50 0 DDAALP Cc1noc(C)c1C[NH+]1CCN(C(=O)CC2CC[NH2+]CC2)CC1 ZINC000165458873 408810953 /nfs/dbraw/zinc/81/09/53/408810953.db2.gz BLWSRSOQJLCWQY-UHFFFAOYSA-N 2 2 320.437 1.325 50 0 DDAALP Cc1[nH+]ccn1CC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000297351883 227049428 /nfs/dbraw/zinc/04/94/28/227049428.db2.gz HUSBBKGUJWMTJT-CQSZACIVSA-N 2 2 313.405 1.492 50 0 DDAALP C[NH+](C)[C@@H]1CCN(C(=O)c2ccc(-c3ccc(N)[nH+]c3)cc2)C1 ZINC000426369172 419450293 /nfs/dbraw/zinc/45/02/93/419450293.db2.gz KHMLQNRCEZWPND-MRXNPFEDSA-N 2 2 310.401 2.107 50 0 DDAALP O[C@]12CC[NH2+]C[C@H]1CN(c1cc(C(F)(F)F)cc[nH+]1)CC2 ZINC000095357799 275060541 /nfs/dbraw/zinc/06/05/41/275060541.db2.gz CVDGDOLKMPBQLY-AAEUAGOBSA-N 2 2 301.312 1.651 50 0 DDAALP Cc1c[nH+]c(NC2(C[NH+]3CCOCC3)CCCC2)nc1N(C)C ZINC000065370727 302363342 /nfs/dbraw/zinc/36/33/42/302363342.db2.gz DFUZVYANCOYSTN-UHFFFAOYSA-N 2 2 319.453 1.908 50 0 DDAALP CC(C)[C@@H](NC(=O)CCC[NH+]1CCOCC1)c1[nH+]ccn1C ZINC000534661396 334321955 /nfs/dbraw/zinc/32/19/55/334321955.db2.gz HGRHRGUSOPEVOD-OAHLLOKOSA-N 2 2 308.426 1.346 50 0 DDAALP CN1CC[NH+]([C@H]2COC[C@@H]2Nc2cc[nH+]c3ccccc23)CC1 ZINC000823792790 758363013 /nfs/dbraw/zinc/36/30/13/758363013.db2.gz YRFMMMFHCHWSEV-ROUUACIJSA-N 2 2 312.417 1.083 50 0 DDAALP Cc1ccc(C)c2c(=O)cc(C[N@@H+]3CC[C@@H]([NH3+])[C@H](O)C3)[nH]c12 ZINC000082097566 192354946 /nfs/dbraw/zinc/35/49/46/192354946.db2.gz GDNMNNAHAZQIBO-UKRRQHHQSA-N 2 2 301.390 1.039 50 0 DDAALP Cc1ccc(C)c2c(=O)cc(C[N@H+]3CC[C@@H]([NH3+])[C@H](O)C3)[nH]c12 ZINC000082097566 192354947 /nfs/dbraw/zinc/35/49/47/192354947.db2.gz GDNMNNAHAZQIBO-UKRRQHHQSA-N 2 2 301.390 1.039 50 0 DDAALP c1cn(-c2ccc(C[N@@H+]3CCO[C@@H](Cn4cncn4)C3)cc2)c[nH+]1 ZINC000072253370 191087760 /nfs/dbraw/zinc/08/77/60/191087760.db2.gz DBTVRCSOFCCTEU-QGZVFWFLSA-N 2 2 324.388 1.365 50 0 DDAALP c1cn(-c2ccc(C[N@H+]3CCO[C@@H](Cn4cncn4)C3)cc2)c[nH+]1 ZINC000072253370 191087762 /nfs/dbraw/zinc/08/77/62/191087762.db2.gz DBTVRCSOFCCTEU-QGZVFWFLSA-N 2 2 324.388 1.365 50 0 DDAALP Cn1c(C[NH+](C)C)nnc1[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000072472988 191175964 /nfs/dbraw/zinc/17/59/64/191175964.db2.gz WWUVIZBZYJWONZ-HNNXBMFYSA-N 2 2 314.437 1.651 50 0 DDAALP Cn1c(C[NH+](C)C)nnc1[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000072472988 191175967 /nfs/dbraw/zinc/17/59/67/191175967.db2.gz WWUVIZBZYJWONZ-HNNXBMFYSA-N 2 2 314.437 1.651 50 0 DDAALP CN(CCn1cc[nH+]c1)C(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000584902602 354801532 /nfs/dbraw/zinc/80/15/32/354801532.db2.gz OYUHBJDMPKYRSS-OAHLLOKOSA-N 2 2 313.405 1.653 50 0 DDAALP CCOc1cc(C[NH2+]CC[NH2+]CCO)cc(Cl)c1OC ZINC000022076070 182308348 /nfs/dbraw/zinc/30/83/48/182308348.db2.gz IMUICGXXPOKYOA-UHFFFAOYSA-N 2 2 302.802 1.419 50 0 DDAALP CN(C(=O)NCC(F)(F)F)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000071908628 406866615 /nfs/dbraw/zinc/86/66/15/406866615.db2.gz RKIFQKVLWDNNPL-LBPRGKRZSA-N 2 2 322.375 1.359 50 0 DDAALP CN(C(=O)NCC(F)(F)F)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000071908628 406866619 /nfs/dbraw/zinc/86/66/19/406866619.db2.gz RKIFQKVLWDNNPL-LBPRGKRZSA-N 2 2 322.375 1.359 50 0 DDAALP CC[NH+]1CCN(C2=[NH+]CCN2C(=O)c2ccc(OC)cc2)CC1 ZINC000096339202 407258863 /nfs/dbraw/zinc/25/88/63/407258863.db2.gz XISKRGZURGPKBT-UHFFFAOYSA-N 2 2 316.405 1.145 50 0 DDAALP CCn1cc[nH+]c1CNC(=O)[C@H](C(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000331332459 411068724 /nfs/dbraw/zinc/06/87/24/411068724.db2.gz PASXVSHDGLSCCM-LZWOXQAQSA-N 2 2 322.453 1.653 50 0 DDAALP CCn1cc[nH+]c1CNC(=O)[C@H](C(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000331332459 411068728 /nfs/dbraw/zinc/06/87/28/411068728.db2.gz PASXVSHDGLSCCM-LZWOXQAQSA-N 2 2 322.453 1.653 50 0 DDAALP Cc1cccc(CNC(=O)C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000408513679 418806466 /nfs/dbraw/zinc/80/64/66/418806466.db2.gz SUXXQQHWUWRFAW-MRXNPFEDSA-N 2 2 312.417 1.834 50 0 DDAALP Cc1cccc(CNC(=O)C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000408513679 418806468 /nfs/dbraw/zinc/80/64/68/418806468.db2.gz SUXXQQHWUWRFAW-MRXNPFEDSA-N 2 2 312.417 1.834 50 0 DDAALP COCC[N@H+](C)CC(=O)NCc1ccc2c(c1)[nH+]c(C)n2C ZINC000670456456 484841156 /nfs/dbraw/zinc/84/11/56/484841156.db2.gz ZSYHEDUDJYSLPH-UHFFFAOYSA-N 2 2 304.394 1.076 50 0 DDAALP COCC[N@@H+](C)CC(=O)NCc1ccc2c(c1)[nH+]c(C)n2C ZINC000670456456 484841164 /nfs/dbraw/zinc/84/11/64/484841164.db2.gz ZSYHEDUDJYSLPH-UHFFFAOYSA-N 2 2 304.394 1.076 50 0 DDAALP CCCc1ccc(C[N@@H+]2C[C@H](O)[C@@H](N3CC[NH+](C)CC3)C2)o1 ZINC000216073652 539264480 /nfs/dbraw/zinc/26/44/80/539264480.db2.gz FTVNZRPYNQTGRX-IRXDYDNUSA-N 2 2 307.438 1.025 50 0 DDAALP CCCc1ccc(C[N@H+]2C[C@H](O)[C@@H](N3CC[NH+](C)CC3)C2)o1 ZINC000216073652 539264482 /nfs/dbraw/zinc/26/44/82/539264482.db2.gz FTVNZRPYNQTGRX-IRXDYDNUSA-N 2 2 307.438 1.025 50 0 DDAALP Cn1ccnc1C[NH2+]CC1(C[NH+]2CCOCC2)CCCCC1 ZINC000083476669 192370834 /nfs/dbraw/zinc/37/08/34/192370834.db2.gz VILRLCSKMCHVLJ-UHFFFAOYSA-N 2 2 306.454 1.792 50 0 DDAALP Cn1c2ccccc2nc1C[N@@H+]1C[C@H](CO)[C@H](C[NH+](C)C)C1 ZINC000091650844 193085065 /nfs/dbraw/zinc/08/50/65/193085065.db2.gz AHTOOMVEQQJSTO-ZIAGYGMSSA-N 2 2 302.422 1.175 50 0 DDAALP Cn1c2ccccc2nc1C[N@H+]1C[C@H](CO)[C@H](C[NH+](C)C)C1 ZINC000091650844 193085067 /nfs/dbraw/zinc/08/50/67/193085067.db2.gz AHTOOMVEQQJSTO-ZIAGYGMSSA-N 2 2 302.422 1.175 50 0 DDAALP C[C@H](CC(=O)N1CCC(C[NH+]2CCOCC2)CC1)n1cc[nH+]c1 ZINC000091664638 193086406 /nfs/dbraw/zinc/08/64/06/193086406.db2.gz VXLHKIOFBOXYQF-OAHLLOKOSA-N 2 2 320.437 1.405 50 0 DDAALP O=C(NCCn1cc[nH+]c1)N1CC[NH+](Cc2ccco2)CC1 ZINC000043311708 183354102 /nfs/dbraw/zinc/35/41/02/183354102.db2.gz PGPSMAVIPAYOHI-UHFFFAOYSA-N 2 2 303.366 1.004 50 0 DDAALP c1cc2n(n1)C[C@H](C[NH2+]C1CCN(c3cccc[nH+]3)CC1)CN2 ZINC000058304950 184103132 /nfs/dbraw/zinc/10/31/32/184103132.db2.gz SPGRVVOGMFZOJH-CQSZACIVSA-N 2 2 312.421 1.578 50 0 DDAALP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000237427051 257238328 /nfs/dbraw/zinc/23/83/28/257238328.db2.gz SXVVNGRDEWXJPN-BMFZPTHFSA-N 2 2 302.422 1.414 50 0 DDAALP CC[C@H]1CN(c2nc(N(C)C)cc(C)[nH+]2)CC[N@@H+]1C[C@@H](C)O ZINC000072276336 406877894 /nfs/dbraw/zinc/87/78/94/406877894.db2.gz YRPCXCIUJZBLCR-KGLIPLIRSA-N 2 2 307.442 1.132 50 0 DDAALP CC[C@H]1CN(c2nc(N(C)C)cc(C)[nH+]2)CC[N@H+]1C[C@@H](C)O ZINC000072276336 406877895 /nfs/dbraw/zinc/87/78/95/406877895.db2.gz YRPCXCIUJZBLCR-KGLIPLIRSA-N 2 2 307.442 1.132 50 0 DDAALP COCC[NH+]1CCN(C(=O)[C@@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC000095372013 407210762 /nfs/dbraw/zinc/21/07/62/407210762.db2.gz FWBIEUKCBUGIIH-MRXNPFEDSA-N 2 2 323.412 1.219 50 0 DDAALP O[C@H](COC[C@@H]1CCCO1)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000095972683 407219292 /nfs/dbraw/zinc/21/92/92/407219292.db2.gz MKYOAPVSWLFKHR-ILXRZTDVSA-N 2 2 309.410 1.146 50 0 DDAALP O[C@H](COC[C@@H]1CCCO1)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000095972683 407219295 /nfs/dbraw/zinc/21/92/95/407219295.db2.gz MKYOAPVSWLFKHR-ILXRZTDVSA-N 2 2 309.410 1.146 50 0 DDAALP Cc1ccc(N2CCC(C(=O)NCCn3cc[nH+]c3)CC2)[nH+]c1 ZINC000065411576 407243817 /nfs/dbraw/zinc/24/38/17/407243817.db2.gz IKEVVPHIIXZYAC-UHFFFAOYSA-N 2 2 313.405 1.619 50 0 DDAALP C[C@H]1c2cc(F)ccc2CCN1C(=O)C[N@H+](C)C1CC[NH2+]CC1 ZINC000215432074 407485528 /nfs/dbraw/zinc/48/55/28/407485528.db2.gz CGQIJQUNEXZKQM-ZDUSSCGKSA-N 2 2 319.424 1.955 50 0 DDAALP C[C@H]1c2cc(F)ccc2CCN1C(=O)C[N@@H+](C)C1CC[NH2+]CC1 ZINC000215432074 407485532 /nfs/dbraw/zinc/48/55/32/407485532.db2.gz CGQIJQUNEXZKQM-ZDUSSCGKSA-N 2 2 319.424 1.955 50 0 DDAALP COCCc1noc(C[NH+]2CCC(Cn3cc[nH+]c3C)CC2)n1 ZINC000244734895 407934835 /nfs/dbraw/zinc/93/48/35/407934835.db2.gz NNOGRWLFLWVXBX-UHFFFAOYSA-N 2 2 319.409 1.676 50 0 DDAALP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000253369988 408813999 /nfs/dbraw/zinc/81/39/99/408813999.db2.gz KUTQPQRBWHXYGP-CAOSSQGBSA-N 2 2 323.481 1.332 50 0 DDAALP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000253369988 408814001 /nfs/dbraw/zinc/81/40/01/408814001.db2.gz KUTQPQRBWHXYGP-CAOSSQGBSA-N 2 2 323.481 1.332 50 0 DDAALP CC[NH+]1CCN(c2[nH]c3cn(C4CCCC4)c(=O)c-3c[nH+]2)CC1 ZINC000046088858 418445612 /nfs/dbraw/zinc/44/56/12/418445612.db2.gz IACPPIFCANBIGH-UHFFFAOYSA-N 2 2 315.421 1.517 50 0 DDAALP CCn1cc[nH+]c1CN(C)c1cc([C@@H]2CCOC2)[nH+]c(N)n1 ZINC000426503444 419489202 /nfs/dbraw/zinc/48/92/02/419489202.db2.gz SEKUKRQZQRURQH-LLVKDONJSA-N 2 2 302.382 1.416 50 0 DDAALP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC3(CCOCC3)CC2)CC1 ZINC000367069638 307084567 /nfs/dbraw/zinc/08/45/67/307084567.db2.gz XNTQURXGIMAODM-MRXNPFEDSA-N 2 2 323.481 1.432 50 0 DDAALP Cn1ncc2c1nc[nH+]c2N[C@H]1C[C@H]([NH+]2CCOCC2)C1(C)C ZINC000585092026 483920469 /nfs/dbraw/zinc/92/04/69/483920469.db2.gz BHLVPRJPFQLEQO-STQMWFEESA-N 2 2 316.409 1.275 50 0 DDAALP CC[NH+]1CCN(CC(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)CC1 ZINC000073037285 490582226 /nfs/dbraw/zinc/58/22/26/490582226.db2.gz IBJWEJHAPDROMR-HNNXBMFYSA-N 2 2 321.469 1.052 50 0 DDAALP CC(C)Cc1nc([C@@H]([NH3+])Cc2c[nH]cn2)n(-c2cc[nH+]cc2)n1 ZINC000952861047 775589317 /nfs/dbraw/zinc/58/93/17/775589317.db2.gz BRYOUOZAOYRAJX-AWEZNQCLSA-N 2 2 311.393 1.826 50 0 DDAALP CC(=O)NCC1CCN(c2ccc(Cn3cc[nH+]c3)c[nH+]2)CC1 ZINC000082155769 192362504 /nfs/dbraw/zinc/36/25/04/192362504.db2.gz JKVNOWBFVJSXFT-UHFFFAOYSA-N 2 2 313.405 1.679 50 0 DDAALP CN(C)c1ccc(C[N@@H+]2CCC[C@](O)(C[NH+]3CCCC3)C2)cn1 ZINC000077535360 282289459 /nfs/dbraw/zinc/28/94/59/282289459.db2.gz PXUXFDVACMMBSH-SFHVURJKSA-N 2 2 318.465 1.570 50 0 DDAALP CN(C)c1ccc(C[N@H+]2CCC[C@](O)(C[NH+]3CCCC3)C2)cn1 ZINC000077535360 282289462 /nfs/dbraw/zinc/28/94/62/282289462.db2.gz PXUXFDVACMMBSH-SFHVURJKSA-N 2 2 318.465 1.570 50 0 DDAALP Cc1noc([C@]23C[NH+](Cc4c[nH]nc4C)C[C@H]2C[N@H+](C)CC3)n1 ZINC000685940423 539564955 /nfs/dbraw/zinc/56/49/55/539564955.db2.gz KPGCEWMKGHJQPD-GDBMZVCRSA-N 2 2 316.409 1.115 50 0 DDAALP Cc1noc([C@]23C[NH+](Cc4c[nH]nc4C)C[C@H]2C[N@@H+](C)CC3)n1 ZINC000685940423 539564957 /nfs/dbraw/zinc/56/49/57/539564957.db2.gz KPGCEWMKGHJQPD-GDBMZVCRSA-N 2 2 316.409 1.115 50 0 DDAALP Cc1noc([C@]23C[N@H+](Cc4c[nH]nc4C)C[C@H]2C[NH+](C)CC3)n1 ZINC000685940423 539564959 /nfs/dbraw/zinc/56/49/59/539564959.db2.gz KPGCEWMKGHJQPD-GDBMZVCRSA-N 2 2 316.409 1.115 50 0 DDAALP Cc1noc([C@]23C[N@@H+](Cc4c[nH]nc4C)C[C@H]2C[NH+](C)CC3)n1 ZINC000685940423 539564960 /nfs/dbraw/zinc/56/49/60/539564960.db2.gz KPGCEWMKGHJQPD-GDBMZVCRSA-N 2 2 316.409 1.115 50 0 DDAALP c1cn(C[C@H]2CCC[N@H+](Cc3cc4n(n3)CCC[NH2+]C4)C2)c[nH+]1 ZINC000072146794 191053368 /nfs/dbraw/zinc/05/33/68/191053368.db2.gz PGIXSXGSURLFAO-HNNXBMFYSA-N 3 2 314.437 1.485 50 0 DDAALP c1cn(C[C@H]2CCC[N@@H+](Cc3cc4n(n3)CCC[NH2+]C4)C2)c[nH+]1 ZINC000072146794 191053370 /nfs/dbraw/zinc/05/33/70/191053370.db2.gz PGIXSXGSURLFAO-HNNXBMFYSA-N 3 2 314.437 1.485 50 0 DDAALP CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)[C@H](C)[NH3+] ZINC000253369710 186300845 /nfs/dbraw/zinc/30/08/45/186300845.db2.gz HAVIEWDUZPQNNP-QRTARXTBSA-N 2 2 318.465 1.796 50 0 DDAALP CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)[C@H](C)[NH3+] ZINC000253369710 186300847 /nfs/dbraw/zinc/30/08/47/186300847.db2.gz HAVIEWDUZPQNNP-QRTARXTBSA-N 2 2 318.465 1.796 50 0 DDAALP Cc1[nH+]ccn1-c1cc(NCCNC(=O)C2CCCC2)[nH+]cn1 ZINC000072434174 191163919 /nfs/dbraw/zinc/16/39/19/191163919.db2.gz FGSNOVQTUQFJNH-UHFFFAOYSA-N 2 2 314.393 1.689 50 0 DDAALP COCCn1cc[nH+]c1[C@@H]1CCCN(c2cc[nH+]c(N)n2)C1 ZINC000091943303 193130095 /nfs/dbraw/zinc/13/00/95/193130095.db2.gz MRAYTDLEOTXSDU-GFCCVEGCSA-N 2 2 302.382 1.286 50 0 DDAALP Cn1ncc2c1nc[nH+]c2N1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000097200881 407286522 /nfs/dbraw/zinc/28/65/22/407286522.db2.gz ZGOSNDFSRKLYDL-GFCCVEGCSA-N 2 2 309.377 1.697 50 0 DDAALP [NH3+]C1(C(=O)NCC[C@@H]2C[N@H+](Cc3ccco3)CCO2)CCCC1 ZINC000067894269 407288863 /nfs/dbraw/zinc/28/88/63/407288863.db2.gz AXRGDNUSUNRBFI-OAHLLOKOSA-N 2 2 321.421 1.258 50 0 DDAALP [NH3+]C1(C(=O)NCC[C@@H]2C[N@@H+](Cc3ccco3)CCO2)CCCC1 ZINC000067894269 407288864 /nfs/dbraw/zinc/28/88/64/407288864.db2.gz AXRGDNUSUNRBFI-OAHLLOKOSA-N 2 2 321.421 1.258 50 0 DDAALP Cc1[nH+]ccn1CCNC(=O)[C@@H](c1ccccc1C)[NH+](C)C ZINC000220042682 407538544 /nfs/dbraw/zinc/53/85/44/407538544.db2.gz OBLXYKVMYJATCV-MRXNPFEDSA-N 2 2 300.406 1.919 50 0 DDAALP CSCC1CCN(c2cc([C@H]3C[C@@H]([NH3+])C3)[nH+]c(N)n2)CC1 ZINC000244874701 407940882 /nfs/dbraw/zinc/94/08/82/407940882.db2.gz XFWKNUYIRBVNSM-TXEJJXNPSA-N 2 2 307.467 1.843 50 0 DDAALP O=C(CC[N@@H+]1CCc2[nH+]c[nH]c2C1)Nc1nnc(C2CC2)s1 ZINC000252495567 408800882 /nfs/dbraw/zinc/80/08/82/408800882.db2.gz OTRXERVQUNVJLM-UHFFFAOYSA-N 2 2 318.406 1.526 50 0 DDAALP O=C(CC[N@H+]1CCc2[nH+]c[nH]c2C1)Nc1nnc(C2CC2)s1 ZINC000252495567 408800884 /nfs/dbraw/zinc/80/08/84/408800884.db2.gz OTRXERVQUNVJLM-UHFFFAOYSA-N 2 2 318.406 1.526 50 0 DDAALP Cc1c[nH]c([C@H](C)NC(=O)c2ccc(OCCC[NH3+])cc2)[nH+]1 ZINC000299797360 410635620 /nfs/dbraw/zinc/63/56/20/410635620.db2.gz NSOFSPBVZRACRG-LBPRGKRZSA-N 2 2 302.378 1.937 50 0 DDAALP Cc1[nH+]ccn1CCN(C)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000534640127 334311089 /nfs/dbraw/zinc/31/10/89/334311089.db2.gz CDNRESBWYRICGI-AWEZNQCLSA-N 2 2 319.409 1.729 50 0 DDAALP CN(CCn1cc[nH+]c1)C(=O)C[N@H+](C)Cc1ccc(F)cc1 ZINC000223582179 484154932 /nfs/dbraw/zinc/15/49/32/484154932.db2.gz IXYOVDLMHOEIIL-UHFFFAOYSA-N 2 2 304.369 1.613 50 0 DDAALP CN(CCn1cc[nH+]c1)C(=O)C[N@@H+](C)Cc1ccc(F)cc1 ZINC000223582179 484154939 /nfs/dbraw/zinc/15/49/39/484154939.db2.gz IXYOVDLMHOEIIL-UHFFFAOYSA-N 2 2 304.369 1.613 50 0 DDAALP [NH3+]CC[N@@H+]1CC[C@@H]2[C@@H](CCC(=O)N2CCc2cccs2)C1 ZINC000072478353 696393967 /nfs/dbraw/zinc/39/39/67/696393967.db2.gz JTAMUYPLLXYYJQ-DZGCQCFKSA-N 2 2 307.463 1.562 50 0 DDAALP [NH3+]CC[N@H+]1CC[C@@H]2[C@@H](CCC(=O)N2CCc2cccs2)C1 ZINC000072478353 696393969 /nfs/dbraw/zinc/39/39/69/696393969.db2.gz JTAMUYPLLXYYJQ-DZGCQCFKSA-N 2 2 307.463 1.562 50 0 DDAALP Nc1nc(NCc2cn3ccccc3[nH+]2)cc(C2CC(O)C2)[nH+]1 ZINC000222671241 539265685 /nfs/dbraw/zinc/26/56/85/539265685.db2.gz XBMSWYYYIBQYND-UHFFFAOYSA-N 2 2 310.361 1.557 50 0 DDAALP OC[C@@H]1CCCN1c1cc(N2CC[C@H]([NH+]3CCCC3)C2)nc[nH+]1 ZINC000072276266 191098165 /nfs/dbraw/zinc/09/81/65/191098165.db2.gz IKLDRJATFVFKNK-GJZGRUSLSA-N 2 2 317.437 1.112 50 0 DDAALP C[N@H+](CC(=O)N[C@H]1CCc2ccccc2C1)C1CC[NH+](C)CC1 ZINC000230526089 354327461 /nfs/dbraw/zinc/32/74/61/354327461.db2.gz UOZWOBYHVUNGTM-KRWDZBQOSA-N 2 2 315.461 1.686 50 0 DDAALP C[N@@H+](CC(=O)N[C@H]1CCc2ccccc2C1)C1CC[NH+](C)CC1 ZINC000230526089 354327466 /nfs/dbraw/zinc/32/74/66/354327466.db2.gz UOZWOBYHVUNGTM-KRWDZBQOSA-N 2 2 315.461 1.686 50 0 DDAALP COc1cccc(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c1OC ZINC000093664708 193286412 /nfs/dbraw/zinc/28/64/12/193286412.db2.gz OQDVGRQAUFOXJH-HNNXBMFYSA-N 2 2 320.433 1.858 50 0 DDAALP COc1cccc(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c1OC ZINC000093664708 193286414 /nfs/dbraw/zinc/28/64/14/193286414.db2.gz OQDVGRQAUFOXJH-HNNXBMFYSA-N 2 2 320.433 1.858 50 0 DDAALP C[NH+]1CCN(c2nc(-c3ccccc3)nc(-n3cc[nH+]c3)n2)CC1 ZINC000000108836 406620633 /nfs/dbraw/zinc/62/06/33/406620633.db2.gz PBLKODXHEUYMSH-UHFFFAOYSA-N 2 2 321.388 1.476 50 0 DDAALP Cc1cccc(C)c1OC1CN(C(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)C1 ZINC000071589422 406840656 /nfs/dbraw/zinc/84/06/56/406840656.db2.gz WLNJHSVHHWTYLJ-HNNXBMFYSA-N 2 2 314.389 1.186 50 0 DDAALP CN(C(=O)NCC(F)(F)F)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000071908629 406867012 /nfs/dbraw/zinc/86/70/12/406867012.db2.gz RKIFQKVLWDNNPL-GFCCVEGCSA-N 2 2 322.375 1.359 50 0 DDAALP CN(C(=O)NCC(F)(F)F)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000071908629 406867015 /nfs/dbraw/zinc/86/70/15/406867015.db2.gz RKIFQKVLWDNNPL-GFCCVEGCSA-N 2 2 322.375 1.359 50 0 DDAALP C[C@@H](Cn1cc[nH+]c1)NC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000072960824 406887050 /nfs/dbraw/zinc/88/70/50/406887050.db2.gz QAGNFMPYXLRZBP-HNNXBMFYSA-N 2 2 320.437 1.423 50 0 DDAALP Cc1cccc(NC[C@@H]2CCN(c3cc[nH+]cc3C(N)=O)C2)[nH+]1 ZINC000095997112 407222415 /nfs/dbraw/zinc/22/24/15/407222415.db2.gz FTYHSRBITCWMEN-ZDUSSCGKSA-N 2 2 311.389 1.822 50 0 DDAALP COC(=O)c1cc(C[NH2+][C@@H]2CCc3[nH+]c(C)cn3C2)oc1C ZINC000097034406 407276241 /nfs/dbraw/zinc/27/62/41/407276241.db2.gz GGFAHXBZARIGRX-GFCCVEGCSA-N 2 2 303.362 1.984 50 0 DDAALP COC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000225397144 407582272 /nfs/dbraw/zinc/58/22/72/407582272.db2.gz WAFSDMXKRFPDPB-KBPBESRZSA-N 2 2 300.362 1.699 50 0 DDAALP COC(=O)N1CC[C@H]([NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000252477898 408795079 /nfs/dbraw/zinc/79/50/79/408795079.db2.gz XJWXFQZDYYRPTQ-PVAVHDDUSA-N 2 2 317.433 1.937 50 0 DDAALP COC(=O)N1CC[C@H]([NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000252477898 408795083 /nfs/dbraw/zinc/79/50/83/408795083.db2.gz XJWXFQZDYYRPTQ-PVAVHDDUSA-N 2 2 317.433 1.937 50 0 DDAALP Cn1cc[nH+]c1CN(c1cc([C@H]2CCOC2)[nH+]c(N)n1)C1CC1 ZINC000299760765 410612497 /nfs/dbraw/zinc/61/24/97/410612497.db2.gz JWHSDAXDCHKSIO-NSHDSACASA-N 2 2 314.393 1.465 50 0 DDAALP CCn1c[nH+]cc1CNC(=O)c1ccc(OCCC[NH3+])cc1 ZINC000299795616 410634186 /nfs/dbraw/zinc/63/41/86/410634186.db2.gz KZQKGINPMREOKO-UHFFFAOYSA-N 2 2 302.378 1.561 50 0 DDAALP C[N@@H+]1CCC[C@@](O)(C[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000046087411 418444851 /nfs/dbraw/zinc/44/48/51/418444851.db2.gz UDVNNKZCOYQKFI-KRWDZBQOSA-N 2 2 307.413 1.404 50 0 DDAALP C[N@H+]1CCC[C@@](O)(C[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000046087411 418444855 /nfs/dbraw/zinc/44/48/55/418444855.db2.gz UDVNNKZCOYQKFI-KRWDZBQOSA-N 2 2 307.413 1.404 50 0 DDAALP COc1ccc(C(=O)N[C@@H]2CCC[N@@H+](C3CC[NH+](C)CC3)C2)o1 ZINC000012076355 696048860 /nfs/dbraw/zinc/04/88/60/696048860.db2.gz BXVLFIJYRSRGAW-CYBMUJFWSA-N 2 2 321.421 1.577 50 0 DDAALP COc1ccc(C(=O)N[C@@H]2CCC[N@H+](C3CC[NH+](C)CC3)C2)o1 ZINC000012076355 696048862 /nfs/dbraw/zinc/04/88/62/696048862.db2.gz BXVLFIJYRSRGAW-CYBMUJFWSA-N 2 2 321.421 1.577 50 0 DDAALP C[NH+](C)C[C@@]1(O)CCN(Cc2c[nH+]cn2C2CCCCC2)C1 ZINC000072131847 696393337 /nfs/dbraw/zinc/39/33/37/696393337.db2.gz SWXARVHGBGSBFM-KRWDZBQOSA-N 2 2 306.454 1.887 50 0 DDAALP C[N@H+](C[C@@H](O)C[NH+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1)C1CC1 ZINC000328167874 698745839 /nfs/dbraw/zinc/74/58/39/698745839.db2.gz JHMKVBLQGZCYBU-NXHRZFHOSA-N 3 2 303.450 1.116 50 0 DDAALP C[N@@H+](C[C@@H](O)C[NH+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1)C1CC1 ZINC000328167874 698745841 /nfs/dbraw/zinc/74/58/41/698745841.db2.gz JHMKVBLQGZCYBU-NXHRZFHOSA-N 3 2 303.450 1.116 50 0 DDAALP C[NH+](C[C@@H](O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1)C1CC1 ZINC000328167874 698745845 /nfs/dbraw/zinc/74/58/45/698745845.db2.gz JHMKVBLQGZCYBU-NXHRZFHOSA-N 3 2 303.450 1.116 50 0 DDAALP C[NH+](C[C@@H](O)C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1)C1CC1 ZINC000328167874 698745847 /nfs/dbraw/zinc/74/58/47/698745847.db2.gz JHMKVBLQGZCYBU-NXHRZFHOSA-N 3 2 303.450 1.116 50 0 DDAALP COc1ncc(C[N@@H+]2CCC[C@H](Cn3cc[nH+]c3C)C2)cn1 ZINC000824851747 759211283 /nfs/dbraw/zinc/21/12/83/759211283.db2.gz CBVJAOCEMJAFBQ-AWEZNQCLSA-N 2 2 301.394 1.902 50 0 DDAALP COc1ncc(C[N@H+]2CCC[C@H](Cn3cc[nH+]c3C)C2)cn1 ZINC000824851747 759211288 /nfs/dbraw/zinc/21/12/88/759211288.db2.gz CBVJAOCEMJAFBQ-AWEZNQCLSA-N 2 2 301.394 1.902 50 0 DDAALP Cc1n[nH]c(C)c1[C@@H]([NH3+])C(=O)NCC1(Cn2cc[nH+]c2C)CC1 ZINC000091695295 193092520 /nfs/dbraw/zinc/09/25/20/193092520.db2.gz KKMSQMNLNVBDNR-CQSZACIVSA-N 2 2 316.409 1.128 50 0 DDAALP Cc1[nH+]cc(C[NH2+][C@H]2CC(=O)N(Cc3cccc(F)c3)C2)n1C ZINC000011820319 406830257 /nfs/dbraw/zinc/83/02/57/406830257.db2.gz OWPAYNOGIXPKFE-HNNXBMFYSA-N 2 2 316.380 1.758 50 0 DDAALP C[C@H]1C[NH+]=C(N2CC[NH+](C[C@H](O)c3ccccc3)CC2)S1 ZINC000079496564 407056116 /nfs/dbraw/zinc/05/61/16/407056116.db2.gz CSTYDQFTPPGBGT-ZFWWWQNUSA-N 2 2 305.447 1.829 50 0 DDAALP O=C([C@H]1CCC[N@H+](Cc2ccco2)C1)N1CCc2[nH+]c[nH]c2C1 ZINC000095353466 407208505 /nfs/dbraw/zinc/20/85/05/407208505.db2.gz HCEBKYXGPDIQJM-ZDUSSCGKSA-N 2 2 314.389 1.800 50 0 DDAALP O=C([C@H]1CCC[N@@H+](Cc2ccco2)C1)N1CCc2[nH+]c[nH]c2C1 ZINC000095353466 407208506 /nfs/dbraw/zinc/20/85/06/407208506.db2.gz HCEBKYXGPDIQJM-ZDUSSCGKSA-N 2 2 314.389 1.800 50 0 DDAALP O=C([C@@H]1CCC[N@@H+](C2CCOCC2)C1)N1CCc2[nH+]c[nH]c2C1 ZINC000096150185 407240924 /nfs/dbraw/zinc/24/09/24/407240924.db2.gz TVRWVZOGVSDSQZ-CYBMUJFWSA-N 2 2 318.421 1.185 50 0 DDAALP O=C([C@@H]1CCC[N@H+](C2CCOCC2)C1)N1CCc2[nH+]c[nH]c2C1 ZINC000096150185 407240925 /nfs/dbraw/zinc/24/09/25/407240925.db2.gz TVRWVZOGVSDSQZ-CYBMUJFWSA-N 2 2 318.421 1.185 50 0 DDAALP C[C@H](C(=O)NCc1c[nH+]c(N(C)C)n1C)[NH+]1CCCCCC1 ZINC000096436527 407265528 /nfs/dbraw/zinc/26/55/28/407265528.db2.gz CDHACTXFWALJBJ-CYBMUJFWSA-N 2 2 307.442 1.367 50 0 DDAALP c1ccc(OCC[NH+]2CCOCC2)c(C[NH2+][C@H]2CCSC2)c1 ZINC000096476744 407270489 /nfs/dbraw/zinc/27/04/89/407270489.db2.gz SIGQJAIJGVMDIY-INIZCTEOSA-N 2 2 322.474 1.993 50 0 DDAALP O=c1oc2ccccc2n1CC[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000067458452 407273706 /nfs/dbraw/zinc/27/37/06/407273706.db2.gz NPVPAMKHMXXQBP-KRWDZBQOSA-N 2 2 301.390 1.670 50 0 DDAALP O=c1oc2ccccc2n1CC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000067458452 407273707 /nfs/dbraw/zinc/27/37/07/407273707.db2.gz NPVPAMKHMXXQBP-KRWDZBQOSA-N 2 2 301.390 1.670 50 0 DDAALP Cc1ncc(CO)c(C[N@@H+]2CCC[C@@H](Cn3cc[nH+]c3)C2)c1O ZINC000067841308 407286399 /nfs/dbraw/zinc/28/63/99/407286399.db2.gz OKNFGPIOZRQNDF-CQSZACIVSA-N 2 2 316.405 1.697 50 0 DDAALP Cc1ncc(CO)c(C[N@H+]2CCC[C@@H](Cn3cc[nH+]c3)C2)c1O ZINC000067841308 407286401 /nfs/dbraw/zinc/28/64/01/407286401.db2.gz OKNFGPIOZRQNDF-CQSZACIVSA-N 2 2 316.405 1.697 50 0 DDAALP NC(=O)[C@@H]1C[N@H+](Cc2ccc(C[NH+]3CCCC3)s2)CCO1 ZINC000097243756 407288948 /nfs/dbraw/zinc/28/89/48/407288948.db2.gz SYLFAKBZNWLKCC-AWEZNQCLSA-N 2 2 309.435 1.030 50 0 DDAALP NC(=O)[C@@H]1C[N@@H+](Cc2ccc(C[NH+]3CCCC3)s2)CCO1 ZINC000097243756 407288950 /nfs/dbraw/zinc/28/89/50/407288950.db2.gz SYLFAKBZNWLKCC-AWEZNQCLSA-N 2 2 309.435 1.030 50 0 DDAALP CN(C)c1[nH+]cc(C[NH2+][C@@H]2CCCN(c3cccnn3)C2)n1C ZINC000253425286 407444551 /nfs/dbraw/zinc/44/45/51/407444551.db2.gz RWLKGFHMYWQAMZ-CYBMUJFWSA-N 2 2 315.425 1.035 50 0 DDAALP CC[C@@H]([NH3+])C(=O)N1CC[NH+](CCc2ccc(OC)cc2)CC1 ZINC000225490182 407590492 /nfs/dbraw/zinc/59/04/92/407590492.db2.gz PRSVTYXNOIPSIJ-MRXNPFEDSA-N 2 2 305.422 1.119 50 0 DDAALP Cc1c[nH+]ccc1NC(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000133346033 407831518 /nfs/dbraw/zinc/83/15/18/407831518.db2.gz DJQVGXWYMBNKPX-AWEZNQCLSA-N 2 2 304.394 1.576 50 0 DDAALP C[N@@H+]1CCC[C@](O)(C[NH+]2CCN(c3ccccc3Cl)CC2)C1 ZINC000046087338 418443773 /nfs/dbraw/zinc/44/37/73/418443773.db2.gz PGGAEPPWHFJWHW-QGZVFWFLSA-N 2 2 323.868 1.919 50 0 DDAALP C[N@H+]1CCC[C@](O)(C[NH+]2CCN(c3ccccc3Cl)CC2)C1 ZINC000046087338 418443778 /nfs/dbraw/zinc/44/37/78/418443778.db2.gz PGGAEPPWHFJWHW-QGZVFWFLSA-N 2 2 323.868 1.919 50 0 DDAALP c1cn(CC[NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCO3)c[nH+]1 ZINC000048275530 418468567 /nfs/dbraw/zinc/46/85/67/418468567.db2.gz SCLWUVSZPYNXAH-UHFFFAOYSA-N 2 2 311.345 1.792 50 0 DDAALP COCC[NH+]1CCN(c2cc([C@@H]3CCOC3)[nH+]c(C)n2)CC1 ZINC000426369161 419451216 /nfs/dbraw/zinc/45/12/16/419451216.db2.gz INLADSBSFZIDKF-CQSZACIVSA-N 2 2 306.410 1.057 50 0 DDAALP C[NH+](C)[C@H](C[NH2+]C[C@H]1CNc2ccnn2C1)Cc1ccccc1 ZINC000058356152 276865329 /nfs/dbraw/zinc/86/53/29/276865329.db2.gz UTTOJRAVZULPKR-IRXDYDNUSA-N 2 2 313.449 1.687 50 0 DDAALP CCc1[nH+]ccn1CCC(=O)N1CCC[C@H](Cn2cc[nH+]c2)C1 ZINC000823557572 758329612 /nfs/dbraw/zinc/32/96/12/758329612.db2.gz VGBYHPIPJQXCQA-OAHLLOKOSA-N 2 2 315.421 1.971 50 0 DDAALP C([NH2+]C1CC[NH+](CC2CC2)CC1)c1nnc2n1CCCCC2 ZINC000095419383 185359741 /nfs/dbraw/zinc/35/97/41/185359741.db2.gz SVJIDGGFMBSFJM-UHFFFAOYSA-N 2 2 303.454 1.969 50 0 DDAALP c1cn(C[C@@H]2CCC[N@H+](Cc3cc4n(n3)CCC[NH2+]C4)C2)c[nH+]1 ZINC000072146793 191053324 /nfs/dbraw/zinc/05/33/24/191053324.db2.gz PGIXSXGSURLFAO-OAHLLOKOSA-N 3 2 314.437 1.485 50 0 DDAALP c1cn(C[C@@H]2CCC[N@@H+](Cc3cc4n(n3)CCC[NH2+]C4)C2)c[nH+]1 ZINC000072146793 191053325 /nfs/dbraw/zinc/05/33/25/191053325.db2.gz PGIXSXGSURLFAO-OAHLLOKOSA-N 3 2 314.437 1.485 50 0 DDAALP CC[NH+]1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccsc3)CCO2)CC1 ZINC000072421295 191158270 /nfs/dbraw/zinc/15/82/70/191158270.db2.gz CHUZOVURWIZHNS-HNNXBMFYSA-N 2 2 323.462 1.113 50 0 DDAALP CC[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccsc3)CCO2)CC1 ZINC000072421295 191158271 /nfs/dbraw/zinc/15/82/71/191158271.db2.gz CHUZOVURWIZHNS-HNNXBMFYSA-N 2 2 323.462 1.113 50 0 DDAALP Cc1nn(C)c2nc[nH+]c(N(C)C[C@@H](C)C[NH+]3CCCC3)c12 ZINC000072428642 191161992 /nfs/dbraw/zinc/16/19/92/191161992.db2.gz UTRVBJIOHGXJEF-GFCCVEGCSA-N 2 2 302.426 1.840 50 0 DDAALP C[NH+](C)CCN(C(=O)[C@H]1CCn2cc[nH+]c2C1)C1CCCC1 ZINC000092125004 193166255 /nfs/dbraw/zinc/16/62/55/193166255.db2.gz ZRPJLRMHBMQVDZ-AWEZNQCLSA-N 2 2 304.438 1.778 50 0 DDAALP Cc1ccoc1C(=O)N[C@@H]1CCC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000011944637 406834003 /nfs/dbraw/zinc/83/40/03/406834003.db2.gz ILFDCPKZBDJMOJ-CQSZACIVSA-N 2 2 305.422 1.876 50 0 DDAALP Cc1ccoc1C(=O)N[C@@H]1CCC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000011944637 406834004 /nfs/dbraw/zinc/83/40/04/406834004.db2.gz ILFDCPKZBDJMOJ-CQSZACIVSA-N 2 2 305.422 1.876 50 0 DDAALP O=C(c1ccc(-n2cc[nH+]c2)nc1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000071839809 406851645 /nfs/dbraw/zinc/85/16/45/406851645.db2.gz WSOBNXZUCMQPPU-HNNXBMFYSA-N 2 2 311.389 1.578 50 0 DDAALP O=C(c1ccc(-n2cc[nH+]c2)nc1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000071839809 406851649 /nfs/dbraw/zinc/85/16/49/406851649.db2.gz WSOBNXZUCMQPPU-HNNXBMFYSA-N 2 2 311.389 1.578 50 0 DDAALP CC(C)(C[NH2+]CC(C)(C)N1CCOCC1)C[NH+]1CCOCC1 ZINC000032587284 406950361 /nfs/dbraw/zinc/95/03/61/406950361.db2.gz YVQCQVZGWRNVGU-UHFFFAOYSA-N 2 2 313.486 1.045 50 0 DDAALP Cc1[nH+]c[nH]c1CN1CC[NH+](Cc2ccccc2CO)CC1 ZINC000097546447 407298988 /nfs/dbraw/zinc/29/89/88/407298988.db2.gz XCJKSNGEMMHLLP-UHFFFAOYSA-N 2 2 300.406 1.528 50 0 DDAALP C[C@]1(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)CCC[NH2+]1 ZINC000097638021 407301360 /nfs/dbraw/zinc/30/13/60/407301360.db2.gz UOWSTUKPJMEYDX-NTPDMAOXSA-N 2 2 313.445 1.986 50 0 DDAALP CCn1ncnc1C[NH+]1CCC([C@H](C)[NH+]2CCOCC2)CC1 ZINC000215570610 407486193 /nfs/dbraw/zinc/48/61/93/407486193.db2.gz LEEBSXNFLCOLJR-AWEZNQCLSA-N 2 2 307.442 1.231 50 0 DDAALP c1[nH]nc2cc(C[N@H+]3CC[C@@H](C[NH+]4CCOCC4)C3)ccc12 ZINC000130988984 407716342 /nfs/dbraw/zinc/71/63/42/407716342.db2.gz XRIITAXIPQLSAD-HNNXBMFYSA-N 2 2 300.406 1.717 50 0 DDAALP c1[nH]nc2cc(C[N@@H+]3CC[C@@H](C[NH+]4CCOCC4)C3)ccc12 ZINC000130988984 407716348 /nfs/dbraw/zinc/71/63/48/407716348.db2.gz XRIITAXIPQLSAD-HNNXBMFYSA-N 2 2 300.406 1.717 50 0 DDAALP CN(Cc1c[nH+]c2ccccn12)c1cc([C@H]2C[C@@H]([NH3+])C2)nc(N)n1 ZINC000244673537 407931214 /nfs/dbraw/zinc/93/12/14/407931214.db2.gz HQVAPQWOZHFFRZ-TXEJJXNPSA-N 2 2 323.404 1.548 50 0 DDAALP Cc1[nH+]cn(CCNc2cc([C@H]3C[C@@H](O)C3)[nH+]c(N)n2)c1C ZINC000244763935 407936933 /nfs/dbraw/zinc/93/69/33/407936933.db2.gz OYDBQZRFDVTPMI-TXEJJXNPSA-N 2 2 302.382 1.223 50 0 DDAALP Cc1nc(C[N@@H+]2CCCN(C(=O)[C@H]([NH3+])C3CCC3)CC2)cs1 ZINC000333248341 410442698 /nfs/dbraw/zinc/44/26/98/410442698.db2.gz GECGQRADMWFXDF-OAHLLOKOSA-N 2 2 322.478 1.613 50 0 DDAALP Cc1nc(C[N@H+]2CCCN(C(=O)[C@H]([NH3+])C3CCC3)CC2)cs1 ZINC000333248341 410442703 /nfs/dbraw/zinc/44/27/03/410442703.db2.gz GECGQRADMWFXDF-OAHLLOKOSA-N 2 2 322.478 1.613 50 0 DDAALP Cc1nc(NCCCC[NH+]2CCCC2)cc([C@@H]2CCOC2)[nH+]1 ZINC000426612693 419515752 /nfs/dbraw/zinc/51/57/52/419515752.db2.gz WBJSAZVKVCPNCI-OAHLLOKOSA-N 2 2 304.438 2.577 50 0 DDAALP COCC[NH+]1[C@H](C)CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1C ZINC000095434644 277531116 /nfs/dbraw/zinc/53/11/16/277531116.db2.gz COJADGMKOZRYQN-RBSFLKMASA-N 2 2 320.437 1.013 50 0 DDAALP Cc1nc2ccccc2n1CC[NH2+][C@@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC000888102160 709214233 /nfs/dbraw/zinc/21/42/33/709214233.db2.gz DVJLKISVFFDBAB-KSSFIOAISA-N 2 2 315.465 1.569 50 0 DDAALP Cc1nc2ccccc2n1CC[NH2+][C@@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC000888102160 709214237 /nfs/dbraw/zinc/21/42/37/709214237.db2.gz DVJLKISVFFDBAB-KSSFIOAISA-N 2 2 315.465 1.569 50 0 DDAALP C[C@](O)(C[NH3+])C[NH+]1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000952876981 775626643 /nfs/dbraw/zinc/62/66/43/775626643.db2.gz JUIQVTYPRQPKGO-INIZCTEOSA-N 2 2 304.394 1.089 50 0 DDAALP Cc1[nH+]ccn1-c1cc(NCCNC(=O)CC(C)C)[nH+]cn1 ZINC000077128472 185111686 /nfs/dbraw/zinc/11/16/86/185111686.db2.gz ZNQSAHFJWGFQTK-UHFFFAOYSA-N 2 2 302.382 1.545 50 0 DDAALP C[C@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)c1ccccn1 ZINC000097015904 185397552 /nfs/dbraw/zinc/39/75/52/185397552.db2.gz OWEJJBBRQPSWIM-AWEZNQCLSA-N 2 2 312.421 1.474 50 0 DDAALP C[C@@H]1CN(C(=O)c2ccc(Cn3cc[nH+]c3)o2)C[C@H]1[NH+](C)C ZINC000076056696 353394788 /nfs/dbraw/zinc/39/47/88/353394788.db2.gz CTAUVSVKVNEQNJ-TZMCWYRMSA-N 2 2 302.378 1.547 50 0 DDAALP C[C@@H](C(=O)N1CCOCC1)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000097200479 353918278 /nfs/dbraw/zinc/91/82/78/353918278.db2.gz JNBQLXZHEADMFS-LSDHHAIUSA-N 2 2 318.421 1.063 50 0 DDAALP C[C@@H](C(=O)N1CCOCC1)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000097200479 353918279 /nfs/dbraw/zinc/91/82/79/353918279.db2.gz JNBQLXZHEADMFS-LSDHHAIUSA-N 2 2 318.421 1.063 50 0 DDAALP CN(C)C(=O)c1ccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)[nH]1 ZINC000188407777 200241499 /nfs/dbraw/zinc/24/14/99/200241499.db2.gz VIPASHIODDXLKK-AWEZNQCLSA-N 2 2 301.394 1.578 50 0 DDAALP CN(C)C(=O)c1ccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)[nH]1 ZINC000188407777 200241501 /nfs/dbraw/zinc/24/15/01/200241501.db2.gz VIPASHIODDXLKK-AWEZNQCLSA-N 2 2 301.394 1.578 50 0 DDAALP [NH3+][C@H]1CCC[C@@H]1C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000237855307 202371460 /nfs/dbraw/zinc/37/14/60/202371460.db2.gz VDPVERRDVGUOCZ-IRXDYDNUSA-N 2 2 317.433 1.262 50 0 DDAALP Cc1cc[nH+]c(NC[C@H]2CC[N@H+](Cc3nnnn3C3CC3)C2)c1 ZINC000097200772 193689000 /nfs/dbraw/zinc/68/90/00/193689000.db2.gz IJYKVTOPIHSBCO-CYBMUJFWSA-N 2 2 313.409 1.645 50 0 DDAALP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+](Cc3nnnn3C3CC3)C2)c1 ZINC000097200772 193689001 /nfs/dbraw/zinc/68/90/01/193689001.db2.gz IJYKVTOPIHSBCO-CYBMUJFWSA-N 2 2 313.409 1.645 50 0 DDAALP CC[C@@H](Nc1nc(N)[nH+]c2c1CC[NH2+]CC2)c1nccs1 ZINC000072408483 257270899 /nfs/dbraw/zinc/27/08/99/257270899.db2.gz WZVBDHDNCBBZMX-SNVBAGLBSA-N 2 2 304.423 1.767 50 0 DDAALP O=C1OCC[C@@H]1[NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000069518175 406727490 /nfs/dbraw/zinc/72/74/90/406727490.db2.gz MOZQQTBKMDBHNQ-IRXDYDNUSA-N 2 2 318.417 1.337 50 0 DDAALP Cn1c(C[N@H+](C)CCO)nnc1C1CC[NH+](C2CCCC2)CC1 ZINC000077537191 406995764 /nfs/dbraw/zinc/99/57/64/406995764.db2.gz VFAZNZBMRGNPAY-UHFFFAOYSA-N 2 2 321.469 1.361 50 0 DDAALP Cn1c(C[N@@H+](C)CCO)nnc1C1CC[NH+](C2CCCC2)CC1 ZINC000077537191 406995766 /nfs/dbraw/zinc/99/57/66/406995766.db2.gz VFAZNZBMRGNPAY-UHFFFAOYSA-N 2 2 321.469 1.361 50 0 DDAALP CC(C)C[N@@H+]1CCO[C@H](C[NH+]2CCC[C@H](c3cc[nH]n3)C2)C1 ZINC000089840195 407153375 /nfs/dbraw/zinc/15/33/75/407153375.db2.gz FWVCFYHZWSCPQO-JKSUJKDBSA-N 2 2 306.454 1.946 50 0 DDAALP CC(C)C[N@H+]1CCO[C@H](C[NH+]2CCC[C@H](c3cc[nH]n3)C2)C1 ZINC000089840195 407153378 /nfs/dbraw/zinc/15/33/78/407153378.db2.gz FWVCFYHZWSCPQO-JKSUJKDBSA-N 2 2 306.454 1.946 50 0 DDAALP CC(C)C[NH+]1CCO[C@H](C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)C1 ZINC000089840195 407153379 /nfs/dbraw/zinc/15/33/79/407153379.db2.gz FWVCFYHZWSCPQO-JKSUJKDBSA-N 2 2 306.454 1.946 50 0 DDAALP CC(C)C[NH+]1CCO[C@H](C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)C1 ZINC000089840195 407153381 /nfs/dbraw/zinc/15/33/81/407153381.db2.gz FWVCFYHZWSCPQO-JKSUJKDBSA-N 2 2 306.454 1.946 50 0 DDAALP O=C(NCCCn1cc[nH+]c1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000089884977 407155615 /nfs/dbraw/zinc/15/56/15/407155615.db2.gz OJSCMJBCGRLWJE-HNNXBMFYSA-N 2 2 315.377 1.531 50 0 DDAALP Cn1cc[nH+]c1C1CCN(C(=O)C[N@@H+]2C[C@@H]3CC[C@H]2C3)CC1 ZINC000091680709 407183078 /nfs/dbraw/zinc/18/30/78/407183078.db2.gz CRYVLBMZAVPGND-HIFRSBDPSA-N 2 2 302.422 1.610 50 0 DDAALP Cn1cc[nH+]c1C1CCN(C(=O)C[N@H+]2C[C@@H]3CC[C@H]2C3)CC1 ZINC000091680709 407183081 /nfs/dbraw/zinc/18/30/81/407183081.db2.gz CRYVLBMZAVPGND-HIFRSBDPSA-N 2 2 302.422 1.610 50 0 DDAALP Cc1cc(NC(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)cc[nH+]1 ZINC000095981937 407220382 /nfs/dbraw/zinc/22/03/82/407220382.db2.gz XZZALAXBOMWWPS-HNNXBMFYSA-N 2 2 306.410 1.868 50 0 DDAALP O=C([C@H]1CCC[N@@H+](C2CCOCC2)C1)N1CCc2[nH+]c[nH]c2C1 ZINC000096150186 407240583 /nfs/dbraw/zinc/24/05/83/407240583.db2.gz TVRWVZOGVSDSQZ-ZDUSSCGKSA-N 2 2 318.421 1.185 50 0 DDAALP O=C([C@H]1CCC[N@H+](C2CCOCC2)C1)N1CCc2[nH+]c[nH]c2C1 ZINC000096150186 407240585 /nfs/dbraw/zinc/24/05/85/407240585.db2.gz TVRWVZOGVSDSQZ-ZDUSSCGKSA-N 2 2 318.421 1.185 50 0 DDAALP Cc1nc(CN2CC[NH+](CC(C)(C)C[NH+]3CCCC3)CC2)no1 ZINC000215096536 407480718 /nfs/dbraw/zinc/48/07/18/407480718.db2.gz DZHJJOGFBMAWOS-UHFFFAOYSA-N 2 2 321.469 1.618 50 0 DDAALP C[C@H](C[NH+]1CCCCCC1)Nc1cc(N2CCOCC2)[nH+]cn1 ZINC000225487151 407591003 /nfs/dbraw/zinc/59/10/03/407591003.db2.gz CNLKVEIIZLSFGA-OAHLLOKOSA-N 2 2 319.453 1.990 50 0 DDAALP CN(C[C@H]1CC[N@H+](C)C1(C)C)C(=O)C[NH+](C)Cc1ccccn1 ZINC000299766615 410615586 /nfs/dbraw/zinc/61/55/86/410615586.db2.gz KGEBFPZUPVHLIP-OAHLLOKOSA-N 2 2 318.465 1.702 50 0 DDAALP CN(C[C@H]1CC[N@@H+](C)C1(C)C)C(=O)C[NH+](C)Cc1ccccn1 ZINC000299766615 410615589 /nfs/dbraw/zinc/61/55/89/410615589.db2.gz KGEBFPZUPVHLIP-OAHLLOKOSA-N 2 2 318.465 1.702 50 0 DDAALP CN(C[C@H]1CC[NH+](C)C1(C)C)C(=O)C[N@H+](C)Cc1ccccn1 ZINC000299766615 410615594 /nfs/dbraw/zinc/61/55/94/410615594.db2.gz KGEBFPZUPVHLIP-OAHLLOKOSA-N 2 2 318.465 1.702 50 0 DDAALP CN(C[C@H]1CC[NH+](C)C1(C)C)C(=O)C[N@@H+](C)Cc1ccccn1 ZINC000299766615 410615598 /nfs/dbraw/zinc/61/55/98/410615598.db2.gz KGEBFPZUPVHLIP-OAHLLOKOSA-N 2 2 318.465 1.702 50 0 DDAALP CSCC[NH+]1CCN(C(=O)C[N@H+](C)Cc2cccnc2)CC1 ZINC000299791437 410630284 /nfs/dbraw/zinc/63/02/84/410630284.db2.gz GACDNNXYGWMCPR-UHFFFAOYSA-N 2 2 322.478 1.021 50 0 DDAALP CSCC[NH+]1CCN(C(=O)C[N@@H+](C)Cc2cccnc2)CC1 ZINC000299791437 410630291 /nfs/dbraw/zinc/63/02/91/410630291.db2.gz GACDNNXYGWMCPR-UHFFFAOYSA-N 2 2 322.478 1.021 50 0 DDAALP CC[N@H+](C[C@@H]1COc2ccccc2O1)C[C@]1(O)CCC[NH+](C)C1 ZINC000046087369 418445844 /nfs/dbraw/zinc/44/58/44/418445844.db2.gz WEYGMJAATYFTLO-QAPCUYQASA-N 2 2 320.433 1.605 50 0 DDAALP CC[N@@H+](C[C@@H]1COc2ccccc2O1)C[C@]1(O)CCC[NH+](C)C1 ZINC000046087369 418445847 /nfs/dbraw/zinc/44/58/47/418445847.db2.gz WEYGMJAATYFTLO-QAPCUYQASA-N 2 2 320.433 1.605 50 0 DDAALP CC[NH+](C[C@@H]1COc2ccccc2O1)C[C@]1(O)CCC[N@H+](C)C1 ZINC000046087369 418445848 /nfs/dbraw/zinc/44/58/48/418445848.db2.gz WEYGMJAATYFTLO-QAPCUYQASA-N 2 2 320.433 1.605 50 0 DDAALP CC[NH+](C[C@@H]1COc2ccccc2O1)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000046087369 418445851 /nfs/dbraw/zinc/44/58/51/418445851.db2.gz WEYGMJAATYFTLO-QAPCUYQASA-N 2 2 320.433 1.605 50 0 DDAALP C[NH+](C)C[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CNc2ccnn2C1 ZINC000058296094 276764526 /nfs/dbraw/zinc/76/45/26/276764526.db2.gz PBHCWQIBZUJFIH-IAGOWNOFSA-N 2 2 313.449 1.687 50 0 DDAALP C[N@@H+]1CCc2[nH]nc(C(=O)Nc3c[nH+]c4n3CCCC4)c2C1 ZINC000067689004 277188212 /nfs/dbraw/zinc/18/82/12/277188212.db2.gz MIMFXQKMNOMQCP-UHFFFAOYSA-N 2 2 300.366 1.183 50 0 DDAALP C[N@H+]1CCc2[nH]nc(C(=O)Nc3c[nH+]c4n3CCCC4)c2C1 ZINC000067689004 277188213 /nfs/dbraw/zinc/18/82/13/277188213.db2.gz MIMFXQKMNOMQCP-UHFFFAOYSA-N 2 2 300.366 1.183 50 0 DDAALP CCS(=O)(=O)NC[C@H](C)[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000534636302 334309292 /nfs/dbraw/zinc/30/92/92/334309292.db2.gz HJLZRRQPFGYKQK-LBPRGKRZSA-N 2 2 310.423 1.060 50 0 DDAALP Cc1ccc([C@@H](C)NC(=O)C[N@H+]2[C@@H]3CC[C@H]2[C@H]2C[NH2+]C[C@H]23)cc1 ZINC000534655276 334313698 /nfs/dbraw/zinc/31/36/98/334313698.db2.gz UDRNJKDBALJMJV-LHKMKVQPSA-N 2 2 313.445 1.854 50 0 DDAALP Cc1ccc([C@@H](C)NC(=O)C[N@@H+]2[C@@H]3CC[C@H]2[C@H]2C[NH2+]C[C@H]23)cc1 ZINC000534655276 334313700 /nfs/dbraw/zinc/31/37/00/334313700.db2.gz UDRNJKDBALJMJV-LHKMKVQPSA-N 2 2 313.445 1.854 50 0 DDAALP C[NH+](C)C1(CNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC1 ZINC000864094271 706065877 /nfs/dbraw/zinc/06/58/77/706065877.db2.gz OEDXLHNCIFHGSJ-UHFFFAOYSA-N 2 2 317.437 1.575 50 0 DDAALP CCOC(=O)[C@]12CCC[NH2+][C@@H]1CCN(Cc1[nH]c[nH+]c1C)C2 ZINC000072167006 191066567 /nfs/dbraw/zinc/06/65/67/191066567.db2.gz INOJCAHZNDCTOM-ZBFHGGJFSA-N 2 2 306.410 1.225 50 0 DDAALP CC[NH+]1CCC([N@@H+]2CCCN(Cc3nonc3C)CC2)CC1 ZINC000521394846 257240828 /nfs/dbraw/zinc/24/08/28/257240828.db2.gz PJNIEBFQEDCRKX-UHFFFAOYSA-N 2 2 307.442 1.370 50 0 DDAALP CC[NH+]1CCC([N@H+]2CCCN(Cc3nonc3C)CC2)CC1 ZINC000521394846 257240829 /nfs/dbraw/zinc/24/08/29/257240829.db2.gz PJNIEBFQEDCRKX-UHFFFAOYSA-N 2 2 307.442 1.370 50 0 DDAALP CC[NH+]1CCC(N2CCC[N@H+](Cc3nonc3C)CC2)CC1 ZINC000521394846 257240831 /nfs/dbraw/zinc/24/08/31/257240831.db2.gz PJNIEBFQEDCRKX-UHFFFAOYSA-N 2 2 307.442 1.370 50 0 DDAALP CC[NH+]1CCC(N2CCC[N@@H+](Cc3nonc3C)CC2)CC1 ZINC000521394846 257240832 /nfs/dbraw/zinc/24/08/32/257240832.db2.gz PJNIEBFQEDCRKX-UHFFFAOYSA-N 2 2 307.442 1.370 50 0 DDAALP C[NH+]1CCN(c2ncccc2C[NH2+]Cc2cccc(O)c2)CC1 ZINC000071850029 406852428 /nfs/dbraw/zinc/85/24/28/406852428.db2.gz CIIUEYVTROJJGZ-UHFFFAOYSA-N 2 2 312.417 1.829 50 0 DDAALP CCCn1cc[nH+]c1CN1CC[C@@](O)(C[NH+]2CCCCC2)C1 ZINC000077506080 406993829 /nfs/dbraw/zinc/99/38/29/406993829.db2.gz SSFMITTWLIBXAW-QGZVFWFLSA-N 2 2 306.454 1.716 50 0 DDAALP CCOc1ccc(C[N@H+](CCO)C2CC[NH+](C)CC2)cc1OC ZINC000089267898 407128748 /nfs/dbraw/zinc/12/87/48/407128748.db2.gz FDKJQJGPJQBPPC-UHFFFAOYSA-N 2 2 322.449 1.982 50 0 DDAALP CCOc1ccc(C[N@@H+](CCO)C2CC[NH+](C)CC2)cc1OC ZINC000089267898 407128750 /nfs/dbraw/zinc/12/87/50/407128750.db2.gz FDKJQJGPJQBPPC-UHFFFAOYSA-N 2 2 322.449 1.982 50 0 DDAALP C[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000089937864 407160067 /nfs/dbraw/zinc/16/00/67/407160067.db2.gz SPTCMLHJJXSZLU-HUUCEWRRSA-N 2 2 302.422 1.461 50 0 DDAALP C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000089937864 407160068 /nfs/dbraw/zinc/16/00/68/407160068.db2.gz SPTCMLHJJXSZLU-HUUCEWRRSA-N 2 2 302.422 1.461 50 0 DDAALP C[NH+](C)CCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)C(C)(C)[NH3+])C1 ZINC000095362968 407208767 /nfs/dbraw/zinc/20/87/67/407208767.db2.gz VIXUCYOCBWMNOJ-CQSZACIVSA-N 3 2 321.469 1.278 50 0 DDAALP [NH3+][C@H]1C[NH2+][C@H](C(=O)N(CCc2ccccc2)Cc2ccco2)C1 ZINC000067473129 407275184 /nfs/dbraw/zinc/27/51/84/407275184.db2.gz AZJYHSPNKMMBFS-WBVHZDCISA-N 2 2 313.401 1.540 50 0 DDAALP O[C@@H](C[NH2+]Cc1c[nH]nc1-c1cccnc1)C[NH+]1CCCCC1 ZINC000097160064 407283671 /nfs/dbraw/zinc/28/36/71/407283671.db2.gz MWZSQZAKNHIIMU-INIZCTEOSA-N 2 2 315.421 1.408 50 0 DDAALP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@H](O)C[NH+]2CCCCC2)o1 ZINC000097160062 407283873 /nfs/dbraw/zinc/28/38/73/407283873.db2.gz AXHKKCHQLDXYMR-HNNXBMFYSA-N 2 2 318.421 1.915 50 0 DDAALP C[C@@H](CCNC(=O)C[N@H+](C)Cc1ccncc1)n1cc[nH+]c1 ZINC000223780446 407572914 /nfs/dbraw/zinc/57/29/14/407572914.db2.gz USFXHOIFUHSGFP-AWEZNQCLSA-N 2 2 301.394 1.477 50 0 DDAALP C[C@@H](CCNC(=O)C[N@@H+](C)Cc1ccncc1)n1cc[nH+]c1 ZINC000223780446 407572920 /nfs/dbraw/zinc/57/29/20/407572920.db2.gz USFXHOIFUHSGFP-AWEZNQCLSA-N 2 2 301.394 1.477 50 0 DDAALP CCc1[nH+]ccn1CC[NH+]1CCN(c2nccc(OC)n2)CC1 ZINC000244594313 407926708 /nfs/dbraw/zinc/92/67/08/407926708.db2.gz DKUSBEACIHTYHC-UHFFFAOYSA-N 2 2 316.409 1.066 50 0 DDAALP CSc1ccc2c(c1)CC[N@@H+](CC(=O)N1CC[NH+](C)CC1)C2 ZINC000244873543 407941221 /nfs/dbraw/zinc/94/12/21/407941221.db2.gz WRXQIDSGLXUCPO-UHFFFAOYSA-N 2 2 319.474 1.541 50 0 DDAALP CSc1ccc2c(c1)CC[N@H+](CC(=O)N1CC[NH+](C)CC1)C2 ZINC000244873543 407941225 /nfs/dbraw/zinc/94/12/25/407941225.db2.gz WRXQIDSGLXUCPO-UHFFFAOYSA-N 2 2 319.474 1.541 50 0 DDAALP CC[C@H](NC(=O)c1cccc(OCC[NH3+])c1)c1[nH]cc(C)[nH+]1 ZINC000426438766 419473978 /nfs/dbraw/zinc/47/39/78/419473978.db2.gz DLHDGSMNXMXIEQ-AWEZNQCLSA-N 2 2 302.378 1.937 50 0 DDAALP CCCc1cncnc1N1CCC([NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000096164322 276056374 /nfs/dbraw/zinc/05/63/74/276056374.db2.gz LAZRDLXIFGNRAW-HOCLYGCPSA-N 2 2 321.444 1.688 50 0 DDAALP COc1c(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)c(C)nn1C ZINC000121787734 696715907 /nfs/dbraw/zinc/71/59/07/696715907.db2.gz CDIFQBJHXNLXOX-UHFFFAOYSA-N 2 2 317.437 1.925 50 0 DDAALP C[C@@H](C(=O)NC1CC[NH+](Cc2cccnc2)CC1)n1cc[nH+]c1 ZINC000426544934 699155693 /nfs/dbraw/zinc/15/56/93/699155693.db2.gz FYGWZZLBFWCMJH-AWEZNQCLSA-N 2 2 313.405 1.620 50 0 DDAALP CC(C)[C@@H](C(=O)N1CC[NH+](C[C@H](C)O)CC1)[NH+]1CCCCC1 ZINC000070011076 190849133 /nfs/dbraw/zinc/84/91/33/190849133.db2.gz WMLVPAGTLHSEKG-HOTGVXAUSA-N 2 2 311.470 1.022 50 0 DDAALP [NH3+]CC(=O)N1C[C@@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000071745253 191019433 /nfs/dbraw/zinc/01/94/33/191019433.db2.gz KENSSRKPDQLUMQ-JCURWCKSSA-N 2 2 321.371 1.312 50 0 DDAALP CC[N@H+](C[C@@H]1COc2ccccc2O1)C[C@@]1(O)CCC[NH+](C)C1 ZINC000105966375 194174836 /nfs/dbraw/zinc/17/48/36/194174836.db2.gz WEYGMJAATYFTLO-CRAIPNDOSA-N 2 2 320.433 1.605 50 0 DDAALP CC[N@@H+](C[C@@H]1COc2ccccc2O1)C[C@@]1(O)CCC[NH+](C)C1 ZINC000105966375 194174837 /nfs/dbraw/zinc/17/48/37/194174837.db2.gz WEYGMJAATYFTLO-CRAIPNDOSA-N 2 2 320.433 1.605 50 0 DDAALP CC[NH+](C[C@@H]1COc2ccccc2O1)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000105966375 194174838 /nfs/dbraw/zinc/17/48/38/194174838.db2.gz WEYGMJAATYFTLO-CRAIPNDOSA-N 2 2 320.433 1.605 50 0 DDAALP CC[NH+](C[C@@H]1COc2ccccc2O1)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000105966375 194174839 /nfs/dbraw/zinc/17/48/39/194174839.db2.gz WEYGMJAATYFTLO-CRAIPNDOSA-N 2 2 320.433 1.605 50 0 DDAALP Cc1cc(C)n(C2C[NH+](C[C@]3(O)CCC[N@@H+]4CCCC[C@@H]43)C2)n1 ZINC000063855918 184289840 /nfs/dbraw/zinc/28/98/40/184289840.db2.gz ZFMPELICRAWOSJ-QZTJIDSGSA-N 2 2 318.465 1.736 50 0 DDAALP Cc1cc(C)n(C2C[NH+](C[C@]3(O)CCC[N@H+]4CCCC[C@@H]43)C2)n1 ZINC000063855918 184289841 /nfs/dbraw/zinc/28/98/41/184289841.db2.gz ZFMPELICRAWOSJ-QZTJIDSGSA-N 2 2 318.465 1.736 50 0 DDAALP Cc1cc(NC(=O)C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)on1 ZINC000065565397 184367377 /nfs/dbraw/zinc/36/73/77/184367377.db2.gz MBDMCBSQIXUZDV-CYBMUJFWSA-N 2 2 315.377 1.751 50 0 DDAALP Cc1cc(NC(=O)C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)on1 ZINC000065565397 184367378 /nfs/dbraw/zinc/36/73/78/184367378.db2.gz MBDMCBSQIXUZDV-CYBMUJFWSA-N 2 2 315.377 1.751 50 0 DDAALP c1cc2n(n1)C[C@@H](C[NH2+]Cc1cccnc1-n1cc[nH+]c1)CN2 ZINC000069443048 406711842 /nfs/dbraw/zinc/71/18/42/406711842.db2.gz KBURKWALLVSOQL-ZDUSSCGKSA-N 2 2 309.377 1.295 50 0 DDAALP Cc1occc1C(=O)N[C@@H]1CCC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000012056732 406834054 /nfs/dbraw/zinc/83/40/54/406834054.db2.gz PCUGDSBOFUNVQB-CQSZACIVSA-N 2 2 305.422 1.876 50 0 DDAALP Cc1occc1C(=O)N[C@@H]1CCC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000012056732 406834055 /nfs/dbraw/zinc/83/40/55/406834055.db2.gz PCUGDSBOFUNVQB-CQSZACIVSA-N 2 2 305.422 1.876 50 0 DDAALP Cn1ncc(C[N@@H+]2CCC[C@@](O)(C[NH+]3CCCC3)C2)c1C1CC1 ZINC000077319144 406984563 /nfs/dbraw/zinc/98/45/63/406984563.db2.gz XVXTUYFTZGQTAG-GOSISDBHSA-N 2 2 318.465 1.720 50 0 DDAALP Cn1ncc(C[N@H+]2CCC[C@@](O)(C[NH+]3CCCC3)C2)c1C1CC1 ZINC000077319144 406984566 /nfs/dbraw/zinc/98/45/66/406984566.db2.gz XVXTUYFTZGQTAG-GOSISDBHSA-N 2 2 318.465 1.720 50 0 DDAALP C[C@H](C[NH3+])C(=O)NCc1ccc[nH+]c1N(C)Cc1ccccc1 ZINC000067713658 407281665 /nfs/dbraw/zinc/28/16/65/407281665.db2.gz IMXFOFLLEBDBNN-CQSZACIVSA-N 2 2 312.417 1.929 50 0 DDAALP COC(=O)c1cc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)ccc1O ZINC000067740695 407282249 /nfs/dbraw/zinc/28/22/49/407282249.db2.gz ASKDEUXKZLDRFC-QGZVFWFLSA-N 2 2 304.390 1.754 50 0 DDAALP COC(=O)c1cc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)ccc1O ZINC000067740695 407282252 /nfs/dbraw/zinc/28/22/52/407282252.db2.gz ASKDEUXKZLDRFC-QGZVFWFLSA-N 2 2 304.390 1.754 50 0 DDAALP C[C@@H]1CC[N@H+](CC(=O)Nc2nncs2)C[C@H]1n1cc[nH+]c1 ZINC000108152184 407382444 /nfs/dbraw/zinc/38/24/44/407382444.db2.gz ANBDWCPULNXNDH-GHMZBOCLSA-N 2 2 306.395 1.256 50 0 DDAALP C[C@@H]1CC[N@@H+](CC(=O)Nc2nncs2)C[C@H]1n1cc[nH+]c1 ZINC000108152184 407382445 /nfs/dbraw/zinc/38/24/45/407382445.db2.gz ANBDWCPULNXNDH-GHMZBOCLSA-N 2 2 306.395 1.256 50 0 DDAALP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000269300611 408260903 /nfs/dbraw/zinc/26/09/03/408260903.db2.gz QIKMHGHUFYVMPC-INMHGKMJSA-N 2 2 316.449 1.804 50 0 DDAALP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@@H](O)Cn2cccn2)C1 ZINC000247373062 408460167 /nfs/dbraw/zinc/46/01/67/408460167.db2.gz UYIZPMCCBHYZEC-HUUCEWRRSA-N 2 2 303.410 1.340 50 0 DDAALP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@@H](O)Cn2cccn2)C1 ZINC000247373062 408460172 /nfs/dbraw/zinc/46/01/72/408460172.db2.gz UYIZPMCCBHYZEC-HUUCEWRRSA-N 2 2 303.410 1.340 50 0 DDAALP COc1ccc(C[NH+]2CCN(C(=O)[C@@H]([NH3+])C(C)C)CC2)cc1F ZINC000163772728 408789830 /nfs/dbraw/zinc/78/98/30/408789830.db2.gz SWMRRNRZRMNNMT-INIZCTEOSA-N 2 2 323.412 1.462 50 0 DDAALP COc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cn1 ZINC000131637607 196186517 /nfs/dbraw/zinc/18/65/17/196186517.db2.gz XQLRFZSIBKNIPY-MRXNPFEDSA-N 2 2 305.422 1.634 50 0 DDAALP COc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cn1 ZINC000131637607 196186519 /nfs/dbraw/zinc/18/65/19/196186519.db2.gz XQLRFZSIBKNIPY-MRXNPFEDSA-N 2 2 305.422 1.634 50 0 DDAALP COCC[N@H+](C)C[C@H](O)C[NH+](C)CCCOc1ccccc1 ZINC000408518852 418806658 /nfs/dbraw/zinc/80/66/58/418806658.db2.gz FNDBDMGKARTKFE-MRXNPFEDSA-N 2 2 310.438 1.326 50 0 DDAALP COCC[N@@H+](C)C[C@H](O)C[NH+](C)CCCOc1ccccc1 ZINC000408518852 418806661 /nfs/dbraw/zinc/80/66/61/418806661.db2.gz FNDBDMGKARTKFE-MRXNPFEDSA-N 2 2 310.438 1.326 50 0 DDAALP COCC[NH+](C)C[C@H](O)C[N@H+](C)CCCOc1ccccc1 ZINC000408518852 418806663 /nfs/dbraw/zinc/80/66/63/418806663.db2.gz FNDBDMGKARTKFE-MRXNPFEDSA-N 2 2 310.438 1.326 50 0 DDAALP COCC[NH+](C)C[C@H](O)C[N@@H+](C)CCCOc1ccccc1 ZINC000408518852 418806665 /nfs/dbraw/zinc/80/66/65/418806665.db2.gz FNDBDMGKARTKFE-MRXNPFEDSA-N 2 2 310.438 1.326 50 0 DDAALP CC(C)C[NH2+]C1(CO)CC[NH+](C[C@@](C)(O)C(F)(F)F)CC1 ZINC000408524650 278918115 /nfs/dbraw/zinc/91/81/15/278918115.db2.gz XAZRLTUBNWOLSX-GFCCVEGCSA-N 2 2 312.376 1.372 50 0 DDAALP O=C(NCCc1[nH+]ccn1Cc1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000164384036 298212734 /nfs/dbraw/zinc/21/27/34/298212734.db2.gz BOTMULXBTJJCEO-INIZCTEOSA-N 2 2 312.417 1.732 50 0 DDAALP c1cnn(CCC[N@@H+]2CCCO[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000670451328 484838169 /nfs/dbraw/zinc/83/81/69/484838169.db2.gz CHFSDMKYTFOLPQ-QGZVFWFLSA-N 2 2 306.454 1.850 50 0 DDAALP c1cnn(CCC[N@H+]2CCCO[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000670451328 484838176 /nfs/dbraw/zinc/83/81/76/484838176.db2.gz CHFSDMKYTFOLPQ-QGZVFWFLSA-N 2 2 306.454 1.850 50 0 DDAALP Cn1cc([C@@H]2C[N@H+](C[C@@](C)(O)c3ccccc3)C[C@H]2[NH3+])cn1 ZINC000952876923 775626177 /nfs/dbraw/zinc/62/61/77/775626177.db2.gz IIOLHYMPBZPOFB-GVDBMIGSSA-N 2 2 300.406 1.054 50 0 DDAALP Cn1cc([C@@H]2C[N@@H+](C[C@@](C)(O)c3ccccc3)C[C@H]2[NH3+])cn1 ZINC000952876923 775626181 /nfs/dbraw/zinc/62/61/81/775626181.db2.gz IIOLHYMPBZPOFB-GVDBMIGSSA-N 2 2 300.406 1.054 50 0 DDAALP [NH3+][C@@H]1CC[N@H+](Cc2ccc(OCc3ccccn3)cc2)C[C@H]1O ZINC000082120584 192358205 /nfs/dbraw/zinc/35/82/05/192358205.db2.gz YACCGZDVNXVDMR-QZTJIDSGSA-N 2 2 313.401 1.555 50 0 DDAALP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccn3)cc2)C[C@H]1O ZINC000082120584 192358207 /nfs/dbraw/zinc/35/82/07/192358207.db2.gz YACCGZDVNXVDMR-QZTJIDSGSA-N 2 2 313.401 1.555 50 0 DDAALP C[C@H]1CN(C(=O)c2ccc(Cn3cc[nH+]c3)o2)C[C@H]1[NH+](C)C ZINC000076056700 353395012 /nfs/dbraw/zinc/39/50/12/353395012.db2.gz CTAUVSVKVNEQNJ-GXTWGEPZSA-N 2 2 302.378 1.547 50 0 DDAALP C[C@H]1CN(C(=O)C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)CCO1 ZINC000097200620 353917977 /nfs/dbraw/zinc/91/79/77/353917977.db2.gz IVJSZPTVXFZNIP-LSDHHAIUSA-N 2 2 318.421 1.063 50 0 DDAALP C[C@H]1CN(C(=O)C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)CCO1 ZINC000097200620 353917981 /nfs/dbraw/zinc/91/79/81/353917981.db2.gz IVJSZPTVXFZNIP-LSDHHAIUSA-N 2 2 318.421 1.063 50 0 DDAALP Cn1c[nH+]cc1/C=C/C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000585136459 354812858 /nfs/dbraw/zinc/81/28/58/354812858.db2.gz HDXMODXKTYPFGU-HWKANZROSA-N 2 2 300.337 1.857 50 0 DDAALP c1cc2n(n1)C[C@H](C[NH2+][C@H]1CC[N@H+](Cc3ccccc3)C1)CN2 ZINC000058308385 184103818 /nfs/dbraw/zinc/10/38/18/184103818.db2.gz GCXVQXUBPIXJIC-SJORKVTESA-N 2 2 311.433 1.789 50 0 DDAALP c1cc2n(n1)C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc3ccccc3)C1)CN2 ZINC000058308385 184103820 /nfs/dbraw/zinc/10/38/20/184103820.db2.gz GCXVQXUBPIXJIC-SJORKVTESA-N 2 2 311.433 1.789 50 0 DDAALP CC[NH+]1CCN(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)CC1 ZINC000065415589 184340860 /nfs/dbraw/zinc/34/08/60/184340860.db2.gz KBJPIFMJDJSAFO-UHFFFAOYSA-N 2 2 317.437 1.529 50 0 DDAALP CC(C)[C@@H](Cn1cc[nH+]c1)[NH2+]CC(=O)NCc1ccccc1F ZINC000065469393 184350811 /nfs/dbraw/zinc/35/08/11/184350811.db2.gz BXGZZQLKQHSFNO-MRXNPFEDSA-N 2 2 318.396 1.953 50 0 DDAALP C[C@@H]1CCC[N@H+](CCNC(=O)NCc2ccc(N(C)C)[nH+]c2)C1 ZINC000044969293 407036601 /nfs/dbraw/zinc/03/66/01/407036601.db2.gz AGHCHECSIBHJMM-CQSZACIVSA-N 2 2 319.453 1.679 50 0 DDAALP C[C@@H]1CCC[N@@H+](CCNC(=O)NCc2ccc(N(C)C)[nH+]c2)C1 ZINC000044969293 407036602 /nfs/dbraw/zinc/03/66/02/407036602.db2.gz AGHCHECSIBHJMM-CQSZACIVSA-N 2 2 319.453 1.679 50 0 DDAALP CC(=O)c1ccc(N2CC[NH+](C[C@]3(O)CCC[NH2+]C3)CC2)cc1 ZINC000077358378 406986633 /nfs/dbraw/zinc/98/66/33/406986633.db2.gz OCEOEDKSFNUOIW-SFHVURJKSA-N 2 2 317.433 1.126 50 0 DDAALP CC[N@@H+]1CCO[C@H](C(=O)NCCCNc2ccc(C)c[nH+]2)C1 ZINC000085383576 407100437 /nfs/dbraw/zinc/10/04/37/407100437.db2.gz MZTZEXLRIWCOTC-AWEZNQCLSA-N 2 2 306.410 1.029 50 0 DDAALP CC[N@H+]1CCO[C@H](C(=O)NCCCNc2ccc(C)c[nH+]2)C1 ZINC000085383576 407100440 /nfs/dbraw/zinc/10/04/40/407100440.db2.gz MZTZEXLRIWCOTC-AWEZNQCLSA-N 2 2 306.410 1.029 50 0 DDAALP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000047028714 407069161 /nfs/dbraw/zinc/06/91/61/407069161.db2.gz RKTVOCANMRPRIQ-AWEZNQCLSA-N 2 2 317.393 1.392 50 0 DDAALP COC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000225397185 407579617 /nfs/dbraw/zinc/57/96/17/407579617.db2.gz WAFSDMXKRFPDPB-ZIAGYGMSSA-N 2 2 300.362 1.699 50 0 DDAALP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000130390038 407683349 /nfs/dbraw/zinc/68/33/49/407683349.db2.gz KYEHTEKTRYWDAI-SFHVURJKSA-N 2 2 318.465 1.308 50 0 DDAALP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000130390038 407683354 /nfs/dbraw/zinc/68/33/54/407683354.db2.gz KYEHTEKTRYWDAI-SFHVURJKSA-N 2 2 318.465 1.308 50 0 DDAALP Cc1ccnc(C[C@H](C)[N@H+](C)CC(=O)N2CC[NH+](C)CC2)c1 ZINC000244633487 407928500 /nfs/dbraw/zinc/92/85/00/407928500.db2.gz GDWGBZXERIZAHP-HNNXBMFYSA-N 2 2 304.438 1.027 50 0 DDAALP Cc1ccnc(C[C@H](C)[N@@H+](C)CC(=O)N2CC[NH+](C)CC2)c1 ZINC000244633487 407928504 /nfs/dbraw/zinc/92/85/04/407928504.db2.gz GDWGBZXERIZAHP-HNNXBMFYSA-N 2 2 304.438 1.027 50 0 DDAALP Cc1ccc[nH+]c1NCCNC(=O)CC[C@@H](C)[NH+]1CCOCC1 ZINC000252508691 408801809 /nfs/dbraw/zinc/80/18/09/408801809.db2.gz XQXIQSSHPMLSCA-OAHLLOKOSA-N 2 2 320.437 1.419 50 0 DDAALP CSCC[C@H]([NH3+])C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000167150940 408816939 /nfs/dbraw/zinc/81/69/39/408816939.db2.gz BGSYYEMTFOUEQO-HNNXBMFYSA-N 2 2 323.462 1.117 50 0 DDAALP Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@]2(C)CCC[NH2+]C2)CC1 ZINC000237607168 163383526 /nfs/dbraw/zinc/38/35/26/163383526.db2.gz FPLUUNYOSGEKOK-QGZVFWFLSA-N 2 2 320.437 1.325 50 0 DDAALP Cc1[nH+]ccn1CCN(C)c1cc([C@@H]2CCOC2)[nH+]c(N)n1 ZINC000299790962 410632695 /nfs/dbraw/zinc/63/26/95/410632695.db2.gz DLFPRTLLSOFEHW-GFCCVEGCSA-N 2 2 302.382 1.204 50 0 DDAALP Cn1cc[nH+]c1[C@H](NC(=O)c1cccc(OCC[NH3+])c1)C1CC1 ZINC000426642911 419523392 /nfs/dbraw/zinc/52/33/92/419523392.db2.gz OGAGOTLGZDZTAJ-OAHLLOKOSA-N 2 2 314.389 1.639 50 0 DDAALP O=C(NCCc1[nH]cc[nH+]1)N1CCC([NH+]2CCSCC2)CC1 ZINC000534633008 334308275 /nfs/dbraw/zinc/30/82/75/334308275.db2.gz SZYAMSGODFVACE-UHFFFAOYSA-N 2 2 323.466 1.175 50 0 DDAALP CC[N@H+](C[C@H]1COc2ccccc2O1)C[C@@]1(O)CCC[NH+](C)C1 ZINC000226137292 563939630 /nfs/dbraw/zinc/93/96/30/563939630.db2.gz WEYGMJAATYFTLO-MAUKXSAKSA-N 2 2 320.433 1.605 50 0 DDAALP CC[N@@H+](C[C@H]1COc2ccccc2O1)C[C@@]1(O)CCC[NH+](C)C1 ZINC000226137292 563939631 /nfs/dbraw/zinc/93/96/31/563939631.db2.gz WEYGMJAATYFTLO-MAUKXSAKSA-N 2 2 320.433 1.605 50 0 DDAALP CC[NH+](C[C@H]1COc2ccccc2O1)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000226137292 563939632 /nfs/dbraw/zinc/93/96/32/563939632.db2.gz WEYGMJAATYFTLO-MAUKXSAKSA-N 2 2 320.433 1.605 50 0 DDAALP CC[NH+](C[C@H]1COc2ccccc2O1)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000226137292 563939633 /nfs/dbraw/zinc/93/96/33/563939633.db2.gz WEYGMJAATYFTLO-MAUKXSAKSA-N 2 2 320.433 1.605 50 0 DDAALP C[C@@H](C(=O)N[C@@H]1CCc2[nH+]ccn2C1)[N@@H+]1CCc2ccccc2C1 ZINC000078927796 185130115 /nfs/dbraw/zinc/13/01/15/185130115.db2.gz RGZBJANEXACSTR-WMLDXEAASA-N 2 2 324.428 1.761 50 0 DDAALP C[C@@H](C(=O)N[C@@H]1CCc2[nH+]ccn2C1)[N@H+]1CCc2ccccc2C1 ZINC000078927796 185130117 /nfs/dbraw/zinc/13/01/17/185130117.db2.gz RGZBJANEXACSTR-WMLDXEAASA-N 2 2 324.428 1.761 50 0 DDAALP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]CCn3cccn3)c2cc1C ZINC000072254032 191088457 /nfs/dbraw/zinc/08/84/57/191088457.db2.gz KYHMCHVWPYHBFQ-HNNXBMFYSA-N 2 2 313.405 1.500 50 0 DDAALP Nc1nc(NCCOc2ccccc2F)c2c([nH+]1)CC[NH2+]CC2 ZINC000072458360 191172752 /nfs/dbraw/zinc/17/27/52/191172752.db2.gz GYGFCRMNWNCFCV-UHFFFAOYSA-N 2 2 317.368 1.377 50 0 DDAALP Cc1nn(C)c2nc[nH+]c(NCC[C@@H](C)[NH+]3CCN(C)CC3)c12 ZINC000072474723 191177920 /nfs/dbraw/zinc/17/79/20/191177920.db2.gz FCRNBLNZMCWJHG-GFCCVEGCSA-N 2 2 317.441 1.110 50 0 DDAALP [NH3+][C@@H]1CCC[C@@H]1C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000237922754 202391386 /nfs/dbraw/zinc/39/13/86/202391386.db2.gz VDPVERRDVGUOCZ-DLBZAZTESA-N 2 2 317.433 1.262 50 0 DDAALP Nc1cc(N2C[C@H]3CC[C@H](C[N@H+]3Cc3ccccc3)C2)nc(N)[nH+]1 ZINC000091486675 193063065 /nfs/dbraw/zinc/06/30/65/193063065.db2.gz BFLKBMYNBJPXQX-HUUCEWRRSA-N 2 2 324.432 1.742 50 0 DDAALP Nc1cc(N2C[C@H]3CC[C@H](C[N@@H+]3Cc3ccccc3)C2)nc(N)[nH+]1 ZINC000091486675 193063066 /nfs/dbraw/zinc/06/30/66/193063066.db2.gz BFLKBMYNBJPXQX-HUUCEWRRSA-N 2 2 324.432 1.742 50 0 DDAALP CC(=O)N1CC[NH+](C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000019636644 182134289 /nfs/dbraw/zinc/13/42/89/182134289.db2.gz KNMUCWOODLUUBZ-UHFFFAOYSA-N 2 2 315.461 1.858 50 0 DDAALP C[NH+](C)CC[C@H]1C[N@H+](Cc2cccn2-c2ncccn2)CCO1 ZINC000020776878 182247006 /nfs/dbraw/zinc/24/70/06/182247006.db2.gz WPOLKNZPSLEANG-INIZCTEOSA-N 2 2 315.421 1.420 50 0 DDAALP C[NH+](C)CC[C@H]1C[N@@H+](Cc2cccn2-c2ncccn2)CCO1 ZINC000020776878 182247008 /nfs/dbraw/zinc/24/70/08/182247008.db2.gz WPOLKNZPSLEANG-INIZCTEOSA-N 2 2 315.421 1.420 50 0 DDAALP C[NH+](C)[C@@H](C(=O)NCC[NH+]1CCC(O)CC1)c1cccc(F)c1 ZINC000095380301 257271852 /nfs/dbraw/zinc/27/18/52/257271852.db2.gz HCTQJGBVFIKNGG-MRXNPFEDSA-N 2 2 323.412 1.001 50 0 DDAALP CC[NH+](CC)CC(=O)NCc1cccnc1-n1cc[nH+]c1C ZINC000069627278 406744556 /nfs/dbraw/zinc/74/45/56/406744556.db2.gz SBUAESWMNHEZOV-UHFFFAOYSA-N 2 2 301.394 1.534 50 0 DDAALP c1cnn(C[C@H]2C[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)CCO2)c1 ZINC000069418035 406709865 /nfs/dbraw/zinc/70/98/65/406709865.db2.gz PNACSBAXHYSTCM-GOSISDBHSA-N 2 2 323.400 1.970 50 0 DDAALP c1cnn(C[C@H]2C[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)CCO2)c1 ZINC000069418035 406709870 /nfs/dbraw/zinc/70/98/70/406709870.db2.gz PNACSBAXHYSTCM-GOSISDBHSA-N 2 2 323.400 1.970 50 0 DDAALP C[N@@H+]1CCCCC[C@@H]1C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000012433643 406845717 /nfs/dbraw/zinc/84/57/17/406845717.db2.gz RVJRFXZRPHIGQT-OAHLLOKOSA-N 2 2 313.405 1.758 50 0 DDAALP C[N@H+]1CCCCC[C@@H]1C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000012433643 406845719 /nfs/dbraw/zinc/84/57/19/406845719.db2.gz RVJRFXZRPHIGQT-OAHLLOKOSA-N 2 2 313.405 1.758 50 0 DDAALP CSc1nc(N2CCC([N@@H+]3CCC[C@@H](O)C3)CC2)cc(C)[nH+]1 ZINC000077439576 406991302 /nfs/dbraw/zinc/99/13/02/406991302.db2.gz FBYLOFOPINDZGS-CQSZACIVSA-N 2 2 322.478 1.932 50 0 DDAALP CSc1nc(N2CCC([N@H+]3CCC[C@@H](O)C3)CC2)cc(C)[nH+]1 ZINC000077439576 406991304 /nfs/dbraw/zinc/99/13/04/406991304.db2.gz FBYLOFOPINDZGS-CQSZACIVSA-N 2 2 322.478 1.932 50 0 DDAALP COC(=O)c1cc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c[nH]1 ZINC000097236846 407289814 /nfs/dbraw/zinc/28/98/14/407289814.db2.gz DTKQWYOLFMSFCU-ZDUSSCGKSA-N 2 2 316.405 1.990 50 0 DDAALP COC(=O)c1cc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c[nH]1 ZINC000097236846 407289815 /nfs/dbraw/zinc/28/98/15/407289815.db2.gz DTKQWYOLFMSFCU-ZDUSSCGKSA-N 2 2 316.405 1.990 50 0 DDAALP CSCC[C@H]([NH3+])C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000225475331 407586876 /nfs/dbraw/zinc/58/68/76/407586876.db2.gz STCHPGGRHMYKPA-HIFRSBDPSA-N 2 2 322.478 1.367 50 0 DDAALP O=C(CCC[NH+]1CCCC1)N1CCC[C@H](Cn2cc[nH+]c2)C1 ZINC000219619412 407533201 /nfs/dbraw/zinc/53/32/01/407533201.db2.gz LORIJJDKCOTPGP-MRXNPFEDSA-N 2 2 304.438 1.998 50 0 DDAALP [NH3+][C@H]1CCC[C@H](C(=O)N2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000238035902 407876440 /nfs/dbraw/zinc/87/64/40/407876440.db2.gz DUMNYMUUVZWWFT-GJZGRUSLSA-N 2 2 302.422 1.243 50 0 DDAALP COCCn1c(C[NH+]2CCC(F)CC2)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000244816974 407942624 /nfs/dbraw/zinc/94/26/24/407942624.db2.gz SSALMZHGRRUNMA-AULYBMBSSA-N 2 2 311.405 1.063 50 0 DDAALP Cn1cc[nH+]c1CNc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000283461280 409160741 /nfs/dbraw/zinc/16/07/41/409160741.db2.gz RTIVYBOBQRXWGX-UHFFFAOYSA-N 2 2 313.405 1.420 50 0 DDAALP C[NH+]1CCC(CNc2cc(N3CCSCC3)[nH+]cn2)CC1 ZINC000302830556 410873695 /nfs/dbraw/zinc/87/36/95/410873695.db2.gz QCMSSFUXRCSAPE-UHFFFAOYSA-N 2 2 307.467 1.784 50 0 DDAALP C[NH+]1CCC(CNc2cc(N3CCSCC3)nc[nH+]2)CC1 ZINC000302830556 410873703 /nfs/dbraw/zinc/87/37/03/410873703.db2.gz QCMSSFUXRCSAPE-UHFFFAOYSA-N 2 2 307.467 1.784 50 0 DDAALP CC(C)(C)c1cc(CNc2cc(C3CC([NH3+])C3)[nH+]c(N)n2)[nH]n1 ZINC000223968720 418564804 /nfs/dbraw/zinc/56/48/04/418564804.db2.gz ZIEFXYJALIUNNA-UHFFFAOYSA-N 2 2 315.425 1.896 50 0 DDAALP C[C@@H](O)CC[N@@H+]1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000408521445 418807806 /nfs/dbraw/zinc/80/78/06/418807806.db2.gz UOMKFMKUJJHKHW-CABCVRRESA-N 2 2 305.422 1.906 50 0 DDAALP CC(C)[C@H](O)C[NH2+]C1(CO)CC[NH+](Cc2ccccc2)CC1 ZINC000888095576 709212050 /nfs/dbraw/zinc/21/20/50/709212050.db2.gz OHHCQBHDMMEDQA-QGZVFWFLSA-N 2 2 306.450 1.620 50 0 DDAALP CC(C)c1[nH+]ccn1CCC[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000952990196 721533194 /nfs/dbraw/zinc/53/31/94/721533194.db2.gz WMCWUUJLQOOEKP-INIZCTEOSA-N 3 2 307.486 1.622 50 0 DDAALP CC(C)[N@@H+]1CCCC[C@H]1CCNc1cc2nncn2c(N)[nH+]1 ZINC000821751121 758174726 /nfs/dbraw/zinc/17/47/26/758174726.db2.gz GVDOXMVHGKSWKC-LBPRGKRZSA-N 2 2 303.414 1.771 50 0 DDAALP CC(C)[N@H+]1CCCC[C@H]1CCNc1cc2nncn2c(N)[nH+]1 ZINC000821751121 758174730 /nfs/dbraw/zinc/17/47/30/758174730.db2.gz GVDOXMVHGKSWKC-LBPRGKRZSA-N 2 2 303.414 1.771 50 0 DDAALP COc1ccccc1CN(C)c1cc(C2CC([NH3+])C2)[nH+]c(N)n1 ZINC000222591171 539265417 /nfs/dbraw/zinc/26/54/17/539265417.db2.gz JTRBVEAWXCTJMJ-UHFFFAOYSA-N 2 2 313.405 1.909 50 0 DDAALP O=C(N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)[C@H]1CCn2cc[nH+]c2C1 ZINC000623180664 365703289 /nfs/dbraw/zinc/70/32/89/365703289.db2.gz SYFHITAMLMXFAP-HRCADAONSA-N 2 2 310.401 1.317 50 0 DDAALP CCN(C)c1cc[nH+]c(NCC2(CN3CC[NH+](C)CC3)CC2)n1 ZINC000584902309 354800937 /nfs/dbraw/zinc/80/09/37/354800937.db2.gz KKOWAJWJOTUCQN-UHFFFAOYSA-N 2 2 318.469 1.372 50 0 DDAALP CCN(C)c1cc[nH+]c(NCC2(C[NH+]3CCN(C)CC3)CC2)n1 ZINC000584902309 354800939 /nfs/dbraw/zinc/80/09/39/354800939.db2.gz KKOWAJWJOTUCQN-UHFFFAOYSA-N 2 2 318.469 1.372 50 0 DDAALP Cc1[nH+]c2ccccn2c1CC(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000071614715 406840317 /nfs/dbraw/zinc/84/03/17/406840317.db2.gz OXNQJSVSPHUGEC-HNNXBMFYSA-N 2 2 312.417 1.882 50 0 DDAALP Cc1[nH+]c2ccccn2c1CC(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000071614715 406840318 /nfs/dbraw/zinc/84/03/18/406840318.db2.gz OXNQJSVSPHUGEC-HNNXBMFYSA-N 2 2 312.417 1.882 50 0 DDAALP Cc1ccc(C[N@@H+]2CC[C@@H]([NH+]3CCC(O)CC3)[C@H](O)C2)cc1C ZINC000015071598 406878419 /nfs/dbraw/zinc/87/84/19/406878419.db2.gz XFHLOTFDKOJJEL-RTBURBONSA-N 2 2 318.461 1.695 50 0 DDAALP Cc1ccc(C[N@H+]2CC[C@@H]([NH+]3CCC(O)CC3)[C@H](O)C2)cc1C ZINC000015071598 406878421 /nfs/dbraw/zinc/87/84/21/406878421.db2.gz XFHLOTFDKOJJEL-RTBURBONSA-N 2 2 318.461 1.695 50 0 DDAALP O[C@]1(C[NH+]2CCCCC2)CC[N@H+](Cc2ccc3c(c2)OCO3)C1 ZINC000077521482 406994643 /nfs/dbraw/zinc/99/46/43/406994643.db2.gz MNHAGNBOBKGOLY-SFHVURJKSA-N 2 2 318.417 1.838 50 0 DDAALP O[C@]1(C[NH+]2CCCCC2)CC[N@@H+](Cc2ccc3c(c2)OCO3)C1 ZINC000077521482 406994644 /nfs/dbraw/zinc/99/46/44/406994644.db2.gz MNHAGNBOBKGOLY-SFHVURJKSA-N 2 2 318.417 1.838 50 0 DDAALP CCc1cc(N(C)Cc2[nH]cc[nH+]2)nc(N2CCOCC2)[nH+]1 ZINC000065505107 407244013 /nfs/dbraw/zinc/24/40/13/407244013.db2.gz HKRQFHXWAABQCO-UHFFFAOYSA-N 2 2 302.382 1.235 50 0 DDAALP C[C@H]1CC[N@H+](CC(=O)Nc2nncs2)C[C@H]1n1cc[nH+]c1 ZINC000108152180 407382305 /nfs/dbraw/zinc/38/23/05/407382305.db2.gz ANBDWCPULNXNDH-WDEREUQCSA-N 2 2 306.395 1.256 50 0 DDAALP C[C@H]1CC[N@@H+](CC(=O)Nc2nncs2)C[C@H]1n1cc[nH+]c1 ZINC000108152180 407382306 /nfs/dbraw/zinc/38/23/06/407382306.db2.gz ANBDWCPULNXNDH-WDEREUQCSA-N 2 2 306.395 1.256 50 0 DDAALP CCOc1ncccc1CNc1cc([C@H]2C[C@H]([NH3+])C2)[nH+]c(N)n1 ZINC000244601874 407928789 /nfs/dbraw/zinc/92/87/89/407928789.db2.gz DTGUUPSFVNTFHS-HAQNSBGRSA-N 2 2 314.393 1.669 50 0 DDAALP Cc1nc(CC[NH+]2CCC3(CC2)C(=O)NCCC[N@H+]3C)cs1 ZINC000244734556 407934347 /nfs/dbraw/zinc/93/43/47/407934347.db2.gz NHXRDYWWESBDHC-UHFFFAOYSA-N 2 2 322.478 1.280 50 0 DDAALP Cc1nc(CC[NH+]2CCC3(CC2)C(=O)NCCC[N@@H+]3C)cs1 ZINC000244734556 407934351 /nfs/dbraw/zinc/93/43/51/407934351.db2.gz NHXRDYWWESBDHC-UHFFFAOYSA-N 2 2 322.478 1.280 50 0 DDAALP CCCN(Cc1[nH+]ccn1C)C(=O)NCCCn1cc[nH+]c1C ZINC000426563022 419507752 /nfs/dbraw/zinc/50/77/52/419507752.db2.gz DUIQVRZOSKPDCC-UHFFFAOYSA-N 2 2 318.425 1.937 50 0 DDAALP Cc1nc(N2CCN(C[C@H]3CCC[N@@H+](C)C3)CC2)c(C)c(C)[nH+]1 ZINC000092019363 279076180 /nfs/dbraw/zinc/07/61/80/279076180.db2.gz ZXFBMOKANDFAJK-KRWDZBQOSA-N 2 2 317.481 1.866 50 0 DDAALP Cc1nc(N2CCN(C[C@H]3CCC[N@H+](C)C3)CC2)c(C)c(C)[nH+]1 ZINC000092019363 279076182 /nfs/dbraw/zinc/07/61/82/279076182.db2.gz ZXFBMOKANDFAJK-KRWDZBQOSA-N 2 2 317.481 1.866 50 0 DDAALP CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@H]2C[NH+]3CCN2CC3)c1 ZINC000090647414 484012792 /nfs/dbraw/zinc/01/27/92/484012792.db2.gz CEMIZWALUMOYFZ-GUYCJALGSA-N 2 2 302.422 1.295 50 0 DDAALP Cc1nc2ccccc2n1CC[NH2+][C@@H](C)[C@H]1C[N@H+](C)CCN1C ZINC000888102155 709213994 /nfs/dbraw/zinc/21/39/94/709213994.db2.gz DVJLKISVFFDBAB-KBXCAEBGSA-N 2 2 315.465 1.569 50 0 DDAALP Cc1nc2ccccc2n1CC[NH2+][C@@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC000888102155 709213996 /nfs/dbraw/zinc/21/39/96/709213996.db2.gz DVJLKISVFFDBAB-KBXCAEBGSA-N 2 2 315.465 1.569 50 0 DDAALP CN(C)c1ccc(Cl)cc1NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC000952865086 775648818 /nfs/dbraw/zinc/64/88/18/775648818.db2.gz OWGLFZNGDCUBBM-NSHDSACASA-N 2 2 307.785 1.638 50 0 DDAALP Cc1[nH+]ccn1C[C@H]1CCCN1c1nc(-n2cccn2)cc[nH+]1 ZINC000095407810 185356425 /nfs/dbraw/zinc/35/64/25/185356425.db2.gz KMVYJMALZCSQNO-CQSZACIVSA-N 2 2 309.377 1.836 50 0 DDAALP Cc1cc(N2CC[NH+]([C@H]3Cc4ccccc4[C@H]3O)CC2)nc(C)[nH+]1 ZINC000097034108 185399883 /nfs/dbraw/zinc/39/98/83/185399883.db2.gz LCNKWSNNNBUYSI-PKOBYXMFSA-N 2 2 324.428 1.874 50 0 DDAALP [NH3+][C@@H]1CC[C@@H](C(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000237941334 202398692 /nfs/dbraw/zinc/39/86/92/202398692.db2.gz FLUFHSVKQSHMHV-RHSMWYFYSA-N 2 2 317.433 1.262 50 0 DDAALP O=C(Cn1cc[nH+]c1)N1CC[NH+](C[C@@H]2C[C@@H]3C=C[C@H]2C3)CC1 ZINC000020778394 182246691 /nfs/dbraw/zinc/24/66/91/182246691.db2.gz SDPUILYBEIMTGA-PMPSAXMXSA-N 2 2 300.406 1.240 50 0 DDAALP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(-n2cncn2)c(F)c1 ZINC000042229467 183244578 /nfs/dbraw/zinc/24/45/78/183244578.db2.gz SQMHWLORVYHWHH-LBPRGKRZSA-N 2 2 300.341 1.781 50 0 DDAALP CC[NH+](CC)C[C@@H](C)NC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000058391451 184111514 /nfs/dbraw/zinc/11/15/14/184111514.db2.gz RQQQWYLFAWKGRP-CYBMUJFWSA-N 2 2 301.394 1.727 50 0 DDAALP CNc1cc(N2CCC[C@@H](C[NH2+]CCn3cccn3)C2)nc[nH+]1 ZINC000069846052 406780577 /nfs/dbraw/zinc/78/05/77/406780577.db2.gz UZNOAQQKKYPTRB-AWEZNQCLSA-N 2 2 315.425 1.221 50 0 DDAALP CNc1cc(N2CCC[C@@H](C[NH2+]CCn3cccn3)C2)[nH+]cn1 ZINC000069846052 406780579 /nfs/dbraw/zinc/78/05/79/406780579.db2.gz UZNOAQQKKYPTRB-AWEZNQCLSA-N 2 2 315.425 1.221 50 0 DDAALP COc1cc(C[NH2+][C@@H](C)Cn2cc[nH+]c2)cc2c1OCCO2 ZINC000030909804 406935140 /nfs/dbraw/zinc/93/51/40/406935140.db2.gz OGNYMSKAKWFKJO-LBPRGKRZSA-N 2 2 303.362 1.841 50 0 DDAALP Cc1cc(N2CC[NH+](CCOC[C@H]3CCCO3)CC2)nc(C)[nH+]1 ZINC000096421083 407263227 /nfs/dbraw/zinc/26/32/27/407263227.db2.gz HGWXAJRJQLCLFD-MRXNPFEDSA-N 2 2 320.437 1.411 50 0 DDAALP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)/C=C\c1ccncc1 ZINC000097315692 407291190 /nfs/dbraw/zinc/29/11/90/407291190.db2.gz WNHHQRLAWGNBCA-PLNGDYQASA-N 2 2 316.449 1.579 50 0 DDAALP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)/C=C\c1ccncc1 ZINC000097315692 407291193 /nfs/dbraw/zinc/29/11/93/407291193.db2.gz WNHHQRLAWGNBCA-PLNGDYQASA-N 2 2 316.449 1.579 50 0 DDAALP COc1ccc(/C=C/C[N@@H+]2CCN3CC[NH+](C)C[C@@H]3C2)cc1 ZINC000107435117 407375008 /nfs/dbraw/zinc/37/50/08/407375008.db2.gz ZJBBZNLWPXSQLU-REMYHPOOSA-N 2 2 301.434 1.640 50 0 DDAALP COc1ccc(/C=C/C[NH+]2CCN3CC[N@H+](C)C[C@@H]3C2)cc1 ZINC000107435117 407375011 /nfs/dbraw/zinc/37/50/11/407375011.db2.gz ZJBBZNLWPXSQLU-REMYHPOOSA-N 2 2 301.434 1.640 50 0 DDAALP COc1ccc(/C=C/C[NH+]2CCN3CC[N@@H+](C)C[C@@H]3C2)cc1 ZINC000107435117 407375012 /nfs/dbraw/zinc/37/50/12/407375012.db2.gz ZJBBZNLWPXSQLU-REMYHPOOSA-N 2 2 301.434 1.640 50 0 DDAALP C[NH+]1CCC(CCNc2cc(C3CC([NH3+])C3)[nH+]c(N)n2)CC1 ZINC000222391914 407556079 /nfs/dbraw/zinc/55/60/79/407556079.db2.gz OFEBOGAPQUAAFL-UHFFFAOYSA-N 3 2 304.442 1.407 50 0 DDAALP CCc1csc(CNc2cc([C@H]3C[C@@H]([NH3+])C3)[nH+]c(N)n2)n1 ZINC000244712762 407932669 /nfs/dbraw/zinc/93/26/69/407932669.db2.gz KWQPSKCZKBEMFA-DTORHVGOSA-N 2 2 304.423 1.895 50 0 DDAALP Cc1[nH+]ccn1CC[NH+]1CCC(C(=O)NCc2ccco2)CC1 ZINC000244874375 407942101 /nfs/dbraw/zinc/94/21/01/407942101.db2.gz XAEJQAFEWCQAFQ-UHFFFAOYSA-N 2 2 316.405 1.813 50 0 DDAALP Cc1cccc(N2CC[NH+](C[C@H](O)C[NH+]3CCCC3)CC2)c1 ZINC000048366646 418471321 /nfs/dbraw/zinc/47/13/21/418471321.db2.gz TVMQKEZTPLDDJB-GOSISDBHSA-N 2 2 303.450 1.574 50 0 DDAALP CC(C)Cn1c[nH+]cc1C[N@@H+]1CC2(C[C@@H]1C(=O)[O-])CC[NH2+]CC2 ZINC000072173738 279259744 /nfs/dbraw/zinc/25/97/44/279259744.db2.gz GWGKNDKUFGFICO-OAHLLOKOSA-N 2 2 320.437 1.568 50 0 DDAALP CC(C)Cn1c[nH+]cc1C[N@H+]1CC2(C[C@@H]1C(=O)[O-])CC[NH2+]CC2 ZINC000072173738 279259747 /nfs/dbraw/zinc/25/97/47/279259747.db2.gz GWGKNDKUFGFICO-OAHLLOKOSA-N 2 2 320.437 1.568 50 0 DDAALP COc1ncc(C[N@@H+]2CCC[C@@H](Cn3cc[nH+]c3C)C2)cn1 ZINC000824851748 759210624 /nfs/dbraw/zinc/21/06/24/759210624.db2.gz CBVJAOCEMJAFBQ-CQSZACIVSA-N 2 2 301.394 1.902 50 0 DDAALP COc1ncc(C[N@H+]2CCC[C@@H](Cn3cc[nH+]c3C)C2)cn1 ZINC000824851748 759210627 /nfs/dbraw/zinc/21/06/27/759210627.db2.gz CBVJAOCEMJAFBQ-CQSZACIVSA-N 2 2 301.394 1.902 50 0 DDAALP Cc1nn(C[C@H](C)[NH2+][C@@H](C)[C@H](c2ccccc2)[NH+](C)C)c(=O)o1 ZINC000585141260 354814604 /nfs/dbraw/zinc/81/46/04/354814604.db2.gz SHEJGUPHQQLMJK-HEHGZKQESA-N 2 2 318.421 1.814 50 0 DDAALP O=C(CCCC[NH+]1CCOCC1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000600119546 358129584 /nfs/dbraw/zinc/12/95/84/358129584.db2.gz ZJTCCTRGDVGQLP-HNNXBMFYSA-N 2 2 320.437 1.618 50 0 DDAALP CCc1nnc(C[N@@H+]2CCC[C@@H](c3[nH+]ccn3CCOC)C2)o1 ZINC000091595779 193077465 /nfs/dbraw/zinc/07/74/65/193077465.db2.gz MHPBXHRFXZBEES-CYBMUJFWSA-N 2 2 319.409 1.855 50 0 DDAALP CCc1nnc(C[N@H+]2CCC[C@@H](c3[nH+]ccn3CCOC)C2)o1 ZINC000091595779 193077467 /nfs/dbraw/zinc/07/74/67/193077467.db2.gz MHPBXHRFXZBEES-CYBMUJFWSA-N 2 2 319.409 1.855 50 0 DDAALP O=C(NCCn1cc[nH+]c1)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000065553354 184365522 /nfs/dbraw/zinc/36/55/22/184365522.db2.gz YOQQBGLEQXJCPQ-AWEZNQCLSA-N 2 2 317.393 1.612 50 0 DDAALP CC[N@@H+]1CCO[C@@H](C[NH2+]Cc2ccc(-n3cncn3)cc2)C1 ZINC000069658886 406750849 /nfs/dbraw/zinc/75/08/49/406750849.db2.gz HCRMSEOWEXHEKJ-INIZCTEOSA-N 2 2 301.394 1.078 50 0 DDAALP CC[N@H+]1CCO[C@@H](C[NH2+]Cc2ccc(-n3cncn3)cc2)C1 ZINC000069658886 406750853 /nfs/dbraw/zinc/75/08/53/406750853.db2.gz HCRMSEOWEXHEKJ-INIZCTEOSA-N 2 2 301.394 1.078 50 0 DDAALP C[N@@H+](Cc1noc(C(C)(C)C)n1)CC1CC[NH+](CCO)CC1 ZINC000070040026 406806703 /nfs/dbraw/zinc/80/67/03/406806703.db2.gz RAHBWBGOQUKWHF-UHFFFAOYSA-N 2 2 310.442 1.503 50 0 DDAALP C[N@H+](Cc1noc(C(C)(C)C)n1)CC1CC[NH+](CCO)CC1 ZINC000070040026 406806708 /nfs/dbraw/zinc/80/67/08/406806708.db2.gz RAHBWBGOQUKWHF-UHFFFAOYSA-N 2 2 310.442 1.503 50 0 DDAALP O=C(c1ccc(-n2cc[nH+]c2)nc1)N1CC[NH+](CC2CC2)CC1 ZINC000071829928 406848590 /nfs/dbraw/zinc/84/85/90/406848590.db2.gz LTHHUUOHRUEJLB-UHFFFAOYSA-N 2 2 311.389 1.435 50 0 DDAALP Cc1c[nH+]c(NC2CC[NH+](C[C@H]3CCCO3)CC2)nc1N(C)C ZINC000065419361 407243831 /nfs/dbraw/zinc/24/38/31/407243831.db2.gz RYQLGQGROUBRNV-OAHLLOKOSA-N 2 2 319.453 1.906 50 0 DDAALP Cc1[nH+]c(CN(C)C[C@H](C)[NH+]2CCOCC2)c2ccccn12 ZINC000067725691 407281636 /nfs/dbraw/zinc/28/16/36/407281636.db2.gz MIDDDUOYCWZGHC-AWEZNQCLSA-N 2 2 302.422 1.795 50 0 DDAALP Cc1ccc(C[N@H+]2CCN(Cc3c[nH+]c(C)[nH]3)C[C@H]2CCO)o1 ZINC000104645692 407352227 /nfs/dbraw/zinc/35/22/27/407352227.db2.gz UVFCYJDKUXLEJK-MRXNPFEDSA-N 2 2 318.421 1.688 50 0 DDAALP Cc1ccc(C[N@@H+]2CCN(Cc3c[nH]c(C)[nH+]3)C[C@H]2CCO)o1 ZINC000104645692 407352228 /nfs/dbraw/zinc/35/22/28/407352228.db2.gz UVFCYJDKUXLEJK-MRXNPFEDSA-N 2 2 318.421 1.688 50 0 DDAALP Cc1ccc(C[N@H+]2CCN(Cc3c[nH]c(C)[nH+]3)C[C@H]2CCO)o1 ZINC000104645692 407352230 /nfs/dbraw/zinc/35/22/30/407352230.db2.gz UVFCYJDKUXLEJK-MRXNPFEDSA-N 2 2 318.421 1.688 50 0 DDAALP C[C@H](NC(=O)C[N@H+](C)C1CC[NH2+]CC1)c1nc2ccccc2[nH]1 ZINC000215250341 407483316 /nfs/dbraw/zinc/48/33/16/407483316.db2.gz SHCJNQVQVLAXNU-LBPRGKRZSA-N 2 2 315.421 1.424 50 0 DDAALP C[C@H](NC(=O)C[N@@H+](C)C1CC[NH2+]CC1)c1nc2ccccc2[nH]1 ZINC000215250341 407483323 /nfs/dbraw/zinc/48/33/23/407483323.db2.gz SHCJNQVQVLAXNU-LBPRGKRZSA-N 2 2 315.421 1.424 50 0 DDAALP COCCn1cc[nH+]c1CN1CCN(c2cc[nH+]c(C)c2)CC1 ZINC000215659064 407486997 /nfs/dbraw/zinc/48/69/97/407486997.db2.gz LDJHHJXBHDOWDH-UHFFFAOYSA-N 2 2 315.421 1.555 50 0 DDAALP Cc1ccc2[nH]c(CCC(=O)NC[C@@H]3C[C@H](F)C[NH2+]3)[nH+]c2c1C ZINC000426497004 419490625 /nfs/dbraw/zinc/49/06/25/419490625.db2.gz OXQSIKBTRRNHFA-STQMWFEESA-N 2 2 318.396 1.929 50 0 DDAALP Cc1cccc(N2CCC([NH2+]C[C@@H]3C[NH2+]CCO3)CC2)c1C ZINC000426544683 228584731 /nfs/dbraw/zinc/58/47/31/228584731.db2.gz IOYIGDKXIKRFDA-KRWDZBQOSA-N 2 2 303.450 1.850 50 0 DDAALP CCc1[nH+]ccn1C[C@H](C)[NH2+]Cc1ccc(C(=O)N(C)C)o1 ZINC000534587826 334292737 /nfs/dbraw/zinc/29/27/37/334292737.db2.gz IZTKCPCFWONNBV-LBPRGKRZSA-N 2 2 304.394 1.919 50 0 DDAALP C[N@@H+]1CC[C@@H](C[NH+]2CCN(c3ncnc4sccc43)CC2)C1 ZINC000952874636 775621846 /nfs/dbraw/zinc/62/18/46/775621846.db2.gz ICOOAVNHLWHNND-CYBMUJFWSA-N 2 2 317.462 1.765 50 0 DDAALP C[N@H+]1CC[C@@H](C[NH+]2CCN(c3ncnc4sccc43)CC2)C1 ZINC000952874636 775621851 /nfs/dbraw/zinc/62/18/51/775621851.db2.gz ICOOAVNHLWHNND-CYBMUJFWSA-N 2 2 317.462 1.765 50 0 DDAALP [NH3+][C@@H]1CC[N@H+](Cc2cc(C[NH+]3CCCCC3)cs2)C[C@H]1O ZINC000082109187 192358631 /nfs/dbraw/zinc/35/86/31/192358631.db2.gz CFGIUUCLFQHBLH-HZPDHXFCSA-N 3 2 309.479 1.628 50 0 DDAALP [NH3+][C@@H]1CC[N@@H+](Cc2cc(C[NH+]3CCCCC3)cs2)C[C@H]1O ZINC000082109187 192358634 /nfs/dbraw/zinc/35/86/34/192358634.db2.gz CFGIUUCLFQHBLH-HZPDHXFCSA-N 3 2 309.479 1.628 50 0 DDAALP O=C(C[N@@H+]1CCC[C@H](c2ccccc2)C1)NCCc1c[nH+]c[nH]1 ZINC000095388936 185351262 /nfs/dbraw/zinc/35/12/62/185351262.db2.gz JIMLDKULFSNGFL-INIZCTEOSA-N 2 2 312.417 1.948 50 0 DDAALP O=C(C[N@H+]1CCC[C@H](c2ccccc2)C1)NCCc1c[nH+]c[nH]1 ZINC000095388936 185351263 /nfs/dbraw/zinc/35/12/63/185351263.db2.gz JIMLDKULFSNGFL-INIZCTEOSA-N 2 2 312.417 1.948 50 0 DDAALP O=C(C[N@@H+]1CCC[C@H](c2ccccc2)C1)NCCc1c[nH]c[nH+]1 ZINC000095388936 185351264 /nfs/dbraw/zinc/35/12/64/185351264.db2.gz JIMLDKULFSNGFL-INIZCTEOSA-N 2 2 312.417 1.948 50 0 DDAALP O=C(C[N@H+]1CCC[C@H](c2ccccc2)C1)NCCc1c[nH]c[nH+]1 ZINC000095388936 185351265 /nfs/dbraw/zinc/35/12/65/185351265.db2.gz JIMLDKULFSNGFL-INIZCTEOSA-N 2 2 312.417 1.948 50 0 DDAALP Nc1nc(NCCCOc2ccccc2)c2c([nH+]1)CC[NH2+]CC2 ZINC000072448175 191169884 /nfs/dbraw/zinc/16/98/84/191169884.db2.gz JQPBUCFRRFCQHN-UHFFFAOYSA-N 2 2 313.405 1.628 50 0 DDAALP C[NH+]1CCN(C(=O)CCc2cc[nH+]c(N3CCCC3)c2)CC1 ZINC000096102070 353914301 /nfs/dbraw/zinc/91/43/01/353914301.db2.gz LVIOUUVSKYAXAK-UHFFFAOYSA-N 2 2 302.422 1.388 50 0 DDAALP C[NH+](C)CCn1c2ccccc2n(C[C@H](O)c2ccco2)c1=[NH2+] ZINC000005129018 181207526 /nfs/dbraw/zinc/20/75/26/181207526.db2.gz DFUYIMOYSIFXIY-HNNXBMFYSA-N 2 2 314.389 1.810 50 0 DDAALP COc1ccc(C[N@@H+]2C[C@H](CO)[C@H](C[NH+]3CCCC3)C2)c(F)c1 ZINC000091416460 193052812 /nfs/dbraw/zinc/05/28/12/193052812.db2.gz SPLULCNZRSCPMC-HZPDHXFCSA-N 2 2 322.424 1.970 50 0 DDAALP COc1ccc(C[N@H+]2C[C@H](CO)[C@H](C[NH+]3CCCC3)C2)c(F)c1 ZINC000091416460 193052814 /nfs/dbraw/zinc/05/28/14/193052814.db2.gz SPLULCNZRSCPMC-HZPDHXFCSA-N 2 2 322.424 1.970 50 0 DDAALP O=C(NCCn1cc[nH+]c1)[C@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000091830524 193113818 /nfs/dbraw/zinc/11/38/18/193113818.db2.gz XJMHDKPWYFKKBD-AWEZNQCLSA-N 2 2 302.378 1.505 50 0 DDAALP O=C(NCCn1cc[nH+]c1)[C@H]1CCC[N@@H+](Cc2ccco2)C1 ZINC000091830524 193113819 /nfs/dbraw/zinc/11/38/19/193113819.db2.gz XJMHDKPWYFKKBD-AWEZNQCLSA-N 2 2 302.378 1.505 50 0 DDAALP C[NH+]1CCN(C2=[NH+]CCN2C(=O)c2cccc(Cl)c2)CC1 ZINC000064677751 184302769 /nfs/dbraw/zinc/30/27/69/184302769.db2.gz HKAUWNKPAJFZPI-UHFFFAOYSA-N 2 2 306.797 1.399 50 0 DDAALP OC1CC[NH+](Cc2ccccc2OCC[NH+]2CCOCC2)CC1 ZINC000222578891 257274500 /nfs/dbraw/zinc/27/45/00/257274500.db2.gz WMGXIINMTYCDDS-UHFFFAOYSA-N 2 2 320.433 1.354 50 0 DDAALP Cc1sc2[nH]c(C[NH+]3CCC(C[NH3+])CC3)nc(=O)c2c1C ZINC000044513379 407025507 /nfs/dbraw/zinc/02/55/07/407025507.db2.gz YKVKFNLVGXWIPU-UHFFFAOYSA-N 2 2 306.435 1.772 50 0 DDAALP O=C(C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1)NC1CCCCC1 ZINC000089884981 407155673 /nfs/dbraw/zinc/15/56/73/407155673.db2.gz CVRVBIULBJUUAU-INIZCTEOSA-N 2 2 303.406 1.984 50 0 DDAALP O=C(C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1)NC1CCCCC1 ZINC000089884981 407155676 /nfs/dbraw/zinc/15/56/76/407155676.db2.gz CVRVBIULBJUUAU-INIZCTEOSA-N 2 2 303.406 1.984 50 0 DDAALP CCc1cc(N2CCC([NH2+]C[C@@H]3C[C@H](F)C[NH2+]3)CC2)nc(C)[nH+]1 ZINC000096154106 407241787 /nfs/dbraw/zinc/24/17/87/407241787.db2.gz RDFIUZIRJKGLSN-BBRMVZONSA-N 3 2 321.444 1.606 50 0 DDAALP CCc1cc(N2CCC([NH2+]C[C@@H]3C[C@H](F)CN3)CC2)nc(C)[nH+]1 ZINC000096154106 407241789 /nfs/dbraw/zinc/24/17/89/407241789.db2.gz RDFIUZIRJKGLSN-BBRMVZONSA-N 2 2 321.444 1.606 50 0 DDAALP Cc1cc(C)c(C[N@@H+]2CCO[C@@H](C[NH3+])C2)c(-n2cccn2)c1 ZINC000067694493 407280208 /nfs/dbraw/zinc/28/02/08/407280208.db2.gz RENGMJRAHOQJQS-HNNXBMFYSA-N 2 2 300.406 1.649 50 0 DDAALP Cc1cc(C)c(C[N@H+]2CCO[C@@H](C[NH3+])C2)c(-n2cccn2)c1 ZINC000067694493 407280209 /nfs/dbraw/zinc/28/02/09/407280209.db2.gz RENGMJRAHOQJQS-HNNXBMFYSA-N 2 2 300.406 1.649 50 0 DDAALP C[N@@H+]1CCc2ncnc(N3CC[NH+](C4CCCC4)CC3)c2C1 ZINC000097212229 407288482 /nfs/dbraw/zinc/28/84/82/407288482.db2.gz HINGXEKFPHXZTK-UHFFFAOYSA-N 2 2 301.438 1.529 50 0 DDAALP C[N@H+]1CCc2ncnc(N3CC[NH+](C4CCCC4)CC3)c2C1 ZINC000097212229 407288483 /nfs/dbraw/zinc/28/84/83/407288483.db2.gz HINGXEKFPHXZTK-UHFFFAOYSA-N 2 2 301.438 1.529 50 0 DDAALP C[C@H]1CN(C(=O)c2cccc(C[NH+]3CCOCC3)c2)C[C@H](C)[NH2+]1 ZINC000153686038 407876599 /nfs/dbraw/zinc/87/65/99/407876599.db2.gz ZMJDDMGQZPMIBN-GJZGRUSLSA-N 2 2 317.433 1.341 50 0 DDAALP NC(=O)C1CC[NH+](CCCNc2[nH+]ccc3ccccc32)CC1 ZINC000584888211 422302460 /nfs/dbraw/zinc/30/24/60/422302460.db2.gz VYWLZIYQKJMPMS-UHFFFAOYSA-N 2 2 312.417 2.234 50 0 DDAALP C[C@H](CC[NH+]1CCN(C2CC2)CC1)N1CC[NH+](C2CC2)CC1 ZINC000095428286 278172282 /nfs/dbraw/zinc/17/22/82/278172282.db2.gz UXWNSNUUZMTAKW-MRXNPFEDSA-N 2 2 306.498 1.325 50 0 DDAALP O=C(C1CCC1)N1CCC([NH2+]CC[NH+]2CCC(CO)CC2)CC1 ZINC000534672601 334321298 /nfs/dbraw/zinc/32/12/98/334321298.db2.gz KDTQHQWDRFDVTD-UHFFFAOYSA-N 2 2 323.481 1.071 50 0 DDAALP COCCc1noc([C@H]2CCC[N@H+](Cc3c[nH+]c(C)[nH]3)C2)n1 ZINC000670454141 484840415 /nfs/dbraw/zinc/84/04/15/484840415.db2.gz VDTYXRQEIOTRKO-LBPRGKRZSA-N 2 2 305.382 1.670 50 0 DDAALP COCCc1noc([C@H]2CCC[N@@H+](Cc3c[nH+]c(C)[nH]3)C2)n1 ZINC000670454141 484840418 /nfs/dbraw/zinc/84/04/18/484840418.db2.gz VDTYXRQEIOTRKO-LBPRGKRZSA-N 2 2 305.382 1.670 50 0 DDAALP Cc1cccc([C@@H](C(=O)NCC[NH+]2CCC(O)CC2)[NH+](C)C)c1 ZINC000095389456 185351236 /nfs/dbraw/zinc/35/12/36/185351236.db2.gz AUEHAYAUMLVXHD-KRWDZBQOSA-N 2 2 319.449 1.171 50 0 DDAALP CN(Cc1[nH]cc[nH+]1)C(=O)NC1CC[NH+](C2CCOCC2)CC1 ZINC000584893438 354795316 /nfs/dbraw/zinc/79/53/16/354795316.db2.gz JJVHNTAZROZBHO-UHFFFAOYSA-N 2 2 321.425 1.195 50 0 DDAALP CC[N@@H+](Cc1cn(CC2CC[NH2+]CC2)nn1)C[C@@H]1CCCO1 ZINC000023146112 182351694 /nfs/dbraw/zinc/35/16/94/182351694.db2.gz MGOXPUVMHUBTMN-INIZCTEOSA-N 2 2 307.442 1.279 50 0 DDAALP CC[N@H+](Cc1cn(CC2CC[NH2+]CC2)nn1)C[C@@H]1CCCO1 ZINC000023146112 182351696 /nfs/dbraw/zinc/35/16/96/182351696.db2.gz MGOXPUVMHUBTMN-INIZCTEOSA-N 2 2 307.442 1.279 50 0 DDAALP CC[N@@H+]1CCC[C@](C)(C(=O)N(C)CCCc2[nH+]ccn2C)C1 ZINC000065431268 184344068 /nfs/dbraw/zinc/34/40/68/184344068.db2.gz DFXHKUVWAXGQOL-KRWDZBQOSA-N 2 2 306.454 1.933 50 0 DDAALP CC[N@H+]1CCC[C@](C)(C(=O)N(C)CCCc2[nH+]ccn2C)C1 ZINC000065431268 184344070 /nfs/dbraw/zinc/34/40/70/184344070.db2.gz DFXHKUVWAXGQOL-KRWDZBQOSA-N 2 2 306.454 1.933 50 0 DDAALP CC[N@@H+]1CC[C@H](CNC(=O)NCCc2cn3ccccc3[nH+]2)C1 ZINC000065449341 184346059 /nfs/dbraw/zinc/34/60/59/184346059.db2.gz XGEVUPBWUHDXPE-CQSZACIVSA-N 2 2 315.421 1.518 50 0 DDAALP CC[N@H+]1CC[C@H](CNC(=O)NCCc2cn3ccccc3[nH+]2)C1 ZINC000065449341 184346061 /nfs/dbraw/zinc/34/60/61/184346061.db2.gz XGEVUPBWUHDXPE-CQSZACIVSA-N 2 2 315.421 1.518 50 0 DDAALP CC[C@H](O)C[NH+]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000071881102 406861403 /nfs/dbraw/zinc/86/14/03/406861403.db2.gz NSQMSNVYUYOYRI-IRXDYDNUSA-N 2 2 319.449 1.204 50 0 DDAALP Cc1[nH+]c2ccccc2n1CC(=O)NCCC[NH+]1CCOCC1 ZINC000012362951 406841978 /nfs/dbraw/zinc/84/19/78/406841978.db2.gz BMMOIMRCHVMGGY-UHFFFAOYSA-N 2 2 316.405 1.183 50 0 DDAALP Cc1c[nH+]ccc1N1CCN(c2nc(N(C)C)c(C)c[nH+]2)CC1 ZINC000065372422 407242767 /nfs/dbraw/zinc/24/27/67/407242767.db2.gz ODYQRLHDZWACQR-UHFFFAOYSA-N 2 2 312.421 1.881 50 0 DDAALP Cc1[nH]ncc1C[NH2+]CCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000097159559 407284119 /nfs/dbraw/zinc/28/41/19/407284119.db2.gz LZWLLBXMNZSGMD-GOSISDBHSA-N 2 2 313.449 1.796 50 0 DDAALP Cc1[nH]ncc1C[NH2+]CCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000097159559 407284121 /nfs/dbraw/zinc/28/41/21/407284121.db2.gz LZWLLBXMNZSGMD-GOSISDBHSA-N 2 2 313.449 1.796 50 0 DDAALP CC(C)C[NH+]1CCC(C(=O)N[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000097197574 407285619 /nfs/dbraw/zinc/28/56/19/407285619.db2.gz QGEQCMSBERNAKZ-OAHLLOKOSA-N 2 2 304.438 1.682 50 0 DDAALP C[C@H](C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1)CS(C)(=O)=O ZINC000170590950 407446557 /nfs/dbraw/zinc/44/65/57/407446557.db2.gz PZXHLCQQIUCWRW-ZIAGYGMSSA-N 2 2 313.467 1.355 50 0 DDAALP C[C@H](C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1)CS(C)(=O)=O ZINC000170590950 407446561 /nfs/dbraw/zinc/44/65/61/407446561.db2.gz PZXHLCQQIUCWRW-ZIAGYGMSSA-N 2 2 313.467 1.355 50 0 DDAALP c1nc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)sc1C1OCCO1 ZINC000253428082 407447124 /nfs/dbraw/zinc/44/71/24/407447124.db2.gz IDCXUFHAPMQDNG-LLVKDONJSA-N 2 2 309.435 1.762 50 0 DDAALP c1nc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)sc1C1OCCO1 ZINC000253428082 407447130 /nfs/dbraw/zinc/44/71/30/407447130.db2.gz IDCXUFHAPMQDNG-LLVKDONJSA-N 2 2 309.435 1.762 50 0 DDAALP C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)Cc1cn2ccccc2[nH+]1 ZINC000248081272 408534440 /nfs/dbraw/zinc/53/44/40/408534440.db2.gz AKDMZVRXJPFSBN-HZPDHXFCSA-N 2 2 312.417 1.962 50 0 DDAALP C[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)Cc1cn2ccccc2[nH+]1 ZINC000248081272 408534446 /nfs/dbraw/zinc/53/44/46/408534446.db2.gz AKDMZVRXJPFSBN-HZPDHXFCSA-N 2 2 312.417 1.962 50 0 DDAALP COc1ccccc1N1CC[NH+](C[C@@]2(O)CCC[N@H+](C)C2)CC1 ZINC000046087402 418445051 /nfs/dbraw/zinc/44/50/51/418445051.db2.gz VELZRJHNRKMMLE-GOSISDBHSA-N 2 2 319.449 1.274 50 0 DDAALP COc1ccccc1N1CC[NH+](C[C@@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000046087402 418445053 /nfs/dbraw/zinc/44/50/53/418445053.db2.gz VELZRJHNRKMMLE-GOSISDBHSA-N 2 2 319.449 1.274 50 0 DDAALP NC(=O)NC(=O)C[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000408525551 418808671 /nfs/dbraw/zinc/80/86/71/418808671.db2.gz ZPQDKUZURSFKRX-UHFFFAOYSA-N 2 2 315.377 1.012 50 0 DDAALP O=C(C[N@@H+]1CCOc2ccccc2C1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000065462064 696344864 /nfs/dbraw/zinc/34/48/64/696344864.db2.gz CPGMCJXPHKSZAF-CVEARBPZSA-N 2 2 315.417 1.234 50 0 DDAALP O=C(C[N@H+]1CCOc2ccccc2C1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000065462064 696344866 /nfs/dbraw/zinc/34/48/66/696344866.db2.gz CPGMCJXPHKSZAF-CVEARBPZSA-N 2 2 315.417 1.234 50 0 DDAALP CC[NH+]1CCC(NC(=O)CO[NH+]=C(N)Cc2ccccc2)CC1 ZINC000864091012 706064940 /nfs/dbraw/zinc/06/49/40/706064940.db2.gz KEDHCADXJFAADC-UHFFFAOYSA-N 2 2 318.421 1.328 50 0 DDAALP Cc1ccc(C[NH2+]C2(C(=O)N3CC[NH+](C)CC3)CCCC2)nc1 ZINC000095416687 185359090 /nfs/dbraw/zinc/35/90/90/185359090.db2.gz HGCDIABMGPXFLU-UHFFFAOYSA-N 2 2 316.449 1.566 50 0 DDAALP CC(=O)N1CCN(c2cc(-n3c[nH+]c(C)c3C)nc(C)[nH+]2)CC1 ZINC000072442243 191167367 /nfs/dbraw/zinc/16/73/67/191167367.db2.gz FYAWXXFJMQXXFJ-UHFFFAOYSA-N 2 2 314.393 1.256 50 0 DDAALP CCOc1ccc(C[NH2+]CCC[NH+]2CCOCC2)cc1OC ZINC000004435678 181109679 /nfs/dbraw/zinc/10/96/79/181109679.db2.gz WFYVUGQZLAUENC-UHFFFAOYSA-N 2 2 308.422 1.906 50 0 DDAALP COc1ccccc1C[NH+]1CCN(C(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000237166981 202173133 /nfs/dbraw/zinc/17/31/33/202173133.db2.gz OJYWZIAUORNSEK-GOEBONIOSA-N 2 2 317.433 1.467 50 0 DDAALP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)c2ccc(C[NH3+])o2)C[C@H](C)O1 ZINC000237615866 202306591 /nfs/dbraw/zinc/30/65/91/202306591.db2.gz JWQWZSHQCDSQFP-MJBXVCDLSA-N 2 2 321.421 1.452 50 0 DDAALP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)c2ccc(C[NH3+])o2)C[C@H](C)O1 ZINC000237615866 202306594 /nfs/dbraw/zinc/30/65/94/202306594.db2.gz JWQWZSHQCDSQFP-MJBXVCDLSA-N 2 2 321.421 1.452 50 0 DDAALP CC[N@@H+]1CCO[C@H](C[NH2+]Cc2ccc(-n3cncn3)cc2)C1 ZINC000069658883 406751629 /nfs/dbraw/zinc/75/16/29/406751629.db2.gz HCRMSEOWEXHEKJ-MRXNPFEDSA-N 2 2 301.394 1.078 50 0 DDAALP CC[N@H+]1CCO[C@H](C[NH2+]Cc2ccc(-n3cncn3)cc2)C1 ZINC000069658883 406751632 /nfs/dbraw/zinc/75/16/32/406751632.db2.gz HCRMSEOWEXHEKJ-MRXNPFEDSA-N 2 2 301.394 1.078 50 0 DDAALP CCn1cc(C[N@@H+]2CCCN(C(=O)C[NH+](C)C3CC3)CC2)cn1 ZINC000069458739 406717923 /nfs/dbraw/zinc/71/79/23/406717923.db2.gz NRWBDXLMXONFKS-UHFFFAOYSA-N 2 2 319.453 1.032 50 0 DDAALP CCn1cc(C[N@H+]2CCCN(C(=O)C[NH+](C)C3CC3)CC2)cn1 ZINC000069458739 406717925 /nfs/dbraw/zinc/71/79/25/406717925.db2.gz NRWBDXLMXONFKS-UHFFFAOYSA-N 2 2 319.453 1.032 50 0 DDAALP CCn1cc(C[NH+]2CCCN(C(=O)C[N@H+](C)C3CC3)CC2)cn1 ZINC000069458739 406717927 /nfs/dbraw/zinc/71/79/27/406717927.db2.gz NRWBDXLMXONFKS-UHFFFAOYSA-N 2 2 319.453 1.032 50 0 DDAALP CCn1cc(C[NH+]2CCCN(C(=O)C[N@@H+](C)C3CC3)CC2)cn1 ZINC000069458739 406717930 /nfs/dbraw/zinc/71/79/30/406717930.db2.gz NRWBDXLMXONFKS-UHFFFAOYSA-N 2 2 319.453 1.032 50 0 DDAALP CN(C)c1[nH+]cccc1CNC(=O)NCC[N@H+](C)C1CCCC1 ZINC000069876838 406787052 /nfs/dbraw/zinc/78/70/52/406787052.db2.gz OKZSCHNSZRISJZ-UHFFFAOYSA-N 2 2 319.453 1.821 50 0 DDAALP CN(C)c1[nH+]cccc1CNC(=O)NCC[N@@H+](C)C1CCCC1 ZINC000069876838 406787059 /nfs/dbraw/zinc/78/70/59/406787059.db2.gz OKZSCHNSZRISJZ-UHFFFAOYSA-N 2 2 319.453 1.821 50 0 DDAALP Cc1nc2n(n1)C[C@@H]([NH2+]Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC000069927760 406792965 /nfs/dbraw/zinc/79/29/65/406792965.db2.gz FVWJBIUUDQSIMW-HNNXBMFYSA-N 2 2 308.389 1.877 50 0 DDAALP C[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000012835714 406853155 /nfs/dbraw/zinc/85/31/55/406853155.db2.gz DHOZBRDCELHRCV-OAHLLOKOSA-N 2 2 318.421 1.019 50 0 DDAALP C[N@H+]1CCCC[C@@H]1C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000012835714 406853157 /nfs/dbraw/zinc/85/31/57/406853157.db2.gz DHOZBRDCELHRCV-OAHLLOKOSA-N 2 2 318.421 1.019 50 0 DDAALP C[NH+](C)C1(CNC(=O)c2ccnc(-n3cc[nH+]c3)c2)CCCC1 ZINC000050171078 407128498 /nfs/dbraw/zinc/12/84/98/407128498.db2.gz GXDHTFMVLHDVAA-UHFFFAOYSA-N 2 2 313.405 1.872 50 0 DDAALP CCCCSc1nc(N2CC[N@H+](C)[C@H](CO)C2)cc(N)[nH+]1 ZINC000095360269 407208826 /nfs/dbraw/zinc/20/88/26/407208826.db2.gz KHIOXIXSSNXDKH-NSHDSACASA-N 2 2 311.455 1.064 50 0 DDAALP CCCCSc1nc(N2CC[N@@H+](C)[C@H](CO)C2)cc(N)[nH+]1 ZINC000095360269 407208828 /nfs/dbraw/zinc/20/88/28/407208828.db2.gz KHIOXIXSSNXDKH-NSHDSACASA-N 2 2 311.455 1.064 50 0 DDAALP C[C@@H]1C[C@@H]([NH2+]CCc2nnc3n2CCCCC3)C[N@@H+]1C1CC1 ZINC000095410328 407213563 /nfs/dbraw/zinc/21/35/63/407213563.db2.gz CPOLRYPGLKMQGW-ZIAGYGMSSA-N 2 2 303.454 1.762 50 0 DDAALP C[C@@H]1C[C@@H]([NH2+]CCc2nnc3n2CCCCC3)C[N@H+]1C1CC1 ZINC000095410328 407213564 /nfs/dbraw/zinc/21/35/64/407213564.db2.gz CPOLRYPGLKMQGW-ZIAGYGMSSA-N 2 2 303.454 1.762 50 0 DDAALP CC[C@H](C(=O)N1CC[NH+]([C@@H](C)c2ccccn2)CC1)[NH+](C)C ZINC000095943418 407216324 /nfs/dbraw/zinc/21/63/24/407216324.db2.gz SDLMMNAJJPNOFN-GOEBONIOSA-N 2 2 304.438 1.627 50 0 DDAALP C[C@@H]1C[C@@H](Nc2cnn(CC[NH+]3CCOCC3)c2)C[N@@H+]1C1CC1 ZINC000096493825 407272092 /nfs/dbraw/zinc/27/20/92/407272092.db2.gz CHTOXKQMRVXJJI-HUUCEWRRSA-N 2 2 319.453 1.252 50 0 DDAALP C[C@@H]1C[C@@H](Nc2cnn(CC[NH+]3CCOCC3)c2)C[N@H+]1C1CC1 ZINC000096493825 407272094 /nfs/dbraw/zinc/27/20/94/407272094.db2.gz CHTOXKQMRVXJJI-HUUCEWRRSA-N 2 2 319.453 1.252 50 0 DDAALP COC(=O)[C@@H]1CC[N@H+](CC2(C[NH+]3CCOCC3)CCCCC2)C1 ZINC000096489882 407272781 /nfs/dbraw/zinc/27/27/81/407272781.db2.gz XWTSCJNHZZEYPL-MRXNPFEDSA-N 2 2 324.465 1.764 50 0 DDAALP COC(=O)[C@@H]1CC[N@@H+](CC2(C[NH+]3CCOCC3)CCCCC2)C1 ZINC000096489882 407272783 /nfs/dbraw/zinc/27/27/83/407272783.db2.gz XWTSCJNHZZEYPL-MRXNPFEDSA-N 2 2 324.465 1.764 50 0 DDAALP C[NH+]1CCC2(CC1)CN(C(=O)C[C@@H]1CCCC1=O)CCC[N@@H+]2C ZINC000067713737 407281293 /nfs/dbraw/zinc/28/12/93/407281293.db2.gz AXPGHQJYILDNNV-HNNXBMFYSA-N 2 2 321.465 1.374 50 0 DDAALP C[NH+]1CCC2(CC1)CN(C(=O)C[C@@H]1CCCC1=O)CCC[N@H+]2C ZINC000067713737 407281296 /nfs/dbraw/zinc/28/12/96/407281296.db2.gz AXPGHQJYILDNNV-HNNXBMFYSA-N 2 2 321.465 1.374 50 0 DDAALP CNS(=O)(=O)c1ccc(-c2[nH+]ccn2CCC[NH+](C)C)cc1 ZINC000067841110 407286509 /nfs/dbraw/zinc/28/65/09/407286509.db2.gz SJDQCUYXFMTYRX-UHFFFAOYSA-N 2 2 322.434 1.410 50 0 DDAALP Cc1cc(C)nc(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000097378717 407292609 /nfs/dbraw/zinc/29/26/09/407292609.db2.gz MXBCCKWGOYCHJP-UHFFFAOYSA-N 2 2 319.453 1.846 50 0 DDAALP Nc1nc(NCCCNc2cccnc2)cc([C@H]2C[C@@H]([NH3+])C2)[nH+]1 ZINC000243914732 407920491 /nfs/dbraw/zinc/92/04/91/407920491.db2.gz BKBYOYLBBMYJMN-TXEJJXNPSA-N 2 2 313.409 1.573 50 0 DDAALP CC(C)NS(=O)(=O)[C@@H]1CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000161947394 408652667 /nfs/dbraw/zinc/65/26/67/408652667.db2.gz PVIHBLIJKIEFMM-OAHLLOKOSA-N 2 2 317.499 1.265 50 0 DDAALP CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000161947394 408652680 /nfs/dbraw/zinc/65/26/80/408652680.db2.gz PVIHBLIJKIEFMM-OAHLLOKOSA-N 2 2 317.499 1.265 50 0 DDAALP CC[C@H]([NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1)C(=O)OC ZINC000192855657 408660757 /nfs/dbraw/zinc/66/07/57/408660757.db2.gz UDLYUDYGJPNZCJ-AWEZNQCLSA-N 2 2 306.410 1.603 50 0 DDAALP Cc1ccc(OCC[NH3+])c(C(=O)NCc2ccc[nH+]c2N)c1 ZINC000299788971 410628895 /nfs/dbraw/zinc/62/88/95/410628895.db2.gz VRIBRSCDMGQZKR-UHFFFAOYSA-N 2 2 300.362 1.240 50 0 DDAALP Cc1nc(C(F)(F)F)ncc1C[N@@H+]1CCO[C@H](CC[NH3+])C1 ZINC000426551801 419507197 /nfs/dbraw/zinc/50/71/97/419507197.db2.gz LSSPCDCMFGUBGN-LLVKDONJSA-N 2 2 304.316 1.353 50 0 DDAALP Cc1nc(C(F)(F)F)ncc1C[N@H+]1CCO[C@H](CC[NH3+])C1 ZINC000426551801 419507204 /nfs/dbraw/zinc/50/72/04/419507204.db2.gz LSSPCDCMFGUBGN-LLVKDONJSA-N 2 2 304.316 1.353 50 0 DDAALP CC(C)C[C@@H](NC(=O)C[N@H+](C)C1CC[NH2+]CC1)c1cccnc1 ZINC000670454797 484841043 /nfs/dbraw/zinc/84/10/43/484841043.db2.gz BESIKAWHEZTCBU-QGZVFWFLSA-N 2 2 318.465 1.969 50 0 DDAALP CC(C)C[C@@H](NC(=O)C[N@@H+](C)C1CC[NH2+]CC1)c1cccnc1 ZINC000670454797 484841048 /nfs/dbraw/zinc/84/10/48/484841048.db2.gz BESIKAWHEZTCBU-QGZVFWFLSA-N 2 2 318.465 1.969 50 0 DDAALP CC[C@H](O)C[NH+]1CCN(c2nc(N)cc(C(C)(C)C)[nH+]2)CC1 ZINC000585138730 753641180 /nfs/dbraw/zinc/64/11/80/753641180.db2.gz NGRLLEPUXVKWMI-LBPRGKRZSA-N 2 2 307.442 1.249 50 0 DDAALP C[N@H+](CC(=O)N1CCC2(CC[NH2+]CC2)CC1)Cc1cccnc1 ZINC000071767809 191028703 /nfs/dbraw/zinc/02/87/03/191028703.db2.gz FFMAYZNNIRBZIB-UHFFFAOYSA-N 2 2 316.449 1.506 50 0 DDAALP C[N@@H+](CC(=O)N1CCC2(CC[NH2+]CC2)CC1)Cc1cccnc1 ZINC000071767809 191028705 /nfs/dbraw/zinc/02/87/05/191028705.db2.gz FFMAYZNNIRBZIB-UHFFFAOYSA-N 2 2 316.449 1.506 50 0 DDAALP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2cccnc2C)nc[nH+]1 ZINC000072254079 191088406 /nfs/dbraw/zinc/08/84/06/191088406.db2.gz JWPXVMYSRPDCDG-OAHLLOKOSA-N 2 2 312.421 1.980 50 0 DDAALP CN(Cc1[nH+]ccn1Cc1ccccc1)C[C@]1(O)CC[NH2+]C1 ZINC000072432329 191164129 /nfs/dbraw/zinc/16/41/29/191164129.db2.gz UBAXQRDLQQFDDA-KRWDZBQOSA-N 2 2 300.406 1.088 50 0 DDAALP Cc1cc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](O)C2)oc1C ZINC000020774820 182246725 /nfs/dbraw/zinc/24/67/25/182246725.db2.gz HDWPJNGYJRPNCQ-IAGOWNOFSA-N 2 2 307.438 1.079 50 0 DDAALP Cc1cc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](O)C2)oc1C ZINC000020774820 182246726 /nfs/dbraw/zinc/24/67/26/182246726.db2.gz HDWPJNGYJRPNCQ-IAGOWNOFSA-N 2 2 307.438 1.079 50 0 DDAALP C[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(Cl)cc3)C[C@H]2O)CC1 ZINC000022852965 182337371 /nfs/dbraw/zinc/33/73/71/182337371.db2.gz IVKJKKBRMGKCLC-IAGOWNOFSA-N 2 2 323.868 1.523 50 0 DDAALP C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(Cl)cc3)C[C@H]2O)CC1 ZINC000022852965 182337373 /nfs/dbraw/zinc/33/73/73/182337373.db2.gz IVKJKKBRMGKCLC-IAGOWNOFSA-N 2 2 323.868 1.523 50 0 DDAALP O=C(C[NH+]1CCCC1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000023695130 182366440 /nfs/dbraw/zinc/36/64/40/182366440.db2.gz FUNXOFYODMXQPK-UHFFFAOYSA-N 2 2 303.406 1.553 50 0 DDAALP CCn1cc(C[N@@H+]2CCCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)cn1 ZINC000069585942 406739663 /nfs/dbraw/zinc/73/96/63/406739663.db2.gz SRVMBWGDBCDOKM-INIZCTEOSA-N 2 2 319.453 1.032 50 0 DDAALP CCn1cc(C[N@H+]2CCCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)cn1 ZINC000069585942 406739666 /nfs/dbraw/zinc/73/96/66/406739666.db2.gz SRVMBWGDBCDOKM-INIZCTEOSA-N 2 2 319.453 1.032 50 0 DDAALP CCn1cc(C[NH+]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cn1 ZINC000069585942 406739670 /nfs/dbraw/zinc/73/96/70/406739670.db2.gz SRVMBWGDBCDOKM-INIZCTEOSA-N 2 2 319.453 1.032 50 0 DDAALP CCn1cc(C[NH+]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)cn1 ZINC000069585942 406739676 /nfs/dbraw/zinc/73/96/76/406739676.db2.gz SRVMBWGDBCDOKM-INIZCTEOSA-N 2 2 319.453 1.032 50 0 DDAALP O=C1OCC[C@H]1[NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000069518171 406728908 /nfs/dbraw/zinc/72/89/08/406728908.db2.gz MOZQQTBKMDBHNQ-SJORKVTESA-N 2 2 318.417 1.337 50 0 DDAALP Cc1ccc(N2CC[NH+]([C@H](C)C(=O)NCC[NH+](C)C)CC2)cc1 ZINC000034668336 406963923 /nfs/dbraw/zinc/96/39/23/406963923.db2.gz CTFQQXGGRLJCNV-MRXNPFEDSA-N 2 2 318.465 1.183 50 0 DDAALP C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000053810023 407173518 /nfs/dbraw/zinc/17/35/18/407173518.db2.gz WTBHVKYONNMOFW-CQSZACIVSA-N 2 2 313.405 1.872 50 0 DDAALP C[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000053810023 407173521 /nfs/dbraw/zinc/17/35/21/407173521.db2.gz WTBHVKYONNMOFW-CQSZACIVSA-N 2 2 313.405 1.872 50 0 DDAALP Cc1cc(N2CC[NH+](CCOC[C@@H]3CCCO3)CC2)nc(C)[nH+]1 ZINC000096421082 407263102 /nfs/dbraw/zinc/26/31/02/407263102.db2.gz HGWXAJRJQLCLFD-INIZCTEOSA-N 2 2 320.437 1.411 50 0 DDAALP CCn1ccnc1C[N@@H+]1CCCC[C@H]1CCN1CC[NH+](C)CC1 ZINC000215391444 407484189 /nfs/dbraw/zinc/48/41/89/407484189.db2.gz HZVNYUPGQNERCY-KRWDZBQOSA-N 2 2 319.497 1.895 50 0 DDAALP CCn1ccnc1C[N@H+]1CCCC[C@H]1CCN1CC[NH+](C)CC1 ZINC000215391444 407484194 /nfs/dbraw/zinc/48/41/94/407484194.db2.gz HZVNYUPGQNERCY-KRWDZBQOSA-N 2 2 319.497 1.895 50 0 DDAALP COc1ccccc1C[NH+]1CCN(Cc2c[nH+]cn2C)CC1 ZINC000177044728 408504292 /nfs/dbraw/zinc/50/42/92/408504292.db2.gz LFSAFNKFQYWJCD-UHFFFAOYSA-N 2 2 300.406 1.747 50 0 DDAALP [NH3+][C@@H]1CCC[C@H](C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000299748157 410605894 /nfs/dbraw/zinc/60/58/94/410605894.db2.gz GGTGVJWUQYPXQA-XHSDSOJGSA-N 2 2 309.454 1.217 50 0 DDAALP Cc1[nH+]ccn1[C@H](C)CC(=O)N(C)CCCc1[nH+]ccn1C ZINC000426442832 419473778 /nfs/dbraw/zinc/47/37/78/419473778.db2.gz DTOOJBHYTXQBDW-CYBMUJFWSA-N 2 2 303.410 1.967 50 0 DDAALP CCOCC(=O)N1CC([N@H+](CC(C)C)C2CC[NH+](C)CC2)C1 ZINC000581799673 761706977 /nfs/dbraw/zinc/70/69/77/761706977.db2.gz HYEZETUVNUBKCR-UHFFFAOYSA-N 2 2 311.470 1.286 50 0 DDAALP CCOCC(=O)N1CC([N@@H+](CC(C)C)C2CC[NH+](C)CC2)C1 ZINC000581799673 761706979 /nfs/dbraw/zinc/70/69/79/761706979.db2.gz HYEZETUVNUBKCR-UHFFFAOYSA-N 2 2 311.470 1.286 50 0 DDAALP CC[NH+]1CCC(Nc2cc(N3CCC[C@@H]3CO)[nH+]cn2)CC1 ZINC000072276020 191096346 /nfs/dbraw/zinc/09/63/46/191096346.db2.gz JETRRIUEGCGDLG-CQSZACIVSA-N 2 2 305.426 1.334 50 0 DDAALP CC[NH+]1CCC(Nc2cc(N3CCC[C@@H]3CO)nc[nH+]2)CC1 ZINC000072276020 191096349 /nfs/dbraw/zinc/09/63/49/191096349.db2.gz JETRRIUEGCGDLG-CQSZACIVSA-N 2 2 305.426 1.334 50 0 DDAALP CCCC(=O)N1CCN(c2cc(-n3cc[nH+]c3C)nc[nH+]2)CC1 ZINC000072434177 191166022 /nfs/dbraw/zinc/16/60/22/191166022.db2.gz GRYULCCQZWFVJZ-UHFFFAOYSA-N 2 2 314.393 1.419 50 0 DDAALP CN(CCn1cc[nH+]c1)C(=O)c1ccc(C[NH+]2CCCC2)o1 ZINC000584892931 354795027 /nfs/dbraw/zinc/79/50/27/354795027.db2.gz UAUVOROZOBDUDK-UHFFFAOYSA-N 2 2 302.378 1.844 50 0 DDAALP c1[nH]cc(CCNc2ncnc3sc4c(c32)CC[NH2+]C4)[nH+]1 ZINC000065381716 184331845 /nfs/dbraw/zinc/33/18/45/184331845.db2.gz KHCHKSZTAGGTGM-UHFFFAOYSA-N 2 2 300.391 1.715 50 0 DDAALP c1[nH]c(CCNc2ncnc3sc4c(c32)CC[NH2+]C4)c[nH+]1 ZINC000065381716 184331846 /nfs/dbraw/zinc/33/18/46/184331846.db2.gz KHCHKSZTAGGTGM-UHFFFAOYSA-N 2 2 300.391 1.715 50 0 DDAALP c1cc2n(n1)C[C@H](C[NH2+]Cc1cccnc1-n1cc[nH+]c1)CN2 ZINC000069443046 406711712 /nfs/dbraw/zinc/71/17/12/406711712.db2.gz KBURKWALLVSOQL-CYBMUJFWSA-N 2 2 309.377 1.295 50 0 DDAALP C[C@@H](O)C[N@@H+]1CCN(Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C ZINC000075129318 406923608 /nfs/dbraw/zinc/92/36/08/406923608.db2.gz HSIHCRXTKHQJMH-HZPDHXFCSA-N 2 2 314.433 1.759 50 0 DDAALP C[C@@H](O)C[N@H+]1CCN(Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C ZINC000075129318 406923609 /nfs/dbraw/zinc/92/36/09/406923609.db2.gz HSIHCRXTKHQJMH-HZPDHXFCSA-N 2 2 314.433 1.759 50 0 DDAALP COC(=O)c1occc1C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000089382690 407132686 /nfs/dbraw/zinc/13/26/86/407132686.db2.gz SRVPRPIJGRSMAH-UHFFFAOYSA-N 2 2 309.410 1.136 50 0 DDAALP COC(=O)c1occc1C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000089382690 407132688 /nfs/dbraw/zinc/13/26/88/407132688.db2.gz SRVPRPIJGRSMAH-UHFFFAOYSA-N 2 2 309.410 1.136 50 0 DDAALP CN(C)c1[nH+]cc(C[NH2+][C@H]2CCCN(c3cccnn3)C2)n1C ZINC000253425288 407446439 /nfs/dbraw/zinc/44/64/39/407446439.db2.gz RWLKGFHMYWQAMZ-ZDUSSCGKSA-N 2 2 315.425 1.035 50 0 DDAALP CC(C)C[N@@H+]1CCO[C@@H](C[NH+]2CCC[C@@H](c3cc[nH]n3)C2)C1 ZINC000229748984 407672155 /nfs/dbraw/zinc/67/21/55/407672155.db2.gz FWVCFYHZWSCPQO-CVEARBPZSA-N 2 2 306.454 1.946 50 0 DDAALP CC(C)C[N@H+]1CCO[C@@H](C[NH+]2CCC[C@@H](c3cc[nH]n3)C2)C1 ZINC000229748984 407672162 /nfs/dbraw/zinc/67/21/62/407672162.db2.gz FWVCFYHZWSCPQO-CVEARBPZSA-N 2 2 306.454 1.946 50 0 DDAALP CC(C)C[NH+]1CCO[C@@H](C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)C1 ZINC000229748984 407672168 /nfs/dbraw/zinc/67/21/68/407672168.db2.gz FWVCFYHZWSCPQO-CVEARBPZSA-N 2 2 306.454 1.946 50 0 DDAALP CC(C)C[NH+]1CCO[C@@H](C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)C1 ZINC000229748984 407672174 /nfs/dbraw/zinc/67/21/74/407672174.db2.gz FWVCFYHZWSCPQO-CVEARBPZSA-N 2 2 306.454 1.946 50 0 DDAALP Cc1cc(N2CC[NH+](Cc3ccccc3F)CC2)nc(N)[nH+]1 ZINC000045724238 418442015 /nfs/dbraw/zinc/44/20/15/418442015.db2.gz AHKARDBLFIAKOH-UHFFFAOYSA-N 2 2 301.369 1.829 50 0 DDAALP CC[C@@H]1CN(C(=O)[C@H](C)n2cc[nH+]c2)C[C@H]1[NH+]1CCOCC1 ZINC000107354674 418498709 /nfs/dbraw/zinc/49/87/09/418498709.db2.gz BDSHWZZAHMBHBU-RRFJBIMHSA-N 2 2 306.410 1.013 50 0 DDAALP Cc1nccc(N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)n1 ZINC000222101427 490699012 /nfs/dbraw/zinc/69/90/12/490699012.db2.gz ACCRXBCQAKCXQA-SJORKVTESA-N 2 2 310.401 1.875 50 0 DDAALP Cc1nc(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)cc[nH+]1 ZINC000222101427 490699016 /nfs/dbraw/zinc/69/90/16/490699016.db2.gz ACCRXBCQAKCXQA-SJORKVTESA-N 2 2 310.401 1.875 50 0 DDAALP Cc1nc(N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)cc[nH+]1 ZINC000222101427 490699019 /nfs/dbraw/zinc/69/90/19/490699019.db2.gz ACCRXBCQAKCXQA-SJORKVTESA-N 2 2 310.401 1.875 50 0 DDAALP Cc1c[nH+]c(NCCC[N@@H+]2CCC[C@H](CO)C2)nc1N(C)C ZINC000828711066 759747108 /nfs/dbraw/zinc/74/71/08/759747108.db2.gz AMYKOAVHWAGOSZ-AWEZNQCLSA-N 2 2 307.442 1.357 50 0 DDAALP Cc1c[nH+]c(NCCC[N@H+]2CCC[C@H](CO)C2)nc1N(C)C ZINC000828711066 759747115 /nfs/dbraw/zinc/74/71/15/759747115.db2.gz AMYKOAVHWAGOSZ-AWEZNQCLSA-N 2 2 307.442 1.357 50 0 DDAALP COCCn1cc[nH+]c1C1CCN(c2nc(N)cc[nH+]2)CC1 ZINC000095518103 185376884 /nfs/dbraw/zinc/37/68/84/185376884.db2.gz JHKKNBLVQBFJCF-UHFFFAOYSA-N 2 2 302.382 1.286 50 0 DDAALP C[C@@H](C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)[NH+]1CCSCC1 ZINC000095435578 185364509 /nfs/dbraw/zinc/36/45/09/185364509.db2.gz PRSORINBONCPGT-UONOGXRCSA-N 2 2 320.462 1.214 50 0 DDAALP CN1CC[N@H+](C)C[C@H]1C[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000095437371 185365367 /nfs/dbraw/zinc/36/53/67/185365367.db2.gz ZVPDFLIIYWCPAU-GFCCVEGCSA-N 2 2 317.355 1.763 50 0 DDAALP CN1CC[N@@H+](C)C[C@H]1C[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000095437371 185365368 /nfs/dbraw/zinc/36/53/68/185365368.db2.gz ZVPDFLIIYWCPAU-GFCCVEGCSA-N 2 2 317.355 1.763 50 0 DDAALP C[C@H](CNc1nc(N)c2ccccc2[nH+]1)C[NH+]1CCOCC1 ZINC000097031863 185398981 /nfs/dbraw/zinc/39/89/81/185398981.db2.gz OETZRMHVNHMFPC-GFCCVEGCSA-N 2 2 301.394 1.592 50 0 DDAALP C[N@H+](Cc1cc2n(n1)CC[NH2+]C2)Cc1ccc2c(c1)OCO2 ZINC000072145491 191050840 /nfs/dbraw/zinc/05/08/40/191050840.db2.gz NRSPWHXFZPYTJP-UHFFFAOYSA-N 2 2 300.362 1.347 50 0 DDAALP C[N@@H+](Cc1cc2n(n1)CC[NH2+]C2)Cc1ccc2c(c1)OCO2 ZINC000072145491 191050842 /nfs/dbraw/zinc/05/08/42/191050842.db2.gz NRSPWHXFZPYTJP-UHFFFAOYSA-N 2 2 300.362 1.347 50 0 DDAALP c1ccc(C[NH+]2CCO[C@@H](CN[C@@H]3CC[N@@H+](C4CC4)C3)C2)cc1 ZINC000075093149 353346470 /nfs/dbraw/zinc/34/64/70/353346470.db2.gz DGRPSFXYMARBPA-MJGOQNOKSA-N 2 2 315.461 1.714 50 0 DDAALP c1ccc(C[NH+]2CCO[C@@H](CN[C@@H]3CC[N@H+](C4CC4)C3)C2)cc1 ZINC000075093149 353346474 /nfs/dbraw/zinc/34/64/74/353346474.db2.gz DGRPSFXYMARBPA-MJGOQNOKSA-N 2 2 315.461 1.714 50 0 DDAALP c1ccc(C[N@@H+]2CCO[C@@H](CN[C@@H]3CC[NH+](C4CC4)C3)C2)cc1 ZINC000075093149 353346479 /nfs/dbraw/zinc/34/64/79/353346479.db2.gz DGRPSFXYMARBPA-MJGOQNOKSA-N 2 2 315.461 1.714 50 0 DDAALP c1ccc(C[N@H+]2CCO[C@@H](CN[C@@H]3CC[NH+](C4CC4)C3)C2)cc1 ZINC000075093149 353346480 /nfs/dbraw/zinc/34/64/80/353346480.db2.gz DGRPSFXYMARBPA-MJGOQNOKSA-N 2 2 315.461 1.714 50 0 DDAALP O=C(N[C@H](CO)C1CCCCC1)[C@@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000395415883 354650463 /nfs/dbraw/zinc/65/04/63/354650463.db2.gz JXALFSXHOVWIFN-SJORKVTESA-N 2 2 323.481 1.260 50 0 DDAALP O=C(N[C@H](CO)C1CCCCC1)[C@@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000395415883 354650467 /nfs/dbraw/zinc/65/04/67/354650467.db2.gz JXALFSXHOVWIFN-SJORKVTESA-N 2 2 323.481 1.260 50 0 DDAALP CC[NH+]1CCN(C(=O)c2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000004813669 181155135 /nfs/dbraw/zinc/15/51/35/181155135.db2.gz NFJDBIJKJOLKRQ-UHFFFAOYSA-N 2 2 317.433 1.297 50 0 DDAALP C[NH+](C)[C@H](C(=O)NCC[NH+]1CCC(O)CC1)c1cccc(F)c1 ZINC000095380300 257271920 /nfs/dbraw/zinc/27/19/20/257271920.db2.gz HCTQJGBVFIKNGG-INIZCTEOSA-N 2 2 323.412 1.001 50 0 DDAALP C[C@@H](C1CC[NH+](Cc2nccn2C)CC1)[NH+]1CCN(C)CC1 ZINC000077537416 406995690 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COc1ccc(C[NH+]2CCN3CC[N@@H+](C)C[C@H]3C2)cc1OC ZINC000215770201 407489136 /nfs/dbraw/zinc/48/91/36/407489136.db2.gz NHRONYHMTYHFFU-HNNXBMFYSA-N 2 2 305.422 1.135 50 0 DDAALP CCc1ncc(CN2CC[NH+](C3CC[NH+](C)CC3)CC2)cn1 ZINC000216416163 407493916 /nfs/dbraw/zinc/49/39/16/407493916.db2.gz XWUDGRUIPTXZHT-UHFFFAOYSA-N 2 2 303.454 1.251 50 0 DDAALP C[C@@H]1C[C@H]([NH2+]CCc2nnc3n2CCCCC3)C[N@@H+]1C1CC1 ZINC000095410326 278025742 /nfs/dbraw/zinc/02/57/42/278025742.db2.gz CPOLRYPGLKMQGW-KGLIPLIRSA-N 2 2 303.454 1.762 50 0 DDAALP C[C@@H]1C[C@H]([NH2+]CCc2nnc3n2CCCCC3)C[N@H+]1C1CC1 ZINC000095410326 278025745 /nfs/dbraw/zinc/02/57/45/278025745.db2.gz CPOLRYPGLKMQGW-KGLIPLIRSA-N 2 2 303.454 1.762 50 0 DDAALP CCCCc1[nH]c2ccc(NC(=O)[C@H]3C[NH2+]CCO3)cc2[nH+]1 ZINC000188087931 484116583 /nfs/dbraw/zinc/11/65/83/484116583.db2.gz BCYNJVRKKPGNIR-CQSZACIVSA-N 2 2 302.378 1.832 50 0 DDAALP CC[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@@H]1[NH+]1CCOCC1 ZINC000084735799 353727411 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c1ccc([C@H](C[NH2+][C@H]2C[NH+]3CCC2CC3)N2CCOCC2)cc1 ZINC000096013557 296618754 /nfs/dbraw/zinc/61/87/54/296618754.db2.gz QDDHRSHRUMNLHN-OALUTQOASA-N 2 2 315.461 1.744 50 0 DDAALP CC[N@H+](C)CCNC(=O)NCc1ccc[nH+]c1N1CCCCC1 ZINC000069580780 406737006 /nfs/dbraw/zinc/73/70/06/406737006.db2.gz WJJIDTLMSJWXQV-UHFFFAOYSA-N 2 2 319.453 1.823 50 0 DDAALP CC[N@@H+](C)CCNC(=O)NCc1ccc[nH+]c1N1CCCCC1 ZINC000069580780 406737011 /nfs/dbraw/zinc/73/70/11/406737011.db2.gz WJJIDTLMSJWXQV-UHFFFAOYSA-N 2 2 319.453 1.823 50 0 DDAALP CCn1cc[nH+]c1CN1CCCN(C(=O)C[N@H+](C)C2CC2)CC1 ZINC000069947441 406793799 /nfs/dbraw/zinc/79/37/99/406793799.db2.gz BHRUTFKYISIZJV-UHFFFAOYSA-N 2 2 319.453 1.032 50 0 DDAALP CCn1cc[nH+]c1CN1CCCN(C(=O)C[N@@H+](C)C2CC2)CC1 ZINC000069947441 406793804 /nfs/dbraw/zinc/79/38/04/406793804.db2.gz BHRUTFKYISIZJV-UHFFFAOYSA-N 2 2 319.453 1.032 50 0 DDAALP [NH3+][C@@H](Cc1ccccc1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000011961823 406833641 /nfs/dbraw/zinc/83/36/41/406833641.db2.gz 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DDAALP CO[C@@H]1C[NH+](C[C@@H](O)C[N@H+]2CC[C@H](C)[C@H](OC)C2)CC[C@H]1C ZINC000248734699 408626104 /nfs/dbraw/zinc/62/61/04/408626104.db2.gz MKRAFFRSKJUYER-ZHCJQAHYSA-N 2 2 314.470 1.061 50 0 DDAALP CO[C@@H]1C[N@H+](C[C@@H](O)C[NH+]2CC[C@H](C)[C@H](OC)C2)CC[C@H]1C ZINC000248734699 408626107 /nfs/dbraw/zinc/62/61/07/408626107.db2.gz MKRAFFRSKJUYER-ZHCJQAHYSA-N 2 2 314.470 1.061 50 0 DDAALP CO[C@@H]1C[N@@H+](C[C@@H](O)C[NH+]2CC[C@H](C)[C@H](OC)C2)CC[C@H]1C ZINC000248734699 408626112 /nfs/dbraw/zinc/62/61/12/408626112.db2.gz MKRAFFRSKJUYER-ZHCJQAHYSA-N 2 2 314.470 1.061 50 0 DDAALP Cc1ccc2[nH]c(CCCNC(=O)[C@@H]3C[NH2+]CCO3)[nH+]c2c1C ZINC000299801369 410638077 /nfs/dbraw/zinc/63/80/77/410638077.db2.gz WWKQJMQWZSGFNT-AWEZNQCLSA-N 2 2 316.405 1.217 50 0 DDAALP Cc1cc(C)n(CCNc2cc(C3CC([NH3+])C3)[nH+]c(N)n2)n1 ZINC000223568167 484154338 /nfs/dbraw/zinc/15/43/38/484154338.db2.gz IVUPOPUOBDPRSV-UHFFFAOYSA-N 2 2 301.398 1.189 50 0 DDAALP O=C(NC[C@H]1C[NH2+]Cc2ccccc21)[C@H]1CCn2cc[nH+]c2C1 ZINC000888101001 709213662 /nfs/dbraw/zinc/21/36/62/709213662.db2.gz NGGHJTXUMDRAIZ-DZGCQCFKSA-N 2 2 310.401 1.449 50 0 DDAALP OCCO[C@H]1CCOC[C@H]1[NH2+]C1CC[NH+](Cc2ccco2)CC1 ZINC000220719957 539265052 /nfs/dbraw/zinc/26/50/52/539265052.db2.gz YFDGNBYKJIZGAL-SJORKVTESA-N 2 2 324.421 1.000 50 0 DDAALP COc1cc(C[NH2+]CCC[NH+]2CCOCC2)cc(OC)c1OC ZINC000004700425 181139199 /nfs/dbraw/zinc/13/91/99/181139199.db2.gz HHGBVGXQAOVTMB-UHFFFAOYSA-N 2 2 324.421 1.524 50 0 DDAALP C[NH+](C)CC[C@@H]1C[N@H+](Cc2cccn2-c2ncccn2)CCO1 ZINC000020776874 182246773 /nfs/dbraw/zinc/24/67/73/182246773.db2.gz WPOLKNZPSLEANG-MRXNPFEDSA-N 2 2 315.421 1.420 50 0 DDAALP C[NH+](C)CC[C@@H]1C[N@@H+](Cc2cccn2-c2ncccn2)CCO1 ZINC000020776874 182246774 /nfs/dbraw/zinc/24/67/74/182246774.db2.gz WPOLKNZPSLEANG-MRXNPFEDSA-N 2 2 315.421 1.420 50 0 DDAALP C[C@@H]1C[N@H+](CC2(O)CCCCC2)CCN1Cc1[nH+]ccn1C ZINC000069442904 406712164 /nfs/dbraw/zinc/71/21/64/406712164.db2.gz NNPQIKUAMFHKHN-OAHLLOKOSA-N 2 2 306.454 1.621 50 0 DDAALP C[C@@H]1C[N@@H+](CC2(O)CCCCC2)CCN1Cc1[nH+]ccn1C ZINC000069442904 406712168 /nfs/dbraw/zinc/71/21/68/406712168.db2.gz NNPQIKUAMFHKHN-OAHLLOKOSA-N 2 2 306.454 1.621 50 0 DDAALP C[NH+]1CCC([N@@H+]2CCC[C@@H](NC(=O)CC(F)(F)F)C2)CC1 ZINC000015076427 406878413 /nfs/dbraw/zinc/87/84/13/406878413.db2.gz DOPALCJDWMRTPR-LLVKDONJSA-N 2 2 307.360 1.614 50 0 DDAALP C[NH+]1CCC([N@H+]2CCC[C@@H](NC(=O)CC(F)(F)F)C2)CC1 ZINC000015076427 406878415 /nfs/dbraw/zinc/87/84/15/406878415.db2.gz DOPALCJDWMRTPR-LLVKDONJSA-N 2 2 307.360 1.614 50 0 DDAALP O[C@]1(C[NH+]2CCN(c3nsc4ccccc43)CC2)CC[NH2+]C1 ZINC000077516293 406994590 /nfs/dbraw/zinc/99/45/90/406994590.db2.gz MIWZKJLWPFJZBZ-MRXNPFEDSA-N 2 2 318.446 1.143 50 0 DDAALP Cc1ccn2cc(CNC(=O)CC3CC[NH+](C)CC3)[nH+]c2c1 ZINC000096013686 407224563 /nfs/dbraw/zinc/22/45/63/407224563.db2.gz HZMYQIQBGNSCOL-UHFFFAOYSA-N 2 2 300.406 1.991 50 0 DDAALP CCCC[C@@H](C(N)=O)[NH+]1CCN(c2cc[nH+]cc2Cl)CC1 ZINC000096487497 407272580 /nfs/dbraw/zinc/27/25/80/407272580.db2.gz 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407291329 /nfs/dbraw/zinc/29/13/29/407291329.db2.gz MADJHJLRSHTTNF-UHFFFAOYSA-N 2 2 319.453 1.149 50 0 DDAALP CC(C)(C[NH+]1CCCC1)C[NH+]1CCN(c2cnccn2)CC1 ZINC000215174223 407481518 /nfs/dbraw/zinc/48/15/18/407481518.db2.gz IAQPNRREEWZSQW-UHFFFAOYSA-N 2 2 303.454 1.721 50 0 DDAALP c1ccc(C[NH+]2CCO[C@H](CN[C@H]3CC[N@@H+](C4CC4)C3)C2)cc1 ZINC000230164239 407681000 /nfs/dbraw/zinc/68/10/00/407681000.db2.gz DGRPSFXYMARBPA-PKOBYXMFSA-N 2 2 315.461 1.714 50 0 DDAALP c1ccc(C[NH+]2CCO[C@H](CN[C@H]3CC[N@H+](C4CC4)C3)C2)cc1 ZINC000230164239 407681006 /nfs/dbraw/zinc/68/10/06/407681006.db2.gz DGRPSFXYMARBPA-PKOBYXMFSA-N 2 2 315.461 1.714 50 0 DDAALP c1ccc(C[N@@H+]2CCO[C@H](CN[C@H]3CC[NH+](C4CC4)C3)C2)cc1 ZINC000230164239 407681013 /nfs/dbraw/zinc/68/10/13/407681013.db2.gz DGRPSFXYMARBPA-PKOBYXMFSA-N 2 2 315.461 1.714 50 0 DDAALP c1ccc(C[N@H+]2CCO[C@H](CN[C@H]3CC[NH+](C4CC4)C3)C2)cc1 ZINC000230164239 407681016 /nfs/dbraw/zinc/68/10/16/407681016.db2.gz DGRPSFXYMARBPA-PKOBYXMFSA-N 2 2 315.461 1.714 50 0 DDAALP c1[nH]nc2cc(C[N@H+]3CC[C@H](C[NH+]4CCOCC4)C3)ccc12 ZINC000130988776 407717540 /nfs/dbraw/zinc/71/75/40/407717540.db2.gz XRIITAXIPQLSAD-OAHLLOKOSA-N 2 2 300.406 1.717 50 0 DDAALP c1[nH]nc2cc(C[N@@H+]3CC[C@H](C[NH+]4CCOCC4)C3)ccc12 ZINC000130988776 407717545 /nfs/dbraw/zinc/71/75/45/407717545.db2.gz XRIITAXIPQLSAD-OAHLLOKOSA-N 2 2 300.406 1.717 50 0 DDAALP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@H](O)Cn2cccn2)C1 ZINC000171634794 407726434 /nfs/dbraw/zinc/72/64/34/407726434.db2.gz UYIZPMCCBHYZEC-CABCVRRESA-N 2 2 303.410 1.340 50 0 DDAALP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@H](O)Cn2cccn2)C1 ZINC000171634794 407726439 /nfs/dbraw/zinc/72/64/39/407726439.db2.gz UYIZPMCCBHYZEC-CABCVRRESA-N 2 2 303.410 1.340 50 0 DDAALP Cc1c[nH+]ccc1NC(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000133345848 407832748 /nfs/dbraw/zinc/83/27/48/407832748.db2.gz DJQVGXWYMBNKPX-CQSZACIVSA-N 2 2 304.394 1.576 50 0 DDAALP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C1(CO)CCOCC1 ZINC000190999330 163168714 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CC[NH+]1CCC(CNC(=O)c2ccc(O)cc2C)([NH+](C)C)CC1 ZINC000223515868 484153884 /nfs/dbraw/zinc/15/38/84/484153884.db2.gz GSVVQVWSYAGTGD-UHFFFAOYSA-N 2 2 319.449 1.847 50 0 DDAALP Nc1nc(N[C@H](CO)Cc2ccccc2)cc(C2CC([NH3+])C2)[nH+]1 ZINC000220750027 490698434 /nfs/dbraw/zinc/69/84/34/490698434.db2.gz LLEMIFFNPWKCRS-RUXDESIVSA-N 2 2 313.405 1.279 50 0 DDAALP C[NH+](C)C[C@]1(O)CCN(Cc2c[nH+]cn2C2CCCCC2)C1 ZINC000072131846 696393290 /nfs/dbraw/zinc/39/32/90/696393290.db2.gz SWXARVHGBGSBFM-QGZVFWFLSA-N 2 2 306.454 1.887 50 0 DDAALP COc1ccccc1-c1ncc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)s1 ZINC000082162110 185174363 /nfs/dbraw/zinc/17/43/63/185174363.db2.gz YUSQDGZLTBDEEU-ZIAGYGMSSA-N 2 2 319.430 1.713 50 0 DDAALP COc1ccccc1-c1ncc(C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)s1 ZINC000082162110 185174364 /nfs/dbraw/zinc/17/43/64/185174364.db2.gz YUSQDGZLTBDEEU-ZIAGYGMSSA-N 2 2 319.430 1.713 50 0 DDAALP Cc1cc(NC(=O)CC[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)no1 ZINC000095428227 185362390 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DDAALP Cc1ccnc(C[C@@H](C)[N@@H+](C)CC(=O)N2CC[NH+](C)CC2)c1 ZINC000244633488 407926448 /nfs/dbraw/zinc/92/64/48/407926448.db2.gz GDWGBZXERIZAHP-OAHLLOKOSA-N 2 2 304.438 1.027 50 0 DDAALP COc1ccc(C(=O)NCC2([NH+](C)C)CC[NH+](C)CC2)c(F)c1 ZINC000244795889 407939277 /nfs/dbraw/zinc/93/92/77/407939277.db2.gz RPGQTMWHJQUMCT-UHFFFAOYSA-N 2 2 323.412 1.590 50 0 DDAALP CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCC[C@@H]2n2cc[nH+]c2)C1 ZINC000252512783 408803757 /nfs/dbraw/zinc/80/37/57/408803757.db2.gz VNTPSWWYDCOCES-JYJNAYRXSA-N 2 2 319.453 1.960 50 0 DDAALP CC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCC[C@@H]2n2cc[nH+]c2)C1 ZINC000252512783 408803761 /nfs/dbraw/zinc/80/37/61/408803761.db2.gz VNTPSWWYDCOCES-JYJNAYRXSA-N 2 2 319.453 1.960 50 0 DDAALP Cc1nn(CCO)c(C)c1C[NH2+]C[C@@H]1CCCn2cc[nH+]c21 ZINC000084013892 483988249 /nfs/dbraw/zinc/98/82/49/483988249.db2.gz QQDKVWDLOOJTKW-AWEZNQCLSA-N 2 2 303.410 1.356 50 0 DDAALP COc1ccc(C(=O)N2CC[NH+](C[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000072147289 191052316 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Cc1nnnn1CCC[N@@H+]1C[C@H]2CC[C@H](C[NH+]2CC2CC2)C1 ZINC000091593256 193076108 /nfs/dbraw/zinc/07/61/08/193076108.db2.gz LUXGSUWKIIFOMI-JKSUJKDBSA-N 2 2 304.442 1.178 50 0 DDAALP Cc1nnnn1CCC[NH+]1C[C@H]2CC[C@H](C[N@H+]2CC2CC2)C1 ZINC000091593256 193076110 /nfs/dbraw/zinc/07/61/10/193076110.db2.gz LUXGSUWKIIFOMI-JKSUJKDBSA-N 2 2 304.442 1.178 50 0 DDAALP Cc1nnnn1CCC[NH+]1C[C@H]2CC[C@H](C[N@@H+]2CC2CC2)C1 ZINC000091593256 193076112 /nfs/dbraw/zinc/07/61/12/193076112.db2.gz LUXGSUWKIIFOMI-JKSUJKDBSA-N 2 2 304.442 1.178 50 0 DDAALP CC[N@@H+]1CCc2nc[nH]c2C12CCN(c1cc(N)[nH+]cn1)CC2 ZINC000091779164 193105794 /nfs/dbraw/zinc/10/57/94/193105794.db2.gz GKNIMRWJTIMWGY-UHFFFAOYSA-N 2 2 313.409 1.156 50 0 DDAALP CC[N@H+]1CCc2nc[nH]c2C12CCN(c1cc(N)[nH+]cn1)CC2 ZINC000091779164 193105795 /nfs/dbraw/zinc/10/57/95/193105795.db2.gz GKNIMRWJTIMWGY-UHFFFAOYSA-N 2 2 313.409 1.156 50 0 DDAALP C[NH+](C)CCN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CCCC1 ZINC000092125002 193165818 /nfs/dbraw/zinc/16/58/18/193165818.db2.gz ZRPJLRMHBMQVDZ-CQSZACIVSA-N 2 2 304.438 1.778 50 0 DDAALP COc1cc(C[NH2+][C@H](C)Cn2cc[nH+]c2)cc2c1OCCO2 ZINC000030909806 406935179 /nfs/dbraw/zinc/93/51/79/406935179.db2.gz OGNYMSKAKWFKJO-GFCCVEGCSA-N 2 2 303.362 1.841 50 0 DDAALP C[C@H]1CCC[N@H+](CCNC(=O)NCc2ccc(N(C)C)[nH+]c2)C1 ZINC000044969296 407036308 /nfs/dbraw/zinc/03/63/08/407036308.db2.gz AGHCHECSIBHJMM-AWEZNQCLSA-N 2 2 319.453 1.679 50 0 DDAALP C[C@H]1CCC[N@@H+](CCNC(=O)NCc2ccc(N(C)C)[nH+]c2)C1 ZINC000044969296 407036310 /nfs/dbraw/zinc/03/63/10/407036310.db2.gz AGHCHECSIBHJMM-AWEZNQCLSA-N 2 2 319.453 1.679 50 0 DDAALP C[N@H+](Cc1ccsc1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000095982338 407220120 /nfs/dbraw/zinc/22/01/20/407220120.db2.gz HALGSRAKHTZXQO-UHFFFAOYSA-N 2 2 317.462 1.922 50 0 DDAALP C[N@@H+](Cc1ccsc1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000095982338 407220121 /nfs/dbraw/zinc/22/01/21/407220121.db2.gz HALGSRAKHTZXQO-UHFFFAOYSA-N 2 2 317.462 1.922 50 0 DDAALP CCN(CC)C(=O)[C@@H]1C[C@H]([NH3+])C[N@@H+]1C1Cc2ccccc2C1 ZINC000067690855 407280280 /nfs/dbraw/zinc/28/02/80/407280280.db2.gz OVLVOFDPSSNZKO-RDJZCZTQSA-N 2 2 301.434 1.424 50 0 DDAALP CCN(CC)C(=O)[C@@H]1C[C@H]([NH3+])C[N@H+]1C1Cc2ccccc2C1 ZINC000067690855 407280282 /nfs/dbraw/zinc/28/02/82/407280282.db2.gz OVLVOFDPSSNZKO-RDJZCZTQSA-N 2 2 301.434 1.424 50 0 DDAALP CC(C)=CC(=O)NCC[C@@H]1C[N@H+](C2CC[NH+](C)CC2)CCO1 ZINC000067947836 407291650 /nfs/dbraw/zinc/29/16/50/407291650.db2.gz BESOMVKJDABYEX-MRXNPFEDSA-N 2 2 309.454 1.254 50 0 DDAALP CC(C)=CC(=O)NCC[C@@H]1C[N@@H+](C2CC[NH+](C)CC2)CCO1 ZINC000067947836 407291651 /nfs/dbraw/zinc/29/16/51/407291651.db2.gz BESOMVKJDABYEX-MRXNPFEDSA-N 2 2 309.454 1.254 50 0 DDAALP CC(C)n1cnnc1CN(C)c1cc(C2CC([NH3+])C2)[nH+]c(N)n1 ZINC000219948378 407536010 /nfs/dbraw/zinc/53/60/10/407536010.db2.gz PXWMDRFOQUYQQT-UHFFFAOYSA-N 2 2 316.413 1.072 50 0 DDAALP C[C@H](O)C[N@@H+]1CCN(Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C ZINC000247093961 222227437 /nfs/dbraw/zinc/22/74/37/222227437.db2.gz HSIHCRXTKHQJMH-CVEARBPZSA-N 2 2 314.433 1.759 50 0 DDAALP C[C@H](O)C[N@H+]1CCN(Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C ZINC000247093961 222227439 /nfs/dbraw/zinc/22/74/39/222227439.db2.gz HSIHCRXTKHQJMH-CVEARBPZSA-N 2 2 314.433 1.759 50 0 DDAALP c1ccc(OCC[NH+]2CCOCC2)c(C[NH2+][C@@H]2CCSC2)c1 ZINC000096476743 304854958 /nfs/dbraw/zinc/85/49/58/304854958.db2.gz SIGQJAIJGVMDIY-MRXNPFEDSA-N 2 2 322.474 1.993 50 0 DDAALP C[C@@H](Cn1cc[nH+]c1)[NH2+]CC1(N2CC[NH+](C)CC2)CCCC1 ZINC000534640035 334310788 /nfs/dbraw/zinc/31/07/88/334310788.db2.gz SCUWDHZPKNJVJZ-INIZCTEOSA-N 3 2 305.470 1.421 50 0 DDAALP CCCS(=O)(=O)NC[C@@H](C)[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000534658811 334314857 /nfs/dbraw/zinc/31/48/57/334314857.db2.gz HZMCEUZXFFYLFR-CYBMUJFWSA-N 2 2 324.450 1.450 50 0 DDAALP CC(C)[C@H](NC(=O)CCC[NH+]1CCOCC1)c1[nH+]ccn1C ZINC000534661395 334322044 /nfs/dbraw/zinc/32/20/44/334322044.db2.gz HGRHRGUSOPEVOD-HNNXBMFYSA-N 2 2 308.426 1.346 50 0 DDAALP Cc1ccccc1[C@@H](C(=O)N1CC[NH+](CCCO)CC1)[NH+](C)C ZINC000095501864 185375221 /nfs/dbraw/zinc/37/52/21/185375221.db2.gz QEFIYIZRERKZOV-KRWDZBQOSA-N 2 2 319.449 1.124 50 0 DDAALP C[NH2+]C[C@H]1CCN(C(=O)/C=C\c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000255423591 282256489 /nfs/dbraw/zinc/25/64/89/282256489.db2.gz WRIIQPKWKKMDPD-HQQUCIOCSA-N 2 2 310.401 1.953 50 0 DDAALP c1cn(CCNc2nc(-c3cccnc3)nc3c2CC[NH2+]C3)c[nH+]1 ZINC000072157391 191061343 /nfs/dbraw/zinc/06/13/43/191061343.db2.gz XWPGRSUBBWNKIK-UHFFFAOYSA-N 2 2 321.388 1.493 50 0 DDAALP COCC[N@H+](C)C[C@@H]1C[NH+](Cc2ccc(C)cc2F)C[C@@H]1CO ZINC000091536940 193070477 /nfs/dbraw/zinc/07/04/77/193070477.db2.gz ZZRHBAONQSGWIV-IAGOWNOFSA-N 2 2 324.440 1.753 50 0 DDAALP COCC[N@@H+](C)C[C@@H]1C[NH+](Cc2ccc(C)cc2F)C[C@@H]1CO ZINC000091536940 193070479 /nfs/dbraw/zinc/07/04/79/193070479.db2.gz ZZRHBAONQSGWIV-IAGOWNOFSA-N 2 2 324.440 1.753 50 0 DDAALP COCC[NH+](C)C[C@@H]1C[N@H+](Cc2ccc(C)cc2F)C[C@@H]1CO ZINC000091536940 193070480 /nfs/dbraw/zinc/07/04/80/193070480.db2.gz ZZRHBAONQSGWIV-IAGOWNOFSA-N 2 2 324.440 1.753 50 0 DDAALP COCC[NH+](C)C[C@@H]1C[N@@H+](Cc2ccc(C)cc2F)C[C@@H]1CO ZINC000091536940 193070482 /nfs/dbraw/zinc/07/04/82/193070482.db2.gz ZZRHBAONQSGWIV-IAGOWNOFSA-N 2 2 324.440 1.753 50 0 DDAALP Cn1c(Cn2cc[nH+]c2)nnc1C1CCN(c2cc[nH+]cc2)CC1 ZINC000091848956 193116759 /nfs/dbraw/zinc/11/67/59/193116759.db2.gz GUBNXYOAGQENJH-UHFFFAOYSA-N 2 2 323.404 1.839 50 0 DDAALP COCCn1cc[nH+]c1C1CC[NH+](Cc2nnc(C)o2)CC1 ZINC000091871578 193121481 /nfs/dbraw/zinc/12/14/81/193121481.db2.gz FGXQXZUAEOQUON-UHFFFAOYSA-N 2 2 305.382 1.601 50 0 DDAALP CCC[C@](C)([NH3+])C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000262534684 203321161 /nfs/dbraw/zinc/32/11/61/203321161.db2.gz JLQJMRBWUHDJKL-INIZCTEOSA-N 2 2 306.410 1.683 50 0 DDAALP Cc1cc(NC(=O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)on1 ZINC000065565398 184367164 /nfs/dbraw/zinc/36/71/64/184367164.db2.gz MBDMCBSQIXUZDV-ZDUSSCGKSA-N 2 2 315.377 1.751 50 0 DDAALP Cc1cc(NC(=O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)on1 ZINC000065565398 184367166 /nfs/dbraw/zinc/36/71/66/184367166.db2.gz MBDMCBSQIXUZDV-ZDUSSCGKSA-N 2 2 315.377 1.751 50 0 DDAALP O[C@@]1(C[NH+]2CCN(c3nsc4ccccc43)CC2)CC[NH2+]C1 ZINC000077516290 406994778 /nfs/dbraw/zinc/99/47/78/406994778.db2.gz MIWZKJLWPFJZBZ-INIZCTEOSA-N 2 2 318.446 1.143 50 0 DDAALP COc1c(C)c[nH+]c(CNC(=O)NCCCn2cc[nH+]c2)c1C ZINC000051674529 407142490 /nfs/dbraw/zinc/14/24/90/407142490.db2.gz VQIRVTIVIMGORI-UHFFFAOYSA-N 2 2 317.393 1.793 50 0 DDAALP CC[C@H]1CN(S(=O)(=O)C(C)C)CC[C@@H]1[NH2+]Cc1c[nH+]c[nH]1 ZINC000095961658 407217647 /nfs/dbraw/zinc/21/76/47/407217647.db2.gz MIZSNKODKAZPEO-JSGCOSHPSA-N 2 2 314.455 1.338 50 0 DDAALP Cc1cc(N2CC[NH+]([C@H]3Cc4ccccc4[C@@H]3O)CC2)nc(C)[nH+]1 ZINC000097034106 407276204 /nfs/dbraw/zinc/27/62/04/407276204.db2.gz LCNKWSNNNBUYSI-HKUYNNGSSA-N 2 2 324.428 1.874 50 0 DDAALP COC(=O)c1cc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)ccc1O ZINC000067740697 407282611 /nfs/dbraw/zinc/28/26/11/407282611.db2.gz ASKDEUXKZLDRFC-KRWDZBQOSA-N 2 2 304.390 1.754 50 0 DDAALP COC(=O)c1cc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)ccc1O ZINC000067740697 407282613 /nfs/dbraw/zinc/28/26/13/407282613.db2.gz ASKDEUXKZLDRFC-KRWDZBQOSA-N 2 2 304.390 1.754 50 0 DDAALP O=C(NCCc1[nH]cc[nH+]1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000172991634 407857934 /nfs/dbraw/zinc/85/79/34/407857934.db2.gz DDJDQJAZZGJZDY-INIZCTEOSA-N 2 2 312.417 1.981 50 0 DDAALP O=C(NCCc1[nH]cc[nH+]1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000172991634 407857939 /nfs/dbraw/zinc/85/79/39/407857939.db2.gz DDJDQJAZZGJZDY-INIZCTEOSA-N 2 2 312.417 1.981 50 0 DDAALP Nc1nc(NCCn2nnc3ccccc32)cc([C@H]2C[C@H]([NH3+])C2)[nH+]1 ZINC000244788037 407939479 /nfs/dbraw/zinc/93/94/79/407939479.db2.gz QIBSNYKJKVHVTE-XYPYZODXSA-N 2 2 324.392 1.120 50 0 DDAALP c1[nH+]cn(C2CCCCC2)c1CN1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000244852610 407940663 /nfs/dbraw/zinc/94/06/63/407940663.db2.gz UVQZIPONZHQTGM-QGZVFWFLSA-N 2 2 317.481 1.868 50 0 DDAALP CC(C)c1[nH+]ccn1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000182796533 408251500 /nfs/dbraw/zinc/25/15/00/408251500.db2.gz HBQPUHBUNHWDFU-UHFFFAOYSA-N 2 2 308.426 1.234 50 0 DDAALP CC(C)NS(=O)(=O)[C@H]1CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000161947510 408652258 /nfs/dbraw/zinc/65/22/58/408652258.db2.gz PVIHBLIJKIEFMM-HNNXBMFYSA-N 2 2 317.499 1.265 50 0 DDAALP CC(C)NS(=O)(=O)[C@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000161947510 408652263 /nfs/dbraw/zinc/65/22/63/408652263.db2.gz PVIHBLIJKIEFMM-HNNXBMFYSA-N 2 2 317.499 1.265 50 0 DDAALP C[C@H](C1CCN(c2cc3nncn3c(N)[nH+]2)CC1)[NH+]1CCCC1 ZINC000821746070 758174044 /nfs/dbraw/zinc/17/40/44/758174044.db2.gz RQDLVFRHHLSLAD-GFCCVEGCSA-N 2 2 315.425 1.407 50 0 DDAALP CCCCn1cc[nH+]c1C1CCN(C(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000095529331 185378693 /nfs/dbraw/zinc/37/86/93/185378693.db2.gz RSXPXHTVJPUIFW-OAHLLOKOSA-N 2 2 304.438 1.999 50 0 DDAALP Cc1ccc(C[NH2+]C2CC[NH+](CC(=O)N3CCCC3)CC2)nc1 ZINC000095416647 185359030 /nfs/dbraw/zinc/35/90/30/185359030.db2.gz XNJUTLZYWPLROZ-UHFFFAOYSA-N 2 2 316.449 1.566 50 0 DDAALP c1cn(C[C@H]2CCC[N@H+](Cc3cc4n(n3)CC[NH2+]C4)C2)c[nH+]1 ZINC000072172528 191070162 /nfs/dbraw/zinc/07/01/62/191070162.db2.gz GWAMRIZJUQBSGE-AWEZNQCLSA-N 2 2 300.410 1.095 50 0 DDAALP c1cn(C[C@H]2CCC[N@@H+](Cc3cc4n(n3)CC[NH2+]C4)C2)c[nH+]1 ZINC000072172528 191070164 /nfs/dbraw/zinc/07/01/64/191070164.db2.gz GWAMRIZJUQBSGE-AWEZNQCLSA-N 2 2 300.410 1.095 50 0 DDAALP c1cn(C[C@H]2CCC[N@@H+](Cc3cc4n(n3)CC[NH2+]C4)C2)cn1 ZINC000072172528 191070171 /nfs/dbraw/zinc/07/01/71/191070171.db2.gz GWAMRIZJUQBSGE-AWEZNQCLSA-N 2 2 300.410 1.095 50 0 DDAALP Cn1c(C[NH+](C)C)nnc1[C@@H]1CCC[N@H+](Cc2ccncc2)C1 ZINC000072411224 191154339 /nfs/dbraw/zinc/15/43/39/191154339.db2.gz XQOBGUGVJXAWBK-OAHLLOKOSA-N 2 2 314.437 1.651 50 0 DDAALP Cn1c(C[NH+](C)C)nnc1[C@@H]1CCC[N@@H+](Cc2ccncc2)C1 ZINC000072411224 191154342 /nfs/dbraw/zinc/15/43/42/191154342.db2.gz XQOBGUGVJXAWBK-OAHLLOKOSA-N 2 2 314.437 1.651 50 0 DDAALP CC[NH+]1CCN(C2=[NH+]CCN2C(=O)c2cc(C)cc(C)c2)CC1 ZINC000096339207 353914192 /nfs/dbraw/zinc/91/41/92/353914192.db2.gz TVJGSULUSFRPHH-UHFFFAOYSA-N 2 2 314.433 1.753 50 0 DDAALP CN1CC[N@H+](C)C[C@H]1C[NH2+]C1CCN(c2ccc(F)cc2)CC1 ZINC000584887096 354790383 /nfs/dbraw/zinc/79/03/83/354790383.db2.gz NGRSMKOBXJUJCN-GOSISDBHSA-N 2 2 320.456 1.630 50 0 DDAALP CN1CC[N@@H+](C)C[C@H]1C[NH2+]C1CCN(c2ccc(F)cc2)CC1 ZINC000584887096 354790387 /nfs/dbraw/zinc/79/03/87/354790387.db2.gz NGRSMKOBXJUJCN-GOSISDBHSA-N 2 2 320.456 1.630 50 0 DDAALP CC[NH+](CC)C[C@H](O)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000058078769 184073511 /nfs/dbraw/zinc/07/35/11/184073511.db2.gz KREUHZLWRFCVJP-LJQANCHMSA-N 3 2 319.493 1.943 50 0 DDAALP c1cc2n(n1)C[C@@H](C[NH2+]Cc1ccc(-n3cc[nH+]c3)cc1)CN2 ZINC000058309716 184103680 /nfs/dbraw/zinc/10/36/80/184103680.db2.gz FDMNUBYAWRTPKK-HNNXBMFYSA-N 2 2 308.389 1.900 50 0 DDAALP CCOC(=O)[C@@H](C)[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000060368392 184147328 /nfs/dbraw/zinc/14/73/28/184147328.db2.gz RHBZCJUYFHCDHW-QLFBSQMISA-N 2 2 312.454 1.759 50 0 DDAALP CCOC(=O)[C@@H](C)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000060368392 184147329 /nfs/dbraw/zinc/14/73/29/184147329.db2.gz RHBZCJUYFHCDHW-QLFBSQMISA-N 2 2 312.454 1.759 50 0 DDAALP COc1cc(Cl)cc(C[NH2+]CCC[NH2+]CCO)c1OC ZINC000040720701 286223222 /nfs/dbraw/zinc/22/32/22/286223222.db2.gz WRYNLVCUVKJOOE-UHFFFAOYSA-N 2 2 302.802 1.419 50 0 DDAALP C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)Cc1cn2ccccc2[nH+]1 ZINC000069739209 406762918 /nfs/dbraw/zinc/76/29/18/406762918.db2.gz AKDMZVRXJPFSBN-CVEARBPZSA-N 2 2 312.417 1.962 50 0 DDAALP C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)Cc1cn2ccccc2[nH+]1 ZINC000069739209 406762921 /nfs/dbraw/zinc/76/29/21/406762921.db2.gz AKDMZVRXJPFSBN-CVEARBPZSA-N 2 2 312.417 1.962 50 0 DDAALP Cn1cc[nH+]c1CC[N@@H+]1C[C@@H]2c3ccccc3OC[C@]2(CO)C1 ZINC000095520370 407214454 /nfs/dbraw/zinc/21/44/54/407214454.db2.gz BQAZDKFMLYCWAB-CRAIPNDOSA-N 2 2 313.401 1.433 50 0 DDAALP Cn1cc[nH+]c1CC[N@H+]1C[C@@H]2c3ccccc3OC[C@]2(CO)C1 ZINC000095520370 407214456 /nfs/dbraw/zinc/21/44/56/407214456.db2.gz BQAZDKFMLYCWAB-CRAIPNDOSA-N 2 2 313.401 1.433 50 0 DDAALP O[C@H]1CCC[N@H+](CCCNc2cc(N3CCCCC3)[nH+]cn2)C1 ZINC000065383742 407243208 /nfs/dbraw/zinc/24/32/08/407243208.db2.gz PVBHEGBWMAVSFN-HNNXBMFYSA-N 2 2 319.453 1.726 50 0 DDAALP O[C@H]1CCC[N@@H+](CCCNc2cc(N3CCCCC3)[nH+]cn2)C1 ZINC000065383742 407243210 /nfs/dbraw/zinc/24/32/10/407243210.db2.gz PVBHEGBWMAVSFN-HNNXBMFYSA-N 2 2 319.453 1.726 50 0 DDAALP O[C@H]1CCC[N@H+](CCCNc2cc(N3CCCCC3)nc[nH+]2)C1 ZINC000065383742 407243212 /nfs/dbraw/zinc/24/32/12/407243212.db2.gz PVBHEGBWMAVSFN-HNNXBMFYSA-N 2 2 319.453 1.726 50 0 DDAALP O[C@H]1CCC[N@@H+](CCCNc2cc(N3CCCCC3)nc[nH+]2)C1 ZINC000065383742 407243214 /nfs/dbraw/zinc/24/32/14/407243214.db2.gz PVBHEGBWMAVSFN-HNNXBMFYSA-N 2 2 319.453 1.726 50 0 DDAALP C[N@H+](CC[C@@H]1CCCC[NH+]1C)CC(=O)NCc1cccnc1 ZINC000096441541 407266433 /nfs/dbraw/zinc/26/64/33/407266433.db2.gz HXSBFFGKHMMQFR-INIZCTEOSA-N 2 2 304.438 1.504 50 0 DDAALP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)CC(=O)NCc1cccnc1 ZINC000096441541 407266435 /nfs/dbraw/zinc/26/64/35/407266435.db2.gz HXSBFFGKHMMQFR-INIZCTEOSA-N 2 2 304.438 1.504 50 0 DDAALP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)CC(=O)NCc1cccnc1 ZINC000096441541 407266436 /nfs/dbraw/zinc/26/64/36/407266436.db2.gz HXSBFFGKHMMQFR-INIZCTEOSA-N 2 2 304.438 1.504 50 0 DDAALP C[NH+](CC[C@@H]1CCCC[N@H+]1C)CC(=O)NCc1cccnc1 ZINC000096441541 407266437 /nfs/dbraw/zinc/26/64/37/407266437.db2.gz HXSBFFGKHMMQFR-INIZCTEOSA-N 2 2 304.438 1.504 50 0 DDAALP CCn1ncnc1C[NH+]1CCC([C@@H](C)[NH+]2CCOCC2)CC1 ZINC000215570567 407486433 /nfs/dbraw/zinc/48/64/33/407486433.db2.gz LEEBSXNFLCOLJR-CQSZACIVSA-N 2 2 307.442 1.231 50 0 DDAALP Cn1cc[nH+]c1CNC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000265801266 407458725 /nfs/dbraw/zinc/45/87/25/407458725.db2.gz YVNFLXYAQVUNSJ-UHFFFAOYSA-N 2 2 305.426 1.580 50 0 DDAALP Cn1cc[nH+]c1CNC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000265801266 407458729 /nfs/dbraw/zinc/45/87/29/407458729.db2.gz YVNFLXYAQVUNSJ-UHFFFAOYSA-N 2 2 305.426 1.580 50 0 DDAALP O=C(N[C@H]1CCc2[nH+]ccn2C1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000229276681 407656912 /nfs/dbraw/zinc/65/69/12/407656912.db2.gz BAFKIFZWPMYDBT-DLBZAZTESA-N 2 2 324.428 1.979 50 0 DDAALP O=C(N[C@H]1CCc2[nH+]ccn2C1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000229276681 407656917 /nfs/dbraw/zinc/65/69/17/407656917.db2.gz BAFKIFZWPMYDBT-DLBZAZTESA-N 2 2 324.428 1.979 50 0 DDAALP C[NH+]1CCN(C(=O)N2CCC(Oc3cc[nH+]cc3)CC2)CC1 ZINC000240067973 407906787 /nfs/dbraw/zinc/90/67/87/407906787.db2.gz SFYSKLAIUPYBES-UHFFFAOYSA-N 2 2 304.394 1.292 50 0 DDAALP CC[N@H+](Cc1ccc2c(c1)OCCO2)C[C@@]1(O)CCC[NH+](C)C1 ZINC000046087375 418444827 /nfs/dbraw/zinc/44/48/27/418444827.db2.gz SSGBBCYSZQECOP-GOSISDBHSA-N 2 2 320.433 1.736 50 0 DDAALP CC[N@@H+](Cc1ccc2c(c1)OCCO2)C[C@@]1(O)CCC[NH+](C)C1 ZINC000046087375 418444831 /nfs/dbraw/zinc/44/48/31/418444831.db2.gz SSGBBCYSZQECOP-GOSISDBHSA-N 2 2 320.433 1.736 50 0 DDAALP CC[NH+](Cc1ccc2c(c1)OCCO2)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000046087375 418444832 /nfs/dbraw/zinc/44/48/32/418444832.db2.gz SSGBBCYSZQECOP-GOSISDBHSA-N 2 2 320.433 1.736 50 0 DDAALP CC[NH+](Cc1ccc2c(c1)OCCO2)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000046087375 418444836 /nfs/dbraw/zinc/44/48/36/418444836.db2.gz SSGBBCYSZQECOP-GOSISDBHSA-N 2 2 320.433 1.736 50 0 DDAALP Cc1cc(CNC(=O)[C@@H]2CCC[N@@H+]2C2CC[NH2+]CC2)ccn1 ZINC000391241265 418756154 /nfs/dbraw/zinc/75/61/54/418756154.db2.gz HZFAWLRMYCMHLI-INIZCTEOSA-N 2 2 302.422 1.223 50 0 DDAALP Cc1cc(CNC(=O)[C@@H]2CCC[N@H+]2C2CC[NH2+]CC2)ccn1 ZINC000391241265 418756156 /nfs/dbraw/zinc/75/61/56/418756156.db2.gz HZFAWLRMYCMHLI-INIZCTEOSA-N 2 2 302.422 1.223 50 0 DDAALP CCn1cc[nH+]c1CN(C)c1cc([C@H]2CCOC2)[nH+]c(N)n1 ZINC000426503445 419493170 /nfs/dbraw/zinc/49/31/70/419493170.db2.gz SEKUKRQZQRURQH-NSHDSACASA-N 2 2 302.382 1.416 50 0 DDAALP C[N@H+](CC(=O)NCc1cc2ccccc2[nH]1)C1CC[NH2+]CC1 ZINC000534584504 334291466 /nfs/dbraw/zinc/29/14/66/334291466.db2.gz YKPJGBMVANPIBH-UHFFFAOYSA-N 2 2 300.406 1.468 50 0 DDAALP C[N@@H+](CC(=O)NCc1cc2ccccc2[nH]1)C1CC[NH2+]CC1 ZINC000534584504 334291467 /nfs/dbraw/zinc/29/14/67/334291467.db2.gz YKPJGBMVANPIBH-UHFFFAOYSA-N 2 2 300.406 1.468 50 0 DDAALP OC[C@@H]1CC[N@H+](Cc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000670456187 484841828 /nfs/dbraw/zinc/84/18/28/484841828.db2.gz CEKIWIAUSRWMGY-OAHLLOKOSA-N 2 2 301.390 1.776 50 0 DDAALP OC[C@@H]1CC[N@@H+](Cc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000670456187 484841830 /nfs/dbraw/zinc/84/18/30/484841830.db2.gz CEKIWIAUSRWMGY-OAHLLOKOSA-N 2 2 301.390 1.776 50 0 DDAALP Cc1[nH+]c(CN2CCC[C@@H](C[NH+]3CCOCC3)C2)n(C)c1C ZINC000670470544 484849651 /nfs/dbraw/zinc/84/96/51/484849651.db2.gz QRVNPJQOAALAQR-INIZCTEOSA-N 2 2 306.454 1.581 50 0 DDAALP C[C@H](CCc1ncnn1-c1cc[nH+]cc1)[NH+]1CCN(C)CC1 ZINC000823789446 758361458 /nfs/dbraw/zinc/36/14/58/758361458.db2.gz QKIWHKJJMUPSII-CQSZACIVSA-N 2 2 300.410 1.231 50 0 DDAALP C[C@H](CCc1ncnn1-c1cc[nH+]cc1)N1CC[NH+](C)CC1 ZINC000823789446 758361469 /nfs/dbraw/zinc/36/14/69/758361469.db2.gz QKIWHKJJMUPSII-CQSZACIVSA-N 2 2 300.410 1.231 50 0 DDAALP COc1ccc(C(=O)N2CC[NH+](C[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000072147290 191052684 /nfs/dbraw/zinc/05/26/84/191052684.db2.gz NVNPCKZJBRJWMX-AWEZNQCLSA-N 2 2 303.406 1.063 50 0 DDAALP O=C(C[N@@H+]1CC[C@@H](c2ccccc2)C1)N1CCn2c[nH+]cc2C1 ZINC000072164632 191065731 /nfs/dbraw/zinc/06/57/31/191065731.db2.gz GLTJTNYYYHXWMI-MRXNPFEDSA-N 2 2 310.401 1.715 50 0 DDAALP O=C(C[N@H+]1CC[C@@H](c2ccccc2)C1)N1CCn2c[nH+]cc2C1 ZINC000072164632 191065732 /nfs/dbraw/zinc/06/57/32/191065732.db2.gz GLTJTNYYYHXWMI-MRXNPFEDSA-N 2 2 310.401 1.715 50 0 DDAALP CC[NH+]1CCN(C2=[NH+]CCN2C(=O)c2cccc(C)c2)CC1 ZINC000096339198 353913992 /nfs/dbraw/zinc/91/39/92/353913992.db2.gz PYRLPEILDPPIIY-UHFFFAOYSA-N 2 2 300.406 1.444 50 0 DDAALP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)[C@H]([NH3+])c2ccccc2)C1 ZINC000195554378 354296940 /nfs/dbraw/zinc/29/69/40/354296940.db2.gz ZXGLIGPMDNJSMF-RHSMWYFYSA-N 2 2 312.417 1.901 50 0 DDAALP C[C@H]1C[C@@H]([NH2+]Cc2cn(C)nc2C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000585140892 354814931 /nfs/dbraw/zinc/81/49/31/354814931.db2.gz LEKZJCFTINEGJU-JSGCOSHPSA-N 2 2 322.453 1.948 50 0 DDAALP C[C@H]1C[C@@H]([NH2+]Cc2cn(C)nc2C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000585140892 354814934 /nfs/dbraw/zinc/81/49/34/354814934.db2.gz LEKZJCFTINEGJU-JSGCOSHPSA-N 2 2 322.453 1.948 50 0 DDAALP Cc1nc(C[NH+]2CCC([C@@H](C)[NH+]3CCN(C)CC3)CC2)co1 ZINC000077322518 406984423 /nfs/dbraw/zinc/98/44/23/406984423.db2.gz RLABKMAUPAVZFP-CQSZACIVSA-N 2 2 306.454 1.831 50 0 DDAALP COC[C@@H](O)C[NH+]1CCC([NH2+]Cc2ccccc2OC)CC1 ZINC000089800810 407150224 /nfs/dbraw/zinc/15/02/24/407150224.db2.gz ASKZPYPSOCYUCW-INIZCTEOSA-N 2 2 308.422 1.257 50 0 DDAALP CC(C)C[N@@H+]1CCO[C@@H](C[NH+]2CCC[C@H](c3cc[nH]n3)C2)C1 ZINC000089840196 407153438 /nfs/dbraw/zinc/15/34/38/407153438.db2.gz FWVCFYHZWSCPQO-HOTGVXAUSA-N 2 2 306.454 1.946 50 0 DDAALP CC(C)C[N@H+]1CCO[C@@H](C[NH+]2CCC[C@H](c3cc[nH]n3)C2)C1 ZINC000089840196 407153442 /nfs/dbraw/zinc/15/34/42/407153442.db2.gz FWVCFYHZWSCPQO-HOTGVXAUSA-N 2 2 306.454 1.946 50 0 DDAALP CC(C)C[NH+]1CCO[C@@H](C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)C1 ZINC000089840196 407153444 /nfs/dbraw/zinc/15/34/44/407153444.db2.gz FWVCFYHZWSCPQO-HOTGVXAUSA-N 2 2 306.454 1.946 50 0 DDAALP CC(C)C[NH+]1CCO[C@@H](C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)C1 ZINC000089840196 407153447 /nfs/dbraw/zinc/15/34/47/407153447.db2.gz FWVCFYHZWSCPQO-HOTGVXAUSA-N 2 2 306.454 1.946 50 0 DDAALP COCCc1noc(C[N@H+](C)C[C@@H]2CCC[NH+]3CCCC[C@H]23)n1 ZINC000055120367 407195335 /nfs/dbraw/zinc/19/53/35/407195335.db2.gz SFZIORJGXLYKDX-LSDHHAIUSA-N 2 2 322.453 1.955 50 0 DDAALP COCCc1noc(C[N@@H+](C)C[C@@H]2CCC[NH+]3CCCC[C@H]23)n1 ZINC000055120367 407195338 /nfs/dbraw/zinc/19/53/38/407195338.db2.gz SFZIORJGXLYKDX-LSDHHAIUSA-N 2 2 322.453 1.955 50 0 DDAALP COCCc1noc(C[NH+](C)C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)n1 ZINC000055120367 407195339 /nfs/dbraw/zinc/19/53/39/407195339.db2.gz SFZIORJGXLYKDX-LSDHHAIUSA-N 2 2 322.453 1.955 50 0 DDAALP COCCc1noc(C[NH+](C)C[C@@H]2CCC[N@H+]3CCCC[C@H]23)n1 ZINC000055120367 407195342 /nfs/dbraw/zinc/19/53/42/407195342.db2.gz SFZIORJGXLYKDX-LSDHHAIUSA-N 2 2 322.453 1.955 50 0 DDAALP c1[nH+]c2ccccn2c1CN1CC[NH+](C2CCOCC2)CC1 ZINC000095965745 407217522 /nfs/dbraw/zinc/21/75/22/407217522.db2.gz YNPWWAKLZXRINV-UHFFFAOYSA-N 2 2 300.406 1.631 50 0 DDAALP C[NH+](C)C[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CNc2ccnn2C1 ZINC000058296099 407219833 /nfs/dbraw/zinc/21/98/33/407219833.db2.gz PBHCWQIBZUJFIH-DLBZAZTESA-N 2 2 313.449 1.687 50 0 DDAALP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3nnnn3C3CC3)C2)[nH+]1 ZINC000097200931 407286257 /nfs/dbraw/zinc/28/62/57/407286257.db2.gz QUBSGZNHJLJSHQ-ZDUSSCGKSA-N 2 2 313.409 1.645 50 0 DDAALP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3nnnn3C3CC3)C2)[nH+]1 ZINC000097200931 407286259 /nfs/dbraw/zinc/28/62/59/407286259.db2.gz QUBSGZNHJLJSHQ-ZDUSSCGKSA-N 2 2 313.409 1.645 50 0 DDAALP [NH3+]C1(C(=O)NCC[C@H]2C[N@H+](Cc3ccco3)CCO2)CCCC1 ZINC000067894271 407289349 /nfs/dbraw/zinc/28/93/49/407289349.db2.gz AXRGDNUSUNRBFI-HNNXBMFYSA-N 2 2 321.421 1.258 50 0 DDAALP [NH3+]C1(C(=O)NCC[C@H]2C[N@@H+](Cc3ccco3)CCO2)CCCC1 ZINC000067894271 407289351 /nfs/dbraw/zinc/28/93/51/407289351.db2.gz AXRGDNUSUNRBFI-HNNXBMFYSA-N 2 2 321.421 1.258 50 0 DDAALP Cn1cc[nH+]c1CN(CCO)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000097360268 407292254 /nfs/dbraw/zinc/29/22/54/407292254.db2.gz XMMWJAMLXRLIHS-UHFFFAOYSA-N 2 2 316.405 1.116 50 0 DDAALP Cc1ccc(C[NH+]2CCC3(CC2)C(=O)NCCC[N@H+]3C)s1 ZINC000097568767 407299829 /nfs/dbraw/zinc/29/98/29/407299829.db2.gz HZTYJSUGYBOVCG-UHFFFAOYSA-N 2 2 307.463 1.843 50 0 DDAALP Cc1ccc(C[NH+]2CCC3(CC2)C(=O)NCCC[N@@H+]3C)s1 ZINC000097568767 407299831 /nfs/dbraw/zinc/29/98/31/407299831.db2.gz HZTYJSUGYBOVCG-UHFFFAOYSA-N 2 2 307.463 1.843 50 0 DDAALP COc1cc(F)c(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)cc1OC ZINC000097744827 407302530 /nfs/dbraw/zinc/30/25/30/407302530.db2.gz PBMQQMKVQLSJQT-CQSZACIVSA-N 2 2 323.412 1.322 50 0 DDAALP COc1ccc(C[NH+]2CCN(C3CC[NH+](C)CC3)CC2)cn1 ZINC000215483513 407483181 /nfs/dbraw/zinc/48/31/81/407483181.db2.gz JULFJIMMQJRKFN-UHFFFAOYSA-N 2 2 304.438 1.302 50 0 DDAALP C[N@@H+]1CCN(Cc2c[nH+]cn2Cc2ccccc2)C[C@H]1CCO ZINC000252503935 408802230 /nfs/dbraw/zinc/80/22/30/408802230.db2.gz VHJLAPMTNJPINL-QGZVFWFLSA-N 2 2 314.433 1.430 50 0 DDAALP C[N@H+]1CCN(Cc2c[nH+]cn2Cc2ccccc2)C[C@H]1CCO ZINC000252503935 408802235 /nfs/dbraw/zinc/80/22/35/408802235.db2.gz VHJLAPMTNJPINL-QGZVFWFLSA-N 2 2 314.433 1.430 50 0 DDAALP [NH3+]CCOc1ccc(Cl)cc1C(=O)NCCc1[nH]cc[nH+]1 ZINC000426598881 419516652 /nfs/dbraw/zinc/51/66/52/419516652.db2.gz NAIWORNUFILSLS-UHFFFAOYSA-N 2 2 308.769 1.373 50 0 DDAALP C[NH+](C)CCn1cc[nH+]c1[C@H]1CCCN(c2nc(N)cc[nH+]2)C1 ZINC000095510615 185376051 /nfs/dbraw/zinc/37/60/51/185376051.db2.gz UBCWCKXXQVEKRF-ZDUSSCGKSA-N 3 2 315.425 1.201 50 0 DDAALP CCc1cnc(C[N@@H+]2CCC[C@@H](CN3CC[NH+](C)CC3)C2)o1 ZINC000095442009 185366608 /nfs/dbraw/zinc/36/66/08/185366608.db2.gz KESNKOKHPSYLLG-HNNXBMFYSA-N 2 2 306.454 1.696 50 0 DDAALP CCc1cnc(C[N@H+]2CCC[C@@H](CN3CC[NH+](C)CC3)C2)o1 ZINC000095442009 185366609 /nfs/dbraw/zinc/36/66/09/185366609.db2.gz KESNKOKHPSYLLG-HNNXBMFYSA-N 2 2 306.454 1.696 50 0 DDAALP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000237426602 202262528 /nfs/dbraw/zinc/26/25/28/202262528.db2.gz QIKMHGHUFYVMPC-BFYDXBDKSA-N 2 2 316.449 1.804 50 0 DDAALP C[C@@H](CNC(=O)NCCc1cn2ccccc2[nH+]1)[NH+]1CCCC1 ZINC000065452498 184346695 /nfs/dbraw/zinc/34/66/95/184346695.db2.gz ONWJKAAOMNMOGY-AWEZNQCLSA-N 2 2 315.421 1.660 50 0 DDAALP COc1c(C[NH2+]Cc2ccnc(-n3cc[nH+]c3)c2)c(C)nn1C ZINC000069454105 406714795 /nfs/dbraw/zinc/71/47/95/406714795.db2.gz BNCAJLOOUBQDRD-UHFFFAOYSA-N 2 2 312.377 1.608 50 0 DDAALP CC1CC[NH+](C[C@@H](O)C[N@@H+]2CCCC[C@@H]2Cn2cncn2)CC1 ZINC000069815087 406777116 /nfs/dbraw/zinc/77/71/16/406777116.db2.gz HURUJZCQMFELOI-IAGOWNOFSA-N 2 2 321.469 1.225 50 0 DDAALP CC1CC[NH+](C[C@@H](O)C[N@H+]2CCCC[C@@H]2Cn2cncn2)CC1 ZINC000069815087 406777121 /nfs/dbraw/zinc/77/71/21/406777121.db2.gz HURUJZCQMFELOI-IAGOWNOFSA-N 2 2 321.469 1.225 50 0 DDAALP C[C@@H]1CN(Cc2[nH+]ccn2C)CC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000070008510 406802665 /nfs/dbraw/zinc/80/26/65/406802665.db2.gz MBCIVUBMTPEMLS-WBVHZDCISA-N 2 2 314.433 1.660 50 0 DDAALP C[C@@H]1CN(Cc2[nH+]ccn2C)CC[N@H+]1C[C@H](O)c1ccccc1 ZINC000070008510 406802671 /nfs/dbraw/zinc/80/26/71/406802671.db2.gz MBCIVUBMTPEMLS-WBVHZDCISA-N 2 2 314.433 1.660 50 0 DDAALP C[C@@H](O)C[N@@H+]1CCN(Cc2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1C ZINC000075129321 406924051 /nfs/dbraw/zinc/92/40/51/406924051.db2.gz HSIHCRXTKHQJMH-JKSUJKDBSA-N 2 2 314.433 1.759 50 0 DDAALP C[C@@H](O)C[N@H+]1CCN(Cc2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1C ZINC000075129321 406924054 /nfs/dbraw/zinc/92/40/54/406924054.db2.gz HSIHCRXTKHQJMH-JKSUJKDBSA-N 2 2 314.433 1.759 50 0 DDAALP COCC[NH+]1CCN(C(=O)[C@H](c2cccc(F)c2)[NH+](C)C)CC1 ZINC000095355869 407207885 /nfs/dbraw/zinc/20/78/85/407207885.db2.gz AFXSUFMNXURTHJ-INIZCTEOSA-N 2 2 323.412 1.219 50 0 DDAALP C[C@H](Cn1cc[nH+]c1)NC(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000095949488 407216383 /nfs/dbraw/zinc/21/63/83/407216383.db2.gz AWJVJTJTYWSFLU-CQSZACIVSA-N 2 2 315.421 1.833 50 0 DDAALP Cc1[nH+]ccn1CCN(C)c1nc(N2CCC[C@H](O)C2)cc[nH+]1 ZINC000065382904 407243568 /nfs/dbraw/zinc/24/35/68/407243568.db2.gz CKAMPRHKXULREK-AWEZNQCLSA-N 2 2 316.409 1.079 50 0 DDAALP Cc1cccc(N2CC[N@H+](CCN3CCOC3=O)[C@@H](C)C2)[nH+]1 ZINC000106853904 407362992 /nfs/dbraw/zinc/36/29/92/407362992.db2.gz NNTXGLIMAUXRLC-AWEZNQCLSA-N 2 2 304.394 1.353 50 0 DDAALP Cc1cccc(N2CC[N@@H+](CCN3CCOC3=O)[C@@H](C)C2)[nH+]1 ZINC000106853904 407362993 /nfs/dbraw/zinc/36/29/93/407362993.db2.gz NNTXGLIMAUXRLC-AWEZNQCLSA-N 2 2 304.394 1.353 50 0 DDAALP C[C@@H]1c2cc(F)ccc2CCN1C(=O)C[N@H+](C)C1CC[NH2+]CC1 ZINC000215432028 407482414 /nfs/dbraw/zinc/48/24/14/407482414.db2.gz CGQIJQUNEXZKQM-CYBMUJFWSA-N 2 2 319.424 1.955 50 0 DDAALP C[C@@H]1c2cc(F)ccc2CCN1C(=O)C[N@@H+](C)C1CC[NH2+]CC1 ZINC000215432028 407482416 /nfs/dbraw/zinc/48/24/16/407482416.db2.gz CGQIJQUNEXZKQM-CYBMUJFWSA-N 2 2 319.424 1.955 50 0 DDAALP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccnc(-n2cc[nH+]c2)c1 ZINC000222128304 407554571 /nfs/dbraw/zinc/55/45/71/407554571.db2.gz YKJVFNDLYWQLBH-CABCVRRESA-N 2 2 311.389 1.624 50 0 DDAALP O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccnc(-n2cc[nH+]c2)c1 ZINC000222128304 407554578 /nfs/dbraw/zinc/55/45/78/407554578.db2.gz YKJVFNDLYWQLBH-CABCVRRESA-N 2 2 311.389 1.624 50 0 DDAALP C[C@H](CCNC(=O)C[N@H+](C)Cc1ccncc1)n1cc[nH+]c1 ZINC000223780505 407573013 /nfs/dbraw/zinc/57/30/13/407573013.db2.gz USFXHOIFUHSGFP-CQSZACIVSA-N 2 2 301.394 1.477 50 0 DDAALP C[C@H](CCNC(=O)C[N@@H+](C)Cc1ccncc1)n1cc[nH+]c1 ZINC000223780505 407573018 /nfs/dbraw/zinc/57/30/18/407573018.db2.gz USFXHOIFUHSGFP-CQSZACIVSA-N 2 2 301.394 1.477 50 0 DDAALP Nc1nc(NCc2ccc3c(c2)CCO3)cc([C@H]2C[C@@H]([NH3+])C2)[nH+]1 ZINC000243957120 407924161 /nfs/dbraw/zinc/92/41/61/407924161.db2.gz CGAXWPGUELWLQA-BETUJISGSA-N 2 2 311.389 1.811 50 0 DDAALP Cn1c[nH+]cc1C[NH2+][C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000191765276 408485811 /nfs/dbraw/zinc/48/58/11/408485811.db2.gz XMEDNJLTDXSMTB-HNNXBMFYSA-N 2 2 302.353 1.450 50 0 DDAALP C[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000252512587 408803714 /nfs/dbraw/zinc/80/37/14/408803714.db2.gz SPTCMLHJJXSZLU-CABCVRRESA-N 2 2 302.422 1.461 50 0 DDAALP C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000252512587 408803717 /nfs/dbraw/zinc/80/37/17/408803717.db2.gz SPTCMLHJJXSZLU-CABCVRRESA-N 2 2 302.422 1.461 50 0 DDAALP COCCn1c[nH+]cc1CNc1cc([C@H]2CCOC2)[nH+]c(N)n1 ZINC000299757606 410609316 /nfs/dbraw/zinc/60/93/16/410609316.db2.gz HMNJHJAPCZKQBL-NSHDSACASA-N 2 2 318.381 1.018 50 0 DDAALP CCn1cc[nH+]c1CN1CC[N@H+](C[C@H]2CCCCO2)C[C@H]1C ZINC000252475212 222243847 /nfs/dbraw/zinc/24/38/47/222243847.db2.gz VYMNKXQWSCGXSR-HZPDHXFCSA-N 2 2 306.454 1.978 50 0 DDAALP CCn1cc[nH+]c1CN1CC[N@@H+](C[C@H]2CCCCO2)C[C@H]1C ZINC000252475212 222243852 /nfs/dbraw/zinc/24/38/52/222243852.db2.gz VYMNKXQWSCGXSR-HZPDHXFCSA-N 2 2 306.454 1.978 50 0 DDAALP CCCN(Cc1[nH+]ccn1C)c1cc([C@@H]2CCOC2)[nH+]c(N)n1 ZINC000426599040 419516781 /nfs/dbraw/zinc/51/67/81/419516781.db2.gz YLWIVLCBUZYVLT-GFCCVEGCSA-N 2 2 316.409 1.713 50 0 DDAALP CC[N@@H+]1CC[C@@H](NC(=O)N2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000515044537 421475922 /nfs/dbraw/zinc/47/59/22/421475922.db2.gz IBMWFCQIEMWZKN-MRXNPFEDSA-N 2 2 317.437 1.003 50 0 DDAALP CC[N@H+]1CC[C@@H](NC(=O)N2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000515044537 421475925 /nfs/dbraw/zinc/47/59/25/421475925.db2.gz IBMWFCQIEMWZKN-MRXNPFEDSA-N 2 2 317.437 1.003 50 0 DDAALP C[C@H](C(=O)NC(N)=O)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000245446946 279218138 /nfs/dbraw/zinc/21/81/38/279218138.db2.gz LRQIGJYLPWOGCB-UKRRQHHQSA-N 2 2 318.421 1.024 50 0 DDAALP C[C@H](C(=O)NC(N)=O)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000245446946 279218140 /nfs/dbraw/zinc/21/81/40/279218140.db2.gz LRQIGJYLPWOGCB-UKRRQHHQSA-N 2 2 318.421 1.024 50 0 DDAALP C[C@H](C(=O)NC(N)=O)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000245446946 279218141 /nfs/dbraw/zinc/21/81/41/279218141.db2.gz LRQIGJYLPWOGCB-UKRRQHHQSA-N 2 2 318.421 1.024 50 0 DDAALP C[C@H](C(=O)NC(N)=O)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000245446946 279218142 /nfs/dbraw/zinc/21/81/42/279218142.db2.gz LRQIGJYLPWOGCB-UKRRQHHQSA-N 2 2 318.421 1.024 50 0 DDAALP [NH3+][C@H]1CCCN(C(=O)c2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000158124681 527400522 /nfs/dbraw/zinc/40/05/22/527400522.db2.gz SVHBKXORTSSTJV-INIZCTEOSA-N 2 2 303.406 1.082 50 0 DDAALP Cc1ccc(NC(=O)C[NH+](C)C)c(NC(=O)C[N@@H+](C)C(C)C)c1 ZINC000952984517 721531869 /nfs/dbraw/zinc/53/18/69/721531869.db2.gz XEHVEVWMPJHARZ-UHFFFAOYSA-N 2 2 320.437 1.774 50 0 DDAALP Cc1ccc(NC(=O)C[NH+](C)C)c(NC(=O)C[N@H+](C)C(C)C)c1 ZINC000952984517 721531871 /nfs/dbraw/zinc/53/18/71/721531871.db2.gz XEHVEVWMPJHARZ-UHFFFAOYSA-N 2 2 320.437 1.774 50 0 DDAALP [NH3+]Cc1nc(C(=O)Nc2cccc(C[NH+]3CCCC3)c2)co1 ZINC000952985760 721532604 /nfs/dbraw/zinc/53/26/04/721532604.db2.gz DLUTYAGTDJBABN-UHFFFAOYSA-N 2 2 300.362 1.981 50 0 DDAALP C[C@@H](CCc1ncnn1-c1cc[nH+]cc1)[NH+]1CCN(C)CC1 ZINC000823789444 758363159 /nfs/dbraw/zinc/36/31/59/758363159.db2.gz QKIWHKJJMUPSII-AWEZNQCLSA-N 2 2 300.410 1.231 50 0 DDAALP C[C@@H](CCc1ncnn1-c1cc[nH+]cc1)N1CC[NH+](C)CC1 ZINC000823789444 758363168 /nfs/dbraw/zinc/36/31/68/758363168.db2.gz QKIWHKJJMUPSII-AWEZNQCLSA-N 2 2 300.410 1.231 50 0 DDAALP C[C@H](NC(=O)CCn1cc[nH+]c1)C1([NH+]2CCOCC2)CCCC1 ZINC000095406970 185356314 /nfs/dbraw/zinc/35/63/14/185356314.db2.gz YVVHHCHWZCKLEK-HNNXBMFYSA-N 2 2 320.437 1.423 50 0 DDAALP C[NH+](C)[C@@H](C(=O)N1CCn2c[nH+]cc2C1)c1cccc(F)c1 ZINC000072124084 191041621 /nfs/dbraw/zinc/04/16/21/191041621.db2.gz UFOCJERMWOXOGO-OAHLLOKOSA-N 2 2 302.353 1.667 50 0 DDAALP CN(Cc1[nH+]ccn1C)C(=O)NC[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000584886952 354790458 /nfs/dbraw/zinc/79/04/58/354790458.db2.gz AQRHKXCDHXRHSZ-AWEZNQCLSA-N 2 2 319.453 1.826 50 0 DDAALP CN(Cc1[nH+]ccn1C)C(=O)NC[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000584886952 354790462 /nfs/dbraw/zinc/79/04/62/354790462.db2.gz AQRHKXCDHXRHSZ-AWEZNQCLSA-N 2 2 319.453 1.826 50 0 DDAALP C[C@@H]1C[C@@H]([NH2+]Cc2c(C(=O)OC(C)(C)C)cnn2C)CC[N@@H+]1C ZINC000585140766 354813834 /nfs/dbraw/zinc/81/38/34/354813834.db2.gz JJPDEBISQMYMRD-OLZOCXBDSA-N 2 2 322.453 1.948 50 0 DDAALP C[C@@H]1C[C@@H]([NH2+]Cc2c(C(=O)OC(C)(C)C)cnn2C)CC[N@H+]1C ZINC000585140766 354813836 /nfs/dbraw/zinc/81/38/36/354813836.db2.gz JJPDEBISQMYMRD-OLZOCXBDSA-N 2 2 322.453 1.948 50 0 DDAALP C[C@@H]1C[C@@H]([NH2+]Cc2cn(C)nc2C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000585140910 354814648 /nfs/dbraw/zinc/81/46/48/354814648.db2.gz LEKZJCFTINEGJU-OCCSQVGLSA-N 2 2 322.453 1.948 50 0 DDAALP C[C@@H]1C[C@@H]([NH2+]Cc2cn(C)nc2C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000585140910 354814649 /nfs/dbraw/zinc/81/46/49/354814649.db2.gz LEKZJCFTINEGJU-OCCSQVGLSA-N 2 2 322.453 1.948 50 0 DDAALP CCc1[nH+]c(N)nc(N2CC[NH+](Cc3ccncc3)CC2)c1C ZINC000091586301 193075326 /nfs/dbraw/zinc/07/53/26/193075326.db2.gz WPVXQCHDSGDBGS-UHFFFAOYSA-N 2 2 312.421 1.647 50 0 DDAALP Nc1nc(NCCC[NH+]2CCOCC2)cc(-c2ccccc2)[nH+]1 ZINC000019791107 182149342 /nfs/dbraw/zinc/14/93/42/182149342.db2.gz HMWKCUPTXOVMLG-UHFFFAOYSA-N 2 2 313.405 1.860 50 0 DDAALP Cc1noc(C)c1C[NH+]1CCN(c2cc(C)[nH+]c(N)n2)CC1 ZINC000042098739 183232863 /nfs/dbraw/zinc/23/28/63/183232863.db2.gz KNDGZBKLESQTIP-UHFFFAOYSA-N 2 2 302.382 1.294 50 0 DDAALP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC000043303942 183353457 /nfs/dbraw/zinc/35/34/57/183353457.db2.gz FNNGTHKJYARVKK-HNNXBMFYSA-N 2 2 301.434 1.597 50 0 DDAALP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)CC1 ZINC000043303942 183353460 /nfs/dbraw/zinc/35/34/60/183353460.db2.gz FNNGTHKJYARVKK-HNNXBMFYSA-N 2 2 301.434 1.597 50 0 DDAALP COc1cc(C[NH2+][C@@H]2CC[NH2+]C2)ccc1OCC[NH+]1CCCC1 ZINC000065394384 184334867 /nfs/dbraw/zinc/33/48/67/184334867.db2.gz YYTYLEHFNYVXEX-MRXNPFEDSA-N 3 2 319.449 1.621 50 0 DDAALP CC(C)[C@H](Cn1cc[nH+]c1)[NH2+]CC(=O)NCc1ccccc1F ZINC000065469398 184350542 /nfs/dbraw/zinc/35/05/42/184350542.db2.gz BXGZZQLKQHSFNO-INIZCTEOSA-N 2 2 318.396 1.953 50 0 DDAALP CN(C)c1cc(CNC(=O)C[N@H+](C)Cc2ccccc2)cc[nH+]1 ZINC000065588702 184369373 /nfs/dbraw/zinc/36/93/73/184369373.db2.gz MELHSRZQAQJGMH-UHFFFAOYSA-N 2 2 312.417 1.896 50 0 DDAALP CN(C)c1cc(CNC(=O)C[N@@H+](C)Cc2ccccc2)cc[nH+]1 ZINC000065588702 184369375 /nfs/dbraw/zinc/36/93/75/184369375.db2.gz MELHSRZQAQJGMH-UHFFFAOYSA-N 2 2 312.417 1.896 50 0 DDAALP C[C@@H]1CN(Cc2[nH+]ccn2C)CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000229376479 257260134 /nfs/dbraw/zinc/26/01/34/257260134.db2.gz MBCIVUBMTPEMLS-NVXWUHKLSA-N 2 2 314.433 1.660 50 0 DDAALP C[C@@H]1CN(Cc2[nH+]ccn2C)CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000229376479 257260135 /nfs/dbraw/zinc/26/01/35/257260135.db2.gz MBCIVUBMTPEMLS-NVXWUHKLSA-N 2 2 314.433 1.660 50 0 DDAALP O=C(C[NH+]1CCC(C[NH+]2CCOCC2)CC1)Nc1nccs1 ZINC000069029219 406678144 /nfs/dbraw/zinc/67/81/44/406678144.db2.gz XAGWJUGBLQMVAX-UHFFFAOYSA-N 2 2 324.450 1.126 50 0 DDAALP C[NH+](C)C[C@@H]1CCCCN1C(=O)Cc1cn2ccccc2[nH+]1 ZINC000069697992 406756675 /nfs/dbraw/zinc/75/66/75/406756675.db2.gz CGOGKBGXZMHEPN-HNNXBMFYSA-N 2 2 300.406 1.820 50 0 DDAALP C[NH+]1CCN(c2nc(N3CCCC3)[nH+]c3c2SCCC3)CC1 ZINC000009184116 406803791 /nfs/dbraw/zinc/80/37/91/406803791.db2.gz COXJTFUCFVOZFM-UHFFFAOYSA-N 2 2 319.478 1.867 50 0 DDAALP C[C@@H]1C[N@@H+](C2CCN(c3[nH+]cnc4c3cnn4C)CC2)CCO1 ZINC000071821711 406846320 /nfs/dbraw/zinc/84/63/20/406846320.db2.gz SLDIQQLOKDWIRN-GFCCVEGCSA-N 2 2 316.409 1.053 50 0 DDAALP C[C@@H]1C[N@H+](C2CCN(c3[nH+]cnc4c3cnn4C)CC2)CCO1 ZINC000071821711 406846321 /nfs/dbraw/zinc/84/63/21/406846321.db2.gz SLDIQQLOKDWIRN-GFCCVEGCSA-N 2 2 316.409 1.053 50 0 DDAALP Cc1nc(C[NH+]2CCC([C@H](C)[NH+]3CCN(C)CC3)CC2)co1 ZINC000077322520 406984561 /nfs/dbraw/zinc/98/45/61/406984561.db2.gz RLABKMAUPAVZFP-AWEZNQCLSA-N 2 2 306.454 1.831 50 0 DDAALP O[C@]1(C[NH2+]Cc2cc(C(F)(F)F)ccc2F)C[NH2+]CCOC1 ZINC000077469727 406992209 /nfs/dbraw/zinc/99/22/09/406992209.db2.gz KMVYLRLWZJBUCJ-ZDUSSCGKSA-N 2 2 322.302 1.285 50 0 DDAALP C[NH+](C)C[C@H](Cc1ccccc1)[NH2+]C[C@H]1CNc2ccnn2C1 ZINC000058296102 407219808 /nfs/dbraw/zinc/21/98/08/407219808.db2.gz PBHCWQIBZUJFIH-IRXDYDNUSA-N 2 2 313.449 1.687 50 0 DDAALP Cn1cc[nH+]c1CNC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000096427204 407265235 /nfs/dbraw/zinc/26/52/35/407265235.db2.gz HGTLNPZESMRIPB-UHFFFAOYSA-N 2 2 306.410 1.071 50 0 DDAALP [NH3+][C@@H]1CCN(Cc2ccccc2OCCCn2cc[nH+]c2)C1 ZINC000215022574 407481213 /nfs/dbraw/zinc/48/12/13/407481213.db2.gz DLIHMNOIYRVEKD-MRXNPFEDSA-N 2 2 300.406 1.885 50 0 DDAALP C[C@@H]1C[NH2+]CCN1Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000215836833 407490350 /nfs/dbraw/zinc/49/03/50/407490350.db2.gz XESAEHOGBISISR-MRXNPFEDSA-N 2 2 319.449 1.191 50 0 DDAALP CC[NH+](CC)CC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000170594089 407444759 /nfs/dbraw/zinc/44/47/59/407444759.db2.gz IQWWNUYSCLNFIY-UHFFFAOYSA-N 2 2 304.369 1.969 50 0 DDAALP C[C@@H]1CN(C(=O)c2cccc(C[NH+]3CCOCC3)c2)C[C@H](C)[NH2+]1 ZINC000153685931 407878432 /nfs/dbraw/zinc/87/84/32/407878432.db2.gz ZMJDDMGQZPMIBN-GASCZTMLSA-N 2 2 317.433 1.341 50 0 DDAALP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000269300614 408261028 /nfs/dbraw/zinc/26/10/28/408261028.db2.gz QIKMHGHUFYVMPC-VYDXJSESSA-N 2 2 316.449 1.804 50 0 DDAALP c1ccc2c(c1)nc1nc(NCCC[NH+]3CCOCC3)[nH+][nH]c2-1 ZINC000670433151 484826388 /nfs/dbraw/zinc/82/63/88/484826388.db2.gz IMQAYPGLRAIAJP-UHFFFAOYSA-N 2 2 312.377 1.640 50 0 DDAALP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccc2sccc2c1 ZINC000067712858 696363310 /nfs/dbraw/zinc/36/33/10/696363310.db2.gz WXPCIJPGJJQDCY-ZDUSSCGKSA-N 2 2 300.387 1.811 50 0 DDAALP C[NH+](C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C1CCC1 ZINC000169790669 697346665 /nfs/dbraw/zinc/34/66/65/697346665.db2.gz VXGGCAQTMYNNPF-QZTJIDSGSA-N 2 2 315.461 1.965 50 0 DDAALP C[NH+](C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C1CCC1 ZINC000169790669 697346666 /nfs/dbraw/zinc/34/66/66/697346666.db2.gz VXGGCAQTMYNNPF-QZTJIDSGSA-N 2 2 315.461 1.965 50 0 DDAALP CCCNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH+](C)C ZINC000581801306 736203349 /nfs/dbraw/zinc/20/33/49/736203349.db2.gz GCNFOONYFQUTBP-IAGOWNOFSA-N 2 2 318.465 1.758 50 0 DDAALP CCCNC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH+](C)C ZINC000581801306 736203350 /nfs/dbraw/zinc/20/33/50/736203350.db2.gz GCNFOONYFQUTBP-IAGOWNOFSA-N 2 2 318.465 1.758 50 0 DDAALP Cc1ccccc1[C@H](C(=O)N1CC[NH+](CCCO)CC1)[NH+](C)C ZINC000095501865 185375184 /nfs/dbraw/zinc/37/51/84/185375184.db2.gz QEFIYIZRERKZOV-QGZVFWFLSA-N 2 2 319.449 1.124 50 0 DDAALP C[N@H+](Cc1cc2n(n1)CC[NH2+]C2)Cc1ccc2nccnc2c1 ZINC000072158256 191060237 /nfs/dbraw/zinc/06/02/37/191060237.db2.gz DTTRUVODBCZXSB-UHFFFAOYSA-N 2 2 308.389 1.562 50 0 DDAALP C[N@@H+](Cc1cc2n(n1)CC[NH2+]C2)Cc1ccc2nccnc2c1 ZINC000072158256 191060239 /nfs/dbraw/zinc/06/02/39/191060239.db2.gz DTTRUVODBCZXSB-UHFFFAOYSA-N 2 2 308.389 1.562 50 0 DDAALP COCCn1cc[nH+]c1CN1CC[NH2+][C@H](c2ccccc2)C1 ZINC000230487282 354327331 /nfs/dbraw/zinc/32/73/31/354327331.db2.gz NBLSTGZDNMEGNR-INIZCTEOSA-N 2 2 300.406 1.676 50 0 DDAALP COCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC000091494107 193064110 /nfs/dbraw/zinc/06/41/10/193064110.db2.gz HEMRUQMNPCVOKB-OAHLLOKOSA-N 2 2 320.437 1.331 50 0 DDAALP CCc1[nH+]c2ccccc2n1CC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000057553360 184042149 /nfs/dbraw/zinc/04/21/49/184042149.db2.gz ODEXRQIQFFMXHN-CYBMUJFWSA-N 2 2 312.417 1.952 50 0 DDAALP CCc1[nH+]c2ccccc2n1CC(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000057553360 184042150 /nfs/dbraw/zinc/04/21/50/184042150.db2.gz ODEXRQIQFFMXHN-CYBMUJFWSA-N 2 2 312.417 1.952 50 0 DDAALP Cc1nn(C)c(N(C)C)c1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000058421535 184115737 /nfs/dbraw/zinc/11/57/37/184115737.db2.gz NYHHKJGEKIGZAI-UHFFFAOYSA-N 2 2 305.470 1.759 50 0 DDAALP C[N@H+](CC(=O)N1CCC2(CC[NH+](C)C2)CC1)Cc1ccncc1 ZINC000065385937 184333520 /nfs/dbraw/zinc/33/35/20/184333520.db2.gz VBMZCRPARWRBLT-UHFFFAOYSA-N 2 2 316.449 1.458 50 0 DDAALP C[N@@H+](CC(=O)N1CCC2(CC[NH+](C)C2)CC1)Cc1ccncc1 ZINC000065385937 184333521 /nfs/dbraw/zinc/33/35/21/184333521.db2.gz VBMZCRPARWRBLT-UHFFFAOYSA-N 2 2 316.449 1.458 50 0 DDAALP C[NH+](CC(=O)N1CCC2(CC[N@H+](C)C2)CC1)Cc1ccncc1 ZINC000065385937 184333523 /nfs/dbraw/zinc/33/35/23/184333523.db2.gz VBMZCRPARWRBLT-UHFFFAOYSA-N 2 2 316.449 1.458 50 0 DDAALP C[NH+](CC(=O)N1CCC2(CC[N@@H+](C)C2)CC1)Cc1ccncc1 ZINC000065385937 184333524 /nfs/dbraw/zinc/33/35/24/184333524.db2.gz VBMZCRPARWRBLT-UHFFFAOYSA-N 2 2 316.449 1.458 50 0 DDAALP COc1cc(C[NH2+][C@H]2CC[NH2+]C2)ccc1OCC[NH+]1CCCC1 ZINC000065394385 184334733 /nfs/dbraw/zinc/33/47/33/184334733.db2.gz YYTYLEHFNYVXEX-INIZCTEOSA-N 3 2 319.449 1.621 50 0 DDAALP C[NH+](C)C[C@H]1CCCCN1C(=O)Cc1cn2ccccc2[nH+]1 ZINC000069697994 406757622 /nfs/dbraw/zinc/75/76/22/406757622.db2.gz CGOGKBGXZMHEPN-OAHLLOKOSA-N 2 2 300.406 1.820 50 0 DDAALP CN(Cc1[nH]cc[nH+]1)C(=O)[C@H]1CCC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000071439726 406840165 /nfs/dbraw/zinc/84/01/65/406840165.db2.gz LULJRJJXWCIRON-AWEZNQCLSA-N 3 2 319.453 1.174 50 0 DDAALP CN(Cc1[nH]cc[nH+]1)C(=O)[C@H]1CCC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000071439726 406840169 /nfs/dbraw/zinc/84/01/69/406840169.db2.gz LULJRJJXWCIRON-AWEZNQCLSA-N 3 2 319.453 1.174 50 0 DDAALP C[C@H](Cn1cccn1)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000071877177 406859274 /nfs/dbraw/zinc/85/92/74/406859274.db2.gz IENVCDXVNNQILO-CRAIPNDOSA-N 2 2 314.433 1.280 50 0 DDAALP C[C@H](Cn1cccn1)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000071877177 406859275 /nfs/dbraw/zinc/85/92/75/406859275.db2.gz IENVCDXVNNQILO-CRAIPNDOSA-N 2 2 314.433 1.280 50 0 DDAALP CCCn1cc[nH+]c1CN1CCC2(CC1)C(=O)NCCC[N@H+]2C ZINC000067974895 407293224 /nfs/dbraw/zinc/29/32/24/407293224.db2.gz NIUDMPHFUQAREK-UHFFFAOYSA-N 2 2 319.453 1.079 50 0 DDAALP CCCn1cc[nH+]c1CN1CCC2(CC1)C(=O)NCCC[N@@H+]2C ZINC000067974895 407293227 /nfs/dbraw/zinc/29/32/27/407293227.db2.gz NIUDMPHFUQAREK-UHFFFAOYSA-N 2 2 319.453 1.079 50 0 DDAALP C[NH+](C)C1CC[NH+](CCNc2ccc3nccnc3n2)CC1 ZINC000170652394 407466475 /nfs/dbraw/zinc/46/64/75/407466475.db2.gz UFDSXXAJSJZDQI-UHFFFAOYSA-N 2 2 300.410 1.463 50 0 DDAALP [NH3+][C@@H]1CCCN(Cc2ccccc2OCC[NH+]2CCOCC2)C1 ZINC000216348415 407494901 /nfs/dbraw/zinc/49/49/01/407494901.db2.gz HUKFUDMQNWQRGW-QGZVFWFLSA-N 2 2 319.449 1.321 50 0 DDAALP Cc1cc(C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)on1 ZINC000171589900 407711269 /nfs/dbraw/zinc/71/12/69/407711269.db2.gz VCFWVILHIULTPY-UHFFFAOYSA-N 2 2 303.410 1.776 50 0 DDAALP Cc1cc(C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)on1 ZINC000171589900 407711278 /nfs/dbraw/zinc/71/12/78/407711278.db2.gz VCFWVILHIULTPY-UHFFFAOYSA-N 2 2 303.410 1.776 50 0 DDAALP COCC[N@@H+]1CCC[C@H]([NH2+][C@H]2CCN(CC(F)(F)F)C2)C1 ZINC000252517435 408803833 /nfs/dbraw/zinc/80/38/33/408803833.db2.gz IMLSAMCKOOCULS-STQMWFEESA-N 2 2 309.376 1.323 50 0 DDAALP COCC[N@H+]1CCC[C@H]([NH2+][C@H]2CCN(CC(F)(F)F)C2)C1 ZINC000252517435 408803837 /nfs/dbraw/zinc/80/38/37/408803837.db2.gz IMLSAMCKOOCULS-STQMWFEESA-N 2 2 309.376 1.323 50 0 DDAALP C[C@@H]([NH3+])C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000168598709 408818736 /nfs/dbraw/zinc/81/87/36/408818736.db2.gz YNEBDVSQJJKCHW-MFKMUULPSA-N 2 2 313.804 1.907 50 0 DDAALP CC(C)[N@@H+]1CC[C@H](CN(C)C(=O)C[NH+](C)Cc2ccccn2)C1 ZINC000299795652 410636098 /nfs/dbraw/zinc/63/60/98/410636098.db2.gz LPCYOLWIRFZQAU-MRXNPFEDSA-N 2 2 318.465 1.702 50 0 DDAALP CC(C)[N@H+]1CC[C@H](CN(C)C(=O)C[NH+](C)Cc2ccccn2)C1 ZINC000299795652 410636104 /nfs/dbraw/zinc/63/61/04/410636104.db2.gz LPCYOLWIRFZQAU-MRXNPFEDSA-N 2 2 318.465 1.702 50 0 DDAALP CC(C)[NH+]1CC[C@H](CN(C)C(=O)C[N@H+](C)Cc2ccccn2)C1 ZINC000299795652 410636107 /nfs/dbraw/zinc/63/61/07/410636107.db2.gz LPCYOLWIRFZQAU-MRXNPFEDSA-N 2 2 318.465 1.702 50 0 DDAALP CC(C)[NH+]1CC[C@H](CN(C)C(=O)C[N@@H+](C)Cc2ccccn2)C1 ZINC000299795652 410636112 /nfs/dbraw/zinc/63/61/12/410636112.db2.gz LPCYOLWIRFZQAU-MRXNPFEDSA-N 2 2 318.465 1.702 50 0 DDAALP Cn1ncc2c1nc(NC[C@@H]1CC[N@@H+](C(C)(C)C)C1)[nH+]c2N ZINC000534582543 416506302 /nfs/dbraw/zinc/50/63/02/416506302.db2.gz UJJODQYQBLSGRQ-JTQLQIEISA-N 2 2 303.414 1.478 50 0 DDAALP Cn1ncc2c1nc(NC[C@@H]1CC[N@H+](C(C)(C)C)C1)[nH+]c2N ZINC000534582543 416506305 /nfs/dbraw/zinc/50/63/05/416506305.db2.gz UJJODQYQBLSGRQ-JTQLQIEISA-N 2 2 303.414 1.478 50 0 DDAALP C[C@@](O)(C[NH+]1CCC(CO)([NH2+]CC2CC2)CC1)C(F)(F)F ZINC000328599145 289117013 /nfs/dbraw/zinc/11/70/13/289117013.db2.gz QBKKKPCXZKKOLX-GFCCVEGCSA-N 2 2 310.360 1.126 50 0 DDAALP Cc1[nH+]ccn1CCN(C)C(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000534632905 334308168 /nfs/dbraw/zinc/30/81/68/334308168.db2.gz OYGODIJUHYTZET-CQSZACIVSA-N 2 2 316.409 1.718 50 0 DDAALP CCOC(=O)N1CCC([NH2+][C@H]2COC[C@@H]2[NH+]2CCCC2)CC1 ZINC000534647288 334315826 /nfs/dbraw/zinc/31/58/26/334315826.db2.gz UIBKCUCSWWRSCG-GJZGRUSLSA-N 2 2 311.426 1.060 50 0 DDAALP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+](Cc2cc(=O)[nH]c(=O)[nH]2)C1 ZINC000828407761 759640942 /nfs/dbraw/zinc/64/09/42/759640942.db2.gz LZKIXSAJLXIICW-GFCCVEGCSA-N 2 2 303.366 1.305 50 0 DDAALP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+](Cc2cc(=O)[nH]c(=O)[nH]2)C1 ZINC000828407761 759640945 /nfs/dbraw/zinc/64/09/45/759640945.db2.gz LZKIXSAJLXIICW-GFCCVEGCSA-N 2 2 303.366 1.305 50 0 DDAALP Cc1cccc(C[NH+]2CCC(c3[nH+]ccn3CC(N)=O)CC2)n1 ZINC000095531254 185378960 /nfs/dbraw/zinc/37/89/60/185378960.db2.gz FRHPHLLWQXKJAW-UHFFFAOYSA-N 2 2 313.405 1.451 50 0 DDAALP Cc1ccc([C@@H]2C[N@H+](CCC(=O)N3CC[NH+](C)CC3)CCO2)o1 ZINC000328586394 231230105 /nfs/dbraw/zinc/23/01/05/231230105.db2.gz MIOMNGFCORRQCH-INIZCTEOSA-N 2 2 321.421 1.125 50 0 DDAALP Cc1ccc([C@@H]2C[N@@H+](CCC(=O)N3CC[NH+](C)CC3)CCO2)o1 ZINC000328586394 231230110 /nfs/dbraw/zinc/23/01/10/231230110.db2.gz MIOMNGFCORRQCH-INIZCTEOSA-N 2 2 321.421 1.125 50 0 DDAALP COCC[N@@H+]1CC[C@@H](CN(C)c2[nH+]cnc3c2c(C)nn3C)C1 ZINC000072475970 191176696 /nfs/dbraw/zinc/17/66/96/191176696.db2.gz XBACQNHCLXFPIU-ZDUSSCGKSA-N 2 2 318.425 1.076 50 0 DDAALP COCC[N@H+]1CC[C@@H](CN(C)c2[nH+]cnc3c2c(C)nn3C)C1 ZINC000072475970 191176698 /nfs/dbraw/zinc/17/66/98/191176698.db2.gz XBACQNHCLXFPIU-ZDUSSCGKSA-N 2 2 318.425 1.076 50 0 DDAALP CC(C)[C@@H](C(=O)N[C@@H]1CCc2[nH+]ccn2C1)[NH+]1CCCCC1 ZINC000072273710 353195814 /nfs/dbraw/zinc/19/58/14/353195814.db2.gz RUQBTRQUVJVNLH-ZBFHGGJFSA-N 2 2 304.438 1.825 50 0 DDAALP C[NH+]1CCN([C@H]2COC[C@@H]2Nc2[nH+]ccc3ccccc32)CC1 ZINC000584887149 354790522 /nfs/dbraw/zinc/79/05/22/354790522.db2.gz KRRSJSOYHOAADW-IRXDYDNUSA-N 2 2 312.417 1.662 50 0 DDAALP Cc1nc(NCC2(C[NH+]3CCN(C)CC3)CC2)c(C)c(C)[nH+]1 ZINC000091651026 193084552 /nfs/dbraw/zinc/08/45/52/193084552.db2.gz LLGCAYQALDHRGU-UHFFFAOYSA-N 2 2 303.454 1.841 50 0 DDAALP Cc1nc(NCC2(CN3CC[NH+](C)CC3)CC2)c(C)c(C)[nH+]1 ZINC000091651026 193084554 /nfs/dbraw/zinc/08/45/54/193084554.db2.gz LLGCAYQALDHRGU-UHFFFAOYSA-N 2 2 303.454 1.841 50 0 DDAALP C[C@H](Cn1cc[nH+]c1)NC(=O)NCc1cc[nH+]c(N(C)C)c1 ZINC000065402351 184337269 /nfs/dbraw/zinc/33/72/69/184337269.db2.gz IJXXLELAWXEXTG-GFCCVEGCSA-N 2 2 302.382 1.232 50 0 DDAALP C[C@H](Cn1cc[nH+]c1)[NH2+]CC1(N2CCOCC2)CCCCC1 ZINC000065527065 184360347 /nfs/dbraw/zinc/36/03/47/184360347.db2.gz SXFAXHMPAVPNLN-MRXNPFEDSA-N 2 2 306.454 1.896 50 0 DDAALP O[C@@H](C[NH+]1CCC(C[NH2+]Cc2ccn[nH]2)CC1)c1ccccc1 ZINC000069490780 285301042 /nfs/dbraw/zinc/30/10/42/285301042.db2.gz KTOZFVQMWXGKRB-SFHVURJKSA-N 2 2 314.433 1.945 50 0 DDAALP O=C(CSCC[NH+]1CCCC1)N1CCCn2c[nH+]cc2C1 ZINC000072163864 406874591 /nfs/dbraw/zinc/87/45/91/406874591.db2.gz CFSGLJMGOGXJBQ-UHFFFAOYSA-N 2 2 308.451 1.444 50 0 DDAALP [NH3+]CCn1ncc2c1nc[nH+]c2N1CCN(c2ccccc2)CC1 ZINC000026421583 406904536 /nfs/dbraw/zinc/90/45/36/406904536.db2.gz VIZFUPILPNZDGS-UHFFFAOYSA-N 2 2 323.404 1.112 50 0 DDAALP C[C@H](Cn1cc[nH+]c1)NC(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000048313775 407094460 /nfs/dbraw/zinc/09/44/60/407094460.db2.gz LXMRKXXXZJFOCU-OCCSQVGLSA-N 2 2 321.450 1.935 50 0 DDAALP O=C(C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)NC1CCCCC1 ZINC000089884980 407155101 /nfs/dbraw/zinc/15/51/01/407155101.db2.gz CVRVBIULBJUUAU-MRXNPFEDSA-N 2 2 303.406 1.984 50 0 DDAALP O=C(C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)NC1CCCCC1 ZINC000089884980 407155104 /nfs/dbraw/zinc/15/51/04/407155104.db2.gz CVRVBIULBJUUAU-MRXNPFEDSA-N 2 2 303.406 1.984 50 0 DDAALP CCc1c[nH+]c(N)nc1N1CC[NH+](C[C@H]2CCC[N@H+](C)C2)CC1 ZINC000095359157 407208960 /nfs/dbraw/zinc/20/89/60/407208960.db2.gz PWMJTODRAJBQLR-AWEZNQCLSA-N 3 2 318.469 1.085 50 0 DDAALP CCc1c[nH+]c(N)nc1N1CC[NH+](C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000095359157 407208962 /nfs/dbraw/zinc/20/89/62/407208962.db2.gz PWMJTODRAJBQLR-AWEZNQCLSA-N 3 2 318.469 1.085 50 0 DDAALP C[C@@H]1C[NH+](CCN(C)CC[N@H+]2C[C@H](C)OC[C@@H]2C)[C@H](C)CO1 ZINC000095972758 407219598 /nfs/dbraw/zinc/21/95/98/407219598.db2.gz PETNUGAWVIEURH-WNKDZCFJSA-N 2 2 313.486 1.137 50 0 DDAALP C[C@@H]1C[NH+](CCN(C)CC[N@@H+]2C[C@H](C)OC[C@@H]2C)[C@H](C)CO1 ZINC000095972758 407219600 /nfs/dbraw/zinc/21/96/00/407219600.db2.gz PETNUGAWVIEURH-WNKDZCFJSA-N 2 2 313.486 1.137 50 0 DDAALP C[C@@H]1C[N@@H+](CCN(C)CC[NH+]2C[C@H](C)OC[C@@H]2C)[C@H](C)CO1 ZINC000095972758 407219602 /nfs/dbraw/zinc/21/96/02/407219602.db2.gz PETNUGAWVIEURH-WNKDZCFJSA-N 2 2 313.486 1.137 50 0 DDAALP C[C@@H]1C[N@H+](CCN(C)CC[NH+]2C[C@H](C)OC[C@@H]2C)[C@H](C)CO1 ZINC000095972758 407219603 /nfs/dbraw/zinc/21/96/03/407219603.db2.gz PETNUGAWVIEURH-WNKDZCFJSA-N 2 2 313.486 1.137 50 0 DDAALP Cc1cc[nH+]c(N2CCN(c3nc[nH+]c(N)c3Cl)CC2)c1 ZINC000225481920 407590634 /nfs/dbraw/zinc/59/06/34/407590634.db2.gz ICCRHGIKADKWNW-UHFFFAOYSA-N 2 2 304.785 1.742 50 0 DDAALP c1cc2n(n1)C[C@@H](C[NH2+][C@@H]1CC[N@H+](Cc3ccccc3)C1)CN2 ZINC000229537030 407665536 /nfs/dbraw/zinc/66/55/36/407665536.db2.gz GCXVQXUBPIXJIC-DLBZAZTESA-N 2 2 311.433 1.789 50 0 DDAALP c1cc2n(n1)C[C@@H](C[NH2+][C@@H]1CC[N@@H+](Cc3ccccc3)C1)CN2 ZINC000229537030 407665542 /nfs/dbraw/zinc/66/55/42/407665542.db2.gz GCXVQXUBPIXJIC-DLBZAZTESA-N 2 2 311.433 1.789 50 0 DDAALP C[NH+]1CCC([N@@H+]2CCC[C@H]2C(=O)NCCCc2[nH]cc[nH+]2)CC1 ZINC000244678709 407932647 /nfs/dbraw/zinc/93/26/47/407932647.db2.gz IIRRYYAKZZUALW-HNNXBMFYSA-N 3 2 319.453 1.017 50 0 DDAALP C[NH+]1CCC([N@H+]2CCC[C@H]2C(=O)NCCCc2[nH]cc[nH+]2)CC1 ZINC000244678709 407932655 /nfs/dbraw/zinc/93/26/55/407932655.db2.gz IIRRYYAKZZUALW-HNNXBMFYSA-N 3 2 319.453 1.017 50 0 DDAALP O[C@@H]1C[NH2+]C[C@H]1[NH2+]C1CCN(c2ccc3c(c2)CCC3)CC1 ZINC000426584163 419514265 /nfs/dbraw/zinc/51/42/65/419514265.db2.gz XJQIUXPFEJTAIZ-QZTJIDSGSA-N 2 2 301.434 1.066 50 0 DDAALP Cc1c[nH+]c(NC[C@@H](c2ccccn2)[NH+](C)C)nc1N(C)C ZINC000065397885 274826989 /nfs/dbraw/zinc/82/69/89/274826989.db2.gz VYLQPKXMCHSAAC-AWEZNQCLSA-N 2 2 300.410 1.961 50 0 DDAALP C[NH+]1CCN(c2cc3c(n[nH+]2)N2CCN3c3ccccc32)CC1 ZINC000004350852 277112711 /nfs/dbraw/zinc/11/27/11/277112711.db2.gz LPIJIMLEVPALJG-UHFFFAOYSA-N 2 2 308.389 1.832 50 0 DDAALP CCc1[nH+]ccn1CCC(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000011664346 696046986 /nfs/dbraw/zinc/04/69/86/696046986.db2.gz GNSWDOHLFLSOET-OAHLLOKOSA-N 2 2 320.437 1.159 50 0 DDAALP Cc1nc(C[N@@H+]2CCC[C@@H](CNC(=O)C3([NH3+])CCCC3)C2)c[nH]1 ZINC000067920826 696365332 /nfs/dbraw/zinc/36/53/32/696365332.db2.gz OCKABOKWCUGHOU-AWEZNQCLSA-N 2 2 319.453 1.318 50 0 DDAALP Cc1nc(C[N@H+]2CCC[C@@H](CNC(=O)C3([NH3+])CCCC3)C2)c[nH]1 ZINC000067920826 696365334 /nfs/dbraw/zinc/36/53/34/696365334.db2.gz OCKABOKWCUGHOU-AWEZNQCLSA-N 2 2 319.453 1.318 50 0 DDAALP Cc1ncc(C[N@@H+]2CCC[C@@H](CNC(=O)C3([NH3+])CCCC3)C2)[nH]1 ZINC000067920826 696365337 /nfs/dbraw/zinc/36/53/37/696365337.db2.gz OCKABOKWCUGHOU-AWEZNQCLSA-N 2 2 319.453 1.318 50 0 DDAALP Cc1ncc(C[N@H+]2CCC[C@@H](CNC(=O)C3([NH3+])CCCC3)C2)[nH]1 ZINC000067920826 696365340 /nfs/dbraw/zinc/36/53/40/696365340.db2.gz OCKABOKWCUGHOU-AWEZNQCLSA-N 2 2 319.453 1.318 50 0 DDAALP CC(=O)N1CC[NH+](C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000000757048 352110180 /nfs/dbraw/zinc/11/01/80/352110180.db2.gz RIYWMKFFSRRQRX-UHFFFAOYSA-N 2 2 301.434 1.815 50 0 DDAALP Cc1ccc2[nH]c(CCC[NH2+]C[C@]3(O)CCC[NH2+]C3)[nH+]c2c1C ZINC000072478048 191179968 /nfs/dbraw/zinc/17/99/68/191179968.db2.gz JQOPLHYGRKBDNY-GOSISDBHSA-N 3 2 316.449 1.816 50 0 DDAALP Cc1ccc2[nH+]c(CCC[NH2+]C[C@]3(O)CCC[NH2+]C3)[nH]c2c1C ZINC000072478048 191179969 /nfs/dbraw/zinc/17/99/69/191179969.db2.gz JQOPLHYGRKBDNY-GOSISDBHSA-N 3 2 316.449 1.816 50 0 DDAALP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)c2ccc(C[NH3+])o2)C[C@@H](C)O1 ZINC000237409081 202258238 /nfs/dbraw/zinc/25/82/38/202258238.db2.gz JWQWZSHQCDSQFP-MGPQQGTHSA-N 2 2 321.421 1.452 50 0 DDAALP Cc1n[nH]cc1C[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000071834558 406850107 /nfs/dbraw/zinc/85/01/07/406850107.db2.gz RNEZXKJBEBUWPR-UHFFFAOYSA-N 2 2 300.410 1.155 50 0 DDAALP CC[C@@H](O)C[NH+]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000071881100 406860932 /nfs/dbraw/zinc/86/09/32/406860932.db2.gz NSQMSNVYUYOYRI-IAGOWNOFSA-N 2 2 319.449 1.204 50 0 DDAALP CCn1cc[nH+]c1CN1CC[N@H+](CCC(C)C)[C@H](CCO)C1 ZINC000036385579 406979556 /nfs/dbraw/zinc/97/95/56/406979556.db2.gz LATNIGNSCQDDOK-MRXNPFEDSA-N 2 2 308.470 1.818 50 0 DDAALP CCn1cc[nH+]c1CN1CC[N@@H+](CCC(C)C)[C@H](CCO)C1 ZINC000036385579 406979558 /nfs/dbraw/zinc/97/95/58/406979558.db2.gz LATNIGNSCQDDOK-MRXNPFEDSA-N 2 2 308.470 1.818 50 0 DDAALP CCCn1cc[nH+]c1CN1CC[C@](O)(C[NH+]2CCCCC2)C1 ZINC000077506079 406993544 /nfs/dbraw/zinc/99/35/44/406993544.db2.gz SSFMITTWLIBXAW-KRWDZBQOSA-N 2 2 306.454 1.716 50 0 DDAALP C[C@@H](Cn1cc[nH+]c1)NC(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000048313777 407095287 /nfs/dbraw/zinc/09/52/87/407095287.db2.gz LXMRKXXXZJFOCU-GXTWGEPZSA-N 2 2 321.450 1.935 50 0 DDAALP CCc1[nH+]c2ccccc2n1CC(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000089295848 407129177 /nfs/dbraw/zinc/12/91/77/407129177.db2.gz XOXLRPPNRGCIGB-ZDUSSCGKSA-N 2 2 300.406 1.761 50 0 DDAALP CCc1[nH+]c2ccccc2n1CC(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000089295848 407129179 /nfs/dbraw/zinc/12/91/79/407129179.db2.gz XOXLRPPNRGCIGB-ZDUSSCGKSA-N 2 2 300.406 1.761 50 0 DDAALP CCN1CC[C@@]2(CN(c3cc[nH+]cc3F)CC[N@@H+]2C)CCC1=O ZINC000095366576 407209620 /nfs/dbraw/zinc/20/96/20/407209620.db2.gz LVVHGGFMFSYFGV-QGZVFWFLSA-N 2 2 320.412 1.744 50 0 DDAALP CCN1CC[C@@]2(CN(c3cc[nH+]cc3F)CC[N@H+]2C)CCC1=O ZINC000095366576 407209621 /nfs/dbraw/zinc/20/96/21/407209621.db2.gz LVVHGGFMFSYFGV-QGZVFWFLSA-N 2 2 320.412 1.744 50 0 DDAALP CC[NH+]1CCN(C(=O)CC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000066468192 407250787 /nfs/dbraw/zinc/25/07/87/407250787.db2.gz JPGCKISYWWHIAS-UHFFFAOYSA-N 2 2 316.449 1.852 50 0 DDAALP CC(C)[NH+]1CCC(CC(=O)NCC2=CSC3=[NH+]CCN23)CC1 ZINC000102841833 407327929 /nfs/dbraw/zinc/32/79/29/407327929.db2.gz WCGMLFAUUPDISX-UHFFFAOYSA-N 2 2 322.478 1.873 50 0 DDAALP CCSc1ncc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)C2)cn1 ZINC000097499635 407299099 /nfs/dbraw/zinc/29/90/99/407299099.db2.gz VGMODHXJSKVRLD-OAHLLOKOSA-N 2 2 321.494 1.410 50 0 DDAALP CCSc1ncc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)C2)cn1 ZINC000097499635 407299100 /nfs/dbraw/zinc/29/91/00/407299100.db2.gz VGMODHXJSKVRLD-OAHLLOKOSA-N 2 2 321.494 1.410 50 0 DDAALP Cc1c[nH+]c(CC[C@@H]2CCCN2C(=O)CCn2cc[nH+]c2)n1C ZINC000257175798 407480039 /nfs/dbraw/zinc/48/00/39/407480039.db2.gz QWCYWRDBCGRLIR-HNNXBMFYSA-N 2 2 315.421 1.939 50 0 DDAALP C[NH+](C)Cc1cnc(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)s1 ZINC000241776759 407912750 /nfs/dbraw/zinc/91/27/50/407912750.db2.gz RSFSCGHFAPOKDX-QWHCGFSZSA-N 2 2 313.492 1.911 50 0 DDAALP C[NH+](C)Cc1cnc(C[N@H+]2CCS[C@@H]3COCC[C@@H]32)s1 ZINC000241776759 407912755 /nfs/dbraw/zinc/91/27/55/407912755.db2.gz RSFSCGHFAPOKDX-QWHCGFSZSA-N 2 2 313.492 1.911 50 0 DDAALP Cn1cc[nH+]c1CN(c1cc([C@@H]2CCOC2)[nH+]c(N)n1)C1CC1 ZINC000299760762 410611887 /nfs/dbraw/zinc/61/18/87/410611887.db2.gz JWHSDAXDCHKSIO-LLVKDONJSA-N 2 2 314.393 1.465 50 0 DDAALP Cc1cc(C)c(C[N@@H+]2CCO[C@@H](C[NH3+])C2)cc1Cn1cncn1 ZINC000426395442 419456229 /nfs/dbraw/zinc/45/62/29/419456229.db2.gz VYQNNMBTRCIEBA-KRWDZBQOSA-N 2 2 315.421 1.103 50 0 DDAALP Cc1cc(C)c(C[N@H+]2CCO[C@@H](C[NH3+])C2)cc1Cn1cncn1 ZINC000426395442 419456235 /nfs/dbraw/zinc/45/62/35/419456235.db2.gz VYQNNMBTRCIEBA-KRWDZBQOSA-N 2 2 315.421 1.103 50 0 DDAALP Cc1ccc2[nH]c(CCNC(=O)N3CC[NH2+][C@H](C)C3)[nH+]c2c1C ZINC000534671365 334320652 /nfs/dbraw/zinc/32/06/52/334320652.db2.gz VEGJLQACBFBZAQ-GFCCVEGCSA-N 2 2 315.421 1.726 50 0 DDAALP CC(C)CN(Cc1ccccn1)C(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC000055166714 696282479 /nfs/dbraw/zinc/28/24/79/696282479.db2.gz TVBRFLOPNBASBD-HNNXBMFYSA-N 2 2 301.394 1.359 50 0 DDAALP CCN(CC[NH+](C)C)C(=O)[C@@H]1Cc2nc[nH]c2C2(CCCC2)[NH2+]1 ZINC000675013473 737517373 /nfs/dbraw/zinc/51/73/73/737517373.db2.gz FSDPEXWFWPTNBB-AWEZNQCLSA-N 2 2 319.453 1.103 50 0 DDAALP CC(C)[N@@H+]1CCCC[C@@H]1CCNc1cc2nncn2c(N)[nH+]1 ZINC000821751119 758174788 /nfs/dbraw/zinc/17/47/88/758174788.db2.gz GVDOXMVHGKSWKC-GFCCVEGCSA-N 2 2 303.414 1.771 50 0 DDAALP CC(C)[N@H+]1CCCC[C@@H]1CCNc1cc2nncn2c(N)[nH+]1 ZINC000821751119 758174790 /nfs/dbraw/zinc/17/47/90/758174790.db2.gz GVDOXMVHGKSWKC-GFCCVEGCSA-N 2 2 303.414 1.771 50 0 DDAALP CC(C)[C@@H](C(=O)N[C@H]1CCc2[nH+]ccn2C1)[NH+]1CCCCC1 ZINC000072273712 353195502 /nfs/dbraw/zinc/19/55/02/353195502.db2.gz RUQBTRQUVJVNLH-HOCLYGCPSA-N 2 2 304.438 1.825 50 0 DDAALP Cc1nc(N2CCC[N@@H+](C)C3(CC[NH2+]CC3)C2)c(C)c(C)[nH+]1 ZINC000091321825 193040321 /nfs/dbraw/zinc/04/03/21/193040321.db2.gz DDWOWHKXSUZTFV-UHFFFAOYSA-N 3 2 303.454 1.666 50 0 DDAALP Cc1nc(N2CCC[N@H+](C)C3(CC[NH2+]CC3)C2)c(C)c(C)[nH+]1 ZINC000091321825 193040323 /nfs/dbraw/zinc/04/03/23/193040323.db2.gz DDWOWHKXSUZTFV-UHFFFAOYSA-N 3 2 303.454 1.666 50 0 DDAALP Cc1ccc(N2CC[NH+]([C@@H](C)C(=O)NCC[NH+](C)C)CC2)cc1 ZINC000034668335 406964188 /nfs/dbraw/zinc/96/41/88/406964188.db2.gz CTFQQXGGRLJCNV-INIZCTEOSA-N 2 2 318.465 1.183 50 0 DDAALP C[C@H]1C[C@@H](Nc2cnn(CC[NH+]3CCOCC3)c2)C[N@@H+]1C1CC1 ZINC000096493827 407272229 /nfs/dbraw/zinc/27/22/29/407272229.db2.gz CHTOXKQMRVXJJI-LSDHHAIUSA-N 2 2 319.453 1.252 50 0 DDAALP C[C@H]1C[C@@H](Nc2cnn(CC[NH+]3CCOCC3)c2)C[N@H+]1C1CC1 ZINC000096493827 407272231 /nfs/dbraw/zinc/27/22/31/407272231.db2.gz CHTOXKQMRVXJJI-LSDHHAIUSA-N 2 2 319.453 1.252 50 0 DDAALP COCc1cc(C[N@@H+]2CC[C@@](O)(C[NH+](C)C)C2)ccc1OC ZINC000216235743 407495668 /nfs/dbraw/zinc/49/56/68/407495668.db2.gz YQBUNEOVLGOPMX-QGZVFWFLSA-N 2 2 308.422 1.340 50 0 DDAALP COCc1cc(C[N@H+]2CC[C@@](O)(C[NH+](C)C)C2)ccc1OC ZINC000216235743 407495675 /nfs/dbraw/zinc/49/56/75/407495675.db2.gz YQBUNEOVLGOPMX-QGZVFWFLSA-N 2 2 308.422 1.340 50 0 DDAALP COC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000225397099 407581531 /nfs/dbraw/zinc/58/15/31/407581531.db2.gz WAFSDMXKRFPDPB-KGLIPLIRSA-N 2 2 300.362 1.699 50 0 DDAALP Nc1nc(NCCOCc2ccccc2)cc(C2CC([NH3+])C2)[nH+]1 ZINC000220497734 407540363 /nfs/dbraw/zinc/54/03/63/407540363.db2.gz IDMLDZGTLMSVIC-UHFFFAOYSA-N 2 2 313.405 1.892 50 0 DDAALP C[C@H](CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1)Cn1cc[nH+]c1 ZINC000193319836 163252848 /nfs/dbraw/zinc/25/28/48/163252848.db2.gz UVCLYUIMZBDRIG-GDBMZVCRSA-N 2 2 320.437 1.279 50 0 DDAALP C[C@H](CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1)Cn1cc[nH+]c1 ZINC000193319836 163252850 /nfs/dbraw/zinc/25/28/50/163252850.db2.gz UVCLYUIMZBDRIG-GDBMZVCRSA-N 2 2 320.437 1.279 50 0 DDAALP Cc1[nH+]c(CN(C)C[C@@H](C)[NH+]2CCOCC2)c2ccccn12 ZINC000067725687 302587271 /nfs/dbraw/zinc/58/72/71/302587271.db2.gz MIDDDUOYCWZGHC-CQSZACIVSA-N 2 2 302.422 1.795 50 0 DDAALP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1)C1CC1 ZINC000055720115 536134851 /nfs/dbraw/zinc/13/48/51/536134851.db2.gz CZCOXXXJJMZJIT-HZPDHXFCSA-N 2 2 316.449 1.754 50 0 DDAALP O=C1CC[C@@H](CC[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)N1 ZINC000952845514 775569156 /nfs/dbraw/zinc/56/91/56/775569156.db2.gz KUWLNHPHVZVAHZ-LBPRGKRZSA-N 2 2 307.360 1.662 50 0 DDAALP O=C(C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)NCc1cccs1 ZINC000080959357 353639202 /nfs/dbraw/zinc/63/92/02/353639202.db2.gz AAMLTVJCBCDWDH-GFCCVEGCSA-N 2 2 304.419 1.967 50 0 DDAALP O=C(C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)NCc1cccs1 ZINC000080959357 353639206 /nfs/dbraw/zinc/63/92/06/353639206.db2.gz AAMLTVJCBCDWDH-GFCCVEGCSA-N 2 2 304.419 1.967 50 0 DDAALP CC(C)(C)n1cc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)nn1 ZINC000252492212 202847387 /nfs/dbraw/zinc/84/73/87/202847387.db2.gz MFOAJGUXDUYBKI-CQSZACIVSA-N 2 2 321.469 1.624 50 0 DDAALP c1cn(CCCNc2[nH+]cnc3c2cnn3-c2ccccn2)c[nH+]1 ZINC000041531912 183198686 /nfs/dbraw/zinc/19/86/86/183198686.db2.gz CGTNABZIDXDDGA-UHFFFAOYSA-N 2 2 320.360 1.909 50 0 DDAALP C[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2)CCN1Cc1[nH+]ccn1C ZINC000229367913 257260198 /nfs/dbraw/zinc/26/01/98/257260198.db2.gz IAVWJPCIVUYSCI-NVXWUHKLSA-N 2 2 314.433 1.660 50 0 DDAALP C[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2)CCN1Cc1[nH+]ccn1C ZINC000229367913 257260199 /nfs/dbraw/zinc/26/01/99/257260199.db2.gz IAVWJPCIVUYSCI-NVXWUHKLSA-N 2 2 314.433 1.660 50 0 DDAALP CCOc1c(C[NH2+]CCC[NH2+]CCO)cc(Cl)cc1OC ZINC000013733289 406867847 /nfs/dbraw/zinc/86/78/47/406867847.db2.gz ATYIQKOWSHJGMD-UHFFFAOYSA-N 2 2 316.829 1.809 50 0 DDAALP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCCN(c2cccc[nH+]2)C1)C1CC1 ZINC000055720116 407205768 /nfs/dbraw/zinc/20/57/68/407205768.db2.gz CZCOXXXJJMZJIT-HOTGVXAUSA-N 2 2 316.449 1.754 50 0 DDAALP [NH3+][C@@H](Cc1c[nH+]c[nH]1)c1nc(C2CC2)nn1CC(F)(F)F ZINC000096136169 407239957 /nfs/dbraw/zinc/23/99/57/407239957.db2.gz PINPQMJZRBCISA-VIFPVBQESA-N 2 2 300.288 1.683 50 0 DDAALP [NH3+][C@@H](Cc1c[nH]c[nH+]1)c1nc(C2CC2)nn1CC(F)(F)F ZINC000096136169 407239958 /nfs/dbraw/zinc/23/99/58/407239958.db2.gz PINPQMJZRBCISA-VIFPVBQESA-N 2 2 300.288 1.683 50 0 DDAALP CC[NH+]1CCN(C2=[NH+]CCN2C(=O)c2cccc(OC)c2)CC1 ZINC000065306408 407242499 /nfs/dbraw/zinc/24/24/99/407242499.db2.gz ZTMBFVCXTRACMK-UHFFFAOYSA-N 2 2 316.405 1.145 50 0 DDAALP COC(=O)[C@H]1CC[N@H+](CC2(C[NH+]3CCOCC3)CCCCC2)C1 ZINC000096489885 407272687 /nfs/dbraw/zinc/27/26/87/407272687.db2.gz XWTSCJNHZZEYPL-INIZCTEOSA-N 2 2 324.465 1.764 50 0 DDAALP COC(=O)[C@H]1CC[N@@H+](CC2(C[NH+]3CCOCC3)CCCCC2)C1 ZINC000096489885 407272690 /nfs/dbraw/zinc/27/26/90/407272690.db2.gz XWTSCJNHZZEYPL-INIZCTEOSA-N 2 2 324.465 1.764 50 0 DDAALP O[C@H](C[NH2+]Cc1c[nH]nc1-c1cccnc1)C[NH+]1CCCCC1 ZINC000097160065 407284063 /nfs/dbraw/zinc/28/40/63/407284063.db2.gz MWZSQZAKNHIIMU-MRXNPFEDSA-N 2 2 315.421 1.408 50 0 DDAALP CC(C)c1cc(C[NH+]2CCN(c3cc(N)[nH+]c(N)n3)CC2)on1 ZINC000067774817 407284538 /nfs/dbraw/zinc/28/45/38/407284538.db2.gz ZFXKYBMHJGSEII-UHFFFAOYSA-N 2 2 317.397 1.075 50 0 DDAALP Cc1cc(NC(=O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)no1 ZINC000097200488 407286736 /nfs/dbraw/zinc/28/67/36/407286736.db2.gz SEUCDNFYLARNML-ZDUSSCGKSA-N 2 2 315.377 1.751 50 0 DDAALP Cc1cc(NC(=O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)no1 ZINC000097200488 407286737 /nfs/dbraw/zinc/28/67/37/407286737.db2.gz SEUCDNFYLARNML-ZDUSSCGKSA-N 2 2 315.377 1.751 50 0 DDAALP O=c1occ(C[NH+]2CCSCC2)c(O)c1C[NH+]1CCCC1 ZINC000101374021 407309124 /nfs/dbraw/zinc/30/91/24/407309124.db2.gz PULOCPKWNWIEMW-UHFFFAOYSA-N 2 2 310.419 1.490 50 0 DDAALP Cc1nc(N2C[C@@H]3OCC[N@H+](Cc4ccccc4)[C@H]3C2)cc[nH+]1 ZINC000239352428 222210430 /nfs/dbraw/zinc/21/04/30/222210430.db2.gz ACCRXBCQAKCXQA-IRXDYDNUSA-N 2 2 310.401 1.875 50 0 DDAALP Cc1nc(N2C[C@@H]3OCC[N@@H+](Cc4ccccc4)[C@H]3C2)cc[nH+]1 ZINC000239352428 222210433 /nfs/dbraw/zinc/21/04/33/222210433.db2.gz ACCRXBCQAKCXQA-IRXDYDNUSA-N 2 2 310.401 1.875 50 0 DDAALP COC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc2c(c1)C[NH2+]CCO2 ZINC000299791739 277345547 /nfs/dbraw/zinc/34/55/47/277345547.db2.gz HSEGLSPZJFZLBT-HNNXBMFYSA-N 2 2 304.390 1.696 50 0 DDAALP COC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc2c(c1)C[NH2+]CCO2 ZINC000299791739 277345548 /nfs/dbraw/zinc/34/55/48/277345548.db2.gz HSEGLSPZJFZLBT-HNNXBMFYSA-N 2 2 304.390 1.696 50 0 DDAALP O=C(C[NH+]1CCCCCC1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000827939740 759425400 /nfs/dbraw/zinc/42/54/00/759425400.db2.gz ZGIPCEGHDIIKKH-KRWDZBQOSA-N 2 2 323.481 1.576 50 0 DDAALP C[C@@H](C(=O)N[C@H]1CCc2[nH+]ccn2C1)[N@@H+]1CCc2ccccc2C1 ZINC000078927804 185130131 /nfs/dbraw/zinc/13/01/31/185130131.db2.gz RGZBJANEXACSTR-YOEHRIQHSA-N 2 2 324.428 1.761 50 0 DDAALP C[C@@H](C(=O)N[C@H]1CCc2[nH+]ccn2C1)[N@H+]1CCc2ccccc2C1 ZINC000078927804 185130133 /nfs/dbraw/zinc/13/01/33/185130133.db2.gz RGZBJANEXACSTR-YOEHRIQHSA-N 2 2 324.428 1.761 50 0 DDAALP COc1cc(C)c(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1OC ZINC000083455421 192371077 /nfs/dbraw/zinc/37/10/77/192371077.db2.gz SYBVRPFPGGRYMH-HZPDHXFCSA-N 2 2 320.433 1.965 50 0 DDAALP COc1cc(C)c(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1OC ZINC000083455421 192371080 /nfs/dbraw/zinc/37/10/80/192371080.db2.gz SYBVRPFPGGRYMH-HZPDHXFCSA-N 2 2 320.433 1.965 50 0 DDAALP CC(C)[C@H](C(=O)N[C@@H]1CCc2[nH+]ccn2C1)[NH+]1CCCCC1 ZINC000072273711 353195827 /nfs/dbraw/zinc/19/58/27/353195827.db2.gz RUQBTRQUVJVNLH-GDBMZVCRSA-N 2 2 304.438 1.825 50 0 DDAALP CC[N@@H+](Cc1cn(CC2CC[NH2+]CC2)nn1)C[C@H]1CCCO1 ZINC000023146115 182351105 /nfs/dbraw/zinc/35/11/05/182351105.db2.gz MGOXPUVMHUBTMN-MRXNPFEDSA-N 2 2 307.442 1.279 50 0 DDAALP CC[N@H+](Cc1cn(CC2CC[NH2+]CC2)nn1)C[C@H]1CCCO1 ZINC000023146115 182351106 /nfs/dbraw/zinc/35/11/06/182351106.db2.gz MGOXPUVMHUBTMN-MRXNPFEDSA-N 2 2 307.442 1.279 50 0 DDAALP CC[N@@H+]1CC[C@@H](CNC(=O)NCCc2cn3ccccc3[nH+]2)C1 ZINC000065449344 184346327 /nfs/dbraw/zinc/34/63/27/184346327.db2.gz XGEVUPBWUHDXPE-AWEZNQCLSA-N 2 2 315.421 1.518 50 0 DDAALP CC[N@H+]1CC[C@@H](CNC(=O)NCCc2cn3ccccc3[nH+]2)C1 ZINC000065449344 184346329 /nfs/dbraw/zinc/34/63/29/184346329.db2.gz XGEVUPBWUHDXPE-AWEZNQCLSA-N 2 2 315.421 1.518 50 0 DDAALP Cn1ccc2c1nccc2-c1cc(N2CC[NH+](C)CC2)nc(N)[nH+]1 ZINC000077428143 406990453 /nfs/dbraw/zinc/99/04/53/406990453.db2.gz KJFVQZLSCMGRIQ-UHFFFAOYSA-N 2 2 323.404 1.364 50 0 DDAALP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@@H]2CCN(CC(F)(F)F)C2)C1 ZINC000089840207 407153349 /nfs/dbraw/zinc/15/33/49/407153349.db2.gz GNRHGQFNFVUDTO-ZIAGYGMSSA-N 2 2 323.403 1.569 50 0 DDAALP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@@H]2CCN(CC(F)(F)F)C2)C1 ZINC000089840207 407153351 /nfs/dbraw/zinc/15/33/51/407153351.db2.gz GNRHGQFNFVUDTO-ZIAGYGMSSA-N 2 2 323.403 1.569 50 0 DDAALP C[NH+](C)[C@H](CNC(=O)[C@H]1CCCN(c2cccc[nH+]2)C1)C1CC1 ZINC000055720117 407206070 /nfs/dbraw/zinc/20/60/70/407206070.db2.gz CZCOXXXJJMZJIT-JKSUJKDBSA-N 2 2 316.449 1.754 50 0 DDAALP OCCn1ncc2c1nc[nH+]c2NCCCNc1cccc[nH+]1 ZINC000097200222 407286422 /nfs/dbraw/zinc/28/64/22/407286422.db2.gz GUNWLCBSDJLTNM-UHFFFAOYSA-N 2 2 313.365 1.128 50 0 DDAALP c1ccc2[nH+]c(N3CC[NH+](CCC4OCCO4)CC3)[nH]c2c1 ZINC000125301689 407384750 /nfs/dbraw/zinc/38/47/50/407384750.db2.gz HVQKJXHGBNTVJD-UHFFFAOYSA-N 2 2 302.378 1.448 50 0 DDAALP CC[C@H]([NH3+])C(=O)N1CC[NH+](CCc2ccc(OC)cc2)CC1 ZINC000225490149 407591423 /nfs/dbraw/zinc/59/14/23/407591423.db2.gz PRSVTYXNOIPSIJ-INIZCTEOSA-N 2 2 305.422 1.119 50 0 DDAALP [NH3+][C@H]1C[C@@H](c2cc(N3CCN(c4cccc[nH+]4)CC3)ncn2)C1 ZINC000244723773 407934823 /nfs/dbraw/zinc/93/48/23/407934823.db2.gz MHEMFHALRNCQCV-OKILXGFUSA-N 2 2 310.405 1.403 50 0 DDAALP c1[nH+]cn(C2CCCCC2)c1CN1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000244852609 407941188 /nfs/dbraw/zinc/94/11/88/407941188.db2.gz UVQZIPONZHQTGM-KRWDZBQOSA-N 2 2 317.481 1.868 50 0 DDAALP COc1cccc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)n1 ZINC000191124128 408374033 /nfs/dbraw/zinc/37/40/33/408374033.db2.gz XUZLRYNAQUPPDV-CQSZACIVSA-N 2 2 305.422 1.681 50 0 DDAALP CN(C[C@@H]1CC[N@H+](C)C1(C)C)C(=O)C[NH+](C)Cc1ccccn1 ZINC000299766610 410613823 /nfs/dbraw/zinc/61/38/23/410613823.db2.gz KGEBFPZUPVHLIP-HNNXBMFYSA-N 2 2 318.465 1.702 50 0 DDAALP CN(C[C@@H]1CC[N@@H+](C)C1(C)C)C(=O)C[NH+](C)Cc1ccccn1 ZINC000299766610 410613830 /nfs/dbraw/zinc/61/38/30/410613830.db2.gz KGEBFPZUPVHLIP-HNNXBMFYSA-N 2 2 318.465 1.702 50 0 DDAALP CN(C[C@@H]1CC[NH+](C)C1(C)C)C(=O)C[N@H+](C)Cc1ccccn1 ZINC000299766610 410613834 /nfs/dbraw/zinc/61/38/34/410613834.db2.gz KGEBFPZUPVHLIP-HNNXBMFYSA-N 2 2 318.465 1.702 50 0 DDAALP CN(C[C@@H]1CC[NH+](C)C1(C)C)C(=O)C[N@@H+](C)Cc1ccccn1 ZINC000299766610 410613842 /nfs/dbraw/zinc/61/38/42/410613842.db2.gz KGEBFPZUPVHLIP-HNNXBMFYSA-N 2 2 318.465 1.702 50 0 DDAALP CC(C)c1nn(C)c(N(C)C)c1C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000065476344 276071905 /nfs/dbraw/zinc/07/19/05/276071905.db2.gz HBHIMMWZOANPSI-AWEZNQCLSA-N 2 2 323.485 1.156 50 0 DDAALP CCn1nc(C)c([C@H](C)NC(=O)C[N@H+](C)C2CC[NH2+]CC2)c1C ZINC000670452377 484839071 /nfs/dbraw/zinc/83/90/71/484839071.db2.gz SOHNQJGWLSCHOI-LBPRGKRZSA-N 2 2 321.469 1.381 50 0 DDAALP CCn1nc(C)c([C@H](C)NC(=O)C[N@@H+](C)C2CC[NH2+]CC2)c1C ZINC000670452377 484839080 /nfs/dbraw/zinc/83/90/80/484839080.db2.gz SOHNQJGWLSCHOI-LBPRGKRZSA-N 2 2 321.469 1.381 50 0 DDAALP C[NH+](C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C1CC1 ZINC000581801334 761707391 /nfs/dbraw/zinc/70/73/91/761707391.db2.gz UTELRKWDWCRAIT-IAGOWNOFSA-N 2 2 301.434 1.575 50 0 DDAALP C[NH+](C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C1CC1 ZINC000581801334 761707396 /nfs/dbraw/zinc/70/73/96/761707396.db2.gz UTELRKWDWCRAIT-IAGOWNOFSA-N 2 2 301.434 1.575 50 0 DDAALP COCC[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CCN(CC(F)(F)F)C2)C1 ZINC000088716271 185263090 /nfs/dbraw/zinc/26/30/90/185263090.db2.gz IMLSAMCKOOCULS-CHWSQXEVSA-N 2 2 309.376 1.323 50 0 DDAALP COCC[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCN(CC(F)(F)F)C2)C1 ZINC000088716271 185263091 /nfs/dbraw/zinc/26/30/91/185263091.db2.gz IMLSAMCKOOCULS-CHWSQXEVSA-N 2 2 309.376 1.323 50 0 DDAALP COC1(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)CCOCC1 ZINC000090653209 185308041 /nfs/dbraw/zinc/30/80/41/185308041.db2.gz JYOYPGLZPWNIQF-UHFFFAOYSA-N 2 2 319.449 1.831 50 0 DDAALP O=C(NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1)c1ccn2c[nH+]cc2c1 ZINC000095446917 185367811 /nfs/dbraw/zinc/36/78/11/185367811.db2.gz GJKMBAKKZPYBFM-GDBMZVCRSA-N 2 2 314.389 1.317 50 0 DDAALP O=C(NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1)c1ccn2c[nH+]cc2c1 ZINC000095446917 185367812 /nfs/dbraw/zinc/36/78/12/185367812.db2.gz GJKMBAKKZPYBFM-GDBMZVCRSA-N 2 2 314.389 1.317 50 0 DDAALP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2cccnc2C)nc[nH+]1 ZINC000072254078 191088792 /nfs/dbraw/zinc/08/87/92/191088792.db2.gz JWPXVMYSRPDCDG-HNNXBMFYSA-N 2 2 312.421 1.980 50 0 DDAALP Cn1nc2c(cc1=O)C[N@@H+](Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC000072302310 191115281 /nfs/dbraw/zinc/11/52/81/191115281.db2.gz LYPVJCIKZAVYJC-UHFFFAOYSA-N 2 2 321.384 1.524 50 0 DDAALP Cn1nc2c(cc1=O)C[N@H+](Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC000072302310 191115284 /nfs/dbraw/zinc/11/52/84/191115284.db2.gz LYPVJCIKZAVYJC-UHFFFAOYSA-N 2 2 321.384 1.524 50 0 DDAALP c1cn2c([nH+]1)[C@H](C[NH2+]Cc1cnc(N3CCCC3)nc1)CCC2 ZINC000084613345 353725007 /nfs/dbraw/zinc/72/50/07/353725007.db2.gz VPQFRZVNMGUEQT-HNNXBMFYSA-N 2 2 312.421 1.941 50 0 DDAALP [NH3+]Cc1nc2cc(Cc3ccc4nc(C[NH3+])[nH]c4c3)ccc2[nH]1 ZINC000005687383 181272810 /nfs/dbraw/zinc/27/28/10/181272810.db2.gz YSSSNWBTJZFNFW-UHFFFAOYSA-N 2 2 306.373 1.947 50 0 DDAALP [NH3+]Cc1nc2ccc(Cc3ccc4nc(C[NH3+])[nH]c4c3)cc2[nH]1 ZINC000005687383 181272811 /nfs/dbraw/zinc/27/28/11/181272811.db2.gz YSSSNWBTJZFNFW-UHFFFAOYSA-N 2 2 306.373 1.947 50 0 DDAALP COc1cc(C[N@@H+]2C[C@H](CO)[C@H](C[NH+]3CCCC3)C2)ccc1F ZINC000091505644 193066100 /nfs/dbraw/zinc/06/61/00/193066100.db2.gz MZOHYMYMEZLGMT-HZPDHXFCSA-N 2 2 322.424 1.970 50 0 DDAALP COc1cc(C[N@H+]2C[C@H](CO)[C@H](C[NH+]3CCCC3)C2)ccc1F ZINC000091505644 193066102 /nfs/dbraw/zinc/06/61/02/193066102.db2.gz MZOHYMYMEZLGMT-HZPDHXFCSA-N 2 2 322.424 1.970 50 0 DDAALP Cc1cccc(C[N@@H+]2C[C@H](CO)[C@H](C[NH+]3CCCCC3)C2)n1 ZINC000091876666 193121742 /nfs/dbraw/zinc/12/17/42/193121742.db2.gz AJQJEXUSQHUNMU-IAGOWNOFSA-N 2 2 303.450 1.916 50 0 DDAALP Cc1cccc(C[N@H+]2C[C@H](CO)[C@H](C[NH+]3CCCCC3)C2)n1 ZINC000091876666 193121744 /nfs/dbraw/zinc/12/17/44/193121744.db2.gz AJQJEXUSQHUNMU-IAGOWNOFSA-N 2 2 303.450 1.916 50 0 DDAALP C[N@H+](Cc1cn(C[C@H]2CCC[NH2+]C2)nn1)Cc1cccc(O)c1 ZINC000023506460 182362584 /nfs/dbraw/zinc/36/25/84/182362584.db2.gz IFIOCFGIWFENMB-HNNXBMFYSA-N 2 2 315.421 1.615 50 0 DDAALP C[N@@H+](Cc1cn(C[C@H]2CCC[NH2+]C2)nn1)Cc1cccc(O)c1 ZINC000023506460 182362589 /nfs/dbraw/zinc/36/25/89/182362589.db2.gz IFIOCFGIWFENMB-HNNXBMFYSA-N 2 2 315.421 1.615 50 0 DDAALP CCc1[nH+]c2ccccc2n1CC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000057553362 184042267 /nfs/dbraw/zinc/04/22/67/184042267.db2.gz ODEXRQIQFFMXHN-ZDUSSCGKSA-N 2 2 312.417 1.952 50 0 DDAALP CCc1[nH+]c2ccccc2n1CC(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000057553362 184042268 /nfs/dbraw/zinc/04/22/68/184042268.db2.gz ODEXRQIQFFMXHN-ZDUSSCGKSA-N 2 2 312.417 1.952 50 0 DDAALP CN(C)C(=O)C[NH+]1CCC([NH2+]Cc2ccc(F)cc2F)CC1 ZINC000119909015 195060382 /nfs/dbraw/zinc/06/03/82/195060382.db2.gz QMEHOPCFNXDVBO-UHFFFAOYSA-N 2 2 311.376 1.607 50 0 DDAALP O=C(C[N@@H+]1CC[C@@H](c2ccccc2)C1)NCCCc1[nH]cc[nH+]1 ZINC000219903353 257274242 /nfs/dbraw/zinc/27/42/42/257274242.db2.gz TXRXFYOTCYKNNT-MRXNPFEDSA-N 2 2 312.417 1.948 50 0 DDAALP O=C(C[N@H+]1CC[C@@H](c2ccccc2)C1)NCCCc1[nH]cc[nH+]1 ZINC000219903353 257274244 /nfs/dbraw/zinc/27/42/44/257274244.db2.gz TXRXFYOTCYKNNT-MRXNPFEDSA-N 2 2 312.417 1.948 50 0 DDAALP CSCCC[NH+]1CCC(c2nnc(C[NH+](C)C)n2C)CC1 ZINC000077303531 406984116 /nfs/dbraw/zinc/98/41/16/406984116.db2.gz NDYTWRGBRJCAPH-UHFFFAOYSA-N 2 2 311.499 1.809 50 0 DDAALP COc1ccc(C[N@H+](CCO)C2CC[NH+](C)CC2)cc1OC ZINC000089375230 407132205 /nfs/dbraw/zinc/13/22/05/407132205.db2.gz UBDZLMXUDZDIMT-UHFFFAOYSA-N 2 2 308.422 1.592 50 0 DDAALP COc1ccc(C[N@@H+](CCO)C2CC[NH+](C)CC2)cc1OC ZINC000089375230 407132208 /nfs/dbraw/zinc/13/22/08/407132208.db2.gz UBDZLMXUDZDIMT-UHFFFAOYSA-N 2 2 308.422 1.592 50 0 DDAALP Cn1ncc2c1nc[nH+]c2N1CCC(C[NH+]2CCCC2)CC1 ZINC000052357580 407150576 /nfs/dbraw/zinc/15/05/76/407150576.db2.gz PEDGNHUYODCUDG-UHFFFAOYSA-N 2 2 300.410 1.676 50 0 DDAALP C[C@@H]1C[N@@H+](C[C@@H]2CN(c3cc[nH+]cc3F)C[C@@H]2CO)C[C@H](C)O1 ZINC000091254731 407182306 /nfs/dbraw/zinc/18/23/06/407182306.db2.gz BFDDGUWKHCSBHP-LXTVHRRPSA-N 2 2 323.412 1.375 50 0 DDAALP C[C@@H]1C[N@H+](C[C@@H]2CN(c3cc[nH+]cc3F)C[C@@H]2CO)C[C@H](C)O1 ZINC000091254731 407182308 /nfs/dbraw/zinc/18/23/08/407182308.db2.gz BFDDGUWKHCSBHP-LXTVHRRPSA-N 2 2 323.412 1.375 50 0 DDAALP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1)C1CC1 ZINC000055720114 407206113 /nfs/dbraw/zinc/20/61/13/407206113.db2.gz CZCOXXXJJMZJIT-CVEARBPZSA-N 2 2 316.449 1.754 50 0 DDAALP C[N@@H+]1CCCNC(=O)C12CC[NH+](Cc1cccc(O)c1)CC2 ZINC000067587078 407276658 /nfs/dbraw/zinc/27/66/58/407276658.db2.gz VUUROTGHXXABEK-UHFFFAOYSA-N 2 2 303.406 1.179 50 0 DDAALP C[N@H+]1CCCNC(=O)C12CC[NH+](Cc1cccc(O)c1)CC2 ZINC000067587078 407276661 /nfs/dbraw/zinc/27/66/61/407276661.db2.gz VUUROTGHXXABEK-UHFFFAOYSA-N 2 2 303.406 1.179 50 0 DDAALP C[NH+](C)Cc1nc(C(=O)N2CCC[C@]3(CC[N@H+](C)C3)C2)cs1 ZINC000067692616 407280736 /nfs/dbraw/zinc/28/07/36/407280736.db2.gz QPZBUXFOKHNHNH-MRXNPFEDSA-N 2 2 322.478 1.763 50 0 DDAALP C[NH+](C)Cc1nc(C(=O)N2CCC[C@]3(CC[N@@H+](C)C3)C2)cs1 ZINC000067692616 407280738 /nfs/dbraw/zinc/28/07/38/407280738.db2.gz QPZBUXFOKHNHNH-MRXNPFEDSA-N 2 2 322.478 1.763 50 0 DDAALP Cc1ccc(C[NH+]2CCN3CC[N@@H+](C)C[C@@H]3C2)c2cccnc12 ZINC000097515191 407298949 /nfs/dbraw/zinc/29/89/49/407298949.db2.gz KPUNIHWEIPCZSB-QGZVFWFLSA-N 2 2 310.445 1.975 50 0 DDAALP Cc1ccc(C[NH+]2CCN3CC[N@H+](C)C[C@@H]3C2)c2cccnc12 ZINC000097515191 407298950 /nfs/dbraw/zinc/29/89/50/407298950.db2.gz KPUNIHWEIPCZSB-QGZVFWFLSA-N 2 2 310.445 1.975 50 0 DDAALP Cc1ccc(C[N@H+]2CCN3CC[NH+](C)C[C@@H]3C2)c2cccnc12 ZINC000097515191 407298952 /nfs/dbraw/zinc/29/89/52/407298952.db2.gz KPUNIHWEIPCZSB-QGZVFWFLSA-N 2 2 310.445 1.975 50 0 DDAALP Cc1ccc(C[N@@H+]2CCN3CC[NH+](C)C[C@@H]3C2)c2cccnc12 ZINC000097515191 407298953 /nfs/dbraw/zinc/29/89/53/407298953.db2.gz KPUNIHWEIPCZSB-QGZVFWFLSA-N 2 2 310.445 1.975 50 0 DDAALP C[C@H]([NH3+])C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000168598606 162180942 /nfs/dbraw/zinc/18/09/42/162180942.db2.gz YNEBDVSQJJKCHW-GWCFXTLKSA-N 2 2 313.804 1.907 50 0 DDAALP C[C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C[C@H]1n1cc[nH+]c1 ZINC000279838388 409250064 /nfs/dbraw/zinc/25/00/64/409250064.db2.gz JJXGNSOSXPSQBK-DZGCQCFKSA-N 2 2 301.394 1.659 50 0 DDAALP CCCCc1[nH]c(C[N@@H+]2CC[C@H]3OCc4cnnn4[C@H]3C2)c[nH+]1 ZINC000299783497 410623955 /nfs/dbraw/zinc/62/39/55/410623955.db2.gz ZQEOGTMRTMEQNS-LSDHHAIUSA-N 2 2 316.409 1.690 50 0 DDAALP CCCCc1[nH]c(C[N@H+]2CC[C@H]3OCc4cnnn4[C@H]3C2)c[nH+]1 ZINC000299783497 410623961 /nfs/dbraw/zinc/62/39/61/410623961.db2.gz ZQEOGTMRTMEQNS-LSDHHAIUSA-N 2 2 316.409 1.690 50 0 DDAALP Cc1cc(C)c(CNC(=O)CC[C@H](C)[NH+]2CCN(C)CC2)c[nH+]1 ZINC000299788999 410628524 /nfs/dbraw/zinc/62/85/24/410628524.db2.gz ZIXFXNBMNPSIIB-INIZCTEOSA-N 2 2 318.465 1.731 50 0 DDAALP c1cn2ccc(CNc3nc(N[C@H]4CCCOC4)cc[nH+]3)cc2[nH+]1 ZINC000357436688 418651289 /nfs/dbraw/zinc/65/12/89/418651289.db2.gz JWEUWBPOLZLVSV-AWEZNQCLSA-N 2 2 324.388 2.327 50 0 DDAALP CCOC(=O)[C@@H](C)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000408521867 418808375 /nfs/dbraw/zinc/80/83/75/418808375.db2.gz VTVAIGCDRVUINT-OAHLLOKOSA-N 2 2 311.470 1.430 50 0 DDAALP CCOC(=O)[C@@H](C)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000408521867 418808378 /nfs/dbraw/zinc/80/83/78/418808378.db2.gz VTVAIGCDRVUINT-OAHLLOKOSA-N 2 2 311.470 1.430 50 0 DDAALP CCCC[NH+]1CCN(c2cc([C@@H]3CCOC3)[nH+]c(N)n2)CC1 ZINC000426550400 419504725 /nfs/dbraw/zinc/50/47/25/419504725.db2.gz JSAZMWPGEUZUDV-CYBMUJFWSA-N 2 2 305.426 1.485 50 0 DDAALP CC(C)c1nn(C)c(N(C)C)c1C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000065476346 278092103 /nfs/dbraw/zinc/09/21/03/278092103.db2.gz HBHIMMWZOANPSI-CQSZACIVSA-N 2 2 323.485 1.156 50 0 DDAALP CSCC[C@H]([NH3+])C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000157534134 525579455 /nfs/dbraw/zinc/57/94/55/525579455.db2.gz SDAPAERSMGVIKS-STQMWFEESA-N 2 2 310.467 1.282 50 0 DDAALP Cc1nc2ccccc2n1CC[NH2+][C@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC000888102159 709214149 /nfs/dbraw/zinc/21/41/49/709214149.db2.gz DVJLKISVFFDBAB-KDOFPFPSSA-N 2 2 315.465 1.569 50 0 DDAALP Cc1nc2ccccc2n1CC[NH2+][C@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC000888102159 709214151 /nfs/dbraw/zinc/21/41/51/709214151.db2.gz DVJLKISVFFDBAB-KDOFPFPSSA-N 2 2 315.465 1.569 50 0 DDAALP O=C(c1ccc(C[NH+]2CCCC2)o1)N1CCn2c[nH+]cc2C1 ZINC000072130701 191045576 /nfs/dbraw/zinc/04/55/76/191045576.db2.gz HQCZRXIGLOYCMI-UHFFFAOYSA-N 2 2 300.362 1.728 50 0 DDAALP c1cc2n(n1)C[C@@H](C[NH2+]Cc1ccccc1Cn1cc[nH+]c1)CN2 ZINC000069848296 353175095 /nfs/dbraw/zinc/17/50/95/353175095.db2.gz BOKJUGCVVZQWBH-HNNXBMFYSA-N 2 2 322.416 1.959 50 0 DDAALP C[N@@H+]1CCCNC(=O)C12CC[NH+](C1Cc3ccccc3C1)CC2 ZINC000584893460 354795624 /nfs/dbraw/zinc/79/56/24/354795624.db2.gz UFHZSSNPPBODMI-UHFFFAOYSA-N 2 2 313.445 1.440 50 0 DDAALP C[N@H+]1CCCNC(=O)C12CC[NH+](C1Cc3ccccc3C1)CC2 ZINC000584893460 354795627 /nfs/dbraw/zinc/79/56/27/354795627.db2.gz UFHZSSNPPBODMI-UHFFFAOYSA-N 2 2 313.445 1.440 50 0 DDAALP CN(Cc1[nH+]ccn1C)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000271698182 209134368 /nfs/dbraw/zinc/13/43/68/209134368.db2.gz LZVPAZZMZBDTHL-UHFFFAOYSA-N 2 2 315.421 1.823 50 0 DDAALP C[N@H+](CCOc1ccccc1)Cc1cn(C2CC[NH2+]CC2)nn1 ZINC000023153605 182352047 /nfs/dbraw/zinc/35/20/47/182352047.db2.gz QJFSDGOJWAORAS-UHFFFAOYSA-N 2 2 315.421 1.713 50 0 DDAALP C[N@@H+](CCOc1ccccc1)Cc1cn(C2CC[NH2+]CC2)nn1 ZINC000023153605 182352049 /nfs/dbraw/zinc/35/20/49/182352049.db2.gz QJFSDGOJWAORAS-UHFFFAOYSA-N 2 2 315.421 1.713 50 0 DDAALP O[C@H](COc1ccccc1)C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000065551640 184365159 /nfs/dbraw/zinc/36/51/59/184365159.db2.gz UCURSQSHZUJAPN-KRWDZBQOSA-N 2 2 304.434 1.987 50 0 DDAALP COC(=O)Cn1c2ccccc2n(CC[NH+]2CCCCC2)c1=[NH2+] ZINC000000274208 406635843 /nfs/dbraw/zinc/63/58/43/406635843.db2.gz QXJMWFJCGMBRPK-UHFFFAOYSA-N 2 2 316.405 1.581 50 0 DDAALP C(C[NH+]1CCOCC1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000071912119 406866859 /nfs/dbraw/zinc/86/68/59/406866859.db2.gz FQMISIGXRNHACQ-GOSISDBHSA-N 2 2 309.498 1.907 50 0 DDAALP Cc1[nH+]cc(C[N@@H+]2CC[C@]3(C2)CCCN(CC2CC2)C3=O)n1C ZINC000015062238 406878591 /nfs/dbraw/zinc/87/85/91/406878591.db2.gz KIJYZDXKTOAZDX-SFHVURJKSA-N 2 2 316.449 1.953 50 0 DDAALP Cc1[nH+]cc(C[N@H+]2CC[C@]3(C2)CCCN(CC2CC2)C3=O)n1C ZINC000015062238 406878592 /nfs/dbraw/zinc/87/85/92/406878592.db2.gz KIJYZDXKTOAZDX-SFHVURJKSA-N 2 2 316.449 1.953 50 0 DDAALP Cc1cc(N2CC[N@@H+](C)[C@@H](CCO)C2)nc(N2CCCCC2)[nH+]1 ZINC000032597921 406950023 /nfs/dbraw/zinc/95/00/23/406950023.db2.gz PEMYSMYEIJNGKN-HNNXBMFYSA-N 2 2 319.453 1.278 50 0 DDAALP Cc1cc(N2CC[N@H+](C)[C@@H](CCO)C2)nc(N2CCCCC2)[nH+]1 ZINC000032597921 406950027 /nfs/dbraw/zinc/95/00/27/406950027.db2.gz PEMYSMYEIJNGKN-HNNXBMFYSA-N 2 2 319.453 1.278 50 0 DDAALP O=c1c2c(ncn1CCCn1cc[nH+]c1)sc1c2CC[NH2+]C1 ZINC000077286374 406983606 /nfs/dbraw/zinc/98/36/06/406983606.db2.gz GWYQTGBGGPHZBJ-UHFFFAOYSA-N 2 2 315.402 1.391 50 0 DDAALP COc1ccc(-c2cc(C[NH2+]C[C@@]3(O)CC[NH2+]C3)no2)cc1 ZINC000077353754 406986539 /nfs/dbraw/zinc/98/65/39/406986539.db2.gz NVOMTTBHIPYNLX-MRXNPFEDSA-N 2 2 303.362 1.164 50 0 DDAALP C[C@@H](C(=O)NCC(F)(F)F)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000095972689 407219734 /nfs/dbraw/zinc/21/97/34/407219734.db2.gz WAUHAPFBSPARSF-UWVGGRQHSA-N 2 2 304.316 1.656 50 0 DDAALP C[C@@H](C(=O)NCC(F)(F)F)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000095972689 407219736 /nfs/dbraw/zinc/21/97/36/407219736.db2.gz WAUHAPFBSPARSF-UWVGGRQHSA-N 2 2 304.316 1.656 50 0 DDAALP C[C@H]1C[C@H](Nc2cnn(CC[NH+]3CCOCC3)c2)C[N@@H+]1C1CC1 ZINC000096493822 407272405 /nfs/dbraw/zinc/27/24/05/407272405.db2.gz CHTOXKQMRVXJJI-GJZGRUSLSA-N 2 2 319.453 1.252 50 0 DDAALP C[C@H]1C[C@H](Nc2cnn(CC[NH+]3CCOCC3)c2)C[N@H+]1C1CC1 ZINC000096493822 407272408 /nfs/dbraw/zinc/27/24/08/407272408.db2.gz CHTOXKQMRVXJJI-GJZGRUSLSA-N 2 2 319.453 1.252 50 0 DDAALP COc1ccc2cc(C[N@H+](C)CCn3cc[nH+]c3)c(=O)[nH]c2c1 ZINC000216538073 407498288 /nfs/dbraw/zinc/49/82/88/407498288.db2.gz GEUNGLPBKQRAHJ-UHFFFAOYSA-N 2 2 312.373 1.865 50 0 DDAALP COc1ccc2cc(C[N@@H+](C)CCn3cc[nH+]c3)c(=O)[nH]c2c1 ZINC000216538073 407498291 /nfs/dbraw/zinc/49/82/91/407498291.db2.gz GEUNGLPBKQRAHJ-UHFFFAOYSA-N 2 2 312.373 1.865 50 0 DDAALP CN(C)c1cc(CNC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc[nH+]1 ZINC000229176022 407659026 /nfs/dbraw/zinc/65/90/26/407659026.db2.gz SGGPHXCMLCHEKZ-GJZGRUSLSA-N 2 2 317.437 1.574 50 0 DDAALP CN(C)c1cc(CNC(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)cc[nH+]1 ZINC000229176022 407659030 /nfs/dbraw/zinc/65/90/30/407659030.db2.gz SGGPHXCMLCHEKZ-GJZGRUSLSA-N 2 2 317.437 1.574 50 0 DDAALP [NH3+][C@@H]1CCCN(C(=O)c2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000158545771 408344631 /nfs/dbraw/zinc/34/46/31/408344631.db2.gz MHQFEWOSEHIYRD-MRXNPFEDSA-N 2 2 303.406 1.082 50 0 DDAALP Nc1nc(NCc2c[nH+]cn2C2CC2)cc([C@H]2CCOC2)[nH+]1 ZINC000299779326 410619994 /nfs/dbraw/zinc/61/99/94/410619994.db2.gz RKFXULZYLJIVIY-JTQLQIEISA-N 2 2 300.366 1.706 50 0 DDAALP CC[N@@H+](Cc1ccc2c(c1)OCO2)C[C@@H](O)C[NH+]1CCCC1 ZINC000048236454 418466803 /nfs/dbraw/zinc/46/68/03/418466803.db2.gz FZBYGNVLHRLMTP-OAHLLOKOSA-N 2 2 306.406 1.694 50 0 DDAALP CC[N@H+](Cc1ccc2c(c1)OCO2)C[C@@H](O)C[NH+]1CCCC1 ZINC000048236454 418466805 /nfs/dbraw/zinc/46/68/05/418466805.db2.gz FZBYGNVLHRLMTP-OAHLLOKOSA-N 2 2 306.406 1.694 50 0 DDAALP Cc1[nH+]ccn1[C@@H](C)CC(=O)N(C)CCCc1[nH+]ccn1C ZINC000426442833 419473090 /nfs/dbraw/zinc/47/30/90/419473090.db2.gz DTOOJBHYTXQBDW-ZDUSSCGKSA-N 2 2 303.410 1.967 50 0 DDAALP O=C(N[C@H]1COC[C@@H]1[NH+]1CCCCC1)C1(Cn2cc[nH+]c2)CC1 ZINC000426693725 419531267 /nfs/dbraw/zinc/53/12/67/419531267.db2.gz LFVIOIILUAWYCN-GJZGRUSLSA-N 2 2 318.421 1.033 50 0 DDAALP OC[C@@H](Cc1ccccc1)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655716232 424644719 /nfs/dbraw/zinc/64/47/19/424644719.db2.gz RCADOBQBSCAKGG-QZTJIDSGSA-N 2 2 304.434 1.433 50 0 DDAALP O=C(CC1=CSC2=[NH+]CCCN12)NCc1c[nH+]cn1C1CC1 ZINC000670466637 484846934 /nfs/dbraw/zinc/84/69/34/484846934.db2.gz QSZLXAHMMCOFLT-UHFFFAOYSA-N 2 2 317.418 1.874 50 0 DDAALP Cc1[nH+]ccn1CCN(C)c1nc(N2CCC[C@@H](O)C2)cc[nH+]1 ZINC000106247819 490594903 /nfs/dbraw/zinc/59/49/03/490594903.db2.gz CKAMPRHKXULREK-CQSZACIVSA-N 2 2 316.409 1.079 50 0 DDAALP Cc1cc(NC(=O)C[NH+]2CCCC2)ccc1NC(=O)C[NH+](C)C ZINC000823676159 758340533 /nfs/dbraw/zinc/34/05/33/758340533.db2.gz MCVAUDMAHMZRAB-UHFFFAOYSA-N 2 2 318.421 1.529 50 0 DDAALP COc1cccc(C(=O)N2CC[NH+](C[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000072145830 191053453 /nfs/dbraw/zinc/05/34/53/191053453.db2.gz RHFSZKYHPWWRJX-CQSZACIVSA-N 2 2 303.406 1.063 50 0 DDAALP COc1cc(C)c(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1OC ZINC000110670910 353961929 /nfs/dbraw/zinc/96/19/29/353961929.db2.gz SYBVRPFPGGRYMH-JKSUJKDBSA-N 2 2 320.433 1.965 50 0 DDAALP COc1cc(C)c(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1OC ZINC000110670910 353961931 /nfs/dbraw/zinc/96/19/31/353961931.db2.gz SYBVRPFPGGRYMH-JKSUJKDBSA-N 2 2 320.433 1.965 50 0 DDAALP c1nnnn1CCC[N@H+]1C[C@H]2CC[C@H](C[NH+]2CC2CCC2)C1 ZINC000091494514 193063707 /nfs/dbraw/zinc/06/37/07/193063707.db2.gz NMYWCTIBIONQDD-JKSUJKDBSA-N 2 2 304.442 1.260 50 0 DDAALP c1nnnn1CCC[N@@H+]1C[C@H]2CC[C@H](C[NH+]2CC2CCC2)C1 ZINC000091494514 193063709 /nfs/dbraw/zinc/06/37/09/193063709.db2.gz NMYWCTIBIONQDD-JKSUJKDBSA-N 2 2 304.442 1.260 50 0 DDAALP c1nnnn1CCC[NH+]1C[C@H]2CC[C@H](C[N@H+]2CC2CCC2)C1 ZINC000091494514 193063711 /nfs/dbraw/zinc/06/37/11/193063711.db2.gz NMYWCTIBIONQDD-JKSUJKDBSA-N 2 2 304.442 1.260 50 0 DDAALP c1nnnn1CCC[NH+]1C[C@H]2CC[C@H](C[N@@H+]2CC2CCC2)C1 ZINC000091494514 193063713 /nfs/dbraw/zinc/06/37/13/193063713.db2.gz NMYWCTIBIONQDD-JKSUJKDBSA-N 2 2 304.442 1.260 50 0 DDAALP CCCn1nc(C[NH2+]CCC[NH2+]CCO)c(-c2ccccc2)n1 ZINC000261491818 203071612 /nfs/dbraw/zinc/07/16/12/203071612.db2.gz LBJLZOYWLDUHQB-UHFFFAOYSA-N 2 2 317.437 1.417 50 0 DDAALP O=C(NCCn1cc[nH+]c1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000043311594 183354218 /nfs/dbraw/zinc/35/42/18/183354218.db2.gz GXYMGBDIOFHPSX-UHFFFAOYSA-N 2 2 319.434 1.472 50 0 DDAALP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cccnc1 ZINC000056500428 184013673 /nfs/dbraw/zinc/01/36/73/184013673.db2.gz PHBOSJPRGVLDSG-UHFFFAOYSA-N 2 2 305.426 1.571 50 0 DDAALP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cccnc1 ZINC000056500428 184013675 /nfs/dbraw/zinc/01/36/75/184013675.db2.gz PHBOSJPRGVLDSG-UHFFFAOYSA-N 2 2 305.426 1.571 50 0 DDAALP CC[C@H](Nc1nc(N)[nH+]c2c1CC[NH2+]CC2)c1nccs1 ZINC000072408482 257270787 /nfs/dbraw/zinc/27/07/87/257270787.db2.gz WZVBDHDNCBBZMX-JTQLQIEISA-N 2 2 304.423 1.767 50 0 DDAALP C[C@@H]1C[N@H+](C[C@H](O)c2ccccc2)CCN1Cc1[nH+]ccn1C ZINC000069598211 406743035 /nfs/dbraw/zinc/74/30/35/406743035.db2.gz IAVWJPCIVUYSCI-WBVHZDCISA-N 2 2 314.433 1.660 50 0 DDAALP C[C@@H]1C[N@@H+](C[C@H](O)c2ccccc2)CCN1Cc1[nH+]ccn1C ZINC000069598211 406743038 /nfs/dbraw/zinc/74/30/38/406743038.db2.gz IAVWJPCIVUYSCI-WBVHZDCISA-N 2 2 314.433 1.660 50 0 DDAALP CN(C)c1nc(N2CC[NH+](CCc3cccs3)CC2)cc[nH+]1 ZINC000071916181 406868233 /nfs/dbraw/zinc/86/82/33/406868233.db2.gz VPMBRRWHTOKPDR-UHFFFAOYSA-N 2 2 317.462 1.969 50 0 DDAALP O[C@@]1(C[NH2+]Cc2cc(C(F)(F)F)ccc2F)C[NH2+]CCOC1 ZINC000077469726 406992067 /nfs/dbraw/zinc/99/20/67/406992067.db2.gz KMVYLRLWZJBUCJ-CYBMUJFWSA-N 2 2 322.302 1.285 50 0 DDAALP C[N@@H+]1CCCN(C(=O)NCCc2cn3ccccc3[nH+]2)CC1 ZINC000089375382 407132492 /nfs/dbraw/zinc/13/24/92/407132492.db2.gz NTNMVKKVYXETMH-UHFFFAOYSA-N 2 2 301.394 1.224 50 0 DDAALP C[N@H+]1CCCN(C(=O)NCCc2cn3ccccc3[nH+]2)CC1 ZINC000089375382 407132494 /nfs/dbraw/zinc/13/24/94/407132494.db2.gz NTNMVKKVYXETMH-UHFFFAOYSA-N 2 2 301.394 1.224 50 0 DDAALP C/C=C/C[N@H+]1CCC=C(C[NH+]2CCC(NC(=O)COC)CC2)C1 ZINC000067691048 407280056 /nfs/dbraw/zinc/28/00/56/407280056.db2.gz PUNQBLJJDUUJKA-ONEGZZNKSA-N 2 2 321.465 1.422 50 0 DDAALP C/C=C/C[N@@H+]1CCC=C(C[NH+]2CCC(NC(=O)COC)CC2)C1 ZINC000067691048 407280057 /nfs/dbraw/zinc/28/00/57/407280057.db2.gz PUNQBLJJDUUJKA-ONEGZZNKSA-N 2 2 321.465 1.422 50 0 DDAALP [NH3+][C@@H]1CCN(Cc2ccc(OCCCn3cc[nH+]c3)cc2)C1 ZINC000215463870 407484454 /nfs/dbraw/zinc/48/44/54/407484454.db2.gz SMJFTBDWFAHBRE-MRXNPFEDSA-N 2 2 300.406 1.885 50 0 DDAALP [NH3+][C@H]1CCCN(Cc2ccccc2OCC[NH+]2CCOCC2)C1 ZINC000216348371 407494749 /nfs/dbraw/zinc/49/47/49/407494749.db2.gz HUKFUDMQNWQRGW-KRWDZBQOSA-N 2 2 319.449 1.321 50 0 DDAALP CN(C)c1nc(N2CC[NH+](C[C@H]3CCC=CO3)CC2)cc[nH+]1 ZINC000170607075 407451041 /nfs/dbraw/zinc/45/10/41/407451041.db2.gz VDZURSDIICISOB-CQSZACIVSA-N 2 2 303.410 1.357 50 0 DDAALP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)CCO1 ZINC000222198399 407555100 /nfs/dbraw/zinc/55/51/00/407555100.db2.gz IVJSZPTVXFZNIP-CABCVRRESA-N 2 2 318.421 1.063 50 0 DDAALP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)CCO1 ZINC000222198399 407555105 /nfs/dbraw/zinc/55/51/05/407555105.db2.gz IVJSZPTVXFZNIP-CABCVRRESA-N 2 2 318.421 1.063 50 0 DDAALP Nc1nc(NCc2nc3ccccc3[nH]2)cc([C@H]2C[C@H]([NH3+])C2)[nH+]1 ZINC000244794623 407936915 /nfs/dbraw/zinc/93/69/15/407936915.db2.gz QQONPVGAUFEQPU-MGCOHNPYSA-N 2 2 309.377 1.752 50 0 DDAALP C[C@@H](c1cnccn1)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000184523216 408635509 /nfs/dbraw/zinc/63/55/09/408635509.db2.gz MWRYGCLYXGKSOA-HNNXBMFYSA-N 2 2 314.437 1.831 50 0 DDAALP C[C@@H](c1cnccn1)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000184523216 408635513 /nfs/dbraw/zinc/63/55/13/408635513.db2.gz MWRYGCLYXGKSOA-HNNXBMFYSA-N 2 2 314.437 1.831 50 0 DDAALP Cc1ccc(C(N)=O)c(NCCCOC2CC[NH+](C)CC2)[nH+]1 ZINC000534634913 334308913 /nfs/dbraw/zinc/30/89/13/334308913.db2.gz KPSUQUGSIFMFIL-UHFFFAOYSA-N 2 2 306.410 1.402 50 0 DDAALP CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC000534672985 334321162 /nfs/dbraw/zinc/32/11/62/334321162.db2.gz ULTUDFZANASAAQ-ZDUSSCGKSA-N 2 2 305.426 1.518 50 0 DDAALP CCC[N@H+]1CC[C@@H](CNC(=O)N2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC000534672985 334321164 /nfs/dbraw/zinc/32/11/64/334321164.db2.gz ULTUDFZANASAAQ-ZDUSSCGKSA-N 2 2 305.426 1.518 50 0 DDAALP CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC000534672985 334321165 /nfs/dbraw/zinc/32/11/65/334321165.db2.gz ULTUDFZANASAAQ-ZDUSSCGKSA-N 2 2 305.426 1.518 50 0 DDAALP CCC[N@H+]1CC[C@@H](CNC(=O)N2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC000534672985 334321167 /nfs/dbraw/zinc/32/11/67/334321167.db2.gz ULTUDFZANASAAQ-ZDUSSCGKSA-N 2 2 305.426 1.518 50 0 DDAALP CC[NH+]1CCN(C2CC[NH+](C[C@H]3CCC[N@H+](CC)C3)CC2)CC1 ZINC000020385098 696070202 /nfs/dbraw/zinc/07/02/02/696070202.db2.gz MAWFPRXYSPNXHU-SFHVURJKSA-N 3 2 322.541 1.820 50 0 DDAALP CC[NH+]1CCN(C2CC[NH+](C[C@H]3CCC[N@@H+](CC)C3)CC2)CC1 ZINC000020385098 696070204 /nfs/dbraw/zinc/07/02/04/696070204.db2.gz MAWFPRXYSPNXHU-SFHVURJKSA-N 3 2 322.541 1.820 50 0 DDAALP COCC[N@@H+]1CC[C@H](C[NH2+]Cc2coc3ccccc3c2=O)C1 ZINC000952981734 721531481 /nfs/dbraw/zinc/53/14/81/721531481.db2.gz OZMXIUJLUGVCKR-CQSZACIVSA-N 2 2 316.401 1.851 50 0 DDAALP COCC[N@H+]1CC[C@H](C[NH2+]Cc2coc3ccccc3c2=O)C1 ZINC000952981734 721531482 /nfs/dbraw/zinc/53/14/82/721531482.db2.gz OZMXIUJLUGVCKR-CQSZACIVSA-N 2 2 316.401 1.851 50 0 DDAALP Cc1nc(N2C[C@H]3OCC[N@H+](Cc4ccccc4)[C@H]3C2)cc[nH+]1 ZINC000097014731 185397215 /nfs/dbraw/zinc/39/72/15/185397215.db2.gz ACCRXBCQAKCXQA-DLBZAZTESA-N 2 2 310.401 1.875 50 0 DDAALP Cc1nc(N2C[C@H]3OCC[N@@H+](Cc4ccccc4)[C@H]3C2)cc[nH+]1 ZINC000097014731 185397216 /nfs/dbraw/zinc/39/72/16/185397216.db2.gz ACCRXBCQAKCXQA-DLBZAZTESA-N 2 2 310.401 1.875 50 0 DDAALP O=C(C[C@@H]1CC[NH2+]C1)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000130366982 354092854 /nfs/dbraw/zinc/09/28/54/354092854.db2.gz ULYHKRSKGNYYTQ-INIZCTEOSA-N 2 2 312.417 1.590 50 0 DDAALP C[C@@H]1C[C@H]([NH2+]Cc2c(C(=O)OC(C)(C)C)cnn2C)CC[N@@H+]1C ZINC000585140762 354814011 /nfs/dbraw/zinc/81/40/11/354814011.db2.gz JJPDEBISQMYMRD-CHWSQXEVSA-N 2 2 322.453 1.948 50 0 DDAALP C[C@@H]1C[C@H]([NH2+]Cc2c(C(=O)OC(C)(C)C)cnn2C)CC[N@H+]1C ZINC000585140762 354814014 /nfs/dbraw/zinc/81/40/14/354814014.db2.gz JJPDEBISQMYMRD-CHWSQXEVSA-N 2 2 322.453 1.948 50 0 DDAALP O=C1CC[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C2(CCC2)N1 ZINC000338794705 250138707 /nfs/dbraw/zinc/13/87/07/250138707.db2.gz QVXLWFPFDVGCFO-HNNXBMFYSA-N 2 2 314.433 1.841 50 0 DDAALP C[C@@H](Cn1cc[nH+]c1)NC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000047833217 183606150 /nfs/dbraw/zinc/60/61/50/183606150.db2.gz XEBDNKZENXAJGR-STQMWFEESA-N 2 2 321.450 1.935 50 0 DDAALP C[NH+]1CCN(CCNc2nc(C3CC3)[nH+]c3c2CCC3)CC1 ZINC000065288142 184322751 /nfs/dbraw/zinc/32/27/51/184322751.db2.gz UKIDIFUJAOGGKJ-UHFFFAOYSA-N 2 2 301.438 1.502 50 0 DDAALP C[C@H](CNC(=O)NCCc1cn2ccccc2[nH+]1)[NH+]1CCCC1 ZINC000065452501 184346510 /nfs/dbraw/zinc/34/65/10/184346510.db2.gz ONWJKAAOMNMOGY-CQSZACIVSA-N 2 2 315.421 1.660 50 0 DDAALP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)[C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000237433846 257238704 /nfs/dbraw/zinc/23/87/04/257238704.db2.gz SXVVNGRDEWXJPN-KBMXLJTQSA-N 2 2 302.422 1.414 50 0 DDAALP Nc1nc(NCC2(Cn3cc[nH+]c3)CC2)cc(C2CC([NH3+])C2)n1 ZINC000223184500 407565249 /nfs/dbraw/zinc/56/52/49/407565249.db2.gz OAIGUTDYNCAHBJ-UHFFFAOYSA-N 2 2 313.409 1.352 50 0 DDAALP CC[N@H+](C)CCNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000069561787 406734243 /nfs/dbraw/zinc/73/42/43/406734243.db2.gz HMADGJKBGABMNW-UHFFFAOYSA-N 2 2 319.384 1.762 50 0 DDAALP CC[N@@H+](C)CCNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000069561787 406734247 /nfs/dbraw/zinc/73/42/47/406734247.db2.gz HMADGJKBGABMNW-UHFFFAOYSA-N 2 2 319.384 1.762 50 0 DDAALP O=C(C[NH+]1CCCCCC1)N1CC[NH+](Cc2ccco2)CC1 ZINC000076409508 406967804 /nfs/dbraw/zinc/96/78/04/406967804.db2.gz UCFRNHTXAJNOQS-UHFFFAOYSA-N 2 2 305.422 1.800 50 0 DDAALP COc1ccc(C[NH+]2CCN(C(=O)Cn3cc[nH+]c3)CC2)cc1 ZINC000052357102 407149855 /nfs/dbraw/zinc/14/98/55/407149855.db2.gz WXFNTRWGQWAZFU-UHFFFAOYSA-N 2 2 314.389 1.236 50 0 DDAALP NC(=O)CC[N@@H+]1CCC[C@H](c2[nH+]ccn2Cc2cscn2)C1 ZINC000095383869 407211985 /nfs/dbraw/zinc/21/19/85/407211985.db2.gz ZEVHCEFZLDZCTL-LBPRGKRZSA-N 2 2 319.434 1.443 50 0 DDAALP NC(=O)CC[N@H+]1CCC[C@H](c2[nH+]ccn2Cc2cscn2)C1 ZINC000095383869 407211988 /nfs/dbraw/zinc/21/19/88/407211988.db2.gz ZEVHCEFZLDZCTL-LBPRGKRZSA-N 2 2 319.434 1.443 50 0 DDAALP CC(C)c1[nH+]ccn1CCCNC(=O)CC[NH+]1CCN(C)CC1 ZINC000219283278 407530305 /nfs/dbraw/zinc/53/03/05/407530305.db2.gz LMHFBIOEZYTAAD-UHFFFAOYSA-N 2 2 321.469 1.150 50 0 DDAALP CC(C)c1[nH+]ccn1CCCNC(=O)CCN1CC[NH+](C)CC1 ZINC000219283278 407530315 /nfs/dbraw/zinc/53/03/15/407530315.db2.gz LMHFBIOEZYTAAD-UHFFFAOYSA-N 2 2 321.469 1.150 50 0 DDAALP O=C(CCC[NH+]1CCCC1)N1CCC[C@@H](Cn2cc[nH+]c2)C1 ZINC000219619349 407532342 /nfs/dbraw/zinc/53/23/42/407532342.db2.gz LORIJJDKCOTPGP-INIZCTEOSA-N 2 2 304.438 1.998 50 0 DDAALP CCc1[nH+]ccn1CC[N@@H+]1CCCN(c2ncccn2)CC1 ZINC000244724637 407933704 /nfs/dbraw/zinc/93/37/04/407933704.db2.gz MXUYLEMLWFFIBU-UHFFFAOYSA-N 2 2 300.410 1.448 50 0 DDAALP CCc1[nH+]ccn1CC[N@H+]1CCCN(c2ncccn2)CC1 ZINC000244724637 407933712 /nfs/dbraw/zinc/93/37/12/407933712.db2.gz MXUYLEMLWFFIBU-UHFFFAOYSA-N 2 2 300.410 1.448 50 0 DDAALP Cc1c[nH]c([C@@H](C)NC(=O)c2cc(F)ccc2OCC[NH3+])[nH+]1 ZINC000426739607 419542315 /nfs/dbraw/zinc/54/23/15/419542315.db2.gz DLUNYDGCSLEXEA-SNVBAGLBSA-N 2 2 306.341 1.686 50 0 DDAALP OC[C@@H](Cc1ccccc1)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655716230 424644034 /nfs/dbraw/zinc/64/40/34/424644034.db2.gz RCADOBQBSCAKGG-MSOLQXFVSA-N 2 2 304.434 1.433 50 0 DDAALP Cc1c[nH+]ccc1NCCNC(=O)c1csc(C[NH+](C)C)n1 ZINC000670444706 484833353 /nfs/dbraw/zinc/83/33/53/484833353.db2.gz YDFZZWVXCRGAKF-UHFFFAOYSA-N 2 2 319.434 1.172 50 0 DDAALP Cc1ccccc1C[N@@H+]1CC[C@@H]([NH+]2CCC(O)CC2)[C@H](O)C1 ZINC000012303196 696049387 /nfs/dbraw/zinc/04/93/87/696049387.db2.gz BMHUYFJCVJAGLJ-QZTJIDSGSA-N 2 2 304.434 1.387 50 0 DDAALP Cc1ccccc1C[N@H+]1CC[C@@H]([NH+]2CCC(O)CC2)[C@H](O)C1 ZINC000012303196 696049389 /nfs/dbraw/zinc/04/93/89/696049389.db2.gz BMHUYFJCVJAGLJ-QZTJIDSGSA-N 2 2 304.434 1.387 50 0 DDAALP Nc1cc(N2CCC[N@@H+](C3Cc4ccccc4C3)CC2)nc[nH+]1 ZINC000096180750 696603763 /nfs/dbraw/zinc/60/37/63/696603763.db2.gz FWUZEHFGGQKPCA-UHFFFAOYSA-N 2 2 309.417 1.738 50 0 DDAALP Nc1cc(N2CCC[N@H+](C3Cc4ccccc4C3)CC2)nc[nH+]1 ZINC000096180750 696603765 /nfs/dbraw/zinc/60/37/65/696603765.db2.gz FWUZEHFGGQKPCA-UHFFFAOYSA-N 2 2 309.417 1.738 50 0 DDAALP CC1(C)NC(=O)CC[C@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000585080593 771926909 /nfs/dbraw/zinc/92/69/09/771926909.db2.gz DLDXNDABRSKFIG-CQSZACIVSA-N 2 2 302.422 1.697 50 0 DDAALP Cc1cc(NC(=O)CC[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)no1 ZINC000095428228 185362439 /nfs/dbraw/zinc/36/24/39/185362439.db2.gz CVABAOLUEQVDCC-CQSZACIVSA-N 2 2 316.361 1.860 50 0 DDAALP Cc1cc(NC(=O)CC[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)no1 ZINC000095428228 185362440 /nfs/dbraw/zinc/36/24/40/185362440.db2.gz CVABAOLUEQVDCC-CQSZACIVSA-N 2 2 316.361 1.860 50 0 DDAALP COc1ccc([C@H]2CCC[N@@H+]2C[C@H]2C[NH2+]CCO2)c(OC)c1 ZINC000685940162 539564518 /nfs/dbraw/zinc/56/45/18/539564518.db2.gz ITKFZOJQHYKQCP-GDBMZVCRSA-N 2 2 306.406 1.829 50 0 DDAALP COc1ccc([C@H]2CCC[N@H+]2C[C@H]2C[NH2+]CCO2)c(OC)c1 ZINC000685940162 539564524 /nfs/dbraw/zinc/56/45/24/539564524.db2.gz ITKFZOJQHYKQCP-GDBMZVCRSA-N 2 2 306.406 1.829 50 0 DDAALP COc1ccc([C@H]2CCC[N@@H+]2C[C@@H]2C[NH2+]CCO2)c(OC)c1 ZINC000685940163 539564846 /nfs/dbraw/zinc/56/48/46/539564846.db2.gz ITKFZOJQHYKQCP-GOEBONIOSA-N 2 2 306.406 1.829 50 0 DDAALP COc1ccc([C@H]2CCC[N@H+]2C[C@@H]2C[NH2+]CCO2)c(OC)c1 ZINC000685940163 539564849 /nfs/dbraw/zinc/56/48/49/539564849.db2.gz ITKFZOJQHYKQCP-GOEBONIOSA-N 2 2 306.406 1.829 50 0 DDAALP CCN(CC[NH+](C)C)C(=O)NCc1ccc2c(c1)[nH+]c(C)n2C ZINC000584897780 354798032 /nfs/dbraw/zinc/79/80/32/354798032.db2.gz JTLZPRSOCBQTDQ-UHFFFAOYSA-N 2 2 317.437 1.975 50 0 DDAALP Cc1nn(C[C@H](C)[NH2+][C@H](C)[C@@H](c2ccccc2)[NH+](C)C)c(=O)o1 ZINC000585141264 354814810 /nfs/dbraw/zinc/81/48/10/354814810.db2.gz SHEJGUPHQQLMJK-ZENOOKHLSA-N 2 2 318.421 1.814 50 0 DDAALP COCCn1c[nH+]cc1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000584894676 354796424 /nfs/dbraw/zinc/79/64/24/354796424.db2.gz OLKAFXPPNCHICS-CQSZACIVSA-N 2 2 308.426 1.410 50 0 DDAALP C[NH+](C)CCn1c2ccccc2n(C[C@@H](O)c2ccco2)c1=[NH2+] ZINC000005129022 181207037 /nfs/dbraw/zinc/20/70/37/181207037.db2.gz DFUYIMOYSIFXIY-OAHLLOKOSA-N 2 2 314.389 1.810 50 0 DDAALP C[C@H](CNC(=O)NCCCn1cc[nH+]c1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000106083605 194185781 /nfs/dbraw/zinc/18/57/81/194185781.db2.gz FIOZHKOEAHRIJO-RBSFLKMASA-N 2 2 323.441 1.070 50 0 DDAALP COc1ccc(CCN2C[C@@H]([NH2+]Cc3c[nH+]c[nH]3)CC2=O)cc1 ZINC000012302336 406841294 /nfs/dbraw/zinc/84/12/94/406841294.db2.gz VGLZEIWLKTUDDT-AWEZNQCLSA-N 2 2 314.389 1.352 50 0 DDAALP [NH3+][C@H](Cc1ccccc1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000034467228 406964049 /nfs/dbraw/zinc/96/40/49/406964049.db2.gz VJMVTCXTMYDGPK-LJQANCHMSA-N 2 2 323.440 1.901 50 0 DDAALP CC(C)C(=O)N1CCC([NH2+]CC[N@@H+]2CCCC[C@@H]2CO)CC1 ZINC000065458949 407243546 /nfs/dbraw/zinc/24/35/46/407243546.db2.gz OFCBBSGJCFQCAO-MRXNPFEDSA-N 2 2 311.470 1.070 50 0 DDAALP CC(C)C(=O)N1CCC([NH2+]CC[N@H+]2CCCC[C@@H]2CO)CC1 ZINC000065458949 407243549 /nfs/dbraw/zinc/24/35/49/407243549.db2.gz OFCBBSGJCFQCAO-MRXNPFEDSA-N 2 2 311.470 1.070 50 0 DDAALP Cc1ncc(CO)c(C[N@@H+]2CCC[C@H](Cn3cc[nH+]c3)C2)c1O ZINC000067841304 407286282 /nfs/dbraw/zinc/28/62/82/407286282.db2.gz OKNFGPIOZRQNDF-AWEZNQCLSA-N 2 2 316.405 1.697 50 0 DDAALP Cc1ncc(CO)c(C[N@H+]2CCC[C@H](Cn3cc[nH+]c3)C2)c1O ZINC000067841304 407286284 /nfs/dbraw/zinc/28/62/84/407286284.db2.gz OKNFGPIOZRQNDF-AWEZNQCLSA-N 2 2 316.405 1.697 50 0 DDAALP COc1cc2c(cc1C[N@@H+]1CCC[C@@]3(CC[NH2+]C3)C1)OCO2 ZINC000067850964 407287179 /nfs/dbraw/zinc/28/71/79/407287179.db2.gz SSCNTSKPLREFRU-KRWDZBQOSA-N 2 2 304.390 1.999 50 0 DDAALP COc1cc2c(cc1C[N@H+]1CCC[C@@]3(CC[NH2+]C3)C1)OCO2 ZINC000067850964 407287180 /nfs/dbraw/zinc/28/71/80/407287180.db2.gz SSCNTSKPLREFRU-KRWDZBQOSA-N 2 2 304.390 1.999 50 0 DDAALP Cc1c(Cl)cccc1CNC(=O)C[N@@H+](C)C1CC[NH2+]CC1 ZINC000216318691 407494003 /nfs/dbraw/zinc/49/40/03/407494003.db2.gz YLDPGWFOYZNXPN-UHFFFAOYSA-N 2 2 309.841 1.948 50 0 DDAALP Cc1c(Cl)cccc1CNC(=O)C[N@H+](C)C1CC[NH2+]CC1 ZINC000216318691 407494011 /nfs/dbraw/zinc/49/40/11/407494011.db2.gz YLDPGWFOYZNXPN-UHFFFAOYSA-N 2 2 309.841 1.948 50 0 DDAALP COc1ccc(CN(C)c2cc(C3CC([NH3+])C3)[nH+]c(N)n2)cc1 ZINC000218996245 407525431 /nfs/dbraw/zinc/52/54/31/407525431.db2.gz GVFJFBHWGPFIJC-UHFFFAOYSA-N 2 2 313.405 1.909 50 0 DDAALP C[C@@H](C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1)CS(C)(=O)=O ZINC000230190001 407682744 /nfs/dbraw/zinc/68/27/44/407682744.db2.gz PZXHLCQQIUCWRW-KBPBESRZSA-N 2 2 313.467 1.355 50 0 DDAALP C[C@@H](C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1)CS(C)(=O)=O ZINC000230190001 407682751 /nfs/dbraw/zinc/68/27/51/407682751.db2.gz PZXHLCQQIUCWRW-KBPBESRZSA-N 2 2 313.467 1.355 50 0 DDAALP COc1ccc(C[N@H+](C)Cc2nnc([C@H]3C[C@H]([NH3+])C3)n2C)cc1 ZINC000244811439 407937440 /nfs/dbraw/zinc/93/74/40/407937440.db2.gz SCRGGGMTQUNEMY-HDJSIYSDSA-N 2 2 315.421 1.660 50 0 DDAALP COc1ccc(C[N@@H+](C)Cc2nnc([C@H]3C[C@H]([NH3+])C3)n2C)cc1 ZINC000244811439 407937443 /nfs/dbraw/zinc/93/74/43/407937443.db2.gz SCRGGGMTQUNEMY-HDJSIYSDSA-N 2 2 315.421 1.660 50 0 DDAALP C[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000168598409 162181169 /nfs/dbraw/zinc/18/11/69/162181169.db2.gz YNEBDVSQJJKCHW-GXFFZTMASA-N 2 2 313.804 1.907 50 0 DDAALP COc1cccc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)n1 ZINC000191124111 408373621 /nfs/dbraw/zinc/37/36/21/408373621.db2.gz XUZLRYNAQUPPDV-AWEZNQCLSA-N 2 2 305.422 1.681 50 0 DDAALP Cc1cc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)nc(N(C)C)n1 ZINC000170089681 408820232 /nfs/dbraw/zinc/82/02/32/408820232.db2.gz APTXMTVZNFYDLN-INIZCTEOSA-N 2 2 313.405 1.899 50 0 DDAALP Cc1cc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)nc(N(C)C)n1 ZINC000170089681 408820233 /nfs/dbraw/zinc/82/02/33/408820233.db2.gz APTXMTVZNFYDLN-INIZCTEOSA-N 2 2 313.405 1.899 50 0 DDAALP CC[NH+](CC)CC[C@@H](CO)[NH2+]Cc1cn(C)nc1C(C)(C)C ZINC000585118340 422307209 /nfs/dbraw/zinc/30/72/09/422307209.db2.gz LCHGENIKNTUVBZ-HNNXBMFYSA-N 2 2 310.486 1.900 50 0 DDAALP COc1ccc(C(=O)N[C@@H]2C[N@H+](C)C[C@H]2C[NH+](C)C)c(C)c1 ZINC000169790629 697346639 /nfs/dbraw/zinc/34/66/39/697346639.db2.gz PNMNJICOLTZLQU-CZUORRHYSA-N 2 2 305.422 1.225 50 0 DDAALP COc1ccc(C(=O)N[C@@H]2C[N@@H+](C)C[C@H]2C[NH+](C)C)c(C)c1 ZINC000169790629 697346641 /nfs/dbraw/zinc/34/66/41/697346641.db2.gz PNMNJICOLTZLQU-CZUORRHYSA-N 2 2 305.422 1.225 50 0 DDAALP C[NH+]1CCN(CC2(CNC(=O)[C@@H]3CCCCC[N@@H+]3C)CC2)CC1 ZINC000952979638 721531334 /nfs/dbraw/zinc/53/13/34/721531334.db2.gz QTHYHFMTCHSBJC-INIZCTEOSA-N 2 2 322.497 1.005 50 0 DDAALP C[NH+]1CCN(CC2(CNC(=O)[C@@H]3CCCCC[N@H+]3C)CC2)CC1 ZINC000952979638 721531337 /nfs/dbraw/zinc/53/13/37/721531337.db2.gz QTHYHFMTCHSBJC-INIZCTEOSA-N 2 2 322.497 1.005 50 0 DDAALP CC(C)c1[nH+]ccn1CCC[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000952990199 721533089 /nfs/dbraw/zinc/53/30/89/721533089.db2.gz WMCWUUJLQOOEKP-MRXNPFEDSA-N 3 2 307.486 1.622 50 0 DDAALP C[C@@H](NC(=O)C[N@H+](C)C1CC[NH2+]CC1)c1cc(F)cc(F)c1 ZINC000215722228 545650596 /nfs/dbraw/zinc/65/05/96/545650596.db2.gz YUIBSPAXAZIAIC-LLVKDONJSA-N 2 2 311.376 1.826 50 0 DDAALP C[C@@H](NC(=O)C[N@@H+](C)C1CC[NH2+]CC1)c1cc(F)cc(F)c1 ZINC000215722228 545650606 /nfs/dbraw/zinc/65/06/06/545650606.db2.gz YUIBSPAXAZIAIC-LLVKDONJSA-N 2 2 311.376 1.826 50 0 DDAALP c1cn(C[C@@H]2CCC[N@H+](Cc3cc4n(n3)CC[NH2+]C4)C2)c[nH+]1 ZINC000072172527 191069804 /nfs/dbraw/zinc/06/98/04/191069804.db2.gz GWAMRIZJUQBSGE-CQSZACIVSA-N 2 2 300.410 1.095 50 0 DDAALP c1cn(C[C@@H]2CCC[N@@H+](Cc3cc4n(n3)CC[NH2+]C4)C2)c[nH+]1 ZINC000072172527 191069806 /nfs/dbraw/zinc/06/98/06/191069806.db2.gz GWAMRIZJUQBSGE-CQSZACIVSA-N 2 2 300.410 1.095 50 0 DDAALP c1cn(C[C@@H]2CCC[N@@H+](Cc3cc4n(n3)CC[NH2+]C4)C2)cn1 ZINC000072172527 191069811 /nfs/dbraw/zinc/06/98/11/191069811.db2.gz GWAMRIZJUQBSGE-CQSZACIVSA-N 2 2 300.410 1.095 50 0 DDAALP CC1(C)C[NH+]=C(N2CC[NH+](CCN3CCCC3=O)CC2)S1 ZINC000078969362 353543718 /nfs/dbraw/zinc/54/37/18/353543718.db2.gz YSVQZMKOKOCKOI-UHFFFAOYSA-N 2 2 310.467 1.108 50 0 DDAALP COc1ccc2[nH]c(CC[NH2+][C@@H](C)CN3CCOCC3)[nH+]c2c1 ZINC000584893502 354795171 /nfs/dbraw/zinc/79/51/71/354795171.db2.gz AJGRLNYKWFFFPY-ZDUSSCGKSA-N 2 2 318.421 1.424 50 0 DDAALP Cc1cccc2[nH+]c(CNC(=O)c3csc(CC[NH3+])n3)cn21 ZINC000194835434 201297608 /nfs/dbraw/zinc/29/76/08/201297608.db2.gz ULXSXZWLWUNKST-UHFFFAOYSA-N 2 2 315.402 1.530 50 0 DDAALP CCC[C@@](C)([NH3+])C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000262534685 203322027 /nfs/dbraw/zinc/32/20/27/203322027.db2.gz JLQJMRBWUHDJKL-MRXNPFEDSA-N 2 2 306.410 1.683 50 0 DDAALP CNC(=O)COc1ccccc1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1 ZINC000067500381 184470062 /nfs/dbraw/zinc/47/00/62/184470062.db2.gz XODCCDQYVKHOFP-CQSZACIVSA-N 2 2 316.405 1.434 50 0 DDAALP O=C(c1ccc(-n2cc[nH+]c2)nc1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000070020862 406803650 /nfs/dbraw/zinc/80/36/50/406803650.db2.gz KPZQHJHEVBBNNL-HNNXBMFYSA-N 2 2 322.372 1.941 50 0 DDAALP CCn1cc[nH+]c1N1CC[NH+](CC(=O)NC2CCCCC2)CC1 ZINC000011695745 406829364 /nfs/dbraw/zinc/82/93/64/406829364.db2.gz WKRHTCAARYPGSG-UHFFFAOYSA-N 2 2 319.453 1.474 50 0 DDAALP Cc1cc(N2CCN(c3[nH+]cnc4c3cnn4C)CC2)nc(C)[nH+]1 ZINC000044714868 407029181 /nfs/dbraw/zinc/02/91/81/407029181.db2.gz FHIVSACPBPMVDM-UHFFFAOYSA-N 2 2 324.392 1.097 50 0 DDAALP COc1ccc(CN2CC[NH+](CCn3cc[nH+]c3)CC2)cc1F ZINC000089457637 407134394 /nfs/dbraw/zinc/13/43/94/407134394.db2.gz MPZJADNQDFDZFE-UHFFFAOYSA-N 2 2 318.396 1.849 50 0 DDAALP Nc1cc(N2CC[NH+](CCCc3ccccc3)CC2)nc(N)[nH+]1 ZINC000065370581 407243627 /nfs/dbraw/zinc/24/36/27/407243627.db2.gz SRTCCOOPZPRSEO-UHFFFAOYSA-N 2 2 312.421 1.396 50 0 DDAALP Cc1cc(N2CC[NH+](CCn3cc(Cl)cn3)CC2)nc(N)[nH+]1 ZINC000240163617 407906378 /nfs/dbraw/zinc/90/63/78/407906378.db2.gz JCNPTGOQEJUZQJ-UHFFFAOYSA-N 2 2 321.816 1.039 50 0 DDAALP CCc1[nH+]ccn1CC(=O)NC[C@H]1Cc2ccccc2C[N@@H+]1C ZINC000244633580 407928048 /nfs/dbraw/zinc/92/80/48/407928048.db2.gz GFJYZLKZPQYEQF-MRXNPFEDSA-N 2 2 312.417 1.618 50 0 DDAALP CCc1[nH+]ccn1CC(=O)NC[C@H]1Cc2ccccc2C[N@H+]1C ZINC000244633580 407928052 /nfs/dbraw/zinc/92/80/52/407928052.db2.gz GFJYZLKZPQYEQF-MRXNPFEDSA-N 2 2 312.417 1.618 50 0 DDAALP COc1cccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)n1 ZINC000191358247 408412426 /nfs/dbraw/zinc/41/24/26/408412426.db2.gz VOWNPFPYOCDORU-IAGOWNOFSA-N 2 2 319.449 1.948 50 0 DDAALP Cc1csc([C@@H](C)CNC(=O)C[N@H+](C)C2CC[NH2+]CC2)n1 ZINC000299765418 410610529 /nfs/dbraw/zinc/61/05/29/410610529.db2.gz AQNHMGOFORBXLE-NSHDSACASA-N 2 2 310.467 1.355 50 0 DDAALP Cc1csc([C@@H](C)CNC(=O)C[N@@H+](C)C2CC[NH2+]CC2)n1 ZINC000299765418 410610532 /nfs/dbraw/zinc/61/05/32/410610532.db2.gz AQNHMGOFORBXLE-NSHDSACASA-N 2 2 310.467 1.355 50 0 DDAALP O=C(N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)[C@H]1CC[NH2+]C1 ZINC000262672938 222288815 /nfs/dbraw/zinc/28/88/15/222288815.db2.gz PKRXELZFKZXYHU-QWHCGFSZSA-N 2 2 323.387 1.655 50 0 DDAALP O=C(N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)[C@H]1CC[NH2+]C1 ZINC000262672938 222288818 /nfs/dbraw/zinc/28/88/18/222288818.db2.gz PKRXELZFKZXYHU-QWHCGFSZSA-N 2 2 323.387 1.655 50 0 DDAALP O[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C1CCN(c2ccccc2Cl)CC1 ZINC000426445697 419472560 /nfs/dbraw/zinc/47/25/60/419472560.db2.gz XKEVSSKFGIBZKQ-GOEBONIOSA-N 2 2 309.841 1.621 50 0 DDAALP CC(C)Cn1cc[nH+]c1CNC(=O)N1CC[NH+]2CCC1CC2 ZINC000375137391 301901039 /nfs/dbraw/zinc/90/10/39/301901039.db2.gz ZQLPGBMUDVBMJC-UHFFFAOYSA-N 2 2 305.426 1.529 50 0 DDAALP Cn1cc[nH+]c1CC[N@@H+]1CCCN(C(=O)c2ccoc2)CC1 ZINC000670463128 484845971 /nfs/dbraw/zinc/84/59/71/484845971.db2.gz SFESTQNVRAIOFR-UHFFFAOYSA-N 2 2 302.378 1.404 50 0 DDAALP Cn1cc[nH+]c1CC[N@H+]1CCCN(C(=O)c2ccoc2)CC1 ZINC000670463128 484845975 /nfs/dbraw/zinc/84/59/75/484845975.db2.gz SFESTQNVRAIOFR-UHFFFAOYSA-N 2 2 302.378 1.404 50 0 DDAALP CCn1ncc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)n1 ZINC000585087127 539556599 /nfs/dbraw/zinc/55/65/99/539556599.db2.gz POSCPHVBCZLHGK-WMLDXEAASA-N 2 2 314.437 1.693 50 0 DDAALP CCn1ncc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)n1 ZINC000585087127 539556604 /nfs/dbraw/zinc/55/66/04/539556604.db2.gz POSCPHVBCZLHGK-WMLDXEAASA-N 2 2 314.437 1.693 50 0 DDAALP CCc1nnc(C[N@@H+]2CCC[C@H](c3[nH+]ccn3CCOC)C2)o1 ZINC000091595778 193078044 /nfs/dbraw/zinc/07/80/44/193078044.db2.gz MHPBXHRFXZBEES-ZDUSSCGKSA-N 2 2 319.409 1.855 50 0 DDAALP CCc1nnc(C[N@H+]2CCC[C@H](c3[nH+]ccn3CCOC)C2)o1 ZINC000091595778 193078046 /nfs/dbraw/zinc/07/80/46/193078046.db2.gz MHPBXHRFXZBEES-ZDUSSCGKSA-N 2 2 319.409 1.855 50 0 DDAALP Cc1cc(NCC2(N3CC[NH+](C)CC3)CCCCC2)nc(N)[nH+]1 ZINC000091986195 193137436 /nfs/dbraw/zinc/13/74/36/193137436.db2.gz WQIMOBBJNVDITA-UHFFFAOYSA-N 2 2 318.469 1.729 50 0 DDAALP C[N@@H+]1CCC[C@@](O)(CN2CC[NH+](Cc3cccc(F)c3)CC2)C1 ZINC000041124058 183169251 /nfs/dbraw/zinc/16/92/51/183169251.db2.gz FVYUNFXANZJKHN-SFHVURJKSA-N 2 2 321.440 1.400 50 0 DDAALP C[N@H+]1CCC[C@@](O)(CN2CC[NH+](Cc3cccc(F)c3)CC2)C1 ZINC000041124058 183169254 /nfs/dbraw/zinc/16/92/54/183169254.db2.gz FVYUNFXANZJKHN-SFHVURJKSA-N 2 2 321.440 1.400 50 0 DDAALP C[N@@H+]1CCC[C@@](O)(C[NH+]2CCN(Cc3cccc(F)c3)CC2)C1 ZINC000041124058 183169256 /nfs/dbraw/zinc/16/92/56/183169256.db2.gz FVYUNFXANZJKHN-SFHVURJKSA-N 2 2 321.440 1.400 50 0 DDAALP C[N@H+]1CCC[C@@](O)(C[NH+]2CCN(Cc3cccc(F)c3)CC2)C1 ZINC000041124058 183169258 /nfs/dbraw/zinc/16/92/58/183169258.db2.gz FVYUNFXANZJKHN-SFHVURJKSA-N 2 2 321.440 1.400 50 0 DDAALP O[C@H](C[NH+]1CCN(c2[nH+]cnc3[nH]ccc32)CC1)c1ccccc1 ZINC000069624528 406744705 /nfs/dbraw/zinc/74/47/05/406744705.db2.gz RWIDTFPUJOATLM-MRXNPFEDSA-N 2 2 323.400 1.814 50 0 DDAALP Cn1c(C[NH+](C)C)nnc1C1CCN(c2cc[nH+]cc2)CC1 ZINC000077470103 406991994 /nfs/dbraw/zinc/99/19/94/406991994.db2.gz RFAQQAPIRLUETJ-UHFFFAOYSA-N 2 2 300.410 1.656 50 0 DDAALP NC(=O)CC[N@@H+]1CCC[C@@H](c2[nH+]ccn2Cc2cscn2)C1 ZINC000095383868 407211557 /nfs/dbraw/zinc/21/15/57/407211557.db2.gz ZEVHCEFZLDZCTL-GFCCVEGCSA-N 2 2 319.434 1.443 50 0 DDAALP NC(=O)CC[N@H+]1CCC[C@@H](c2[nH+]ccn2Cc2cscn2)C1 ZINC000095383868 407211559 /nfs/dbraw/zinc/21/15/59/407211559.db2.gz ZEVHCEFZLDZCTL-GFCCVEGCSA-N 2 2 319.434 1.443 50 0 DDAALP CN(Cc1[nH+]ccn1C)C(=O)[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000095383037 407212773 /nfs/dbraw/zinc/21/27/73/407212773.db2.gz NIZLWZBUCCMUAS-OAHLLOKOSA-N 2 2 304.369 1.821 50 0 DDAALP C[C@@H](C[NH2+]C1CCN(c2nccs2)CC1)C[NH+]1CCOCC1 ZINC000096494471 407272571 /nfs/dbraw/zinc/27/25/71/407272571.db2.gz IAZQLHUYVZKNAZ-AWEZNQCLSA-N 2 2 324.494 1.670 50 0 DDAALP CC[NH+]1CCC(C(=O)N2CCC(c3[nH+]ccn3C)CC2)CC1 ZINC000097757969 407302095 /nfs/dbraw/zinc/30/20/95/407302095.db2.gz WPJOAIIVYAVRIZ-UHFFFAOYSA-N 2 2 304.438 1.858 50 0 DDAALP [NH3+][C@@H]1CCCN(Cc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC000216297178 407496593 /nfs/dbraw/zinc/49/65/93/407496593.db2.gz LTHURXLDRDYIRJ-QGZVFWFLSA-N 2 2 319.449 1.321 50 0 DDAALP CCc1cc(N2CC[C@@H](N3CC[NH+](CC)CC3)C2)nc(C)[nH+]1 ZINC000253425726 407445424 /nfs/dbraw/zinc/44/54/24/407445424.db2.gz CHOXNAJZSKWMTE-MRXNPFEDSA-N 2 2 303.454 1.564 50 0 DDAALP C[NH+](C)Cc1cc(C[N@@H+]2CCC[C@H](C3(C)OCCO3)C2)no1 ZINC000241515749 407910899 /nfs/dbraw/zinc/91/08/99/407910899.db2.gz OHRIWKOIUYJMIG-ZDUSSCGKSA-N 2 2 309.410 1.711 50 0 DDAALP C[NH+](C)Cc1cc(C[N@H+]2CCC[C@H](C3(C)OCCO3)C2)no1 ZINC000241515749 407910904 /nfs/dbraw/zinc/91/09/04/407910904.db2.gz OHRIWKOIUYJMIG-ZDUSSCGKSA-N 2 2 309.410 1.711 50 0 DDAALP COCCCNC(=O)[C@H](C)[NH+]1CCN(c2cc[nH+]cc2C)CC1 ZINC000192565498 408612123 /nfs/dbraw/zinc/61/21/23/408612123.db2.gz HSFXEOGKNSQCEA-HNNXBMFYSA-N 2 2 320.437 1.053 50 0 DDAALP C[N@@H+](CC(=O)NCc1ccccc1)C[C@H]1CC[NH+](C)C1(C)C ZINC000252507828 408802281 /nfs/dbraw/zinc/80/22/81/408802281.db2.gz WUMTYNWDWSWUBE-MRXNPFEDSA-N 2 2 303.450 1.965 50 0 DDAALP C[N@H+](CC(=O)NCc1ccccc1)C[C@H]1CC[NH+](C)C1(C)C ZINC000252507828 408802284 /nfs/dbraw/zinc/80/22/84/408802284.db2.gz WUMTYNWDWSWUBE-MRXNPFEDSA-N 2 2 303.450 1.965 50 0 DDAALP C[NH+](CC(=O)NCc1ccccc1)C[C@H]1CC[N@H+](C)C1(C)C ZINC000252507828 408802288 /nfs/dbraw/zinc/80/22/88/408802288.db2.gz WUMTYNWDWSWUBE-MRXNPFEDSA-N 2 2 303.450 1.965 50 0 DDAALP C[NH+](CC(=O)NCc1ccccc1)C[C@H]1CC[N@@H+](C)C1(C)C ZINC000252507828 408802292 /nfs/dbraw/zinc/80/22/92/408802292.db2.gz WUMTYNWDWSWUBE-MRXNPFEDSA-N 2 2 303.450 1.965 50 0 DDAALP C[C@H]1C[N@H+](C)CCN1C(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000252512588 408804103 /nfs/dbraw/zinc/80/41/03/408804103.db2.gz SPTCMLHJJXSZLU-GJZGRUSLSA-N 2 2 302.422 1.461 50 0 DDAALP C[C@H]1C[N@@H+](C)CCN1C(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000252512588 408804105 /nfs/dbraw/zinc/80/41/05/408804105.db2.gz SPTCMLHJJXSZLU-GJZGRUSLSA-N 2 2 302.422 1.461 50 0 DDAALP Cc1cc(C)c(CNC(=O)CC[C@@H](C)[NH+]2CCN(C)CC2)c[nH+]1 ZINC000299789002 410627316 /nfs/dbraw/zinc/62/73/16/410627316.db2.gz ZIXFXNBMNPSIIB-MRXNPFEDSA-N 2 2 318.465 1.731 50 0 DDAALP COc1ccc2[nH]c(CCN(C)C(=O)[C@H]3C=CC[NH2+]3)[nH+]c2c1 ZINC000299789153 410632747 /nfs/dbraw/zinc/63/27/47/410632747.db2.gz RYEXNZMDFUYELE-CYBMUJFWSA-N 2 2 300.362 1.100 50 0 DDAALP C[N@@H+]1CCC[C@@](O)(C[NH+]2CCN(c3ccccc3F)CC2)C1 ZINC000046087401 418445774 /nfs/dbraw/zinc/44/57/74/418445774.db2.gz VHECUSNXWCEEGB-KRWDZBQOSA-N 2 2 307.413 1.404 50 0 DDAALP C[N@H+]1CCC[C@@](O)(C[NH+]2CCN(c3ccccc3F)CC2)C1 ZINC000046087401 418445776 /nfs/dbraw/zinc/44/57/76/418445776.db2.gz VHECUSNXWCEEGB-KRWDZBQOSA-N 2 2 307.413 1.404 50 0 DDAALP Cc1[nH+]c2n(c1CCNc1[nH+]cnc3c1cnn3C)CCCC2 ZINC000049980007 418478736 /nfs/dbraw/zinc/47/87/36/418478736.db2.gz VSSZUXZFSYEJAN-UHFFFAOYSA-N 2 2 311.393 1.859 50 0 DDAALP Cc1ccc(OCC[NH3+])c(C(=O)NCCCc2[nH]cc[nH+]2)c1 ZINC000426472731 419476929 /nfs/dbraw/zinc/47/69/29/419476929.db2.gz KXTNMPSFEBSKRJ-UHFFFAOYSA-N 2 2 302.378 1.418 50 0 DDAALP CC[N@@H+]1CC[C@@H](CNC(=O)N(C)CCCc2[nH+]ccn2C)C1 ZINC000426486045 419488098 /nfs/dbraw/zinc/48/80/98/419488098.db2.gz VEUJACKMTYQHTI-AWEZNQCLSA-N 2 2 307.442 1.336 50 0 DDAALP CC[N@H+]1CC[C@@H](CNC(=O)N(C)CCCc2[nH+]ccn2C)C1 ZINC000426486045 419488104 /nfs/dbraw/zinc/48/81/04/419488104.db2.gz VEUJACKMTYQHTI-AWEZNQCLSA-N 2 2 307.442 1.336 50 0 DDAALP C[NH+](C)[C@H]1CCN(C(=O)c2ccc(-c3ccc(N)[nH+]c3)cc2)C1 ZINC000426369171 419450632 /nfs/dbraw/zinc/45/06/32/419450632.db2.gz KHMLQNRCEZWPND-INIZCTEOSA-N 2 2 310.401 2.107 50 0 DDAALP C[C@H](C(=O)NCc1[nH+]ccn1CCc1ccccc1)[NH+](C)C ZINC000585121451 422307238 /nfs/dbraw/zinc/30/72/38/422307238.db2.gz PSFUBNNVOIJQPL-CQSZACIVSA-N 2 2 300.406 1.692 50 0 DDAALP CC(C)c1[nH+]c2c(n1C)CCN(c1[nH+]cnc3c1cnn3C)C2 ZINC000069512841 276066612 /nfs/dbraw/zinc/06/66/12/276066612.db2.gz VHSLSFFRKQOBTH-UHFFFAOYSA-N 2 2 311.393 1.783 50 0 DDAALP C[NH+](C)[C@@H](C[NH2+]C[C@H]1CNc2ccnn2C1)Cc1ccccc1 ZINC000058356153 276826479 /nfs/dbraw/zinc/82/64/79/276826479.db2.gz UTTOJRAVZULPKR-DLBZAZTESA-N 2 2 313.449 1.687 50 0 DDAALP C[N@@H+]1CCNC(=O)C12CCN(c1[nH+]ccc3ccccc31)CC2 ZINC000067560650 277116010 /nfs/dbraw/zinc/11/60/10/277116010.db2.gz UHSCFPLEGYPPQN-UHFFFAOYSA-N 2 2 310.401 1.635 50 0 DDAALP C[N@H+]1CCNC(=O)C12CCN(c1[nH+]ccc3ccccc31)CC2 ZINC000067560650 277116012 /nfs/dbraw/zinc/11/60/12/277116012.db2.gz UHSCFPLEGYPPQN-UHFFFAOYSA-N 2 2 310.401 1.635 50 0 DDAALP CN(CCCc1[nH+]ccn1C)c1cc(C2CC([NH3+])C2)[nH+]c(N)n1 ZINC000222626191 484151986 /nfs/dbraw/zinc/15/19/86/484151986.db2.gz KFGJQERAKZSLFV-UHFFFAOYSA-N 3 2 315.425 1.066 50 0 DDAALP CCn1cc(CN(C)c2cc(C3CC([NH3+])C3)[nH+]c(N)n2)cn1 ZINC000223559812 484153900 /nfs/dbraw/zinc/15/39/00/484153900.db2.gz QVPDDQNRJYQCRW-UHFFFAOYSA-N 2 2 301.398 1.116 50 0 DDAALP C[C@@](O)(C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1)C(F)(F)F ZINC000253396516 186305157 /nfs/dbraw/zinc/30/51/57/186305157.db2.gz IIRHUJZVOHJTSX-QWHCGFSZSA-N 2 2 310.360 1.344 50 0 DDAALP C[C@@](O)(C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1)C(F)(F)F ZINC000253396516 186305159 /nfs/dbraw/zinc/30/51/59/186305159.db2.gz IIRHUJZVOHJTSX-QWHCGFSZSA-N 2 2 310.360 1.344 50 0 DDAALP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@@]2(O)CCC[NH2+]C2)cc1 ZINC000072430293 191162705 /nfs/dbraw/zinc/16/27/05/191162705.db2.gz MINKXJKCFOZICG-QGZVFWFLSA-N 3 2 300.406 1.385 50 0 DDAALP CC[C@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1[NH+]1CCOCC1 ZINC000084735802 353727631 /nfs/dbraw/zinc/72/76/31/353727631.db2.gz YTBSHNSTGAWMTP-JKSUJKDBSA-N 2 2 320.437 1.233 50 0 DDAALP COCC[N@H+]1[C@H](C)CN(C(=O)[C@@H]([NH3+])c2ccccc2)C[C@@H]1C ZINC000195554739 354297010 /nfs/dbraw/zinc/29/70/10/354297010.db2.gz KZOQRNIXCGSPLK-LZWOXQAQSA-N 2 2 305.422 1.254 50 0 DDAALP COCC[N@@H+]1[C@H](C)CN(C(=O)[C@@H]([NH3+])c2ccccc2)C[C@@H]1C ZINC000195554739 354297011 /nfs/dbraw/zinc/29/70/11/354297011.db2.gz KZOQRNIXCGSPLK-LZWOXQAQSA-N 2 2 305.422 1.254 50 0 DDAALP CCCCc1[nH]c(CN2C[C@H](O)[C@@H]([NH+]3CCCCC3)C2)c[nH+]1 ZINC000584888618 354791321 /nfs/dbraw/zinc/79/13/21/354791321.db2.gz DRUUQKAXUQVMSR-HOTGVXAUSA-N 2 2 306.454 1.783 50 0 DDAALP CCCCc1[nH]cc(CN2C[C@H](O)[C@@H]([NH+]3CCCCC3)C2)[nH+]1 ZINC000584888618 354791324 /nfs/dbraw/zinc/79/13/24/354791324.db2.gz DRUUQKAXUQVMSR-HOTGVXAUSA-N 2 2 306.454 1.783 50 0 DDAALP CCOc1c(Cl)cc(C[NH2+]CC[NH2+]CCO)cc1OC ZINC000022076005 182308429 /nfs/dbraw/zinc/30/84/29/182308429.db2.gz RVQQFCDKSWVAKM-UHFFFAOYSA-N 2 2 302.802 1.419 50 0 DDAALP C(c1nnc(C2CC2)o1)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000058196617 184086458 /nfs/dbraw/zinc/08/64/58/184086458.db2.gz PLPTZWSFIOJYCG-UHFFFAOYSA-N 2 2 306.410 1.491 50 0 DDAALP O[C@H](C[NH+]1CCC(C[NH2+]Cc2ccn[nH]2)CC1)c1ccccc1 ZINC000069490778 285349834 /nfs/dbraw/zinc/34/98/34/285349834.db2.gz KTOZFVQMWXGKRB-GOSISDBHSA-N 2 2 314.433 1.945 50 0 DDAALP O=C1OCC[C@H]1[NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000069518169 406729046 /nfs/dbraw/zinc/72/90/46/406729046.db2.gz MOZQQTBKMDBHNQ-IAGOWNOFSA-N 2 2 318.417 1.337 50 0 DDAALP C[N@@H+]1CCC[C@H](C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000072301605 406880969 /nfs/dbraw/zinc/88/09/69/406880969.db2.gz GLMZAGLSPYLCEB-KRWDZBQOSA-N 2 2 312.417 1.889 50 0 DDAALP C[N@H+]1CCC[C@H](C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000072301605 406880972 /nfs/dbraw/zinc/88/09/72/406880972.db2.gz GLMZAGLSPYLCEB-KRWDZBQOSA-N 2 2 312.417 1.889 50 0 DDAALP C[NH+](C)CCCn1cc[nH+]c1[C@H]1CCCN(C(=O)C(C)(C)[NH3+])C1 ZINC000095362967 407209188 /nfs/dbraw/zinc/20/91/88/407209188.db2.gz VIXUCYOCBWMNOJ-AWEZNQCLSA-N 3 2 321.469 1.278 50 0 DDAALP C[N@H+](CC(=O)NC[C@@H]1CCC[NH+](C)C1)Cc1ccccc1F ZINC000067948082 407291797 /nfs/dbraw/zinc/29/17/97/407291797.db2.gz BPSJDYGFGSUTPB-AWEZNQCLSA-N 2 2 307.413 1.716 50 0 DDAALP C[N@@H+](CC(=O)NC[C@@H]1CCC[NH+](C)C1)Cc1ccccc1F ZINC000067948082 407291799 /nfs/dbraw/zinc/29/17/99/407291799.db2.gz BPSJDYGFGSUTPB-AWEZNQCLSA-N 2 2 307.413 1.716 50 0 DDAALP C[NH+](CC(=O)NC[C@@H]1CCC[N@H+](C)C1)Cc1ccccc1F ZINC000067948082 407291801 /nfs/dbraw/zinc/29/18/01/407291801.db2.gz BPSJDYGFGSUTPB-AWEZNQCLSA-N 2 2 307.413 1.716 50 0 DDAALP C[NH+](CC(=O)NC[C@@H]1CCC[N@@H+](C)C1)Cc1ccccc1F ZINC000067948082 407291804 /nfs/dbraw/zinc/29/18/04/407291804.db2.gz BPSJDYGFGSUTPB-AWEZNQCLSA-N 2 2 307.413 1.716 50 0 DDAALP COCCn1ccnc1C[N@@H+]1CCC[C@@H](Cn2cc[nH+]c2)C1 ZINC000214993677 407479825 /nfs/dbraw/zinc/47/98/25/407479825.db2.gz OXMCCRWMFVUQBF-OAHLLOKOSA-N 2 2 303.410 1.638 50 0 DDAALP COCCn1ccnc1C[N@H+]1CCC[C@@H](Cn2cc[nH+]c2)C1 ZINC000214993677 407479828 /nfs/dbraw/zinc/47/98/28/407479828.db2.gz OXMCCRWMFVUQBF-OAHLLOKOSA-N 2 2 303.410 1.638 50 0 DDAALP Cc1nn(C)cc1C[NH+]1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000216225263 407494307 /nfs/dbraw/zinc/49/43/07/407494307.db2.gz ZNHKWMVFJPKIHN-UHFFFAOYSA-N 2 2 319.453 1.034 50 0 DDAALP Cc1cn2c([nH+]1)CC[C@H]([NH2+]C1CN(C(=O)OC(C)(C)C)C1)C2 ZINC000170603082 407447261 /nfs/dbraw/zinc/44/72/61/407447261.db2.gz XWOLXRHJFUBODL-LBPRGKRZSA-N 2 2 306.410 1.715 50 0 DDAALP C[C@H]([NH2+]CCNS(C)(=O)=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000170605240 407451988 /nfs/dbraw/zinc/45/19/88/407451988.db2.gz JQGMPCZDUBAPIV-LBPRGKRZSA-N 2 2 308.407 1.072 50 0 DDAALP [NH3+][C@@H]1CC[C@H](C(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000237961091 407858229 /nfs/dbraw/zinc/85/82/29/407858229.db2.gz FLUFHSVKQSHMHV-WMLDXEAASA-N 2 2 317.433 1.262 50 0 DDAALP O=C(CCCn1cc[nH+]c1)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000299761477 410611734 /nfs/dbraw/zinc/61/17/34/410611734.db2.gz RVDABVZSTQPZPI-INIZCTEOSA-N 2 2 320.437 1.423 50 0 DDAALP COCCn1c[nH+]cc1CNC(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000534593150 334294988 /nfs/dbraw/zinc/29/49/88/334294988.db2.gz QJBZRTSZMQIUTH-CQSZACIVSA-N 2 2 323.441 1.155 50 0 DDAALP Cc1ccc([C@H](C)NC(=O)C[N@H+]2[C@@H]3CC[C@H]2[C@H]2C[NH2+]C[C@H]23)cc1 ZINC000534655277 334313814 /nfs/dbraw/zinc/31/38/14/334313814.db2.gz UDRNJKDBALJMJV-XEIOYGOASA-N 2 2 313.445 1.854 50 0 DDAALP Cc1ccc([C@H](C)NC(=O)C[N@@H+]2[C@@H]3CC[C@H]2[C@H]2C[NH2+]C[C@H]23)cc1 ZINC000534655277 334313815 /nfs/dbraw/zinc/31/38/15/334313815.db2.gz UDRNJKDBALJMJV-XEIOYGOASA-N 2 2 313.445 1.854 50 0 DDAALP C[NH+](C)C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1NC(=O)NC(C)(C)C ZINC000169790810 697346583 /nfs/dbraw/zinc/34/65/83/697346583.db2.gz WEOVLSVPIRSLDV-ZIAGYGMSSA-N 2 2 319.453 1.546 50 0 DDAALP C[C@@H](C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)[NH+]1CCSCC1 ZINC000095435580 185364674 /nfs/dbraw/zinc/36/46/74/185364674.db2.gz PRSORINBONCPGT-KBPBESRZSA-N 2 2 320.462 1.214 50 0 DDAALP COc1ccc([C@@H]2CCC[N@@H+]2C[C@@H]2C[NH2+]CCO2)c(OC)c1 ZINC000685940164 539564431 /nfs/dbraw/zinc/56/44/31/539564431.db2.gz ITKFZOJQHYKQCP-HOCLYGCPSA-N 2 2 306.406 1.829 50 0 DDAALP COc1ccc([C@@H]2CCC[N@H+]2C[C@@H]2C[NH2+]CCO2)c(OC)c1 ZINC000685940164 539564438 /nfs/dbraw/zinc/56/44/38/539564438.db2.gz ITKFZOJQHYKQCP-HOCLYGCPSA-N 2 2 306.406 1.829 50 0 DDAALP Cc1nc(CC2CC[NH+](Cc3cc4n(n3)CC[NH2+]C4)CC2)no1 ZINC000072122217 191039941 /nfs/dbraw/zinc/03/99/41/191039941.db2.gz JCFPHBOFHVVEHD-UHFFFAOYSA-N 2 2 316.409 1.132 50 0 DDAALP C[NH2+]C[C@@H]1CCN(C(=O)/C=C/c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000178987693 198965319 /nfs/dbraw/zinc/96/53/19/198965319.db2.gz WRIIQPKWKKMDPD-RRGWEWPQSA-N 2 2 310.401 1.953 50 0 DDAALP OC[C@H]1C[N@H+](C/C=C/c2ccccc2)C[C@H]1C[NH+]1CCOCC1 ZINC000091381375 193048883 /nfs/dbraw/zinc/04/88/83/193048883.db2.gz RUBIFAJWYFHDSD-LVLPYEQSSA-N 2 2 316.445 1.572 50 0 DDAALP OC[C@H]1C[N@@H+](C/C=C/c2ccccc2)C[C@H]1C[NH+]1CCOCC1 ZINC000091381375 193048886 /nfs/dbraw/zinc/04/88/86/193048886.db2.gz RUBIFAJWYFHDSD-LVLPYEQSSA-N 2 2 316.445 1.572 50 0 DDAALP CCc1c[nH+]c(C)nc1N1C[C@H](CO)[C@H](C[NH+]2CCCC2)C1 ZINC000092037101 193144846 /nfs/dbraw/zinc/14/48/46/193144846.db2.gz ZJFFMLZKGOPJLX-HZPDHXFCSA-N 2 2 304.438 1.488 50 0 DDAALP Cc1cccn2cc(CC(=O)N3CCC[N@@H+]4CCC[C@@H]4C3)[nH+]c12 ZINC000065606454 184371518 /nfs/dbraw/zinc/37/15/18/184371518.db2.gz GUOXGJIJANXBGI-MRXNPFEDSA-N 2 2 312.417 1.882 50 0 DDAALP Cc1cccn2cc(CC(=O)N3CCC[N@H+]4CCC[C@@H]4C3)[nH+]c12 ZINC000065606454 184371520 /nfs/dbraw/zinc/37/15/20/184371520.db2.gz GUOXGJIJANXBGI-MRXNPFEDSA-N 2 2 312.417 1.882 50 0 DDAALP O=C([C@@H]1CCC[N@H+](Cc2ccco2)C1)N1CCc2[nH+]c[nH]c2C1 ZINC000095353467 407208348 /nfs/dbraw/zinc/20/83/48/407208348.db2.gz HCEBKYXGPDIQJM-CYBMUJFWSA-N 2 2 314.389 1.800 50 0 DDAALP O=C([C@@H]1CCC[N@@H+](Cc2ccco2)C1)N1CCc2[nH+]c[nH]c2C1 ZINC000095353467 407208349 /nfs/dbraw/zinc/20/83/49/407208349.db2.gz HCEBKYXGPDIQJM-CYBMUJFWSA-N 2 2 314.389 1.800 50 0 DDAALP CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCN(c3cccc[nH+]3)C2)C1 ZINC000066050107 407247209 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C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)c2ccc(C[NH3+])o2)C[C@@H](C)O1 ZINC000237408570 407818405 /nfs/dbraw/zinc/81/84/05/407818405.db2.gz JWQWZSHQCDSQFP-MCIONIFRSA-N 2 2 321.421 1.452 50 0 DDAALP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH2+]Cc3cncnc3)C2)cc1 ZINC000192354742 408578445 /nfs/dbraw/zinc/57/84/45/408578445.db2.gz CRQWJHCXMZRKPJ-SFHVURJKSA-N 2 2 312.417 1.857 50 0 DDAALP [NH3+][C@H]1C[C@@H](c2nnc(C[N@@H+]3CCc4n[nH]cc4C3)n2C2CC2)C1 ZINC000252527457 408804003 /nfs/dbraw/zinc/80/40/03/408804003.db2.gz CPPWXBRIDUTXQV-KLPPZKSPSA-N 2 2 313.409 1.099 50 0 DDAALP [NH3+][C@H]1C[C@@H](c2nnc(C[N@H+]3CCc4n[nH]cc4C3)n2C2CC2)C1 ZINC000252527457 408804007 /nfs/dbraw/zinc/80/40/07/408804007.db2.gz CPPWXBRIDUTXQV-KLPPZKSPSA-N 2 2 313.409 1.099 50 0 DDAALP CC(C)n1c[nH+]cc1C[N@@H+]1CC[C@H]2OCc3cnnn3[C@H]2C1 ZINC000299781250 410624155 /nfs/dbraw/zinc/62/41/55/410624155.db2.gz QWOBMEUAQZWSMU-LSDHHAIUSA-N 2 2 302.382 1.401 50 0 DDAALP CC(C)n1c[nH+]cc1C[N@H+]1CC[C@H]2OCc3cnnn3[C@H]2C1 ZINC000299781250 410624159 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Cn1c(C[NH+](C)C)nnc1[C@@H]1CCC[N@@H+](Cc2ccoc2)C1 ZINC000072423087 191158666 /nfs/dbraw/zinc/15/86/66/191158666.db2.gz RGZWURYFACHYAZ-CQSZACIVSA-N 2 2 303.410 1.849 50 0 DDAALP Cn1cc[nH+]c1CN1C[C@H]2CC[C@@H]1C[N@H+](Cc1cccnc1)C2 ZINC000092003180 193139630 /nfs/dbraw/zinc/13/96/30/193139630.db2.gz PQIJSKYUWHCJKM-DLBZAZTESA-N 2 2 311.433 1.912 50 0 DDAALP Cn1cc[nH+]c1CN1C[C@H]2CC[C@@H]1C[N@@H+](Cc1cccnc1)C2 ZINC000092003180 193139631 /nfs/dbraw/zinc/13/96/31/193139631.db2.gz PQIJSKYUWHCJKM-DLBZAZTESA-N 2 2 311.433 1.912 50 0 DDAALP CC[NH+]1CCN(CCNc2nc(C3CC3)[nH+]c3c2CCC3)CC1 ZINC000065288141 184322863 /nfs/dbraw/zinc/32/28/63/184322863.db2.gz HRGYYSKNBDLJFF-UHFFFAOYSA-N 2 2 315.465 1.892 50 0 DDAALP CC1CC[NH+](C[C@H](O)C[N@@H+]2CCC[C@@H]2c2cnn(C)c2)CC1 ZINC000069668377 406754195 /nfs/dbraw/zinc/75/41/95/406754195.db2.gz ITLMIAZDZAMXGN-DLBZAZTESA-N 2 2 306.454 1.650 50 0 DDAALP CC1CC[NH+](C[C@H](O)C[N@H+]2CCC[C@@H]2c2cnn(C)c2)CC1 ZINC000069668377 406754203 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O[C@@]1(C[NH+]2CCCCC2)CC[N@@H+](Cc2ccc3c(c2)OCO3)C1 ZINC000077521486 406994397 /nfs/dbraw/zinc/99/43/97/406994397.db2.gz MNHAGNBOBKGOLY-GOSISDBHSA-N 2 2 318.417 1.838 50 0 DDAALP O=C(Nc1c[nH+]c2n1CCCC2)[C@H]1CCCN1C1CC[NH2+]CC1 ZINC000067974725 407293006 /nfs/dbraw/zinc/29/30/06/407293006.db2.gz NSWAEHYEIMSJMK-CQSZACIVSA-N 2 2 317.437 1.374 50 0 DDAALP COc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)C2)c(F)c1 ZINC000097813873 407302667 /nfs/dbraw/zinc/30/26/67/407302667.db2.gz IINMDFKJGWIQKR-OAHLLOKOSA-N 2 2 307.413 1.656 50 0 DDAALP COc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)C2)c(F)c1 ZINC000097813873 407302670 /nfs/dbraw/zinc/30/26/70/407302670.db2.gz IINMDFKJGWIQKR-OAHLLOKOSA-N 2 2 307.413 1.656 50 0 DDAALP O=C(NCC[NH+]1CCOCC1)c1ccc([C@H]2CCC[NH2+]C2)cc1 ZINC000215790962 407489622 /nfs/dbraw/zinc/48/96/22/407489622.db2.gz WPVKGHLUFKUAMK-KRWDZBQOSA-N 2 2 317.433 1.216 50 0 DDAALP CC(C)n1nnnc1C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000170590940 407446100 /nfs/dbraw/zinc/44/61/00/407446100.db2.gz DRPAAOCGOVNWPI-CYBMUJFWSA-N 2 2 303.414 1.442 50 0 DDAALP CC(C)n1nnnc1C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000170590940 407446105 /nfs/dbraw/zinc/44/61/05/407446105.db2.gz DRPAAOCGOVNWPI-CYBMUJFWSA-N 2 2 303.414 1.442 50 0 DDAALP [NH3+][C@@H]1CCC[C@@H](C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000237857713 407846731 /nfs/dbraw/zinc/84/67/31/407846731.db2.gz GGTGVJWUQYPXQA-BZUAXINKSA-N 2 2 309.454 1.217 50 0 DDAALP COCCCNC(=O)[C@@H](C)[NH+]1CCN(c2cc[nH+]cc2C)CC1 ZINC000192565514 408611992 /nfs/dbraw/zinc/61/19/92/408611992.db2.gz HSFXEOGKNSQCEA-OAHLLOKOSA-N 2 2 320.437 1.053 50 0 DDAALP COc1ccc2[nH]c(CCNC(=O)N3CC[NH2+][C@H](C)C3)[nH+]c2c1 ZINC000426689214 419530526 /nfs/dbraw/zinc/53/05/26/419530526.db2.gz LCYVGFRULMCFRZ-LLVKDONJSA-N 2 2 317.393 1.117 50 0 DDAALP CC[N@@H+]1CC[C@H](NC(=O)N2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000515044535 421473963 /nfs/dbraw/zinc/47/39/63/421473963.db2.gz IBMWFCQIEMWZKN-INIZCTEOSA-N 2 2 317.437 1.003 50 0 DDAALP CC[N@H+]1CC[C@H](NC(=O)N2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000515044535 421473967 /nfs/dbraw/zinc/47/39/67/421473967.db2.gz IBMWFCQIEMWZKN-INIZCTEOSA-N 2 2 317.437 1.003 50 0 DDAALP CC(C)(C)c1cc(N)nc(N2CC[N@H+](CCO)C(C)(C)C2)[nH+]1 ZINC000585139180 422312077 /nfs/dbraw/zinc/31/20/77/422312077.db2.gz IZWRXHYGWLWBRC-UHFFFAOYSA-N 2 2 307.442 1.249 50 0 DDAALP CC(C)(C)c1cc(N)nc(N2CC[N@@H+](CCO)C(C)(C)C2)[nH+]1 ZINC000585139180 422312082 /nfs/dbraw/zinc/31/20/82/422312082.db2.gz IZWRXHYGWLWBRC-UHFFFAOYSA-N 2 2 307.442 1.249 50 0 DDAALP Cc1[nH+]ccn1[C@H](C)C[NH+]1CCN(c2nc(C)cnc2C)CC1 ZINC000020858686 696071379 /nfs/dbraw/zinc/07/13/79/696071379.db2.gz QNXAZNPJLXCCRU-CQSZACIVSA-N 2 2 314.437 1.982 50 0 DDAALP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2cscn2)nc[nH+]1 ZINC000072276611 191098091 /nfs/dbraw/zinc/09/80/91/191098091.db2.gz ZVOQIEHYPNLQHD-GFCCVEGCSA-N 2 2 304.423 1.733 50 0 DDAALP CCn1ccnc1C[NH2+]C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000072276625 191098415 /nfs/dbraw/zinc/09/84/15/191098415.db2.gz XDTUXKIZNGTOLX-ZDUSSCGKSA-N 2 2 315.425 1.493 50 0 DDAALP C[NH+]1CCN(C(=O)C2CC[NH+](Cc3ccccc3F)CC2)CC1 ZINC000004680959 181136101 /nfs/dbraw/zinc/13/61/01/181136101.db2.gz AEQNGJPLAFXGJS-UHFFFAOYSA-N 2 2 319.424 1.812 50 0 DDAALP Cc1nn(C[C@H](C)[NH2+][C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)c(=O)o1 ZINC000585141263 354814941 /nfs/dbraw/zinc/81/49/41/354814941.db2.gz SHEJGUPHQQLMJK-XEZPLFJOSA-N 2 2 318.421 1.814 50 0 DDAALP CC[NH+](CC)CCNC[C@@H]1c2cc(O)c(OC)cc2CC[N@H+]1C ZINC000022026998 182304925 /nfs/dbraw/zinc/30/49/25/182304925.db2.gz RIEVIAZFKJDEBZ-MRXNPFEDSA-N 2 2 321.465 1.861 50 0 DDAALP CC[NH+](CC)CCNC[C@@H]1c2cc(O)c(OC)cc2CC[N@@H+]1C ZINC000022026998 182304926 /nfs/dbraw/zinc/30/49/26/182304926.db2.gz RIEVIAZFKJDEBZ-MRXNPFEDSA-N 2 2 321.465 1.861 50 0 DDAALP CCCCc1nc(C[NH+]2CCC(n3cc(C[NH3+])nn3)CC2)c[nH]1 ZINC000043082542 183335328 /nfs/dbraw/zinc/33/53/28/183335328.db2.gz ZEOABBXOPAQXQO-UHFFFAOYSA-N 2 2 317.441 1.640 50 0 DDAALP CCCCc1ncc(C[NH+]2CCC(n3cc(C[NH3+])nn3)CC2)[nH]1 ZINC000043082542 183335331 /nfs/dbraw/zinc/33/53/31/183335331.db2.gz ZEOABBXOPAQXQO-UHFFFAOYSA-N 2 2 317.441 1.640 50 0 DDAALP Cc1c[nH+]c(NC[C@H](O)C[NH+]2CCCCCC2)nc1N(C)C ZINC000065405526 184338208 /nfs/dbraw/zinc/33/82/08/184338208.db2.gz JAZCCPNSTXWRSD-AWEZNQCLSA-N 2 2 307.442 1.500 50 0 DDAALP C[NH+](C)CCSc1nc2sc3c(c2c(N)n1)CC[N@H+](C)C3 ZINC000000540748 406656549 /nfs/dbraw/zinc/65/65/49/406656549.db2.gz VIVCAVMKYXPBHO-UHFFFAOYSA-N 2 2 323.491 1.915 50 0 DDAALP C[NH+](C)CCSc1nc2sc3c(c2c(N)n1)CC[N@@H+](C)C3 ZINC000000540748 406656550 /nfs/dbraw/zinc/65/65/50/406656550.db2.gz VIVCAVMKYXPBHO-UHFFFAOYSA-N 2 2 323.491 1.915 50 0 DDAALP Cc1nc2n(n1)C[C@H]([NH2+]Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC000069927756 406793384 /nfs/dbraw/zinc/79/33/84/406793384.db2.gz FVWJBIUUDQSIMW-OAHLLOKOSA-N 2 2 308.389 1.877 50 0 DDAALP O[C@]1(CN2CC[NH+](Cc3cccc(Cl)c3)CC2)CCC[NH2+]C1 ZINC000077355960 406987079 /nfs/dbraw/zinc/98/70/79/406987079.db2.gz BWQLWELOYCPPEO-QGZVFWFLSA-N 2 2 323.868 1.572 50 0 DDAALP O[C@]1(C[NH+]2CCN(Cc3cccc(Cl)c3)CC2)CCC[NH2+]C1 ZINC000077355960 406987080 /nfs/dbraw/zinc/98/70/80/406987080.db2.gz BWQLWELOYCPPEO-QGZVFWFLSA-N 2 2 323.868 1.572 50 0 DDAALP C[NH+]1CCC([N@H+](CCO)Cc2ccc3c(c2)OCCO3)CC1 ZINC000089375233 407132722 /nfs/dbraw/zinc/13/27/22/407132722.db2.gz ZQFBJLXTDXLNHF-UHFFFAOYSA-N 2 2 306.406 1.346 50 0 DDAALP C[NH+]1CCC([N@@H+](CCO)Cc2ccc3c(c2)OCCO3)CC1 ZINC000089375233 407132723 /nfs/dbraw/zinc/13/27/23/407132723.db2.gz ZQFBJLXTDXLNHF-UHFFFAOYSA-N 2 2 306.406 1.346 50 0 DDAALP C[NH+]1CCN(c2cc(N3CCCCCCCC3)[nH+]c(N)n2)CC1 ZINC000065454878 407242779 /nfs/dbraw/zinc/24/27/79/407242779.db2.gz ITCABIYYGUFWJN-UHFFFAOYSA-N 2 2 318.469 1.971 50 0 DDAALP CN(Cc1ccccc1)c1[nH+]cccc1CNC(=O)[C@H]1CC[NH2+]C1 ZINC000067513779 407275500 /nfs/dbraw/zinc/27/55/00/407275500.db2.gz SDJIODFTDROTTM-KRWDZBQOSA-N 2 2 324.428 1.944 50 0 DDAALP C[C@H](C[NH2+]C1CC[NH+](Cc2ccccn2)CC1)N1CCOCC1 ZINC000067920556 407290535 /nfs/dbraw/zinc/29/05/35/407290535.db2.gz ZDAJREBOPAFFMY-MRXNPFEDSA-N 2 2 318.465 1.356 50 0 DDAALP C[N@H+](CC(=O)NCc1ccc(F)cc1Cl)C1CC[NH2+]CC1 ZINC000097570774 407300017 /nfs/dbraw/zinc/30/00/17/407300017.db2.gz QARGXBQFVONRKN-UHFFFAOYSA-N 2 2 313.804 1.779 50 0 DDAALP C[N@@H+](CC(=O)NCc1ccc(F)cc1Cl)C1CC[NH2+]CC1 ZINC000097570774 407300019 /nfs/dbraw/zinc/30/00/19/407300019.db2.gz QARGXBQFVONRKN-UHFFFAOYSA-N 2 2 313.804 1.779 50 0 DDAALP CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@@H]2C[NH+]3CCN2CC3)c1 ZINC000090647411 484013243 /nfs/dbraw/zinc/01/32/43/484013243.db2.gz CEMIZWALUMOYFZ-SUMWQHHRSA-N 2 2 302.422 1.295 50 0 DDAALP C[N@H+](C[C@H](O)C[NH+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1)C1CC1 ZINC000328167873 698745635 /nfs/dbraw/zinc/74/56/35/698745635.db2.gz JHMKVBLQGZCYBU-NJAFHUGGSA-N 3 2 303.450 1.116 50 0 DDAALP C[N@@H+](C[C@H](O)C[NH+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1)C1CC1 ZINC000328167873 698745637 /nfs/dbraw/zinc/74/56/37/698745637.db2.gz JHMKVBLQGZCYBU-NJAFHUGGSA-N 3 2 303.450 1.116 50 0 DDAALP C[NH+](C[C@H](O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1)C1CC1 ZINC000328167873 698745638 /nfs/dbraw/zinc/74/56/38/698745638.db2.gz JHMKVBLQGZCYBU-NJAFHUGGSA-N 3 2 303.450 1.116 50 0 DDAALP C[NH+](C[C@H](O)C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1)C1CC1 ZINC000328167873 698745640 /nfs/dbraw/zinc/74/56/40/698745640.db2.gz JHMKVBLQGZCYBU-NJAFHUGGSA-N 3 2 303.450 1.116 50 0 DDAALP COCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000095530926 185378765 /nfs/dbraw/zinc/37/87/65/185378765.db2.gz OXTSTAXYXPAPBX-CQSZACIVSA-N 2 2 317.393 1.132 50 0 DDAALP C[C@H](C(=O)N[C@@H]1CCc2[nH+]ccn2C1)[N@@H+]1CCc2ccccc2C1 ZINC000078927800 185129821 /nfs/dbraw/zinc/12/98/21/185129821.db2.gz RGZBJANEXACSTR-RHSMWYFYSA-N 2 2 324.428 1.761 50 0 DDAALP C[C@H](C(=O)N[C@@H]1CCc2[nH+]ccn2C1)[N@H+]1CCc2ccccc2C1 ZINC000078927800 185129823 /nfs/dbraw/zinc/12/98/23/185129823.db2.gz RGZBJANEXACSTR-RHSMWYFYSA-N 2 2 324.428 1.761 50 0 DDAALP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)c2nnc(C)o2)nc[nH+]1 ZINC000072276618 191099210 /nfs/dbraw/zinc/09/92/10/191099210.db2.gz HATKXZQJMCDCPK-JQWIXIFHSA-N 2 2 317.397 1.529 50 0 DDAALP C[C@H]1CN(C(=O)c2ccc(Cn3cc[nH+]c3)o2)C[C@@H]1[NH+](C)C ZINC000076056694 353394698 /nfs/dbraw/zinc/39/46/98/353394698.db2.gz CTAUVSVKVNEQNJ-JSGCOSHPSA-N 2 2 302.378 1.547 50 0 DDAALP C[NH+](C)CC(=O)N1CCC(c2[nH+]ccn2CC2CCC2)CC1 ZINC000091691451 193092612 /nfs/dbraw/zinc/09/26/12/193092612.db2.gz QFYVKORJPKWSKP-UHFFFAOYSA-N 2 2 304.438 1.951 50 0 DDAALP CC(C)c1nc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)no1 ZINC000069947329 406794234 /nfs/dbraw/zinc/79/42/34/406794234.db2.gz REVYGFPZWYLNKH-ZDUSSCGKSA-N 2 2 310.442 1.718 50 0 DDAALP CC(C)c1nc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)no1 ZINC000069947329 406794239 /nfs/dbraw/zinc/79/42/39/406794239.db2.gz REVYGFPZWYLNKH-ZDUSSCGKSA-N 2 2 310.442 1.718 50 0 DDAALP CC(C)[C@@H](C(=O)N1CC[NH+](C[C@@H](C)O)CC1)[NH+]1CCCCC1 ZINC000070011070 406802216 /nfs/dbraw/zinc/80/22/16/406802216.db2.gz WMLVPAGTLHSEKG-CVEARBPZSA-N 2 2 311.470 1.022 50 0 DDAALP CNc1cc(N2CCC[C@@H]2CNc2[nH+]cnc3[nH]ccc32)nc[nH+]1 ZINC000071859445 406854342 /nfs/dbraw/zinc/85/43/42/406854342.db2.gz KIGQPCQWHIJAGQ-LLVKDONJSA-N 2 2 324.392 1.871 50 0 DDAALP CNc1cc(N2CCC[C@@H]2CNc2[nH+]cnc3[nH]ccc32)[nH+]cn1 ZINC000071859445 406854347 /nfs/dbraw/zinc/85/43/47/406854347.db2.gz KIGQPCQWHIJAGQ-LLVKDONJSA-N 2 2 324.392 1.871 50 0 DDAALP CC1CC[NH+](C[C@H](O)CN2CCc3c([nH+]cn3C3CC3)C2)CC1 ZINC000071877065 406860161 /nfs/dbraw/zinc/86/01/61/406860161.db2.gz PGMSTBSVYYFGHF-INIZCTEOSA-N 2 2 318.465 1.669 50 0 DDAALP CC(C)Cn1cc[nH+]c1CNC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000074536489 406914797 /nfs/dbraw/zinc/91/47/97/406914797.db2.gz FAAQCGAEYGTMAW-AWEZNQCLSA-N 2 2 307.442 1.775 50 0 DDAALP CNC(=O)[C@@H](C)Cn1cc[nH+]c1-c1cccc(C[NH+](C)C)c1 ZINC000082098525 407080852 /nfs/dbraw/zinc/08/08/52/407080852.db2.gz JEHCTRVKLNQDBG-ZDUSSCGKSA-N 2 2 300.406 1.994 50 0 DDAALP CC(=O)Nc1cccc(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000096424590 407263947 /nfs/dbraw/zinc/26/39/47/407263947.db2.gz TXMJSOBTPZLLMX-QGZVFWFLSA-N 2 2 317.433 1.799 50 0 DDAALP CC(=O)Nc1cccc(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000096424590 407263949 /nfs/dbraw/zinc/26/39/49/407263949.db2.gz TXMJSOBTPZLLMX-QGZVFWFLSA-N 2 2 317.433 1.799 50 0 DDAALP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](Cc3nnnn3C3CC3)C2)c1 ZINC000097200771 407286825 /nfs/dbraw/zinc/28/68/25/407286825.db2.gz IJYKVTOPIHSBCO-ZDUSSCGKSA-N 2 2 313.409 1.645 50 0 DDAALP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](Cc3nnnn3C3CC3)C2)c1 ZINC000097200771 407286827 /nfs/dbraw/zinc/28/68/27/407286827.db2.gz IJYKVTOPIHSBCO-ZDUSSCGKSA-N 2 2 313.409 1.645 50 0 DDAALP Cn1c(C[NH+]2CCC(c3cc[nH]n3)CC2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000244691680 407930252 /nfs/dbraw/zinc/93/02/52/407930252.db2.gz JHCWETUVGHPGKM-BETUJISGSA-N 2 2 315.425 1.123 50 0 DDAALP CN(Cc1c[nH+]c2ccccn12)c1cc([C@H]2C[C@H]([NH3+])C2)ncn1 ZINC000244647100 407931644 /nfs/dbraw/zinc/93/16/44/407931644.db2.gz GVCGVDSEWCYFAY-JOCQHMNTSA-N 2 2 308.389 1.965 50 0 DDAALP CCn1cc[nH+]c1CN1CC[N@H+](C[C@H]2CCCCO2)C[C@@H]1C ZINC000252475213 222244088 /nfs/dbraw/zinc/24/40/88/222244088.db2.gz VYMNKXQWSCGXSR-JKSUJKDBSA-N 2 2 306.454 1.978 50 0 DDAALP CCn1cc[nH+]c1CN1CC[N@@H+](C[C@H]2CCCCO2)C[C@@H]1C ZINC000252475213 222244092 /nfs/dbraw/zinc/24/40/92/222244092.db2.gz VYMNKXQWSCGXSR-JKSUJKDBSA-N 2 2 306.454 1.978 50 0 DDAALP C[C@H](O)CC[N@@H+]1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000408521446 418808305 /nfs/dbraw/zinc/80/83/05/418808305.db2.gz UOMKFMKUJJHKHW-GJZGRUSLSA-N 2 2 305.422 1.906 50 0 DDAALP C[C@@H](C1CC[NH+](Cc2nc(C3CC3)no2)CC1)[NH+]1CCOCC1 ZINC000011774501 696047983 /nfs/dbraw/zinc/04/79/83/696047983.db2.gz OKIIETOODQKKJX-ZDUSSCGKSA-N 2 2 320.437 1.880 50 0 DDAALP CC(C)Cn1cc[nH+]c1CNC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000074535762 353319072 /nfs/dbraw/zinc/31/90/72/353319072.db2.gz GOJZXGNRGBEFPH-HNNXBMFYSA-N 2 2 319.453 1.919 50 0 DDAALP C[C@H]1C[C@H]([NH2+]Cc2c(C(=O)OC(C)(C)C)cnn2C)CC[N@@H+]1C ZINC000585140769 354813913 /nfs/dbraw/zinc/81/39/13/354813913.db2.gz JJPDEBISQMYMRD-QWHCGFSZSA-N 2 2 322.453 1.948 50 0 DDAALP C[C@H]1C[C@H]([NH2+]Cc2c(C(=O)OC(C)(C)C)cnn2C)CC[N@H+]1C ZINC000585140769 354813915 /nfs/dbraw/zinc/81/39/15/354813915.db2.gz JJPDEBISQMYMRD-QWHCGFSZSA-N 2 2 322.453 1.948 50 0 DDAALP O=C(CC[NH2+]CCCn1cc[nH+]c1)N1CCc2ccccc2C1 ZINC000065490270 184353846 /nfs/dbraw/zinc/35/38/46/184353846.db2.gz SDWHOEDYKAIJEA-UHFFFAOYSA-N 2 2 312.417 1.838 50 0 DDAALP CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCN(c3cccc[nH+]3)C2)C1 ZINC000069348210 406697313 /nfs/dbraw/zinc/69/73/13/406697313.db2.gz LPAQTRNGWBGYNS-CVEARBPZSA-N 2 2 316.449 1.899 50 0 DDAALP CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCN(c3cccc[nH+]3)C2)C1 ZINC000069348210 406697315 /nfs/dbraw/zinc/69/73/15/406697315.db2.gz LPAQTRNGWBGYNS-CVEARBPZSA-N 2 2 316.449 1.899 50 0 DDAALP CNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000069563907 406734474 /nfs/dbraw/zinc/73/44/74/406734474.db2.gz JYVHXAJCBGBSRU-AWEZNQCLSA-N 2 2 310.442 1.030 50 0 DDAALP CNC(=O)NC(=O)C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000069563907 406734479 /nfs/dbraw/zinc/73/44/79/406734479.db2.gz JYVHXAJCBGBSRU-AWEZNQCLSA-N 2 2 310.442 1.030 50 0 DDAALP CC[NH+]1CCN(C2=[NH+]CCN2C(=O)c2cccc(Cl)c2)CC1 ZINC000096339187 407259017 /nfs/dbraw/zinc/25/90/17/407259017.db2.gz ITJBINCTDOFWKG-UHFFFAOYSA-N 2 2 320.824 1.789 50 0 DDAALP CCCc1nnc(N2CC[NH+](C[C@H]3CCC[N@H+](C)C3)CC2)o1 ZINC000095368773 407209792 /nfs/dbraw/zinc/20/97/92/407209792.db2.gz IOQOLSZHCIWKCT-AWEZNQCLSA-N 2 2 307.442 1.486 50 0 DDAALP CCCc1nnc(N2CC[NH+](C[C@H]3CCC[N@@H+](C)C3)CC2)o1 ZINC000095368773 407209795 /nfs/dbraw/zinc/20/97/95/407209795.db2.gz IOQOLSZHCIWKCT-AWEZNQCLSA-N 2 2 307.442 1.486 50 0 DDAALP CCOCC[N@@H+]1CCN(C(=O)c2ccc3[nH+]ccn3c2)C[C@H]1C ZINC000172218639 407814113 /nfs/dbraw/zinc/81/41/13/407814113.db2.gz YXFOMRSDEAIMDX-CQSZACIVSA-N 2 2 316.405 1.517 50 0 DDAALP CCOCC[N@H+]1CCN(C(=O)c2ccc3[nH+]ccn3c2)C[C@H]1C ZINC000172218639 407814116 /nfs/dbraw/zinc/81/41/16/407814116.db2.gz YXFOMRSDEAIMDX-CQSZACIVSA-N 2 2 316.405 1.517 50 0 DDAALP Cn1c[nH+]cc1CCC(=O)N[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000242284649 407916228 /nfs/dbraw/zinc/91/62/28/407916228.db2.gz YINLLIUNQHMXNG-SJORKVTESA-N 2 2 312.417 1.567 50 0 DDAALP COCc1noc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)n1 ZINC000182329132 408128796 /nfs/dbraw/zinc/12/87/96/408128796.db2.gz UJRYRDVBQKVYTH-GFCCVEGCSA-N 2 2 303.366 1.545 50 0 DDAALP COCc1noc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)n1 ZINC000182329132 408128803 /nfs/dbraw/zinc/12/88/03/408128803.db2.gz UJRYRDVBQKVYTH-GFCCVEGCSA-N 2 2 303.366 1.545 50 0 DDAALP COc1cc(N2CC[NH+](CC[C@H]3CCC[N@@H+]3C)CC2)ncn1 ZINC000184088699 408548025 /nfs/dbraw/zinc/54/80/25/408548025.db2.gz LVVGREDQPFEEKP-CQSZACIVSA-N 2 2 305.426 1.092 50 0 DDAALP COc1cc(N2CC[NH+](CC[C@H]3CCC[N@H+]3C)CC2)ncn1 ZINC000184088699 408548029 /nfs/dbraw/zinc/54/80/29/408548029.db2.gz LVVGREDQPFEEKP-CQSZACIVSA-N 2 2 305.426 1.092 50 0 DDAALP C[C@@H](CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1)Cn1cc[nH+]c1 ZINC000193319823 163252362 /nfs/dbraw/zinc/25/23/62/163252362.db2.gz UVCLYUIMZBDRIG-GOEBONIOSA-N 2 2 320.437 1.279 50 0 DDAALP C[C@@H](CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1)Cn1cc[nH+]c1 ZINC000193319823 163252363 /nfs/dbraw/zinc/25/23/63/163252363.db2.gz UVCLYUIMZBDRIG-GOEBONIOSA-N 2 2 320.437 1.279 50 0 DDAALP C[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C[C@H]1n1cc[nH+]c1 ZINC000279838396 409250439 /nfs/dbraw/zinc/25/04/39/409250439.db2.gz JJXGNSOSXPSQBK-UKRRQHHQSA-N 2 2 301.394 1.659 50 0 DDAALP C[N@H+](CC(=O)N1CC[C@@H](c2ccc(F)cc2)C1)C1CC[NH2+]CC1 ZINC000299756235 410607536 /nfs/dbraw/zinc/60/75/36/410607536.db2.gz FBIGCZXYKJVXNF-OAHLLOKOSA-N 2 2 319.424 1.825 50 0 DDAALP C[N@@H+](CC(=O)N1CC[C@@H](c2ccc(F)cc2)C1)C1CC[NH2+]CC1 ZINC000299756235 410607541 /nfs/dbraw/zinc/60/75/41/410607541.db2.gz FBIGCZXYKJVXNF-OAHLLOKOSA-N 2 2 319.424 1.825 50 0 DDAALP Cn1cc([C@@H](CNc2cc(N3CCCC3)[nH+]cn2)[NH+](C)C)cn1 ZINC000302873439 410881630 /nfs/dbraw/zinc/88/16/30/410881630.db2.gz CRGMBYRBUJJBHA-CQSZACIVSA-N 2 2 315.425 1.525 50 0 DDAALP CCn1cc[nH+]c1CNC(=O)[C@H](C(C)C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000331332456 529576669 /nfs/dbraw/zinc/57/66/69/529576669.db2.gz PASXVSHDGLSCCM-DZKIICNBSA-N 2 2 322.453 1.653 50 0 DDAALP C[C@@H](CNc1nc(N)c2ccccc2[nH+]1)C[NH+]1CCOCC1 ZINC000097031861 185398950 /nfs/dbraw/zinc/39/89/50/185398950.db2.gz OETZRMHVNHMFPC-LBPRGKRZSA-N 2 2 301.394 1.592 50 0 DDAALP COCCC[N@H+](Cc1[nH]cc(C)c(=O)c1C)C1CC[NH+](C)CC1 ZINC000072158060 191061482 /nfs/dbraw/zinc/06/14/82/191061482.db2.gz FNLSGKGWGXAFAV-UHFFFAOYSA-N 2 2 321.465 1.924 50 0 DDAALP COCCC[N@@H+](Cc1[nH]cc(C)c(=O)c1C)C1CC[NH+](C)CC1 ZINC000072158060 191061484 /nfs/dbraw/zinc/06/14/84/191061484.db2.gz FNLSGKGWGXAFAV-UHFFFAOYSA-N 2 2 321.465 1.924 50 0 DDAALP Cc1ccc2[nH]c(CCC[NH2+]C[C@@]3(O)CCC[NH2+]C3)[nH+]c2c1C ZINC000072478049 191180129 /nfs/dbraw/zinc/18/01/29/191180129.db2.gz JQOPLHYGRKBDNY-SFHVURJKSA-N 3 2 316.449 1.816 50 0 DDAALP Cc1ccc2[nH+]c(CCC[NH2+]C[C@@]3(O)CCC[NH2+]C3)[nH]c2c1C ZINC000072478049 191180132 /nfs/dbraw/zinc/18/01/32/191180132.db2.gz JQOPLHYGRKBDNY-SFHVURJKSA-N 3 2 316.449 1.816 50 0 DDAALP O=C(C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)NCc1cccs1 ZINC000080959356 353639336 /nfs/dbraw/zinc/63/93/36/353639336.db2.gz AAMLTVJCBCDWDH-LBPRGKRZSA-N 2 2 304.419 1.967 50 0 DDAALP O=C(C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)NCc1cccs1 ZINC000080959356 353639337 /nfs/dbraw/zinc/63/93/37/353639337.db2.gz AAMLTVJCBCDWDH-LBPRGKRZSA-N 2 2 304.419 1.967 50 0 DDAALP CN(C)C(=O)c1ccc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)[nH]1 ZINC000188407750 200240967 /nfs/dbraw/zinc/24/09/67/200240967.db2.gz VIPASHIODDXLKK-CQSZACIVSA-N 2 2 301.394 1.578 50 0 DDAALP CN(C)C(=O)c1ccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)[nH]1 ZINC000188407750 200240969 /nfs/dbraw/zinc/24/09/69/200240969.db2.gz VIPASHIODDXLKK-CQSZACIVSA-N 2 2 301.394 1.578 50 0 DDAALP O=C1CCC2(CC[NH+](CCn3cc[nH+]c3)CC2)CN1CC1CC1 ZINC000092028263 284785175 /nfs/dbraw/zinc/78/51/75/284785175.db2.gz YJRYOPHJPTXUFC-UHFFFAOYSA-N 2 2 316.449 1.998 50 0 DDAALP C[NH+]1CCC(NC(=O)c2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000065364098 184328696 /nfs/dbraw/zinc/32/86/96/184328696.db2.gz WQNFSZCLPRCAGY-UHFFFAOYSA-N 2 2 317.433 1.343 50 0 DDAALP CCn1ccnc1C[NH+]1CCC(CO)(C[NH+]2CCCC2)CC1 ZINC000223291957 407568295 /nfs/dbraw/zinc/56/82/95/407568295.db2.gz NONNAYACRRIKJI-UHFFFAOYSA-N 2 2 306.454 1.573 50 0 DDAALP CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000069592567 406740424 /nfs/dbraw/zinc/74/04/24/406740424.db2.gz FRCTYPWGQGNHHJ-OAHLLOKOSA-N 2 2 324.469 1.420 50 0 DDAALP CCNC(=O)NC(=O)C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000069592567 406740429 /nfs/dbraw/zinc/74/04/29/406740429.db2.gz FRCTYPWGQGNHHJ-OAHLLOKOSA-N 2 2 324.469 1.420 50 0 DDAALP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1ccncc1 ZINC000069740703 406765595 /nfs/dbraw/zinc/76/55/95/406765595.db2.gz KLQBCDQBLLOUSQ-UHFFFAOYSA-N 2 2 319.453 1.249 50 0 DDAALP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1ccncc1 ZINC000069740703 406765600 /nfs/dbraw/zinc/76/56/00/406765600.db2.gz KLQBCDQBLLOUSQ-UHFFFAOYSA-N 2 2 319.453 1.249 50 0 DDAALP C[N@H+](CC(=O)N1CC[NH+](CC(C)(C)O)CC1)Cc1ccccc1 ZINC000069952101 406796240 /nfs/dbraw/zinc/79/62/40/406796240.db2.gz JQEHBEBSFOLUAY-UHFFFAOYSA-N 2 2 319.449 1.034 50 0 DDAALP C[N@@H+](CC(=O)N1CC[NH+](CC(C)(C)O)CC1)Cc1ccccc1 ZINC000069952101 406796245 /nfs/dbraw/zinc/79/62/45/406796245.db2.gz JQEHBEBSFOLUAY-UHFFFAOYSA-N 2 2 319.449 1.034 50 0 DDAALP Cc1n[nH]cc1C[NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000097159395 407284156 /nfs/dbraw/zinc/28/41/56/407284156.db2.gz RQKSNBFYCZDCOM-KRWDZBQOSA-N 2 2 300.406 1.227 50 0 DDAALP Cc1n[nH]cc1C[NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000097159395 407284159 /nfs/dbraw/zinc/28/41/59/407284159.db2.gz RQKSNBFYCZDCOM-KRWDZBQOSA-N 2 2 300.406 1.227 50 0 DDAALP CC[N@H+](C)[C@@H](C(=O)N1CC[NH+](C[C@H](C)O)CC1)c1ccccc1 ZINC000106868936 407364101 /nfs/dbraw/zinc/36/41/01/407364101.db2.gz CWVGZXSYEQCIHC-DOTOQJQBSA-N 2 2 319.449 1.204 50 0 DDAALP CC[N@@H+](C)[C@@H](C(=O)N1CC[NH+](C[C@H](C)O)CC1)c1ccccc1 ZINC000106868936 407364103 /nfs/dbraw/zinc/36/41/03/407364103.db2.gz CWVGZXSYEQCIHC-DOTOQJQBSA-N 2 2 319.449 1.204 50 0 DDAALP OC[C@H]1CCCN1c1cc(N2CC[C@@H]([NH+]3CCCC3)C2)nc[nH+]1 ZINC000229333550 407657183 /nfs/dbraw/zinc/65/71/83/407657183.db2.gz IKLDRJATFVFKNK-HUUCEWRRSA-N 2 2 317.437 1.112 50 0 DDAALP COCc1nc(NCCCn2cc[nH+]c2)cc([C@H]2C[C@H]([NH3+])C2)n1 ZINC000244574825 407928285 /nfs/dbraw/zinc/92/82/85/407928285.db2.gz CSAMFAUSYJFMMW-JOCQHMNTSA-N 2 2 316.409 1.526 50 0 DDAALP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@H]2CCN(CC(F)(F)F)C2)C1 ZINC000252511416 408802586 /nfs/dbraw/zinc/80/25/86/408802586.db2.gz GNRHGQFNFVUDTO-UONOGXRCSA-N 2 2 323.403 1.569 50 0 DDAALP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@H]2CCN(CC(F)(F)F)C2)C1 ZINC000252511416 408802588 /nfs/dbraw/zinc/80/25/88/408802588.db2.gz GNRHGQFNFVUDTO-UONOGXRCSA-N 2 2 323.403 1.569 50 0 DDAALP CC[C@@H](NC(=O)c1cccc(OCC[NH3+])c1)c1[nH]cc(C)[nH+]1 ZINC000426438767 419471814 /nfs/dbraw/zinc/47/18/14/419471814.db2.gz DLHDGSMNXMXIEQ-CQSZACIVSA-N 2 2 302.378 1.937 50 0 DDAALP Cc1nc(NCC(C)(C)[NH+]2CCOCC2)cc([C@@H]2CCOC2)[nH+]1 ZINC000426613626 419517281 /nfs/dbraw/zinc/51/72/81/419517281.db2.gz LXRNCOLXMMXWCX-CQSZACIVSA-N 2 2 320.437 1.812 50 0 DDAALP OC[C@H]1CC[N@H+](Cc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000670456186 484841896 /nfs/dbraw/zinc/84/18/96/484841896.db2.gz CEKIWIAUSRWMGY-HNNXBMFYSA-N 2 2 301.390 1.776 50 0 DDAALP OC[C@H]1CC[N@@H+](Cc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000670456186 484841899 /nfs/dbraw/zinc/84/18/99/484841899.db2.gz CEKIWIAUSRWMGY-HNNXBMFYSA-N 2 2 301.390 1.776 50 0 DDAALP C[NH+]1CCC([N@@H+]2CCC[C@H](NC(=O)c3cscn3)C2)CC1 ZINC000014958986 696056516 /nfs/dbraw/zinc/05/65/16/696056516.db2.gz CLGVTFKCDGGUJC-LBPRGKRZSA-N 2 2 308.451 1.432 50 0 DDAALP C[NH+]1CCC([N@H+]2CCC[C@H](NC(=O)c3cscn3)C2)CC1 ZINC000014958986 696056518 /nfs/dbraw/zinc/05/65/18/696056518.db2.gz CLGVTFKCDGGUJC-LBPRGKRZSA-N 2 2 308.451 1.432 50 0 DDAALP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2nnc(C)o2)nc[nH+]1 ZINC000072276620 191097951 /nfs/dbraw/zinc/09/79/51/191097951.db2.gz HATKXZQJMCDCPK-CMPLNLGQSA-N 2 2 317.397 1.529 50 0 DDAALP C[C@H]1C[C@@H]([NH2+]Cc2c(C(=O)OC(C)(C)C)cnn2C)CC[N@@H+]1C ZINC000585140770 354813791 /nfs/dbraw/zinc/81/37/91/354813791.db2.gz JJPDEBISQMYMRD-STQMWFEESA-N 2 2 322.453 1.948 50 0 DDAALP C[C@H]1C[C@@H]([NH2+]Cc2c(C(=O)OC(C)(C)C)cnn2C)CC[N@H+]1C ZINC000585140770 354813793 /nfs/dbraw/zinc/81/37/93/354813793.db2.gz JJPDEBISQMYMRD-STQMWFEESA-N 2 2 322.453 1.948 50 0 DDAALP COc1ccccc1C[NH+]1CCN(C(=O)C2CC[NH2+]CC2)CC1 ZINC000237165591 202173705 /nfs/dbraw/zinc/17/37/05/202173705.db2.gz RPZNLOXXMYNURW-UHFFFAOYSA-N 2 2 317.433 1.339 50 0 DDAALP COc1ccc(C[NH+]2CCN(C(=O)C(C)(C)[NH3+])CC2)cc1F ZINC000237273393 202212117 /nfs/dbraw/zinc/21/21/17/202212117.db2.gz VVZNFSYVAZTBKC-UHFFFAOYSA-N 2 2 309.385 1.216 50 0 DDAALP Cc1cccc([C@@H](C(=O)N2CC[NH+](CCCO)CC2)[NH+](C)C)c1 ZINC000095382902 193441283 /nfs/dbraw/zinc/44/12/83/193441283.db2.gz YANLODKTQAKDKE-KRWDZBQOSA-N 2 2 319.449 1.124 50 0 DDAALP CCOc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CCC[N@@H+]2CC)cc1 ZINC000022920910 182340972 /nfs/dbraw/zinc/34/09/72/182340972.db2.gz JVXSYAHNRVHKSR-JKSUJKDBSA-N 2 2 322.449 1.899 50 0 DDAALP CCOc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CCC[N@H+]2CC)cc1 ZINC000022920910 182340976 /nfs/dbraw/zinc/34/09/76/182340976.db2.gz JVXSYAHNRVHKSR-JKSUJKDBSA-N 2 2 322.449 1.899 50 0 DDAALP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000065444403 184346268 /nfs/dbraw/zinc/34/62/68/184346268.db2.gz YUJYLBNROLPDEY-GJZGRUSLSA-N 2 2 305.426 1.541 50 0 DDAALP O=C(c1ccnc(-n2cc[nH+]c2)c1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000069662553 406755591 /nfs/dbraw/zinc/75/55/91/406755591.db2.gz VYVRSMFSZJZRBY-OAHLLOKOSA-N 2 2 322.372 1.941 50 0 DDAALP C[C@@H]1C[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C[C@H](C)O1 ZINC000045617540 407046543 /nfs/dbraw/zinc/04/65/43/407046543.db2.gz BOFKZTMSKKUBGD-UXLLHSPISA-N 2 2 319.449 1.515 50 0 DDAALP C[C@@H]1C[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C[C@H](C)O1 ZINC000045617540 407046545 /nfs/dbraw/zinc/04/65/45/407046545.db2.gz BOFKZTMSKKUBGD-UXLLHSPISA-N 2 2 319.449 1.515 50 0 DDAALP CCCn1nnnc1C[NH+]1CCC(Nc2cccc(C)[nH+]2)CC1 ZINC000077316667 406984658 /nfs/dbraw/zinc/98/46/58/406984658.db2.gz AGGITXNHPYVMGL-UHFFFAOYSA-N 2 2 315.425 1.863 50 0 DDAALP Cc1cc2[nH+]cn(C[C@@H](O)C[NH+]3CCC(O)CC3)c2cc1C ZINC000051590639 407140699 /nfs/dbraw/zinc/14/06/99/407140699.db2.gz SZHBMAKNBHJBJI-HNNXBMFYSA-N 2 2 303.406 1.471 50 0 DDAALP C[N@H+](CC(=O)N1CC[NH+](Cc2ccco2)CC1)[C@@H]1CCSC1 ZINC000089938692 407161111 /nfs/dbraw/zinc/16/11/11/407161111.db2.gz JAARHADRLWCAOI-CQSZACIVSA-N 2 2 323.462 1.361 50 0 DDAALP C[N@@H+](CC(=O)N1CC[NH+](Cc2ccco2)CC1)[C@@H]1CCSC1 ZINC000089938692 407161113 /nfs/dbraw/zinc/16/11/13/407161113.db2.gz JAARHADRLWCAOI-CQSZACIVSA-N 2 2 323.462 1.361 50 0 DDAALP C[N@H+](CC[C@H]1CCCC[NH+]1C)CC(=O)NCc1cccnc1 ZINC000096441540 407266993 /nfs/dbraw/zinc/26/69/93/407266993.db2.gz HXSBFFGKHMMQFR-MRXNPFEDSA-N 2 2 304.438 1.504 50 0 DDAALP C[N@@H+](CC[C@H]1CCCC[NH+]1C)CC(=O)NCc1cccnc1 ZINC000096441540 407266994 /nfs/dbraw/zinc/26/69/94/407266994.db2.gz HXSBFFGKHMMQFR-MRXNPFEDSA-N 2 2 304.438 1.504 50 0 DDAALP C[NH+](CC[C@H]1CCCC[N@@H+]1C)CC(=O)NCc1cccnc1 ZINC000096441540 407266995 /nfs/dbraw/zinc/26/69/95/407266995.db2.gz HXSBFFGKHMMQFR-MRXNPFEDSA-N 2 2 304.438 1.504 50 0 DDAALP C[NH+](CC[C@H]1CCCC[N@H+]1C)CC(=O)NCc1cccnc1 ZINC000096441540 407266996 /nfs/dbraw/zinc/26/69/96/407266996.db2.gz HXSBFFGKHMMQFR-MRXNPFEDSA-N 2 2 304.438 1.504 50 0 DDAALP C[N@H+](Cc1ccncc1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000097113733 407281261 /nfs/dbraw/zinc/28/12/61/407281261.db2.gz ZNXYCONWGUXXGR-UHFFFAOYSA-N 2 2 312.421 1.255 50 0 DDAALP C[N@@H+](Cc1ccncc1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000097113733 407281264 /nfs/dbraw/zinc/28/12/64/407281264.db2.gz ZNXYCONWGUXXGR-UHFFFAOYSA-N 2 2 312.421 1.255 50 0 DDAALP CC[C@H]1CN(c2nc(N(C)C)cc(C)[nH+]2)CC[N@@H+]1C[C@H](C)O ZINC000106906101 407365858 /nfs/dbraw/zinc/36/58/58/407365858.db2.gz YRPCXCIUJZBLCR-KBPBESRZSA-N 2 2 307.442 1.132 50 0 DDAALP CC[C@H]1CN(c2nc(N(C)C)cc(C)[nH+]2)CC[N@H+]1C[C@H](C)O ZINC000106906101 407365860 /nfs/dbraw/zinc/36/58/60/407365860.db2.gz YRPCXCIUJZBLCR-KBPBESRZSA-N 2 2 307.442 1.132 50 0 DDAALP CCOCC[N@@H+]1CCC=C(C[NH+]2CCC[C@@H](NC(C)=O)C2)C1 ZINC000216359728 407495323 /nfs/dbraw/zinc/49/53/23/407495323.db2.gz LFYDOARVBQYEAJ-QGZVFWFLSA-N 2 2 309.454 1.256 50 0 DDAALP CCOCC[N@H+]1CCC=C(C[NH+]2CCC[C@@H](NC(C)=O)C2)C1 ZINC000216359728 407495326 /nfs/dbraw/zinc/49/53/26/407495326.db2.gz LFYDOARVBQYEAJ-QGZVFWFLSA-N 2 2 309.454 1.256 50 0 DDAALP CCOCC[NH+]1CCC=C(C[N@@H+]2CCC[C@@H](NC(C)=O)C2)C1 ZINC000216359728 407495328 /nfs/dbraw/zinc/49/53/28/407495328.db2.gz LFYDOARVBQYEAJ-QGZVFWFLSA-N 2 2 309.454 1.256 50 0 DDAALP CCOCC[NH+]1CCC=C(C[N@H+]2CCC[C@@H](NC(C)=O)C2)C1 ZINC000216359728 407495333 /nfs/dbraw/zinc/49/53/33/407495333.db2.gz LFYDOARVBQYEAJ-QGZVFWFLSA-N 2 2 309.454 1.256 50 0 DDAALP CCc1[nH+]ccn1CC(=O)N1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000219747621 407532673 /nfs/dbraw/zinc/53/26/73/407532673.db2.gz QFPBSYYDBXCMAL-INIZCTEOSA-N 2 2 312.417 1.961 50 0 DDAALP CCc1[nH+]ccn1CC(=O)N1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000219747621 407532676 /nfs/dbraw/zinc/53/26/76/407532676.db2.gz QFPBSYYDBXCMAL-INIZCTEOSA-N 2 2 312.417 1.961 50 0 DDAALP CCc1nc(CNc2cc(C3CC([NH3+])C3)[nH+]c(N)n2)cs1 ZINC000219864392 407534821 /nfs/dbraw/zinc/53/48/21/407534821.db2.gz PUCUQENKEIKVPF-UHFFFAOYSA-N 2 2 304.423 1.895 50 0 DDAALP CC(C)C[N@@H+]1CCO[C@H](C[NH+]2CCC[C@@H](c3cc[nH]n3)C2)C1 ZINC000229748997 407672500 /nfs/dbraw/zinc/67/25/00/407672500.db2.gz FWVCFYHZWSCPQO-HZPDHXFCSA-N 2 2 306.454 1.946 50 0 DDAALP CC(C)C[N@H+]1CCO[C@H](C[NH+]2CCC[C@@H](c3cc[nH]n3)C2)C1 ZINC000229748997 407672504 /nfs/dbraw/zinc/67/25/04/407672504.db2.gz FWVCFYHZWSCPQO-HZPDHXFCSA-N 2 2 306.454 1.946 50 0 DDAALP CC(C)C[NH+]1CCO[C@H](C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)C1 ZINC000229748997 407672510 /nfs/dbraw/zinc/67/25/10/407672510.db2.gz FWVCFYHZWSCPQO-HZPDHXFCSA-N 2 2 306.454 1.946 50 0 DDAALP CC(C)C[NH+]1CCO[C@H](C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)C1 ZINC000229748997 407672514 /nfs/dbraw/zinc/67/25/14/407672514.db2.gz FWVCFYHZWSCPQO-HZPDHXFCSA-N 2 2 306.454 1.946 50 0 DDAALP COCCn1c[nH+]cc1CN1CC[NH+](C2CCSCC2)CC1 ZINC000244647094 407926752 /nfs/dbraw/zinc/92/67/52/407926752.db2.gz GUYLNZJPYISUMN-UHFFFAOYSA-N 2 2 324.494 1.543 50 0 DDAALP COc1cccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)n1 ZINC000191358231 408413032 /nfs/dbraw/zinc/41/30/32/408413032.db2.gz VOWNPFPYOCDORU-IRXDYDNUSA-N 2 2 319.449 1.948 50 0 DDAALP CC[N@@H+]1CCC[C@](O)(C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000046087878 418445764 /nfs/dbraw/zinc/44/57/64/418445764.db2.gz GTOIIZGEQZWFKW-QGZVFWFLSA-N 2 2 304.438 1.050 50 0 DDAALP CC[N@H+]1CCC[C@](O)(C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000046087878 418445767 /nfs/dbraw/zinc/44/57/67/418445767.db2.gz GTOIIZGEQZWFKW-QGZVFWFLSA-N 2 2 304.438 1.050 50 0 DDAALP C[NH+](C)[C@H]1CC[C@@H](NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000408515769 418806049 /nfs/dbraw/zinc/80/60/49/418806049.db2.gz YHSFOYDGVALEQC-KBMXLJTQSA-N 2 2 309.454 1.229 50 0 DDAALP C[NH+](C)[C@H]1CC[C@@H](NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000408515769 418806052 /nfs/dbraw/zinc/80/60/52/418806052.db2.gz YHSFOYDGVALEQC-KBMXLJTQSA-N 2 2 309.454 1.229 50 0 DDAALP Cc1csc(CN(C)c2cc(C3CC([NH3+])C3)[nH+]c(N)n2)n1 ZINC000223598850 568416645 /nfs/dbraw/zinc/41/66/45/568416645.db2.gz TZLFFHCZQIGLDE-UHFFFAOYSA-N 2 2 304.423 1.665 50 0 DDAALP c1nnc(CN2CC[NH+](C[C@@H]3CCC[N@@H+]4CCCC[C@H]34)CC2)[nH]1 ZINC000426489805 699155675 /nfs/dbraw/zinc/15/56/75/699155675.db2.gz VVNMBCDNIZCZIA-JKSUJKDBSA-N 2 2 318.469 1.187 50 0 DDAALP c1nnc(CN2CC[NH+](C[C@@H]3CCC[N@H+]4CCCC[C@H]34)CC2)[nH]1 ZINC000426489805 699155679 /nfs/dbraw/zinc/15/56/79/699155679.db2.gz VVNMBCDNIZCZIA-JKSUJKDBSA-N 2 2 318.469 1.187 50 0 DDAALP c1nc(CN2CC[NH+](C[C@@H]3CCC[N@@H+]4CCCC[C@H]34)CC2)n[nH]1 ZINC000426489805 699155680 /nfs/dbraw/zinc/15/56/80/699155680.db2.gz VVNMBCDNIZCZIA-JKSUJKDBSA-N 2 2 318.469 1.187 50 0 DDAALP c1nc(CN2CC[NH+](C[C@@H]3CCC[N@H+]4CCCC[C@H]34)CC2)n[nH]1 ZINC000426489805 699155683 /nfs/dbraw/zinc/15/56/83/699155683.db2.gz VVNMBCDNIZCZIA-JKSUJKDBSA-N 2 2 318.469 1.187 50 0 DDAALP Cc1ccoc1C(=O)NCC1CC[NH+](CCc2[nH]cc[nH+]2)CC1 ZINC000952990000 721533162 /nfs/dbraw/zinc/53/31/62/721533162.db2.gz TYZABXRXBKHESL-UHFFFAOYSA-N 2 2 316.405 1.996 50 0 DDAALP OC1(C[NH+]2CCOCC2)CCN(c2cc[nH+]c(C3CC3)n2)CC1 ZINC000095468686 185372406 /nfs/dbraw/zinc/37/24/06/185372406.db2.gz MRVDIPRRJMWEFS-UHFFFAOYSA-N 2 2 318.421 1.018 50 0 DDAALP COC(=O)c1cc(C[N@@H+]2CCC[C@](O)(C[NH+](C)C)C2)ccc1O ZINC000072479856 191180485 /nfs/dbraw/zinc/18/04/85/191180485.db2.gz MXICGIAMGLGKDL-KRWDZBQOSA-N 2 2 322.405 1.067 50 0 DDAALP COC(=O)c1cc(C[N@H+]2CCC[C@](O)(C[NH+](C)C)C2)ccc1O ZINC000072479856 191180487 /nfs/dbraw/zinc/18/04/87/191180487.db2.gz MXICGIAMGLGKDL-KRWDZBQOSA-N 2 2 322.405 1.067 50 0 DDAALP C[C@H](C(=O)NC(N)=O)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000072868654 191244409 /nfs/dbraw/zinc/24/44/09/191244409.db2.gz LRQIGJYLPWOGCB-HIFRSBDPSA-N 2 2 318.421 1.024 50 0 DDAALP C[C@H](C(=O)NC(N)=O)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000072868654 191244412 /nfs/dbraw/zinc/24/44/12/191244412.db2.gz LRQIGJYLPWOGCB-HIFRSBDPSA-N 2 2 318.421 1.024 50 0 DDAALP C[C@H](C(=O)NC(N)=O)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000072868654 191244415 /nfs/dbraw/zinc/24/44/15/191244415.db2.gz LRQIGJYLPWOGCB-HIFRSBDPSA-N 2 2 318.421 1.024 50 0 DDAALP C[C@H](C(=O)NC(N)=O)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000072868654 191244416 /nfs/dbraw/zinc/24/44/16/191244416.db2.gz LRQIGJYLPWOGCB-HIFRSBDPSA-N 2 2 318.421 1.024 50 0 DDAALP O=C(N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)[C@@H]1CC[NH2+]C1 ZINC000237773144 202351359 /nfs/dbraw/zinc/35/13/59/202351359.db2.gz PKRXELZFKZXYHU-OLZOCXBDSA-N 2 2 323.387 1.655 50 0 DDAALP O=C(N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)[C@@H]1CC[NH2+]C1 ZINC000237773144 202351361 /nfs/dbraw/zinc/35/13/61/202351361.db2.gz PKRXELZFKZXYHU-OLZOCXBDSA-N 2 2 323.387 1.655 50 0 DDAALP COc1ccc([C@@H]2CN(Cc3c[nH+]c[nH]3)C[C@H]2[NH+](C)C)cc1 ZINC000091452581 193058246 /nfs/dbraw/zinc/05/82/46/193058246.db2.gz RKAFGRJGAHGTFC-DLBZAZTESA-N 2 2 300.406 1.948 50 0 DDAALP COc1ccc([C@@H]2CN(Cc3c[nH]c[nH+]3)C[C@H]2[NH+](C)C)cc1 ZINC000091452581 193058247 /nfs/dbraw/zinc/05/82/47/193058247.db2.gz RKAFGRJGAHGTFC-DLBZAZTESA-N 2 2 300.406 1.948 50 0 DDAALP C[NH+](C)CCn1cc[nH+]c1C1CCN(C(=O)c2ccc[nH]2)CC1 ZINC000091593432 193076865 /nfs/dbraw/zinc/07/68/65/193076865.db2.gz GIBSWEFKXYRFBS-UHFFFAOYSA-N 2 2 315.421 1.793 50 0 DDAALP Cc1cc(C)n(CCN(C)c2cc(C3CC([NH3+])C3)[nH+]c(N)n2)n1 ZINC000219751384 201561711 /nfs/dbraw/zinc/56/17/11/201561711.db2.gz JPYHFRDNFOICFQ-UHFFFAOYSA-N 2 2 315.425 1.213 50 0 DDAALP COc1ccc(C[NH2+]CC[NH2+]CCO)cc1Br ZINC000020967647 182257292 /nfs/dbraw/zinc/25/72/92/182257292.db2.gz RRDVTUDKQBQKSU-UHFFFAOYSA-N 2 2 303.200 1.129 50 0 DDAALP C[C@@H](Cn1cc[nH+]c1)NC(=O)NCc1cc[nH+]c(N(C)C)c1 ZINC000061946669 184197742 /nfs/dbraw/zinc/19/77/42/184197742.db2.gz IJXXLELAWXEXTG-LBPRGKRZSA-N 2 2 302.382 1.232 50 0 DDAALP Cc1cc(C)cc(OC[C@@H](O)C[NH2+]CCCn2cc[nH+]c2)c1 ZINC000012655165 406849210 /nfs/dbraw/zinc/84/92/10/406849210.db2.gz RKXBWBCFXRWBEF-INIZCTEOSA-N 2 2 303.406 1.920 50 0 DDAALP C[C@H](Cn1cc[nH+]c1)NC(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000048313780 407095119 /nfs/dbraw/zinc/09/51/19/407095119.db2.gz LXMRKXXXZJFOCU-TZMCWYRMSA-N 2 2 321.450 1.935 50 0 DDAALP C[C@@H](Cn1cc[nH+]c1)NC(=O)NCc1ccc[nH+]c1N(C)C ZINC000049160187 407116524 /nfs/dbraw/zinc/11/65/24/407116524.db2.gz PCEMQSSQEGCOAW-LBPRGKRZSA-N 2 2 302.382 1.232 50 0 DDAALP COCC[NH+]1CCC(CNc2cc[nH+]c(C(=O)OC)c2)CC1 ZINC000089414509 407133726 /nfs/dbraw/zinc/13/37/26/407133726.db2.gz XKMHSCRGFOVEJY-UHFFFAOYSA-N 2 2 307.394 1.639 50 0 DDAALP Cc1cc2[nH+]cn(C[C@H](O)C[NH+]3CCC(O)CC3)c2cc1C ZINC000051590638 407140691 /nfs/dbraw/zinc/14/06/91/407140691.db2.gz SZHBMAKNBHJBJI-OAHLLOKOSA-N 2 2 303.406 1.471 50 0 DDAALP CCCc1cc(N2CCC([NH2+][C@@H]3CC[NH2+]C3)CC2)nc(C)[nH+]1 ZINC000096141509 407240211 /nfs/dbraw/zinc/24/02/11/407240211.db2.gz QCMOLYADAHDZER-MRXNPFEDSA-N 3 2 303.454 1.658 50 0 DDAALP CC[C@@H]1CN(c2nc(N(C)C)cc(C)[nH+]2)CC[N@@H+]1C[C@H](C)O ZINC000106906100 407365343 /nfs/dbraw/zinc/36/53/43/407365343.db2.gz YRPCXCIUJZBLCR-UONOGXRCSA-N 2 2 307.442 1.132 50 0 DDAALP CC[C@@H]1CN(c2nc(N(C)C)cc(C)[nH+]2)CC[N@H+]1C[C@H](C)O ZINC000106906100 407365345 /nfs/dbraw/zinc/36/53/45/407365345.db2.gz YRPCXCIUJZBLCR-UONOGXRCSA-N 2 2 307.442 1.132 50 0 DDAALP C[NH+]1CCC([N@@H+]2CCC[C@H]2C(=O)NCCc2nccs2)CC1 ZINC000244741831 407934569 /nfs/dbraw/zinc/93/45/69/407934569.db2.gz NXSLBWMRPPQNHC-AWEZNQCLSA-N 2 2 322.478 1.360 50 0 DDAALP C[NH+]1CCC([N@H+]2CCC[C@H]2C(=O)NCCc2nccs2)CC1 ZINC000244741831 407934574 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DDAALP Cc1[nH+]cc(CN2C[C@H](O)[C@@H]([NH+](C)C)C2)n1-c1ccccc1 ZINC000585085485 771934429 /nfs/dbraw/zinc/93/44/29/771934429.db2.gz ZETIEHHADBHEAC-IRXDYDNUSA-N 2 2 300.406 1.287 50 0 DDAALP O=C(C1CC[NH2+]CC1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000004725549 352112759 /nfs/dbraw/zinc/11/27/59/352112759.db2.gz CADVCIJGSAFRPH-QPJJXVBHSA-N 2 2 313.445 1.844 50 0 DDAALP CCC[N@@H+]1CCC[C@@H](c2nnc(C[NH+]3CCC(O)CC3)n2C)C1 ZINC000072480515 191181291 /nfs/dbraw/zinc/18/12/91/191181291.db2.gz MTKHKJJZBIPCLG-CQSZACIVSA-N 2 2 321.469 1.361 50 0 DDAALP CCC[N@H+]1CCC[C@@H](c2nnc(C[NH+]3CCC(O)CC3)n2C)C1 ZINC000072480515 191181295 /nfs/dbraw/zinc/18/12/95/191181295.db2.gz MTKHKJJZBIPCLG-CQSZACIVSA-N 2 2 321.469 1.361 50 0 DDAALP CN1CC[N@H+](C)C[C@@H]1C[NH2+]C1CCN(c2ccc(F)cc2)CC1 ZINC000584887097 354790226 /nfs/dbraw/zinc/79/02/26/354790226.db2.gz NGRSMKOBXJUJCN-SFHVURJKSA-N 2 2 320.456 1.630 50 0 DDAALP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]C1CCN(c2ccc(F)cc2)CC1 ZINC000584887097 354790227 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C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000047028715 407069589 /nfs/dbraw/zinc/06/95/89/407069589.db2.gz RKTVOCANMRPRIQ-CQSZACIVSA-N 2 2 317.393 1.392 50 0 DDAALP O[C@H](COC[C@@H]1CCCO1)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000095972684 407219499 /nfs/dbraw/zinc/21/94/99/407219499.db2.gz MKYOAPVSWLFKHR-KKUMJFAQSA-N 2 2 309.410 1.146 50 0 DDAALP O[C@H](COC[C@@H]1CCCO1)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000095972684 407219502 /nfs/dbraw/zinc/21/95/02/407219502.db2.gz MKYOAPVSWLFKHR-KKUMJFAQSA-N 2 2 309.410 1.146 50 0 DDAALP C[NH+](C)[C@H](C[NH2+]C[C@@H]1CNc2ccnn2C1)Cc1ccccc1 ZINC000058356150 407221060 /nfs/dbraw/zinc/22/10/60/407221060.db2.gz UTTOJRAVZULPKR-SJORKVTESA-N 2 2 313.449 1.687 50 0 DDAALP [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000096162427 407242417 /nfs/dbraw/zinc/24/24/17/407242417.db2.gz MNFHXWZJRBOJCU-ZDUSSCGKSA-N 2 2 309.373 1.346 50 0 DDAALP [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000096162427 407242419 /nfs/dbraw/zinc/24/24/19/407242419.db2.gz MNFHXWZJRBOJCU-ZDUSSCGKSA-N 2 2 309.373 1.346 50 0 DDAALP OC[C@@H]1CCC[N@H+](CC[NH2+]C2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000067773003 407284182 /nfs/dbraw/zinc/28/41/82/407284182.db2.gz PKBJKCIXVMZOPP-MRXNPFEDSA-N 3 2 309.498 1.593 50 0 DDAALP OC[C@@H]1CCC[N@@H+](CC[NH2+]C2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000067773003 407284185 /nfs/dbraw/zinc/28/41/85/407284185.db2.gz PKBJKCIXVMZOPP-MRXNPFEDSA-N 3 2 309.498 1.593 50 0 DDAALP COc1cc[nH+]c(CN2CCC([N@@H+]3CCO[C@H](C)C3)CC2)c1 ZINC000106933685 407368175 /nfs/dbraw/zinc/36/81/75/407368175.db2.gz ULQXBYWOWFFRFE-CQSZACIVSA-N 2 2 305.422 1.775 50 0 DDAALP COc1cc[nH+]c(CN2CCC([N@H+]3CCO[C@H](C)C3)CC2)c1 ZINC000106933685 407368177 /nfs/dbraw/zinc/36/81/77/407368177.db2.gz ULQXBYWOWFFRFE-CQSZACIVSA-N 2 2 305.422 1.775 50 0 DDAALP CN(Cc1cc(C2CC2)n[nH]1)c1cc([C@H]2C[C@H]([NH3+])C2)[nH+]c(N)n1 ZINC000244872977 407941903 /nfs/dbraw/zinc/94/19/03/407941903.db2.gz WHUWSHBIHLHLKE-XYPYZODXSA-N 2 2 313.409 1.500 50 0 DDAALP COc1cccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)n1 ZINC000191358264 408412622 /nfs/dbraw/zinc/41/26/22/408412622.db2.gz VOWNPFPYOCDORU-DLBZAZTESA-N 2 2 319.449 1.948 50 0 DDAALP C[C@H](c1cnccn1)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000184523237 408633884 /nfs/dbraw/zinc/63/38/84/408633884.db2.gz MWRYGCLYXGKSOA-OAHLLOKOSA-N 2 2 314.437 1.831 50 0 DDAALP C[C@H](c1cnccn1)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000184523237 408633890 /nfs/dbraw/zinc/63/38/90/408633890.db2.gz MWRYGCLYXGKSOA-OAHLLOKOSA-N 2 2 314.437 1.831 50 0 DDAALP C[N@@H+]1CCC[C@](O)(C[NH+]2CCN(c3ccccc3F)CC2)C1 ZINC000046087399 418445652 /nfs/dbraw/zinc/44/56/52/418445652.db2.gz VHECUSNXWCEEGB-QGZVFWFLSA-N 2 2 307.413 1.404 50 0 DDAALP C[N@H+]1CCC[C@](O)(C[NH+]2CCN(c3ccccc3F)CC2)C1 ZINC000046087399 418445654 /nfs/dbraw/zinc/44/56/54/418445654.db2.gz VHECUSNXWCEEGB-QGZVFWFLSA-N 2 2 307.413 1.404 50 0 DDAALP COCC[NH+]1CCN(c2cc([C@H]3CCOC3)[nH+]c(C)n2)CC1 ZINC000426369160 419449944 /nfs/dbraw/zinc/44/99/44/419449944.db2.gz INLADSBSFZIDKF-AWEZNQCLSA-N 2 2 306.410 1.057 50 0 DDAALP Cc1ccccc1[C@@H](C(=O)NCCc1[nH+]ccn1C)[NH+](C)C ZINC000220756905 490698326 /nfs/dbraw/zinc/69/83/26/490698326.db2.gz LDIZUZQUUASUHF-INIZCTEOSA-N 2 2 300.406 1.690 50 0 DDAALP C[C@@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)c1ccccn1 ZINC000097015908 185397582 /nfs/dbraw/zinc/39/75/82/185397582.db2.gz OWEJJBBRQPSWIM-CQSZACIVSA-N 2 2 312.421 1.474 50 0 DDAALP CCn1ncc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)n1 ZINC000585087126 539556244 /nfs/dbraw/zinc/55/62/44/539556244.db2.gz POSCPHVBCZLHGK-RHSMWYFYSA-N 2 2 314.437 1.693 50 0 DDAALP CCn1ncc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)n1 ZINC000585087126 539556246 /nfs/dbraw/zinc/55/62/46/539556246.db2.gz POSCPHVBCZLHGK-RHSMWYFYSA-N 2 2 314.437 1.693 50 0 DDAALP COCCn1cc[nH+]c1[C@H]1CCCN(c2cc[nH+]c(N)n2)C1 ZINC000091943304 193130145 /nfs/dbraw/zinc/13/01/45/193130145.db2.gz MRAYTDLEOTXSDU-LBPRGKRZSA-N 2 2 302.382 1.286 50 0 DDAALP CC1CC[NH+](C[C@@H](O)CN2CCc3c([nH+]cn3C3CC3)C2)CC1 ZINC000071877066 406859127 /nfs/dbraw/zinc/85/91/27/406859127.db2.gz PGMSTBSVYYFGHF-MRXNPFEDSA-N 2 2 318.465 1.669 50 0 DDAALP CC(C)[N@H+](C)CC1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000052488281 407151714 /nfs/dbraw/zinc/15/17/14/407151714.db2.gz XROVDWNLJBAVGL-UHFFFAOYSA-N 2 2 302.426 1.920 50 0 DDAALP CC(C)[N@@H+](C)CC1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000052488281 407151715 /nfs/dbraw/zinc/15/17/15/407151715.db2.gz XROVDWNLJBAVGL-UHFFFAOYSA-N 2 2 302.426 1.920 50 0 DDAALP Cc1cc(NC(=O)C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)on1 ZINC000090004056 407164288 /nfs/dbraw/zinc/16/42/88/407164288.db2.gz MADFKTZILOEZPH-CYBMUJFWSA-N 2 2 317.393 1.610 50 0 DDAALP Cc1cc(NC(=O)C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)on1 ZINC000090004056 407164290 /nfs/dbraw/zinc/16/42/90/407164290.db2.gz MADFKTZILOEZPH-CYBMUJFWSA-N 2 2 317.393 1.610 50 0 DDAALP O=C(C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)NCc1cccnc1 ZINC000096441483 407266639 /nfs/dbraw/zinc/26/66/39/407266639.db2.gz UKFQKGHBQUIPJS-KRWDZBQOSA-N 2 2 316.449 1.506 50 0 DDAALP O=C(C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)NCc1cccnc1 ZINC000096441483 407266640 /nfs/dbraw/zinc/26/66/40/407266640.db2.gz UKFQKGHBQUIPJS-KRWDZBQOSA-N 2 2 316.449 1.506 50 0 DDAALP CCNC(=O)NCC1CC[NH+](Cc2[nH]c(CC)[nH+]c2C)CC1 ZINC000067674405 407279834 /nfs/dbraw/zinc/27/98/34/407279834.db2.gz ZQLFARBKKICXHW-UHFFFAOYSA-N 2 2 307.442 1.812 50 0 DDAALP CC(C)[N@@H+]1CCCn2nc(C(=O)NCCc3c[nH+]c[nH]3)cc2C1 ZINC000067954830 407291887 /nfs/dbraw/zinc/29/18/87/407291887.db2.gz NGMVNTCZYVLRNS-UHFFFAOYSA-N 2 2 316.409 1.193 50 0 DDAALP CC(C)[N@H+]1CCCn2nc(C(=O)NCCc3c[nH+]c[nH]3)cc2C1 ZINC000067954830 407291889 /nfs/dbraw/zinc/29/18/89/407291889.db2.gz NGMVNTCZYVLRNS-UHFFFAOYSA-N 2 2 316.409 1.193 50 0 DDAALP CC(C)[N@@H+]1CCCn2nc(C(=O)NCCc3c[nH]c[nH+]3)cc2C1 ZINC000067954830 407291891 /nfs/dbraw/zinc/29/18/91/407291891.db2.gz NGMVNTCZYVLRNS-UHFFFAOYSA-N 2 2 316.409 1.193 50 0 DDAALP CC(C)[N@H+]1CCCn2nc(C(=O)NCCc3c[nH]c[nH+]3)cc2C1 ZINC000067954830 407291892 /nfs/dbraw/zinc/29/18/92/407291892.db2.gz NGMVNTCZYVLRNS-UHFFFAOYSA-N 2 2 316.409 1.193 50 0 DDAALP COCCn1ccnc1C[N@@H+]1CCC[C@H](Cn2cc[nH+]c2)C1 ZINC000214993633 407480302 /nfs/dbraw/zinc/48/03/02/407480302.db2.gz OXMCCRWMFVUQBF-HNNXBMFYSA-N 2 2 303.410 1.638 50 0 DDAALP COCCn1ccnc1C[N@H+]1CCC[C@H](Cn2cc[nH+]c2)C1 ZINC000214993633 407480304 /nfs/dbraw/zinc/48/03/04/407480304.db2.gz OXMCCRWMFVUQBF-HNNXBMFYSA-N 2 2 303.410 1.638 50 0 DDAALP COc1cc[nH+]c(CN(C)Cc2nnc([C@H]3C[C@H]([NH3+])C3)n2C)c1 ZINC000244882427 407945002 /nfs/dbraw/zinc/94/50/02/407945002.db2.gz XRMIMAOVPGYSRU-HAQNSBGRSA-N 2 2 316.409 1.055 50 0 DDAALP CCCCNC(=O)C[NH+]1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000585145910 483924479 /nfs/dbraw/zinc/92/44/79/483924479.db2.gz VJMNHOXRGTXIPA-UHFFFAOYSA-N 2 2 324.513 1.396 50 0 DDAALP C[NH+](C)C[C@@H]1C[N@H+](C)C[C@H]1NC(=O)Cc1ccc(Cl)cc1 ZINC000169790610 697346672 /nfs/dbraw/zinc/34/66/72/697346672.db2.gz YJRCSPUOSGUSQB-UKRRQHHQSA-N 2 2 309.841 1.491 50 0 DDAALP C[NH+](C)C[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)Cc1ccc(Cl)cc1 ZINC000169790610 697346673 /nfs/dbraw/zinc/34/66/73/697346673.db2.gz YJRCSPUOSGUSQB-UKRRQHHQSA-N 2 2 309.841 1.491 50 0 DDAALP [NH3+]Cc1nc(C(=O)NC2CC[NH+](Cc3cccs3)CC2)co1 ZINC000827479867 759342763 /nfs/dbraw/zinc/34/27/63/759342763.db2.gz SFMZNKXMQUVXSF-UHFFFAOYSA-N 2 2 320.418 1.589 50 0 DDAALP Cc1nc2c(c(NCCc3cn4ccccc4[nH+]3)n1)CC[NH2+]CC2 ZINC000072409625 191154582 /nfs/dbraw/zinc/15/45/82/191154582.db2.gz VKUUGVHTIITMAL-UHFFFAOYSA-N 2 2 322.416 1.776 50 0 DDAALP C[N@H+](Cc1ccccc1C[NH+]1CCCC1)C[C@]1(O)CCC[NH2+]C1 ZINC000072475098 191177203 /nfs/dbraw/zinc/17/72/03/191177203.db2.gz REEYNNMGZLGACR-IBGZPJMESA-N 3 2 317.477 1.829 50 0 DDAALP C[N@@H+](Cc1ccccc1C[NH+]1CCCC1)C[C@]1(O)CCC[NH2+]C1 ZINC000072475098 191177206 /nfs/dbraw/zinc/17/72/06/191177206.db2.gz REEYNNMGZLGACR-IBGZPJMESA-N 3 2 317.477 1.829 50 0 DDAALP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1c(C)nn(CCO)c1C)CCC2 ZINC000089702106 353778505 /nfs/dbraw/zinc/77/85/05/353778505.db2.gz DOVDHVNFBGPVHE-HNNXBMFYSA-N 2 2 317.437 1.664 50 0 DDAALP CC(=O)NCC[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000195573658 354298079 /nfs/dbraw/zinc/29/80/79/354298079.db2.gz NNSXNYOLYSQJIW-UHFFFAOYSA-N 2 2 304.438 1.447 50 0 DDAALP C[C@@H](Cn1cccn1)[NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000071877174 406859302 /nfs/dbraw/zinc/85/93/02/406859302.db2.gz IENVCDXVNNQILO-YJBOKZPZSA-N 2 2 314.433 1.280 50 0 DDAALP C[C@@H](Cn1cccn1)[NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000071877174 406859304 /nfs/dbraw/zinc/85/93/04/406859304.db2.gz IENVCDXVNNQILO-YJBOKZPZSA-N 2 2 314.433 1.280 50 0 DDAALP C[C@@H](C(=O)NCc1c[nH+]c(N(C)C)n1C)[NH+]1CCCCCC1 ZINC000096436526 286777796 /nfs/dbraw/zinc/77/77/96/286777796.db2.gz CDHACTXFWALJBJ-ZDUSSCGKSA-N 2 2 307.442 1.367 50 0 DDAALP C[C@@H](Cn1cc[nH+]c1)NC(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000047833225 407082212 /nfs/dbraw/zinc/08/22/12/407082212.db2.gz XEBDNKZENXAJGR-QWHCGFSZSA-N 2 2 321.450 1.935 50 0 DDAALP CCc1c[nH+]c(N)nc1N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000095374718 407211113 /nfs/dbraw/zinc/21/11/13/407211113.db2.gz KXDRKICUACCMMW-UHFFFAOYSA-N 2 2 313.405 1.649 50 0 DDAALP C[C@@H]1C[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C[C@H](C)O1 ZINC000097096317 407279784 /nfs/dbraw/zinc/27/97/84/407279784.db2.gz BOFKZTMSKKUBGD-HLLBOEOZSA-N 2 2 319.449 1.515 50 0 DDAALP C[C@@H]1C[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C[C@H](C)O1 ZINC000097096317 407279786 /nfs/dbraw/zinc/27/97/86/407279786.db2.gz BOFKZTMSKKUBGD-HLLBOEOZSA-N 2 2 319.449 1.515 50 0 DDAALP COCCn1c[nH+]cc1Cn1cc[nH+]c1-c1ccc2nonc2c1 ZINC000067713294 407281706 /nfs/dbraw/zinc/28/17/06/407281706.db2.gz YYJVHMDAYRCQLD-UHFFFAOYSA-N 2 2 324.344 1.978 50 0 DDAALP C[N@H+](CC(=O)NC[C@H]1CCC[NH+](C)C1)Cc1ccccc1F ZINC000067948081 407292062 /nfs/dbraw/zinc/29/20/62/407292062.db2.gz BPSJDYGFGSUTPB-CQSZACIVSA-N 2 2 307.413 1.716 50 0 DDAALP C[N@@H+](CC(=O)NC[C@H]1CCC[NH+](C)C1)Cc1ccccc1F ZINC000067948081 407292064 /nfs/dbraw/zinc/29/20/64/407292064.db2.gz BPSJDYGFGSUTPB-CQSZACIVSA-N 2 2 307.413 1.716 50 0 DDAALP C[NH+](CC(=O)NC[C@H]1CCC[N@H+](C)C1)Cc1ccccc1F ZINC000067948081 407292066 /nfs/dbraw/zinc/29/20/66/407292066.db2.gz BPSJDYGFGSUTPB-CQSZACIVSA-N 2 2 307.413 1.716 50 0 DDAALP C[NH+](CC(=O)NC[C@H]1CCC[N@@H+](C)C1)Cc1ccccc1F ZINC000067948081 407292068 /nfs/dbraw/zinc/29/20/68/407292068.db2.gz BPSJDYGFGSUTPB-CQSZACIVSA-N 2 2 307.413 1.716 50 0 DDAALP O=C(N[C@H]1CCc2[nH+]ccn2C1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000229276672 407658092 /nfs/dbraw/zinc/65/80/92/407658092.db2.gz BAFKIFZWPMYDBT-IRXDYDNUSA-N 2 2 324.428 1.979 50 0 DDAALP O=C(N[C@H]1CCc2[nH+]ccn2C1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000229276672 407658095 /nfs/dbraw/zinc/65/80/95/407658095.db2.gz BAFKIFZWPMYDBT-IRXDYDNUSA-N 2 2 324.428 1.979 50 0 DDAALP Cn1c[nH+]cc1C[NH2+][C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000191765264 408486574 /nfs/dbraw/zinc/48/65/74/408486574.db2.gz XMEDNJLTDXSMTB-OAHLLOKOSA-N 2 2 302.353 1.450 50 0 DDAALP CCOCC1(CNc2cc([C@H]3C[C@@H]([NH3+])C3)[nH+]c(N)n2)CCC1 ZINC000252539220 408804716 /nfs/dbraw/zinc/80/47/16/408804716.db2.gz NWVJNRGZAAGXLQ-TXEJJXNPSA-N 2 2 305.426 1.882 50 0 DDAALP C[C@@H](CNC(=O)NCCCn1cc[nH+]c1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000044946497 418433715 /nfs/dbraw/zinc/43/37/15/418433715.db2.gz FIOZHKOEAHRIJO-RRFJBIMHSA-N 2 2 323.441 1.070 50 0 DDAALP C[N@@H+]1CCc2ncnc(N3CCC([NH+]4CCCC4)CC3)c2C1 ZINC000065474260 277189178 /nfs/dbraw/zinc/18/91/78/277189178.db2.gz DQULKZVVYPVMNL-UHFFFAOYSA-N 2 2 301.438 1.529 50 0 DDAALP C[N@H+]1CCc2ncnc(N3CCC([NH+]4CCCC4)CC3)c2C1 ZINC000065474260 277189179 /nfs/dbraw/zinc/18/91/79/277189179.db2.gz DQULKZVVYPVMNL-UHFFFAOYSA-N 2 2 301.438 1.529 50 0 DDAALP Cc1cc(C(=O)N[C@H]2CCC[N@@H+](C3CC[NH+](C)CC3)C2)nn1C ZINC000011706152 280359131 /nfs/dbraw/zinc/35/91/31/280359131.db2.gz CQMPWFAYCLNMTG-AWEZNQCLSA-N 2 2 319.453 1.017 50 0 DDAALP Cc1cc(C(=O)N[C@H]2CCC[N@H+](C3CC[NH+](C)CC3)C2)nn1C ZINC000011706152 280359132 /nfs/dbraw/zinc/35/91/32/280359132.db2.gz CQMPWFAYCLNMTG-AWEZNQCLSA-N 2 2 319.453 1.017 50 0 DDAALP COCC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCN(CC(F)(F)F)C2)C1 ZINC000088716268 185263154 /nfs/dbraw/zinc/26/31/54/185263154.db2.gz IMLSAMCKOOCULS-QWHCGFSZSA-N 2 2 309.376 1.323 50 0 DDAALP COCC[N@H+]1CCC[C@H]([NH2+][C@@H]2CCN(CC(F)(F)F)C2)C1 ZINC000088716268 185263155 /nfs/dbraw/zinc/26/31/55/185263155.db2.gz IMLSAMCKOOCULS-QWHCGFSZSA-N 2 2 309.376 1.323 50 0 DDAALP CN(C)c1ccc(C[NH+]2CCC([NH+]3CCC(O)CC3)CC2)cn1 ZINC000072429686 191162216 /nfs/dbraw/zinc/16/22/16/191162216.db2.gz CIBQMXCLNDBNPY-UHFFFAOYSA-N 2 2 318.465 1.569 50 0 DDAALP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2c[nH]nc2C)nc[nH+]1 ZINC000105904825 194166238 /nfs/dbraw/zinc/16/62/38/194166238.db2.gz DVDVWXZLSIUWAR-ZDUSSCGKSA-N 2 2 301.398 1.308 50 0 DDAALP C[N@@H+]1CCc2ncnc(N3CC[NH+](Cc4ccco4)CC3)c2C1 ZINC000065487592 184352905 /nfs/dbraw/zinc/35/29/05/184352905.db2.gz CICAWPJFHPLPEW-UHFFFAOYSA-N 2 2 313.405 1.380 50 0 DDAALP C[N@H+]1CCc2ncnc(N3CC[NH+](Cc4ccco4)CC3)c2C1 ZINC000065487592 184352907 /nfs/dbraw/zinc/35/29/07/184352907.db2.gz CICAWPJFHPLPEW-UHFFFAOYSA-N 2 2 313.405 1.380 50 0 DDAALP CCN(CC)c1cc(N2CC([N@@H+]3CCCC[C@@H]3C)C2)nc(N)[nH+]1 ZINC000065504435 184355934 /nfs/dbraw/zinc/35/59/34/184355934.db2.gz NXVGYWMIJAJOFC-ZDUSSCGKSA-N 2 2 318.469 1.968 50 0 DDAALP CCN(CC)c1cc(N2CC([N@H+]3CCCC[C@@H]3C)C2)nc(N)[nH+]1 ZINC000065504435 184355936 /nfs/dbraw/zinc/35/59/36/184355936.db2.gz NXVGYWMIJAJOFC-ZDUSSCGKSA-N 2 2 318.469 1.968 50 0 DDAALP O=C(c1ccc(-n2cc[nH+]c2)nc1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000070020866 406804544 /nfs/dbraw/zinc/80/45/44/406804544.db2.gz KPZQHJHEVBBNNL-OAHLLOKOSA-N 2 2 322.372 1.941 50 0 DDAALP Cc1ccc(C)c(OCCCON2C(=[NH2+])NC(=[NH2+])NC2(C)C)c1 ZINC000075273005 406928959 /nfs/dbraw/zinc/92/89/59/406928959.db2.gz CMOMHIRMXCANBQ-UHFFFAOYSA-N 2 2 319.409 1.685 50 0 DDAALP C[N@@H+]1CCC[C@](O)(CN2CC[NH+](Cc3cccc(F)c3)CC2)C1 ZINC000041124056 407005460 /nfs/dbraw/zinc/00/54/60/407005460.db2.gz FVYUNFXANZJKHN-GOSISDBHSA-N 2 2 321.440 1.400 50 0 DDAALP C[N@H+]1CCC[C@](O)(CN2CC[NH+](Cc3cccc(F)c3)CC2)C1 ZINC000041124056 407005463 /nfs/dbraw/zinc/00/54/63/407005463.db2.gz FVYUNFXANZJKHN-GOSISDBHSA-N 2 2 321.440 1.400 50 0 DDAALP C[N@@H+]1CCC[C@](O)(C[NH+]2CCN(Cc3cccc(F)c3)CC2)C1 ZINC000041124056 407005466 /nfs/dbraw/zinc/00/54/66/407005466.db2.gz FVYUNFXANZJKHN-GOSISDBHSA-N 2 2 321.440 1.400 50 0 DDAALP C[N@H+]1CCC[C@](O)(C[NH+]2CCN(Cc3cccc(F)c3)CC2)C1 ZINC000041124056 407005468 /nfs/dbraw/zinc/00/54/68/407005468.db2.gz FVYUNFXANZJKHN-GOSISDBHSA-N 2 2 321.440 1.400 50 0 DDAALP COCCn1cc(C[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)cn1 ZINC000089702147 407144067 /nfs/dbraw/zinc/14/40/67/407144067.db2.gz NLRAYCSMXYPVCA-OAHLLOKOSA-N 2 2 303.410 1.702 50 0 DDAALP C[N@@H+]1CCCCC[C@@H]1C(=O)N1CCC(O)(Cn2cc[nH+]c2)CC1 ZINC000095369072 407210055 /nfs/dbraw/zinc/21/00/55/407210055.db2.gz LWZWFQHQIBIZBL-OAHLLOKOSA-N 2 2 320.437 1.111 50 0 DDAALP C[N@H+]1CCCCC[C@@H]1C(=O)N1CCC(O)(Cn2cc[nH+]c2)CC1 ZINC000095369072 407210056 /nfs/dbraw/zinc/21/00/56/407210056.db2.gz LWZWFQHQIBIZBL-OAHLLOKOSA-N 2 2 320.437 1.111 50 0 DDAALP Cc1cccc([C@H](C(=O)N2CC[NH+](CCCO)CC2)[NH+](C)C)c1 ZINC000095382903 407212222 /nfs/dbraw/zinc/21/22/22/407212222.db2.gz YANLODKTQAKDKE-QGZVFWFLSA-N 2 2 319.449 1.124 50 0 DDAALP Cc1cccn2c(CC(=O)N3CC[C@]4(C3)CCC[NH2+]C4)c[nH+]c12 ZINC000067677225 407279224 /nfs/dbraw/zinc/27/92/24/407279224.db2.gz WDHDWRVRPRGVIM-GOSISDBHSA-N 2 2 312.417 1.787 50 0 DDAALP Cn1ncc2c1nc[nH+]c2N1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000097200882 407286169 /nfs/dbraw/zinc/28/61/69/407286169.db2.gz ZGOSNDFSRKLYDL-LBPRGKRZSA-N 2 2 309.377 1.697 50 0 DDAALP Cc1c[nH+]c(CC[C@H]2CCCN2C(=O)CCn2cc[nH+]c2)n1C ZINC000257175801 407481472 /nfs/dbraw/zinc/48/14/72/407481472.db2.gz QWCYWRDBCGRLIR-OAHLLOKOSA-N 2 2 315.421 1.939 50 0 DDAALP C[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1n1cc[nH+]c1 ZINC000279838393 409250243 /nfs/dbraw/zinc/25/02/43/409250243.db2.gz JJXGNSOSXPSQBK-HIFRSBDPSA-N 2 2 301.394 1.659 50 0 DDAALP C[C@@H](C(=O)NC(N)=O)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000245446945 222215945 /nfs/dbraw/zinc/21/59/45/222215945.db2.gz LRQIGJYLPWOGCB-DZGCQCFKSA-N 2 2 318.421 1.024 50 0 DDAALP C[C@@H](C(=O)NC(N)=O)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000245446945 222215950 /nfs/dbraw/zinc/21/59/50/222215950.db2.gz LRQIGJYLPWOGCB-DZGCQCFKSA-N 2 2 318.421 1.024 50 0 DDAALP C[C@@H](C(=O)NC(N)=O)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000245446945 222215953 /nfs/dbraw/zinc/21/59/53/222215953.db2.gz LRQIGJYLPWOGCB-DZGCQCFKSA-N 2 2 318.421 1.024 50 0 DDAALP C[C@@H](C(=O)NC(N)=O)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000245446945 222215955 /nfs/dbraw/zinc/21/59/55/222215955.db2.gz LRQIGJYLPWOGCB-DZGCQCFKSA-N 2 2 318.421 1.024 50 0 DDAALP COCCn1c[nH+]cc1CNC(=O)C[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000426492763 419485555 /nfs/dbraw/zinc/48/55/55/419485555.db2.gz HEAILOLIYTXKTQ-OKILXGFUSA-N 2 2 308.426 1.409 50 0 DDAALP COCCn1c[nH+]cc1CNC(=O)C[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000426492763 419485560 /nfs/dbraw/zinc/48/55/60/419485560.db2.gz HEAILOLIYTXKTQ-OKILXGFUSA-N 2 2 308.426 1.409 50 0 DDAALP CCc1nc(N2CC[NH+](C[C@H]3CCC[N@H+](C)C3)CC2)ncc1C ZINC000426652879 419522983 /nfs/dbraw/zinc/52/29/83/419522983.db2.gz KINZHCBVHILPTE-INIZCTEOSA-N 2 2 317.481 1.811 50 0 DDAALP CCc1nc(N2CC[NH+](C[C@H]3CCC[N@@H+](C)C3)CC2)ncc1C ZINC000426652879 419522987 /nfs/dbraw/zinc/52/29/87/419522987.db2.gz KINZHCBVHILPTE-INIZCTEOSA-N 2 2 317.481 1.811 50 0 DDAALP CC[NH+]1CCC(CNC(=O)[C@H]2CC[C@@H](O)CC2)([NH+](C)C)CC1 ZINC000534660284 334315861 /nfs/dbraw/zinc/31/58/61/334315861.db2.gz SMBIDCWHPVEWKM-GASCZTMLSA-N 2 2 311.470 1.070 50 0 DDAALP CC[C@@H]1CN(C(=O)[C@@H](C)n2cc[nH+]c2)C[C@@H]1[NH+]1CCOCC1 ZINC000084735651 484000213 /nfs/dbraw/zinc/00/02/13/484000213.db2.gz BDSHWZZAHMBHBU-KFWWJZLASA-N 2 2 306.410 1.013 50 0 DDAALP Cc1ncc(CO)c(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1O ZINC000670467212 484847012 /nfs/dbraw/zinc/84/70/12/484847012.db2.gz CLAYQFDNFPJQLE-GFCCVEGCSA-N 2 2 302.378 1.691 50 0 DDAALP Cc1ncc(CO)c(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1O ZINC000670467212 484847016 /nfs/dbraw/zinc/84/70/16/484847016.db2.gz CLAYQFDNFPJQLE-GFCCVEGCSA-N 2 2 302.378 1.691 50 0 DDAALP COc1ccc2[nH]c(C[NH2+][C@H](C)CN3CC[NH+](C)CC3)nc2c1 ZINC000067770033 696364135 /nfs/dbraw/zinc/36/41/35/696364135.db2.gz UIVDQTUIJYOSDG-CYBMUJFWSA-N 2 2 317.437 1.297 50 0 DDAALP C[NH+](C)CCn1cc[nH+]c1C1CCN(c2ncccn2)CC1 ZINC000095510903 696603044 /nfs/dbraw/zinc/60/30/44/696603044.db2.gz PAEVQKLTDZJOIB-UHFFFAOYSA-N 2 2 300.410 1.619 50 0 DDAALP Cc1ncn(C)c1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000299783674 698599368 /nfs/dbraw/zinc/59/93/68/698599368.db2.gz XKTCGYFLVLSPKE-UHFFFAOYSA-N 2 2 319.453 1.017 50 0 DDAALP Cc1nn(CCO)cc1C[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000952982978 721532184 /nfs/dbraw/zinc/53/21/84/721532184.db2.gz SXBUNGMYOKIARZ-UHFFFAOYSA-N 2 2 311.389 1.659 50 0 DDAALP O=C(C[NH+]1CCCCCC1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000827939741 759425607 /nfs/dbraw/zinc/42/56/07/759425607.db2.gz ZGIPCEGHDIIKKH-QGZVFWFLSA-N 2 2 323.481 1.576 50 0 DDAALP Cn1c(C[NH+](C)C)nnc1[C@@H]1CCCN(c2cc[nH+]cc2)C1 ZINC000072418942 191157571 /nfs/dbraw/zinc/15/75/71/191157571.db2.gz JRASRLCEWJEELH-CYBMUJFWSA-N 2 2 300.410 1.656 50 0 DDAALP Cc1[nH+]cn(-c2cc(NCCNC(=O)C(C)C)[nH+]cn2)c1C ZINC000072442188 191167015 /nfs/dbraw/zinc/16/70/15/191167015.db2.gz BXLXOHSPPLGTNW-UHFFFAOYSA-N 2 2 302.382 1.463 50 0 DDAALP Cc1nn(C)c2nc[nH+]c(NCC[C@H](C)[NH+]3CCN(C)CC3)c12 ZINC000072474724 191177230 /nfs/dbraw/zinc/17/72/30/191177230.db2.gz FCRNBLNZMCWJHG-LBPRGKRZSA-N 2 2 317.441 1.110 50 0 DDAALP Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@@H]([NH3+])C(C)(C)C)CC1 ZINC000237605201 202301069 /nfs/dbraw/zinc/30/10/69/202301069.db2.gz AGXATSLHDCKOHC-CQSZACIVSA-N 2 2 308.426 1.309 50 0 DDAALP O=C(C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)N1CCOCC1 ZINC000069743782 406766677 /nfs/dbraw/zinc/76/66/77/406766677.db2.gz IWABRECRABNZDW-KRWDZBQOSA-N 2 2 323.481 1.433 50 0 DDAALP O=C(C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)N1CCOCC1 ZINC000069743782 406766682 /nfs/dbraw/zinc/76/66/82/406766682.db2.gz IWABRECRABNZDW-KRWDZBQOSA-N 2 2 323.481 1.433 50 0 DDAALP CCC[N@@H+]1CCC[C@H](Nc2cc(N3CCOCC3)[nH+]c(N)n2)C1 ZINC000065507836 407244486 /nfs/dbraw/zinc/24/44/86/407244486.db2.gz HJZGPKZUMZIYJN-ZDUSSCGKSA-N 2 2 320.441 1.182 50 0 DDAALP CCC[N@H+]1CCC[C@H](Nc2cc(N3CCOCC3)[nH+]c(N)n2)C1 ZINC000065507836 407244489 /nfs/dbraw/zinc/24/44/89/407244489.db2.gz HJZGPKZUMZIYJN-ZDUSSCGKSA-N 2 2 320.441 1.182 50 0 DDAALP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cnc3cnccn23)C1 ZINC000097139241 407282422 /nfs/dbraw/zinc/28/24/22/407282422.db2.gz WNSWVOZXKDOIPD-AWEZNQCLSA-N 2 2 310.405 1.918 50 0 DDAALP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cnc3cnccn23)C1 ZINC000097139241 407282424 /nfs/dbraw/zinc/28/24/24/407282424.db2.gz WNSWVOZXKDOIPD-AWEZNQCLSA-N 2 2 310.405 1.918 50 0 DDAALP CCSc1ncc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)C2)cn1 ZINC000097499634 407298925 /nfs/dbraw/zinc/29/89/25/407298925.db2.gz VGMODHXJSKVRLD-HNNXBMFYSA-N 2 2 321.494 1.410 50 0 DDAALP CCSc1ncc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)C2)cn1 ZINC000097499634 407298926 /nfs/dbraw/zinc/29/89/26/407298926.db2.gz VGMODHXJSKVRLD-HNNXBMFYSA-N 2 2 321.494 1.410 50 0 DDAALP Nc1[nH+]cccc1CNC(=O)C1([NH+]2CCOCC2)CCCCC1 ZINC000222315235 407553262 /nfs/dbraw/zinc/55/32/62/407553262.db2.gz USSDDWXWEARYCJ-UHFFFAOYSA-N 2 2 318.421 1.315 50 0 DDAALP C[C@@H](C(=O)N1CCOCC1)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000222196984 407553285 /nfs/dbraw/zinc/55/32/85/407553285.db2.gz JNBQLXZHEADMFS-GJZGRUSLSA-N 2 2 318.421 1.063 50 0 DDAALP C[C@@H](C(=O)N1CCOCC1)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000222196984 407553290 /nfs/dbraw/zinc/55/32/90/407553290.db2.gz JNBQLXZHEADMFS-GJZGRUSLSA-N 2 2 318.421 1.063 50 0 DDAALP CN(CCCc1[nH+]ccn1C)C(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000244633175 407927977 /nfs/dbraw/zinc/92/79/77/407927977.db2.gz FYHJZVSZGXVRQW-HNNXBMFYSA-N 2 2 300.406 1.381 50 0 DDAALP Cc1[nH]c2ccc(NC(=O)N3CCO[C@@H](CC[NH3+])C3)cc2[nH+]1 ZINC000299785728 410627072 /nfs/dbraw/zinc/62/70/72/410627072.db2.gz NNYWGCJZCHSQIP-LBPRGKRZSA-N 2 2 303.366 1.453 50 0 DDAALP Cc1[nH+]ccn1CCN(C)c1cc([C@H]2CCOC2)[nH+]c(N)n1 ZINC000299790977 410630195 /nfs/dbraw/zinc/63/01/95/410630195.db2.gz DLFPRTLLSOFEHW-LBPRGKRZSA-N 2 2 302.382 1.204 50 0 DDAALP CC[N@@H+]1CCC[C@@](O)(C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000046087880 418445251 /nfs/dbraw/zinc/44/52/51/418445251.db2.gz GTOIIZGEQZWFKW-KRWDZBQOSA-N 2 2 304.438 1.050 50 0 DDAALP CC[N@H+]1CCC[C@@](O)(C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000046087880 418445254 /nfs/dbraw/zinc/44/52/54/418445254.db2.gz GTOIIZGEQZWFKW-KRWDZBQOSA-N 2 2 304.438 1.050 50 0 DDAALP C[C@@H]1C[NH+](CCN(C)CC[N@H+]2C[C@H](C)OC[C@@H]2C)[C@@H](C)CO1 ZINC000108360332 418499727 /nfs/dbraw/zinc/49/97/27/418499727.db2.gz PETNUGAWVIEURH-LUKYLMHMSA-N 2 2 313.486 1.137 50 0 DDAALP C[C@@H]1C[NH+](CCN(C)CC[N@@H+]2C[C@H](C)OC[C@@H]2C)[C@@H](C)CO1 ZINC000108360332 418499730 /nfs/dbraw/zinc/49/97/30/418499730.db2.gz PETNUGAWVIEURH-LUKYLMHMSA-N 2 2 313.486 1.137 50 0 DDAALP C[C@@H]1C[N@@H+](CCN(C)CC[NH+]2C[C@H](C)OC[C@@H]2C)[C@@H](C)CO1 ZINC000108360332 418499733 /nfs/dbraw/zinc/49/97/33/418499733.db2.gz PETNUGAWVIEURH-LUKYLMHMSA-N 2 2 313.486 1.137 50 0 DDAALP C[C@@H]1C[N@H+](CCN(C)CC[NH+]2C[C@H](C)OC[C@@H]2C)[C@@H](C)CO1 ZINC000108360332 418499734 /nfs/dbraw/zinc/49/97/34/418499734.db2.gz PETNUGAWVIEURH-LUKYLMHMSA-N 2 2 313.486 1.137 50 0 DDAALP Cc1cccc(CNC(=O)C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000408513678 418806126 /nfs/dbraw/zinc/80/61/26/418806126.db2.gz SUXXQQHWUWRFAW-INIZCTEOSA-N 2 2 312.417 1.834 50 0 DDAALP Cc1cccc(CNC(=O)C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000408513678 418806129 /nfs/dbraw/zinc/80/61/29/418806129.db2.gz SUXXQQHWUWRFAW-INIZCTEOSA-N 2 2 312.417 1.834 50 0 DDAALP CC(C)[N@@H+]1CCO[C@@H](CC(=O)NCC2(Cn3cc[nH+]c3)CC2)C1 ZINC000534663391 334322831 /nfs/dbraw/zinc/32/28/31/334322831.db2.gz AFEGCTUWPNPIGR-HNNXBMFYSA-N 2 2 320.437 1.279 50 0 DDAALP CC(C)[N@H+]1CCO[C@@H](CC(=O)NCC2(Cn3cc[nH+]c3)CC2)C1 ZINC000534663391 334322832 /nfs/dbraw/zinc/32/28/32/334322832.db2.gz AFEGCTUWPNPIGR-HNNXBMFYSA-N 2 2 320.437 1.279 50 0 DDAALP C[N@@H+]1C[C@@H]2CCC[C@H]1CN(C(=O)C1(Cn3cc[nH+]c3)CC1)C2 ZINC000670472611 484849119 /nfs/dbraw/zinc/84/91/19/484849119.db2.gz USKGGNFCUQJCGI-GJZGRUSLSA-N 2 2 302.422 1.606 50 0 DDAALP C[N@H+]1C[C@@H]2CCC[C@H]1CN(C(=O)C1(Cn3cc[nH+]c3)CC1)C2 ZINC000670472611 484849130 /nfs/dbraw/zinc/84/91/30/484849130.db2.gz USKGGNFCUQJCGI-GJZGRUSLSA-N 2 2 302.422 1.606 50 0 DDAALP CN(C)c1cc(CNC(=O)N(C)CC2([NH+](C)C)CCC2)cc[nH+]1 ZINC000189671565 354285025 /nfs/dbraw/zinc/28/50/25/354285025.db2.gz GJJYNRIVPHYRDH-UHFFFAOYSA-N 2 2 319.453 1.773 50 0 DDAALP CCS(=O)(=O)NC[C@H](C)[NH2+]Cc1ccc2[nH+]c(C)[nH]c2c1 ZINC000584902307 354800483 /nfs/dbraw/zinc/80/04/83/354800483.db2.gz IUZRJDVUBKXLGH-JTQLQIEISA-N 2 2 310.423 1.289 50 0 DDAALP CCS(=O)(=O)NC[C@H](C)[NH2+]Cc1ccc2[nH]c(C)[nH+]c2c1 ZINC000584902307 354800487 /nfs/dbraw/zinc/80/04/87/354800487.db2.gz IUZRJDVUBKXLGH-JTQLQIEISA-N 2 2 310.423 1.289 50 0 DDAALP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000585134133 354811100 /nfs/dbraw/zinc/81/11/00/354811100.db2.gz FSJKAMVKSOEDME-IYBDPMFKSA-N 2 2 310.401 1.543 50 0 DDAALP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000585134133 354811102 /nfs/dbraw/zinc/81/11/02/354811102.db2.gz FSJKAMVKSOEDME-IYBDPMFKSA-N 2 2 310.401 1.543 50 0 DDAALP COc1ccccc1C[NH+]1CCN(C(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC000237165273 202173071 /nfs/dbraw/zinc/17/30/71/202173071.db2.gz GTIBZLLETNFTHY-INIZCTEOSA-N 2 2 305.422 1.323 50 0 DDAALP CCCCn1cc[nH+]c1C1CCN(C(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC000091526614 193069487 /nfs/dbraw/zinc/06/94/87/193069487.db2.gz FUPJFKPJTAINMF-HNNXBMFYSA-N 2 2 320.437 1.378 50 0 DDAALP CC[C@H]1C[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)CCS1 ZINC000093502276 193260015 /nfs/dbraw/zinc/26/00/15/193260015.db2.gz FXEQVMKNFULJKC-HNNXBMFYSA-N 2 2 321.494 1.556 50 0 DDAALP CC[C@H]1C[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)CCS1 ZINC000093502276 193260017 /nfs/dbraw/zinc/26/00/17/193260017.db2.gz FXEQVMKNFULJKC-HNNXBMFYSA-N 2 2 321.494 1.556 50 0 DDAALP Cc1cc(C[N@@H+]2CCCn3c[nH+]cc3C2)c(C)n1-n1cnnc1 ZINC000072137020 406873585 /nfs/dbraw/zinc/87/35/85/406873585.db2.gz KLLVYLUEPPBLNY-UHFFFAOYSA-N 2 2 311.393 1.610 50 0 DDAALP Cc1cc(C[N@H+]2CCCn3c[nH+]cc3C2)c(C)n1-n1cnnc1 ZINC000072137020 406873588 /nfs/dbraw/zinc/87/35/88/406873588.db2.gz KLLVYLUEPPBLNY-UHFFFAOYSA-N 2 2 311.393 1.610 50 0 DDAALP Cc1cn2c([nH+]1)CC[C@H](NC(=O)c1cccc(C[NH+](C)C)c1)C2 ZINC000072294946 406879683 /nfs/dbraw/zinc/87/96/83/406879683.db2.gz MOKORJBOJOLPNE-INIZCTEOSA-N 2 2 312.417 1.998 50 0 DDAALP CSc1nc(N2CCC([NH+]3CCC(O)CC3)CC2)cc(C)[nH+]1 ZINC000077485499 406992132 /nfs/dbraw/zinc/99/21/32/406992132.db2.gz WWQKZWVXZJWSIJ-UHFFFAOYSA-N 2 2 322.478 1.932 50 0 DDAALP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@@H]2CCN(CC(F)(F)F)C2)C1 ZINC000089840208 407152874 /nfs/dbraw/zinc/15/28/74/407152874.db2.gz GNRHGQFNFVUDTO-KGLIPLIRSA-N 2 2 323.403 1.569 50 0 DDAALP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@@H]2CCN(CC(F)(F)F)C2)C1 ZINC000089840208 407152877 /nfs/dbraw/zinc/15/28/77/407152877.db2.gz GNRHGQFNFVUDTO-KGLIPLIRSA-N 2 2 323.403 1.569 50 0 DDAALP C[NH+](C)[C@H](C(=O)NCCC[NH+]1CCOCC1)c1ccc(F)cc1 ZINC000095353662 407207732 /nfs/dbraw/zinc/20/77/32/407207732.db2.gz SZAFQSKGGPDFFT-INIZCTEOSA-N 2 2 323.412 1.267 50 0 DDAALP CC[NH+]1CCC(NC(=O)[C@H]2CCCN(c3cccc[nH+]3)C2)CC1 ZINC000058418439 407220871 /nfs/dbraw/zinc/22/08/71/407220871.db2.gz CYLGVZGRHNCVJU-HNNXBMFYSA-N 2 2 316.449 1.899 50 0 DDAALP [NH3+][C@@H]1CCC[C@H](C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000237888680 407849233 /nfs/dbraw/zinc/84/92/33/407849233.db2.gz GGTGVJWUQYPXQA-ARFHVFGLSA-N 2 2 309.454 1.217 50 0 DDAALP CN(CCCc1[nH+]ccn1C)c1cc([C@H]2C[C@@H](O)C2)[nH+]c(N)n1 ZINC000244874452 407940464 /nfs/dbraw/zinc/94/04/64/407940464.db2.gz XBNATNQDCCNGGM-TXEJJXNPSA-N 2 2 316.409 1.100 50 0 DDAALP CSCc1noc(CNc2cc(C3CC([NH3+])C3)[nH+]c(N)n2)n1 ZINC000219320825 418561021 /nfs/dbraw/zinc/56/10/21/418561021.db2.gz OPVWDJJXZOUWMY-UHFFFAOYSA-N 2 2 321.410 1.122 50 0 DDAALP COc1cc(N2CCC[N@@H+](C3CCCCC3)CC2)nc(N)[nH+]1 ZINC000095497210 274096131 /nfs/dbraw/zinc/09/61/31/274096131.db2.gz DDRPVOJNZWUHFV-UHFFFAOYSA-N 2 2 305.426 1.912 50 0 DDAALP COc1cc(N2CCC[N@H+](C3CCCCC3)CC2)nc(N)[nH+]1 ZINC000095497210 274096135 /nfs/dbraw/zinc/09/61/35/274096135.db2.gz DDRPVOJNZWUHFV-UHFFFAOYSA-N 2 2 305.426 1.912 50 0 DDAALP Cn1ncc2c1nc[nH+]c2N[C@@H]1C[C@@H]([NH+]2CCOCC2)C1(C)C ZINC000585092023 483921042 /nfs/dbraw/zinc/92/10/42/483921042.db2.gz BHLVPRJPFQLEQO-CHWSQXEVSA-N 2 2 316.409 1.275 50 0 DDAALP C[C@H]1C[C@H]([NH2+]Cc2cnc(Br)n2C)CC[N@H+]1C ZINC000585118701 771951955 /nfs/dbraw/zinc/95/19/55/771951955.db2.gz YXQUMXGKJFQMGI-VHSXEESVSA-N 2 2 301.232 1.755 50 0 DDAALP CN1CC[N@H+](C)C[C@H]1CC[NH+](C)Cc1[nH]nc2c1CCCCC2 ZINC000042484226 772748378 /nfs/dbraw/zinc/74/83/78/772748378.db2.gz BEXQGSLPGWOQFR-OAHLLOKOSA-N 2 2 319.497 1.746 50 0 DDAALP CN1CC[N@@H+](C)C[C@H]1CC[NH+](C)Cc1[nH]nc2c1CCCCC2 ZINC000042484226 772748384 /nfs/dbraw/zinc/74/83/84/772748384.db2.gz BEXQGSLPGWOQFR-OAHLLOKOSA-N 2 2 319.497 1.746 50 0 DDAALP CN1CC[NH+](C)C[C@H]1CC[N@H+](C)Cc1[nH]nc2c1CCCCC2 ZINC000042484226 772748386 /nfs/dbraw/zinc/74/83/86/772748386.db2.gz BEXQGSLPGWOQFR-OAHLLOKOSA-N 2 2 319.497 1.746 50 0 DDAALP CN1CC[NH+](C)C[C@H]1CC[N@@H+](C)Cc1[nH]nc2c1CCCCC2 ZINC000042484226 772748391 /nfs/dbraw/zinc/74/83/91/772748391.db2.gz BEXQGSLPGWOQFR-OAHLLOKOSA-N 2 2 319.497 1.746 50 0 DDAALP C[NH+]1CCN(C(=O)C2CCN(c3cc[nH+]cc3Cl)CC2)CC1 ZINC000095408541 185356620 /nfs/dbraw/zinc/35/66/20/185356620.db2.gz FIITUTWCJTXUEH-UHFFFAOYSA-N 2 2 322.840 1.725 50 0 DDAALP C[C@H](C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)[NH+]1CCSCC1 ZINC000095435581 185364627 /nfs/dbraw/zinc/36/46/27/185364627.db2.gz PRSORINBONCPGT-KGLIPLIRSA-N 2 2 320.462 1.214 50 0 DDAALP CCC(=O)N1CCN(c2cc(-n3cc[nH+]c3C)nc[nH+]2)CC1 ZINC000072434170 191164258 /nfs/dbraw/zinc/16/42/58/191164258.db2.gz SMAHVCQZHZIOLH-UHFFFAOYSA-N 2 2 300.366 1.029 50 0 DDAALP Cn1cc[nH+]c1CN1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccn1)C2 ZINC000091769539 193103785 /nfs/dbraw/zinc/10/37/85/193103785.db2.gz WMKAGFUZWKEOOL-DOTOQJQBSA-N 2 2 311.433 1.912 50 0 DDAALP Cn1cc[nH+]c1CN1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccccn1)C2 ZINC000091769539 193103787 /nfs/dbraw/zinc/10/37/87/193103787.db2.gz WMKAGFUZWKEOOL-DOTOQJQBSA-N 2 2 311.433 1.912 50 0 DDAALP CC1CC[NH+](C[C@H](O)C[N@@H+]2CCCC[C@@H]2Cn2cncn2)CC1 ZINC000069815086 406776574 /nfs/dbraw/zinc/77/65/74/406776574.db2.gz HURUJZCQMFELOI-SJORKVTESA-N 2 2 321.469 1.225 50 0 DDAALP CC1CC[NH+](C[C@H](O)C[N@H+]2CCCC[C@@H]2Cn2cncn2)CC1 ZINC000069815086 406776575 /nfs/dbraw/zinc/77/65/75/406776575.db2.gz HURUJZCQMFELOI-SJORKVTESA-N 2 2 321.469 1.225 50 0 DDAALP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCC[C@H](O)C3)c2cc1C ZINC000051091050 407136122 /nfs/dbraw/zinc/13/61/22/407136122.db2.gz JELKTQZQPVMUHF-GJZGRUSLSA-N 2 2 303.406 1.471 50 0 DDAALP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCC[C@H](O)C3)c2cc1C ZINC000051091050 407136124 /nfs/dbraw/zinc/13/61/24/407136124.db2.gz JELKTQZQPVMUHF-GJZGRUSLSA-N 2 2 303.406 1.471 50 0 DDAALP Cc1[nH+]c2ccccc2n1CC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000055673654 407205759 /nfs/dbraw/zinc/20/57/59/407205759.db2.gz VOYZXOZQGUXKAK-UHFFFAOYSA-N 2 2 312.417 1.899 50 0 DDAALP c1cc(C[NH2+][C@H]2CCSC2)cc(OCC[NH+]2CCOCC2)c1 ZINC000095967459 407218803 /nfs/dbraw/zinc/21/88/03/407218803.db2.gz SGXJPJAMZKEDOZ-INIZCTEOSA-N 2 2 322.474 1.993 50 0 DDAALP C[NH+]1CCC([N@H+](CCO)Cc2ccc(Br)o2)CC1 ZINC000191150726 408379251 /nfs/dbraw/zinc/37/92/51/408379251.db2.gz IYYNOCPWIWFDGS-UHFFFAOYSA-N 2 2 317.227 1.931 50 0 DDAALP C[NH+]1CCC([N@@H+](CCO)Cc2ccc(Br)o2)CC1 ZINC000191150726 408379255 /nfs/dbraw/zinc/37/92/55/408379255.db2.gz IYYNOCPWIWFDGS-UHFFFAOYSA-N 2 2 317.227 1.931 50 0 DDAALP C[N@H+](CC(=O)NCc1cc(C(C)(C)C)n[nH]1)C1CC[NH2+]CC1 ZINC000299776627 410619714 /nfs/dbraw/zinc/61/97/14/410619714.db2.gz BBDRJDXRPIERBO-UHFFFAOYSA-N 2 2 307.442 1.007 50 0 DDAALP C[N@@H+](CC(=O)NCc1cc(C(C)(C)C)n[nH]1)C1CC[NH2+]CC1 ZINC000299776627 410619718 /nfs/dbraw/zinc/61/97/18/410619718.db2.gz BBDRJDXRPIERBO-UHFFFAOYSA-N 2 2 307.442 1.007 50 0 DDAALP O=C(C[C@H]1CC[NH2+]C1)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000130654178 196098420 /nfs/dbraw/zinc/09/84/20/196098420.db2.gz WPZDLRYMJRHVAK-CQSZACIVSA-N 2 2 303.406 1.036 50 0 DDAALP O=C(NC1CC[NH+](C2CC2)CC1)c1ccnc(-n2cc[nH+]c2)c1 ZINC000048246002 418467335 /nfs/dbraw/zinc/46/73/35/418467335.db2.gz YDURIWBQKAQQPD-UHFFFAOYSA-N 2 2 311.389 1.624 50 0 DDAALP Cn1c[nH+]cc1-c1cccc(C(=O)N(CCO)CC[NH+](C)C)c1 ZINC000426473007 419475636 /nfs/dbraw/zinc/47/56/36/419475636.db2.gz WWXSYMVBUYNTIU-UHFFFAOYSA-N 2 2 316.405 1.083 50 0 DDAALP c1ccc([C@@H](C[NH2+][C@@H]2C[NH+]3CCC2CC3)N2CCOCC2)cc1 ZINC000096013554 304855351 /nfs/dbraw/zinc/85/53/51/304855351.db2.gz QDDHRSHRUMNLHN-RTBURBONSA-N 2 2 315.461 1.744 50 0 DDAALP O[C@]1(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CCSC1 ZINC000195556449 325714466 /nfs/dbraw/zinc/71/44/66/325714466.db2.gz SHGCXERDCRXNHE-LBPRGKRZSA-N 2 2 312.401 1.861 50 0 DDAALP C[C@@](O)(C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1)C(F)(F)F ZINC000253396507 186304572 /nfs/dbraw/zinc/30/45/72/186304572.db2.gz IIRHUJZVOHJTSX-CHWSQXEVSA-N 2 2 310.360 1.344 50 0 DDAALP C[C@@](O)(C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1)C(F)(F)F ZINC000253396507 186304574 /nfs/dbraw/zinc/30/45/74/186304574.db2.gz IIRHUJZVOHJTSX-CHWSQXEVSA-N 2 2 310.360 1.344 50 0 DDAALP C[N@@H+]1CC[C@H]([NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCO3)C1 ZINC000075584159 353369621 /nfs/dbraw/zinc/36/96/21/353369621.db2.gz LDLOYZRQPLTBGF-ZDUSSCGKSA-N 2 2 300.362 1.599 50 0 DDAALP C[N@H+]1CC[C@H]([NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCO3)C1 ZINC000075584159 353369625 /nfs/dbraw/zinc/36/96/25/353369625.db2.gz LDLOYZRQPLTBGF-ZDUSSCGKSA-N 2 2 300.362 1.599 50 0 DDAALP COCC[N@@H+]1CCN(Cc2c[nH+]c3ccc(C)cn23)C[C@H]1C ZINC000120860481 354014972 /nfs/dbraw/zinc/01/49/72/354014972.db2.gz ABVMRBUGAKNQER-OAHLLOKOSA-N 2 2 302.422 1.795 50 0 DDAALP COCC[N@H+]1CCN(Cc2c[nH+]c3ccc(C)cn23)C[C@H]1C ZINC000120860481 354014973 /nfs/dbraw/zinc/01/49/73/354014973.db2.gz ABVMRBUGAKNQER-OAHLLOKOSA-N 2 2 302.422 1.795 50 0 DDAALP CC[N@@H+]1CCc2ncnc(N3CC[NH+]4CCCC[C@H]4C3)c2C1 ZINC000249697038 354379973 /nfs/dbraw/zinc/37/99/73/354379973.db2.gz UBNIVIYCFSNYER-AWEZNQCLSA-N 2 2 301.438 1.529 50 0 DDAALP CC[N@H+]1CCc2ncnc(N3CC[NH+]4CCCC[C@H]4C3)c2C1 ZINC000249697038 354379976 /nfs/dbraw/zinc/37/99/76/354379976.db2.gz UBNIVIYCFSNYER-AWEZNQCLSA-N 2 2 301.438 1.529 50 0 DDAALP CC[NH+]1CCc2ncnc(N3CC[N@@H+]4CCCC[C@H]4C3)c2C1 ZINC000249697038 354379979 /nfs/dbraw/zinc/37/99/79/354379979.db2.gz UBNIVIYCFSNYER-AWEZNQCLSA-N 2 2 301.438 1.529 50 0 DDAALP CC[NH+]1CCc2ncnc(N3CC[N@H+]4CCCC[C@H]4C3)c2C1 ZINC000249697038 354379981 /nfs/dbraw/zinc/37/99/81/354379981.db2.gz UBNIVIYCFSNYER-AWEZNQCLSA-N 2 2 301.438 1.529 50 0 DDAALP CCn1cc[nH+]c1[C@H]1CCC[N@H+](CCCn2nnnc2C)C1 ZINC000091364621 193046565 /nfs/dbraw/zinc/04/65/65/193046565.db2.gz CYIZKQNNQWOAPL-AWEZNQCLSA-N 2 2 303.414 1.468 50 0 DDAALP CCn1cc[nH+]c1[C@H]1CCC[N@@H+](CCCn2nnnc2C)C1 ZINC000091364621 193046567 /nfs/dbraw/zinc/04/65/67/193046567.db2.gz CYIZKQNNQWOAPL-AWEZNQCLSA-N 2 2 303.414 1.468 50 0 DDAALP CC(C)n1cc[nH+]c1C1CCN(c2cc(N)[nH+]c(N)n2)CC1 ZINC000091548364 193071968 /nfs/dbraw/zinc/07/19/68/193071968.db2.gz VBUGJBDCJSFERL-UHFFFAOYSA-N 2 2 301.398 1.802 50 0 DDAALP CC(C)n1cc[nH+]c1C1CCN(c2cc(N)nc(N)[nH+]2)CC1 ZINC000091548364 193071969 /nfs/dbraw/zinc/07/19/69/193071969.db2.gz VBUGJBDCJSFERL-UHFFFAOYSA-N 2 2 301.398 1.802 50 0 DDAALP CCc1cc(N2CC[C@@]3(O)CC[N@@H+](CC)C[C@H]3C2)nc(C)[nH+]1 ZINC000091486516 193063014 /nfs/dbraw/zinc/06/30/14/193063014.db2.gz BLPQYJBPBIGGPB-YOEHRIQHSA-N 2 2 304.438 1.630 50 0 DDAALP CCc1cc(N2CC[C@@]3(O)CC[N@H+](CC)C[C@H]3C2)nc(C)[nH+]1 ZINC000091486516 193063016 /nfs/dbraw/zinc/06/30/16/193063016.db2.gz BLPQYJBPBIGGPB-YOEHRIQHSA-N 2 2 304.438 1.630 50 0 DDAALP CCOc1cc(C[NH2+]CCC[NH+]2CCOCC2)ccc1OC ZINC000020028156 182181496 /nfs/dbraw/zinc/18/14/96/182181496.db2.gz GFVBRIDHKLOPFA-UHFFFAOYSA-N 2 2 308.422 1.906 50 0 DDAALP OCC[NH2+]CC[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000023468984 182361649 /nfs/dbraw/zinc/36/16/49/182361649.db2.gz QHGWCWIBVWKTSP-UHFFFAOYSA-N 2 2 300.402 1.937 50 0 DDAALP CC1CC[NH+](C[C@@H](O)C[N@@H+]2CCC[C@@H]2c2cnn(C)c2)CC1 ZINC000069668379 406755191 /nfs/dbraw/zinc/75/51/91/406755191.db2.gz ITLMIAZDZAMXGN-IAGOWNOFSA-N 2 2 306.454 1.650 50 0 DDAALP CC1CC[NH+](C[C@@H](O)C[N@H+]2CCC[C@@H]2c2cnn(C)c2)CC1 ZINC000069668379 406755198 /nfs/dbraw/zinc/75/51/98/406755198.db2.gz ITLMIAZDZAMXGN-IAGOWNOFSA-N 2 2 306.454 1.650 50 0 DDAALP Cc1[nH+]cn(-c2cc(NCCNC(=O)CC(C)C)[nH+]cn2)c1C ZINC000072437071 406883571 /nfs/dbraw/zinc/88/35/71/406883571.db2.gz IUXUYRPLRCUPAF-UHFFFAOYSA-N 2 2 316.409 1.853 50 0 DDAALP Cc1[nH+]cc(C[NH2+][C@H]2CC(=O)N(C3Cc4ccccc4C3)C2)n1C ZINC000012317504 406841316 /nfs/dbraw/zinc/84/13/16/406841316.db2.gz NINCONPZQGFQEA-INIZCTEOSA-N 2 2 324.428 1.586 50 0 DDAALP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000078875763 407048049 /nfs/dbraw/zinc/04/80/49/407048049.db2.gz MYJVNAMMRLHPNZ-NVXWUHKLSA-N 2 2 317.433 1.098 50 0 DDAALP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000078875763 407048054 /nfs/dbraw/zinc/04/80/54/407048054.db2.gz MYJVNAMMRLHPNZ-NVXWUHKLSA-N 2 2 317.433 1.098 50 0 DDAALP C[N@@H+]1CCC2(C1)CCN(c1cc(N3CCOCC3)[nH+]cn1)CC2 ZINC000065431736 407242951 /nfs/dbraw/zinc/24/29/51/407242951.db2.gz UQFCWHFARUTUBJ-UHFFFAOYSA-N 2 2 317.437 1.235 50 0 DDAALP C[N@H+]1CCC2(C1)CCN(c1cc(N3CCOCC3)[nH+]cn1)CC2 ZINC000065431736 407242952 /nfs/dbraw/zinc/24/29/52/407242952.db2.gz UQFCWHFARUTUBJ-UHFFFAOYSA-N 2 2 317.437 1.235 50 0 DDAALP C[N@@H+]1CCC2(C1)CCN(c1cc(N3CCOCC3)nc[nH+]1)CC2 ZINC000065431736 407242954 /nfs/dbraw/zinc/24/29/54/407242954.db2.gz UQFCWHFARUTUBJ-UHFFFAOYSA-N 2 2 317.437 1.235 50 0 DDAALP C[N@H+]1CCC2(C1)CCN(c1cc(N3CCOCC3)nc[nH+]1)CC2 ZINC000065431736 407242956 /nfs/dbraw/zinc/24/29/56/407242956.db2.gz UQFCWHFARUTUBJ-UHFFFAOYSA-N 2 2 317.437 1.235 50 0 DDAALP C[NH+]1CCC(Nc2ccc[nH+]c2N2CCC(CO)CC2)CC1 ZINC000097038746 407276446 /nfs/dbraw/zinc/27/64/46/407276446.db2.gz ULLQUWRFQYEZBD-UHFFFAOYSA-N 2 2 304.438 1.796 50 0 DDAALP COC(=O)c1cc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c[nH]1 ZINC000097236847 407289106 /nfs/dbraw/zinc/28/91/06/407289106.db2.gz DTKQWYOLFMSFCU-CYBMUJFWSA-N 2 2 316.405 1.990 50 0 DDAALP COC(=O)c1cc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c[nH]1 ZINC000097236847 407289108 /nfs/dbraw/zinc/28/91/08/407289108.db2.gz DTKQWYOLFMSFCU-CYBMUJFWSA-N 2 2 316.405 1.990 50 0 DDAALP CC1(C)CC(Nc2cc(C3CC([NH3+])C3)[nH+]c(N)n2)CC(C)(C)[NH2+]1 ZINC000223726471 407571793 /nfs/dbraw/zinc/57/17/93/407571793.db2.gz TZOHDMDFMWOWGT-UHFFFAOYSA-N 3 2 318.469 1.985 50 0 DDAALP COCCCC1CCN(c2cc(C3CC([NH3+])C3)[nH+]c(N)n2)CC1 ZINC000220382832 407541501 /nfs/dbraw/zinc/54/15/01/407541501.db2.gz BTSSAYVOTADCFM-UHFFFAOYSA-N 2 2 319.453 1.907 50 0 DDAALP CC1(C)CN(C(=O)[C@@H]2COCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000236637866 407737216 /nfs/dbraw/zinc/73/72/16/407737216.db2.gz PNNZGIYFONRFNI-INIZCTEOSA-N 2 2 317.433 1.098 50 0 DDAALP CC1(C)CN(C(=O)[C@@H]2COCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000236637866 407737219 /nfs/dbraw/zinc/73/72/19/407737219.db2.gz PNNZGIYFONRFNI-INIZCTEOSA-N 2 2 317.433 1.098 50 0 DDAALP CNC(=O)[C@@H]1C[C@@H]([NH3+])C[N@@H+]1CC(c1ccccc1)c1ccccc1 ZINC000299777767 410619958 /nfs/dbraw/zinc/61/99/58/410619958.db2.gz FQTOFHSUTJFKMB-MJGOQNOKSA-N 2 2 323.440 1.966 50 0 DDAALP CNC(=O)[C@@H]1C[C@@H]([NH3+])C[N@H+]1CC(c1ccccc1)c1ccccc1 ZINC000299777767 410619962 /nfs/dbraw/zinc/61/99/62/410619962.db2.gz FQTOFHSUTJFKMB-MJGOQNOKSA-N 2 2 323.440 1.966 50 0 DDAALP Cc1c[nH]c([C@@H](C)NC(=O)c2ccc(OCCC[NH3+])cc2)[nH+]1 ZINC000299797357 410635350 /nfs/dbraw/zinc/63/53/50/410635350.db2.gz NSOFSPBVZRACRG-GFCCVEGCSA-N 2 2 302.378 1.937 50 0 DDAALP C[NH+](C)C[C@]1(O)CCN(C(=O)c2cccc(-c3[nH]cc[nH+]3)c2)C1 ZINC000072156190 191059938 /nfs/dbraw/zinc/05/99/38/191059938.db2.gz GONNOJWDUOVXSM-QGZVFWFLSA-N 2 2 314.389 1.215 50 0 DDAALP OC[C@H]1CCCN1c1cc(N2CC[C@H]([NH+]3CCCC3)C2)nc[nH+]1 ZINC000072276265 191098241 /nfs/dbraw/zinc/09/82/41/191098241.db2.gz IKLDRJATFVFKNK-LSDHHAIUSA-N 2 2 317.437 1.112 50 0 DDAALP COc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCC[NH2+]3)CC2)cc1F ZINC000237300150 202224021 /nfs/dbraw/zinc/22/40/21/202224021.db2.gz DKYLAQZHJYXDPI-HNNXBMFYSA-N 2 2 321.396 1.231 50 0 DDAALP Cc1cc(N)nc(SCCCN2CC[NH+](C(C)C)CC2)[nH+]1 ZINC000188264145 200219035 /nfs/dbraw/zinc/21/90/35/200219035.db2.gz RNPOSORZCBRSAO-UHFFFAOYSA-N 2 2 309.483 1.875 50 0 DDAALP CNC(=O)NC(=O)C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000069563904 406733627 /nfs/dbraw/zinc/73/36/27/406733627.db2.gz JYVHXAJCBGBSRU-CQSZACIVSA-N 2 2 310.442 1.030 50 0 DDAALP CNC(=O)NC(=O)C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000069563904 406733630 /nfs/dbraw/zinc/73/36/30/406733630.db2.gz JYVHXAJCBGBSRU-CQSZACIVSA-N 2 2 310.442 1.030 50 0 DDAALP C[C@@H](C(=O)Nc1ncccn1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000069508973 406726355 /nfs/dbraw/zinc/72/63/55/406726355.db2.gz QXDITYSGOXYZMT-AWEZNQCLSA-N 2 2 317.437 1.611 50 0 DDAALP CC(C)CC(=O)C(=O)N1CCC[C@H]([N@H+](C)CCC[NH+](C)C)C1 ZINC000011708783 406830629 /nfs/dbraw/zinc/83/06/29/406830629.db2.gz RNMGZFORACVBPZ-HNNXBMFYSA-N 2 2 311.470 1.476 50 0 DDAALP CC(C)CC(=O)C(=O)N1CCC[C@H]([N@@H+](C)CCC[NH+](C)C)C1 ZINC000011708783 406830633 /nfs/dbraw/zinc/83/06/33/406830633.db2.gz RNMGZFORACVBPZ-HNNXBMFYSA-N 2 2 311.470 1.476 50 0 DDAALP [NH3+]CC1([NH+]2CCC(O)(C(F)(F)F)CC2)Cc2ccccc2C1 ZINC000035287539 406970610 /nfs/dbraw/zinc/97/06/10/406970610.db2.gz KDVFGKNQZHIJNR-UHFFFAOYSA-N 2 2 314.351 1.872 50 0 DDAALP CCc1cc(N2CC[C@H](N3CC[NH+](CC)CC3)C2)nc(C)[nH+]1 ZINC000253425724 407445742 /nfs/dbraw/zinc/44/57/42/407445742.db2.gz CHOXNAJZSKWMTE-INIZCTEOSA-N 2 2 303.454 1.564 50 0 DDAALP COCCC1CCN(c2cc(C3CC([NH3+])C3)[nH+]c(N)n2)CC1 ZINC000222464334 407557435 /nfs/dbraw/zinc/55/74/35/407557435.db2.gz WEQSJHYOSHPUSG-UHFFFAOYSA-N 2 2 305.426 1.516 50 0 DDAALP C[C@@H]1C[NH+](CCN(C)CC[N@H+]2C[C@H](C)OC[C@H]2C)[C@@H](C)CO1 ZINC000108360330 418499226 /nfs/dbraw/zinc/49/92/26/418499226.db2.gz PETNUGAWVIEURH-ZYGGUILKSA-N 2 2 313.486 1.137 50 0 DDAALP C[C@@H]1C[NH+](CCN(C)CC[N@@H+]2C[C@H](C)OC[C@H]2C)[C@@H](C)CO1 ZINC000108360330 418499229 /nfs/dbraw/zinc/49/92/29/418499229.db2.gz PETNUGAWVIEURH-ZYGGUILKSA-N 2 2 313.486 1.137 50 0 DDAALP C[C@@H]1C[N@@H+](CCN(C)CC[NH+]2C[C@H](C)OC[C@H]2C)[C@@H](C)CO1 ZINC000108360330 418499233 /nfs/dbraw/zinc/49/92/33/418499233.db2.gz PETNUGAWVIEURH-ZYGGUILKSA-N 2 2 313.486 1.137 50 0 DDAALP C[C@@H]1C[N@H+](CCN(C)CC[NH+]2C[C@H](C)OC[C@H]2C)[C@@H](C)CO1 ZINC000108360330 418499235 /nfs/dbraw/zinc/49/92/35/418499235.db2.gz PETNUGAWVIEURH-ZYGGUILKSA-N 2 2 313.486 1.137 50 0 DDAALP Cc1cc(CNC(=O)Cc2ccc(OCC[NH3+])cc2)c[nH+]c1C ZINC000426478192 419482976 /nfs/dbraw/zinc/48/29/76/419482976.db2.gz WDTRWZONRHPYBI-UHFFFAOYSA-N 2 2 313.401 1.895 50 0 DDAALP Cc1nc(NCCCC[NH+]2CCCC2)cc([C@H]2CCOC2)[nH+]1 ZINC000426612688 419518089 /nfs/dbraw/zinc/51/80/89/419518089.db2.gz WBJSAZVKVCPNCI-HNNXBMFYSA-N 2 2 304.438 2.577 50 0 DDAALP Cc1ccc(OC2C[NH+]([C@@H](C)CN3CC[NH+](C)CC3)C2)cc1 ZINC000670450669 484837078 /nfs/dbraw/zinc/83/70/78/484837078.db2.gz OTEDAVWERVSQFE-INIZCTEOSA-N 2 2 303.450 1.694 50 0 DDAALP C[NH+]1CCN(CC2(CNC(=O)[C@H]3CCCCC[N@@H+]3C)CC2)CC1 ZINC000952979643 721531406 /nfs/dbraw/zinc/53/14/06/721531406.db2.gz QTHYHFMTCHSBJC-MRXNPFEDSA-N 2 2 322.497 1.005 50 0 DDAALP C[NH+]1CCN(CC2(CNC(=O)[C@H]3CCCCC[N@H+]3C)CC2)CC1 ZINC000952979643 721531408 /nfs/dbraw/zinc/53/14/08/721531408.db2.gz QTHYHFMTCHSBJC-MRXNPFEDSA-N 2 2 322.497 1.005 50 0 DDAALP C[C@H]1C[C@@H]([NH2+]Cc2cnc(Br)n2C)CC[N@@H+]1C ZINC000585118700 739380069 /nfs/dbraw/zinc/38/00/69/739380069.db2.gz YXQUMXGKJFQMGI-UWVGGRQHSA-N 2 2 301.232 1.755 50 0 DDAALP C[C@H]1C[C@@H]([NH2+]Cc2cnc(Br)n2C)CC[N@H+]1C ZINC000585118700 739380072 /nfs/dbraw/zinc/38/00/72/739380072.db2.gz YXQUMXGKJFQMGI-UWVGGRQHSA-N 2 2 301.232 1.755 50 0 DDAALP CCn1cc[nH+]c1CNC(=O)[C@H](C(C)C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000331332457 529577016 /nfs/dbraw/zinc/57/70/16/529577016.db2.gz PASXVSHDGLSCCM-FMKPAKJESA-N 2 2 322.453 1.653 50 0 DDAALP C[N@H+](Cc1cc2n(n1)CCC[NH2+]C2)Cc1ccc2nccnc2c1 ZINC000072139162 191047521 /nfs/dbraw/zinc/04/75/21/191047521.db2.gz SWJFITCCHSKZTB-UHFFFAOYSA-N 2 2 322.416 1.952 50 0 DDAALP C[N@@H+](Cc1cc2n(n1)CCC[NH2+]C2)Cc1ccc2nccnc2c1 ZINC000072139162 191047523 /nfs/dbraw/zinc/04/75/23/191047523.db2.gz SWJFITCCHSKZTB-UHFFFAOYSA-N 2 2 322.416 1.952 50 0 DDAALP O=C(NCCc1c[nH+]c[nH]1)c1ccc(C[C@@H]2CCC[NH2+]C2)cc1 ZINC000072155893 191058780 /nfs/dbraw/zinc/05/87/80/191058780.db2.gz VYFVMJLBVRNROK-HNNXBMFYSA-N 2 2 312.417 1.924 50 0 DDAALP O=C(NCCc1c[nH]c[nH+]1)c1ccc(C[C@@H]2CCC[NH2+]C2)cc1 ZINC000072155893 191058783 /nfs/dbraw/zinc/05/87/83/191058783.db2.gz VYFVMJLBVRNROK-HNNXBMFYSA-N 2 2 312.417 1.924 50 0 DDAALP OCc1ccc(C[N@H+]2C[C@@H](C[NH+]3CCCC3)C[C@H](CO)C2)o1 ZINC000091526619 193069265 /nfs/dbraw/zinc/06/92/65/193069265.db2.gz WFOXSWJYWHDIQI-CABCVRRESA-N 2 2 308.422 1.298 50 0 DDAALP OCc1ccc(C[N@@H+]2C[C@@H](C[NH+]3CCCC3)C[C@H](CO)C2)o1 ZINC000091526619 193069267 /nfs/dbraw/zinc/06/92/67/193069267.db2.gz WFOXSWJYWHDIQI-CABCVRRESA-N 2 2 308.422 1.298 50 0 DDAALP CCCCn1cc[nH+]c1C1CCN(C(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000091526615 193069440 /nfs/dbraw/zinc/06/94/40/193069440.db2.gz FUPJFKPJTAINMF-OAHLLOKOSA-N 2 2 320.437 1.378 50 0 DDAALP COCCn1cc[nH+]c1[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC000091494108 193063723 /nfs/dbraw/zinc/06/37/23/193063723.db2.gz HEMRUQMNPCVOKB-HNNXBMFYSA-N 2 2 320.437 1.331 50 0 DDAALP CC[C@@H]1C[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)CCS1 ZINC000093502275 193260031 /nfs/dbraw/zinc/26/00/31/193260031.db2.gz FXEQVMKNFULJKC-OAHLLOKOSA-N 2 2 321.494 1.556 50 0 DDAALP CC[C@@H]1C[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)CCS1 ZINC000093502275 193260033 /nfs/dbraw/zinc/26/00/33/193260033.db2.gz FXEQVMKNFULJKC-OAHLLOKOSA-N 2 2 321.494 1.556 50 0 DDAALP Cn1cc(Cl)c(C[NH+]2CCC(Cn3cc(C[NH3+])nn3)CC2)n1 ZINC000023541783 182363345 /nfs/dbraw/zinc/36/33/45/182363345.db2.gz LWISWFBTALJKEB-UHFFFAOYSA-N 2 2 323.832 1.036 50 0 DDAALP Cc1c[nH+]ccc1N1CCCN(c2cc(N(C)C)[nH+]cn2)CC1 ZINC000065383480 184332639 /nfs/dbraw/zinc/33/26/39/184332639.db2.gz VANQLFLDTYZHHU-UHFFFAOYSA-N 2 2 312.421 1.963 50 0 DDAALP Cc1c[nH+]ccc1N1CCCN(c2cc(N(C)C)nc[nH+]2)CC1 ZINC000065383480 184332641 /nfs/dbraw/zinc/33/26/41/184332641.db2.gz VANQLFLDTYZHHU-UHFFFAOYSA-N 2 2 312.421 1.963 50 0 DDAALP C[NH+](C)CCCC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000072301604 406880485 /nfs/dbraw/zinc/88/04/85/406880485.db2.gz XOHPTWBZVBWMDM-UHFFFAOYSA-N 2 2 300.406 1.889 50 0 DDAALP O=C(Cn1cc[nH+]c1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000029594344 406925094 /nfs/dbraw/zinc/92/50/94/406925094.db2.gz OZSUCMHCJCSABT-UHFFFAOYSA-N 2 2 306.410 1.034 50 0 DDAALP CC(C)[NH+]1CCC(CC(=O)N(CCO)Cc2[nH+]ccn2C)CC1 ZINC000095377272 407210767 /nfs/dbraw/zinc/21/07/67/407210767.db2.gz SGOUGAVEEJGOBD-UHFFFAOYSA-N 2 2 322.453 1.252 50 0 DDAALP C[C@@H]1CC[N@H+](CC(=O)Nc2nncs2)C[C@@H]1n1cc[nH+]c1 ZINC000095981714 407220286 /nfs/dbraw/zinc/22/02/86/407220286.db2.gz ANBDWCPULNXNDH-MNOVXSKESA-N 2 2 306.395 1.256 50 0 DDAALP C[C@@H]1CC[N@@H+](CC(=O)Nc2nncs2)C[C@@H]1n1cc[nH+]c1 ZINC000095981714 407220288 /nfs/dbraw/zinc/22/02/88/407220288.db2.gz ANBDWCPULNXNDH-MNOVXSKESA-N 2 2 306.395 1.256 50 0 DDAALP Cc1cn2c([nH+]1)CC[C@@H](NC(=O)C1CC[NH+](CC(C)C)CC1)C2 ZINC000097199256 407287072 /nfs/dbraw/zinc/28/70/72/407287072.db2.gz VWFZIEFSKMUZSQ-MRXNPFEDSA-N 2 2 318.465 1.991 50 0 DDAALP COc1cc(F)c(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)cc1OC ZINC000097744829 407302326 /nfs/dbraw/zinc/30/23/26/407302326.db2.gz PBMQQMKVQLSJQT-AWEZNQCLSA-N 2 2 323.412 1.322 50 0 DDAALP Cc1ccc(CC2(NC(=O)C[N@@H+](C)C3CC[NH2+]CC3)CC2)cc1 ZINC000216285669 407494185 /nfs/dbraw/zinc/49/41/85/407494185.db2.gz JAVVKTPFEUKROR-UHFFFAOYSA-N 2 2 315.461 1.870 50 0 DDAALP Cc1ccc(CC2(NC(=O)C[N@H+](C)C3CC[NH2+]CC3)CC2)cc1 ZINC000216285669 407494191 /nfs/dbraw/zinc/49/41/91/407494191.db2.gz JAVVKTPFEUKROR-UHFFFAOYSA-N 2 2 315.461 1.870 50 0 DDAALP Nc1nc(NCc2cn3c(n2)SCC3)cc(C2CC([NH3+])C2)[nH+]1 ZINC000219871022 407535822 /nfs/dbraw/zinc/53/58/22/407535822.db2.gz OMBOBIVZFYQJNQ-UHFFFAOYSA-N 2 2 317.422 1.178 50 0 DDAALP CC[C@H]1CN(S(=O)(=O)C(C)C)CC[C@H]1[NH2+]Cc1c[nH+]c[nH]1 ZINC000241367980 407909151 /nfs/dbraw/zinc/90/91/51/407909151.db2.gz MIZSNKODKAZPEO-GXTWGEPZSA-N 2 2 314.455 1.338 50 0 DDAALP C[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)Cc1cn2ccccc2[nH+]1 ZINC000248081276 408533928 /nfs/dbraw/zinc/53/39/28/408533928.db2.gz AKDMZVRXJPFSBN-JKSUJKDBSA-N 2 2 312.417 1.962 50 0 DDAALP C[N@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)Cc1cn2ccccc2[nH+]1 ZINC000248081276 408533934 /nfs/dbraw/zinc/53/39/34/408533934.db2.gz AKDMZVRXJPFSBN-JKSUJKDBSA-N 2 2 312.417 1.962 50 0 DDAALP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000065444406 289754760 /nfs/dbraw/zinc/75/47/60/289754760.db2.gz YUJYLBNROLPDEY-CABCVRRESA-N 2 2 305.426 1.541 50 0 DDAALP CSCC[C@H]([NH3+])C(=O)N(C)Cc1c(C)[nH+]c2ccccn21 ZINC000299762077 334258043 /nfs/dbraw/zinc/25/80/43/334258043.db2.gz VNFMGJYUPQXGMV-LBPRGKRZSA-N 2 2 306.435 1.682 50 0 DDAALP CCS(=O)(=O)NC[C@@H](C)[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000534636301 334309388 /nfs/dbraw/zinc/30/93/88/334309388.db2.gz HJLZRRQPFGYKQK-GFCCVEGCSA-N 2 2 310.423 1.060 50 0 DDAALP Cc1c[nH]c(CNC(=O)c2ccc(N3CC[NH+](C)CC3)cc2)[nH+]1 ZINC000216087389 539264430 /nfs/dbraw/zinc/26/44/30/539264430.db2.gz QWRIJZGKKFILSJ-UHFFFAOYSA-N 2 2 313.405 1.400 50 0 DDAALP CCC[NH+]1CCN(C2CC[NH+](Cc3ncc(C)o3)CC2)CC1 ZINC000095404861 185355385 /nfs/dbraw/zinc/35/53/85/185355385.db2.gz RNHUFSWHVZWXIS-UHFFFAOYSA-N 2 2 306.454 1.975 50 0 DDAALP Cc1cc[nH+]c(N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)c1 ZINC000253393918 186304319 /nfs/dbraw/zinc/30/43/19/186304319.db2.gz HFWBZVGGUPRRBS-KRWDZBQOSA-N 2 2 318.465 1.621 50 0 DDAALP Cc1cc[nH+]c(N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)c1 ZINC000253393918 186304320 /nfs/dbraw/zinc/30/43/20/186304320.db2.gz HFWBZVGGUPRRBS-KRWDZBQOSA-N 2 2 318.465 1.621 50 0 DDAALP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000237433550 202264405 /nfs/dbraw/zinc/26/44/05/202264405.db2.gz QIKMHGHUFYVMPC-HLLBOEOZSA-N 2 2 316.449 1.804 50 0 DDAALP [NH3+][C@@H]1CCC[C@@H](C(=O)N2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000237862773 202371581 /nfs/dbraw/zinc/37/15/81/202371581.db2.gz DUMNYMUUVZWWFT-HUUCEWRRSA-N 2 2 302.422 1.243 50 0 DDAALP C[N@H+](CC(=O)N1CC[NH+](CCc2ccccc2)CC1)C1CC1 ZINC000058015403 184067144 /nfs/dbraw/zinc/06/71/44/184067144.db2.gz XVTPOMIBGKMQIG-UHFFFAOYSA-N 2 2 301.434 1.468 50 0 DDAALP C[N@@H+](CC(=O)N1CC[NH+](CCc2ccccc2)CC1)C1CC1 ZINC000058015403 184067146 /nfs/dbraw/zinc/06/71/46/184067146.db2.gz XVTPOMIBGKMQIG-UHFFFAOYSA-N 2 2 301.434 1.468 50 0 DDAALP Cc1cc(C)cc(OC[C@H](O)C[NH2+]CCCn2cc[nH+]c2)c1 ZINC000012655169 406849587 /nfs/dbraw/zinc/84/95/87/406849587.db2.gz RKXBWBCFXRWBEF-MRXNPFEDSA-N 2 2 303.406 1.920 50 0 DDAALP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)/C=C/c1ccncc1 ZINC000071904003 406864898 /nfs/dbraw/zinc/86/48/98/406864898.db2.gz WNHHQRLAWGNBCA-SNAWJCMRSA-N 2 2 316.449 1.579 50 0 DDAALP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)/C=C/c1ccncc1 ZINC000071904003 406864902 /nfs/dbraw/zinc/86/49/02/406864902.db2.gz WNHHQRLAWGNBCA-SNAWJCMRSA-N 2 2 316.449 1.579 50 0 DDAALP CCCn1cc[nH+]c1Cn1ccnc1-c1cc2n(n1)CC[NH2+]C2 ZINC000072408629 406881777 /nfs/dbraw/zinc/88/17/77/406881777.db2.gz IJHUJZNHSLHQQD-UHFFFAOYSA-N 2 2 311.393 1.505 50 0 DDAALP Cc1cc(N2CC[N@@H+](C)[C@H](CCO)C2)nc(N2CCCCC2)[nH+]1 ZINC000039551842 407002213 /nfs/dbraw/zinc/00/22/13/407002213.db2.gz PEMYSMYEIJNGKN-OAHLLOKOSA-N 2 2 319.453 1.278 50 0 DDAALP Cc1cc(N2CC[N@H+](C)[C@H](CCO)C2)nc(N2CCCCC2)[nH+]1 ZINC000039551842 407002216 /nfs/dbraw/zinc/00/22/16/407002216.db2.gz PEMYSMYEIJNGKN-OAHLLOKOSA-N 2 2 319.453 1.278 50 0 DDAALP O=C(C[N@@H+]1CCc2sccc2C1)NCCCn1cc[nH+]c1 ZINC000079351814 407054026 /nfs/dbraw/zinc/05/40/26/407054026.db2.gz SPIWBEMNRVNJLD-UHFFFAOYSA-N 2 2 304.419 1.509 50 0 DDAALP O=C(C[N@H+]1CCc2sccc2C1)NCCCn1cc[nH+]c1 ZINC000079351814 407054029 /nfs/dbraw/zinc/05/40/29/407054029.db2.gz SPIWBEMNRVNJLD-UHFFFAOYSA-N 2 2 304.419 1.509 50 0 DDAALP CNC(=O)COc1ccccc1C[NH2+]C[C@H](C)Cn1cc[nH+]c1 ZINC000062254242 407230076 /nfs/dbraw/zinc/23/00/76/407230076.db2.gz XODCCDQYVKHOFP-AWEZNQCLSA-N 2 2 316.405 1.434 50 0 DDAALP Cc1c[nH+]c(NC2CC[NH+](C[C@@H]3CCCO3)CC2)nc1N(C)C ZINC000065419358 407242816 /nfs/dbraw/zinc/24/28/16/407242816.db2.gz RYQLGQGROUBRNV-HNNXBMFYSA-N 2 2 319.453 1.906 50 0 DDAALP CCCc1cc(N2CC[NH+](Cc3cncnc3)CC2)nc(C)[nH+]1 ZINC000065505860 407244441 /nfs/dbraw/zinc/24/44/41/407244441.db2.gz YVMFYNHNQUXSEQ-UHFFFAOYSA-N 2 2 312.421 1.850 50 0 DDAALP COc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cn1 ZINC000131637820 196186455 /nfs/dbraw/zinc/18/64/55/196186455.db2.gz XQLRFZSIBKNIPY-INIZCTEOSA-N 2 2 305.422 1.634 50 0 DDAALP COc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cn1 ZINC000131637820 196186457 /nfs/dbraw/zinc/18/64/57/196186457.db2.gz XQLRFZSIBKNIPY-INIZCTEOSA-N 2 2 305.422 1.634 50 0 DDAALP COCC[NH+]1[C@H](C)CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H]1C ZINC000239782416 222210829 /nfs/dbraw/zinc/21/08/29/222210829.db2.gz COJADGMKOZRYQN-KFWWJZLASA-N 2 2 320.437 1.013 50 0 DDAALP CNC(=O)[C@H](C)Cn1cc[nH+]c1-c1cccc(C[NH+](C)C)c1 ZINC000082098526 290598533 /nfs/dbraw/zinc/59/85/33/290598533.db2.gz JEHCTRVKLNQDBG-CYBMUJFWSA-N 2 2 300.406 1.994 50 0 DDAALP C[C@@H]1C[C@@H]([NH2+]Cc2cnc(Br)n2C)CC[N@H+]1C ZINC000585118702 771951793 /nfs/dbraw/zinc/95/17/93/771951793.db2.gz YXQUMXGKJFQMGI-ZJUUUORDSA-N 2 2 301.232 1.755 50 0 DDAALP Cc1ccc(N2CCC[C@@H](c3[nH+]ccn3CC[NH+](C)C)C2)nn1 ZINC000095392891 185351707 /nfs/dbraw/zinc/35/17/07/185351707.db2.gz PURLFWZWOHGTLN-OAHLLOKOSA-N 2 2 314.437 1.927 50 0 DDAALP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H](C)C[C@H]1CCC(=O)N1 ZINC000319571175 354522485 /nfs/dbraw/zinc/52/24/85/354522485.db2.gz SYUUQNBAMYIJNB-GXTWGEPZSA-N 2 2 300.406 1.992 50 0 DDAALP Cc1c(C)n(CCC[NH+](C)C)c2nc[nH+]c(NCC[NH+](C)C)c12 ZINC000005345184 181232550 /nfs/dbraw/zinc/23/25/50/181232550.db2.gz QCDHKISVNNZLLS-UHFFFAOYSA-N 3 2 318.469 1.973 50 0 DDAALP COc1ccc([C@@H]2CN(Cc3[nH+]ccn3C)C[C@H]2[NH+](C)C)cc1 ZINC000091416622 193053182 /nfs/dbraw/zinc/05/31/82/193053182.db2.gz VXWGYUUHNHGPFP-DLBZAZTESA-N 2 2 314.433 1.958 50 0 DDAALP CCc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](O)C2)o1 ZINC000019743853 182141881 /nfs/dbraw/zinc/14/18/81/182141881.db2.gz VSQOJJOOIJSCJF-IAGOWNOFSA-N 2 2 307.438 1.025 50 0 DDAALP CCc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](O)C2)o1 ZINC000019743853 182141882 /nfs/dbraw/zinc/14/18/82/182141882.db2.gz VSQOJJOOIJSCJF-IAGOWNOFSA-N 2 2 307.438 1.025 50 0 DDAALP CC[NH+](CC)CCNC[C@H]1c2cc(O)c(OC)cc2CC[N@H+]1C ZINC000022026997 182304476 /nfs/dbraw/zinc/30/44/76/182304476.db2.gz RIEVIAZFKJDEBZ-INIZCTEOSA-N 2 2 321.465 1.861 50 0 DDAALP CC[NH+](CC)CCNC[C@H]1c2cc(O)c(OC)cc2CC[N@@H+]1C ZINC000022026997 182304478 /nfs/dbraw/zinc/30/44/78/182304478.db2.gz RIEVIAZFKJDEBZ-INIZCTEOSA-N 2 2 321.465 1.861 50 0 DDAALP C[C@H]1C[N@H+](C[C@@H](O)c2ccccc2)CCN1Cc1[nH+]ccn1C ZINC000229367925 257260309 /nfs/dbraw/zinc/26/03/09/257260309.db2.gz IAVWJPCIVUYSCI-DOTOQJQBSA-N 2 2 314.433 1.660 50 0 DDAALP C[C@H]1C[N@@H+](C[C@@H](O)c2ccccc2)CCN1Cc1[nH+]ccn1C ZINC000229367925 257260310 /nfs/dbraw/zinc/26/03/10/257260310.db2.gz IAVWJPCIVUYSCI-DOTOQJQBSA-N 2 2 314.433 1.660 50 0 DDAALP O=C(Cc1cn2ccccc2[nH+]1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000069657292 406752355 /nfs/dbraw/zinc/75/23/55/406752355.db2.gz BGYALLWLZLJFDC-HNNXBMFYSA-N 2 2 309.373 1.937 50 0 DDAALP O=C(CC[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)N1CCOCC1 ZINC000097200701 407286358 /nfs/dbraw/zinc/28/63/58/407286358.db2.gz CFVMOURAOJXEHC-HNNXBMFYSA-N 2 2 318.421 1.064 50 0 DDAALP O=C(CC[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)N1CCOCC1 ZINC000097200701 407286359 /nfs/dbraw/zinc/28/63/59/407286359.db2.gz CFVMOURAOJXEHC-HNNXBMFYSA-N 2 2 318.421 1.064 50 0 DDAALP C[N@@H+]1CCCN(C(=O)c2cnc(C[NH+]3CCCC3)s2)CC1 ZINC000097766186 407302157 /nfs/dbraw/zinc/30/21/57/407302157.db2.gz OSZCITOYOOGDKQ-UHFFFAOYSA-N 2 2 308.451 1.517 50 0 DDAALP C[N@H+]1CCCN(C(=O)c2cnc(C[NH+]3CCCC3)s2)CC1 ZINC000097766186 407302158 /nfs/dbraw/zinc/30/21/58/407302158.db2.gz OSZCITOYOOGDKQ-UHFFFAOYSA-N 2 2 308.451 1.517 50 0 DDAALP CN(C)c1nc(N2CC[NH+](C[C@@H]3CCC=CO3)CC2)cc[nH+]1 ZINC000170607074 407452034 /nfs/dbraw/zinc/45/20/34/407452034.db2.gz VDZURSDIICISOB-AWEZNQCLSA-N 2 2 303.410 1.357 50 0 DDAALP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCC[C@@H](O)C3)c2cc1C ZINC000229234119 407657584 /nfs/dbraw/zinc/65/75/84/407657584.db2.gz JELKTQZQPVMUHF-CABCVRRESA-N 2 2 303.406 1.471 50 0 DDAALP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCC[C@@H](O)C3)c2cc1C ZINC000229234119 407657591 /nfs/dbraw/zinc/65/75/91/407657591.db2.gz JELKTQZQPVMUHF-CABCVRRESA-N 2 2 303.406 1.471 50 0 DDAALP CC1(C)CN(C(=O)[C@H]2COCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000236640075 407739013 /nfs/dbraw/zinc/73/90/13/407739013.db2.gz PNNZGIYFONRFNI-MRXNPFEDSA-N 2 2 317.433 1.098 50 0 DDAALP CC1(C)CN(C(=O)[C@H]2COCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000236640075 407739016 /nfs/dbraw/zinc/73/90/16/407739016.db2.gz PNNZGIYFONRFNI-MRXNPFEDSA-N 2 2 317.433 1.098 50 0 DDAALP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@@H](O)Cn2cccn2)C1 ZINC000247373071 408459504 /nfs/dbraw/zinc/45/95/04/408459504.db2.gz UYIZPMCCBHYZEC-LSDHHAIUSA-N 2 2 303.410 1.340 50 0 DDAALP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@@H](O)Cn2cccn2)C1 ZINC000247373071 408459510 /nfs/dbraw/zinc/45/95/10/408459510.db2.gz UYIZPMCCBHYZEC-LSDHHAIUSA-N 2 2 303.410 1.340 50 0 DDAALP CC[NH+](CC)CC(=O)N1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000270584711 408589899 /nfs/dbraw/zinc/58/98/99/408589899.db2.gz RBGAYRGEBJZGEZ-UHFFFAOYSA-N 2 2 315.421 1.553 50 0 DDAALP Cc1ccc(C(=O)N(C)Cc2[nH]cc[nH+]2)cc1OCCC[NH3+] ZINC000299772059 410616650 /nfs/dbraw/zinc/61/66/50/410616650.db2.gz YPRCPZFCRDVLDH-UHFFFAOYSA-N 2 2 302.378 1.718 50 0 DDAALP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)[C@H]2CCC[C@H]2[NH3+])CC1 ZINC000408525462 418808615 /nfs/dbraw/zinc/80/86/15/418808615.db2.gz SXVVNGRDEWXJPN-VNQPRFMTSA-N 2 2 302.422 1.414 50 0 DDAALP CNc1cc(N2CCC[C@H](C[NH2+]CCn3cccn3)C2)nc[nH+]1 ZINC000069846050 277302055 /nfs/dbraw/zinc/30/20/55/277302055.db2.gz UZNOAQQKKYPTRB-CQSZACIVSA-N 2 2 315.425 1.221 50 0 DDAALP CNc1cc(N2CCC[C@H](C[NH2+]CCn3cccn3)C2)[nH+]cn1 ZINC000069846050 277302056 /nfs/dbraw/zinc/30/20/56/277302056.db2.gz UZNOAQQKKYPTRB-CQSZACIVSA-N 2 2 315.425 1.221 50 0 DDAALP CC[N@@H+]1CCC[C@@](O)(CN2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000041124081 279315524 /nfs/dbraw/zinc/31/55/24/279315524.db2.gz OKPRGRXPZNXPPI-SFHVURJKSA-N 2 2 318.465 1.046 50 0 DDAALP CC[N@H+]1CCC[C@@](O)(CN2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000041124081 279315525 /nfs/dbraw/zinc/31/55/25/279315525.db2.gz OKPRGRXPZNXPPI-SFHVURJKSA-N 2 2 318.465 1.046 50 0 DDAALP CN(C)C(=O)C[NH+]1CCC([NH2+]Cc2ccccc2Cl)CC1 ZINC000037198918 332270816 /nfs/dbraw/zinc/27/08/16/332270816.db2.gz NJPDSNXJRPYBFO-UHFFFAOYSA-N 2 2 309.841 1.982 50 0 DDAALP CCN(CC)C(=O)C[NH+]1CCC(Nc2cc(C)[nH+]c(C)n2)CC1 ZINC000585092097 483920048 /nfs/dbraw/zinc/92/00/48/483920048.db2.gz FCYSCRUNKKDVQU-UHFFFAOYSA-N 2 2 319.453 1.838 50 0 DDAALP Cc1nc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)n(C)c1C ZINC000670473343 484850891 /nfs/dbraw/zinc/85/08/91/484850891.db2.gz WWCADLRDCPHMEO-UHFFFAOYSA-N 2 2 306.454 1.581 50 0 DDAALP Cc1cccc([C@H](C(=O)NCC[NH+]2CCC(O)CC2)[NH+](C)C)c1 ZINC000095389457 185351335 /nfs/dbraw/zinc/35/13/35/185351335.db2.gz AUEHAYAUMLVXHD-QGZVFWFLSA-N 2 2 319.449 1.171 50 0 DDAALP C[NH+]1CCC([NH+]2CCC(CNc3cc[nH+]cc3F)CC2)CC1 ZINC000584885875 354789759 /nfs/dbraw/zinc/78/97/59/354789759.db2.gz PZCIAXOIMIAFQT-UHFFFAOYSA-N 3 2 306.429 1.861 50 0 DDAALP C[NH+]1CCC([NH+]2CCC(CNc3ccncc3F)CC2)CC1 ZINC000584885875 354789761 /nfs/dbraw/zinc/78/97/61/354789761.db2.gz PZCIAXOIMIAFQT-UHFFFAOYSA-N 2 2 306.429 1.861 50 0 DDAALP C[N@H+](Cc1cn(C[C@@H]2CCC[NH2+]C2)nn1)Cc1cccc(O)c1 ZINC000023506457 182362354 /nfs/dbraw/zinc/36/23/54/182362354.db2.gz IFIOCFGIWFENMB-OAHLLOKOSA-N 2 2 315.421 1.615 50 0 DDAALP C[N@@H+](Cc1cn(C[C@@H]2CCC[NH2+]C2)nn1)Cc1cccc(O)c1 ZINC000023506457 182362356 /nfs/dbraw/zinc/36/23/56/182362356.db2.gz IFIOCFGIWFENMB-OAHLLOKOSA-N 2 2 315.421 1.615 50 0 DDAALP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](CC(=O)Nc3ccon3)C2)c1 ZINC000065443910 184346022 /nfs/dbraw/zinc/34/60/22/184346022.db2.gz RHGSHNJIGXIHQA-ZDUSSCGKSA-N 2 2 315.377 1.751 50 0 DDAALP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](CC(=O)Nc3ccon3)C2)c1 ZINC000065443910 184346023 /nfs/dbraw/zinc/34/60/23/184346023.db2.gz RHGSHNJIGXIHQA-ZDUSSCGKSA-N 2 2 315.377 1.751 50 0 DDAALP Cc1nnc2n1C[C@H]([NH2+]Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC000065552907 184365425 /nfs/dbraw/zinc/36/54/25/184365425.db2.gz WEYDRPRJKBDQIG-OAHLLOKOSA-N 2 2 308.389 1.877 50 0 DDAALP Cc1cc(NC(=O)NCC(C)(C)[NH+]2CCC([NH+](C)C)CC2)no1 ZINC000069033610 406677780 /nfs/dbraw/zinc/67/77/80/406677780.db2.gz IWCYODNGUYONDF-UHFFFAOYSA-N 2 2 323.441 1.909 50 0 DDAALP [NH3+][C@@H](Cc1ccccc1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000011754308 406830849 /nfs/dbraw/zinc/83/08/49/406830849.db2.gz OZYCLHNIDOOQBJ-INIZCTEOSA-N 2 2 310.401 1.300 50 0 DDAALP COC(=O)[C@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@@H](C)O1 ZINC000089496937 407137662 /nfs/dbraw/zinc/13/76/62/407137662.db2.gz PYDDNDQTUYTNBI-CZUORRHYSA-N 2 2 315.373 1.635 50 0 DDAALP COC(=O)[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@@H](C)O1 ZINC000089496937 407137665 /nfs/dbraw/zinc/13/76/65/407137665.db2.gz PYDDNDQTUYTNBI-CZUORRHYSA-N 2 2 315.373 1.635 50 0 DDAALP CCc1[nH+]ccn1CCC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000067650463 407278217 /nfs/dbraw/zinc/27/82/17/407278217.db2.gz XOBKXKHDFQJBRM-UHFFFAOYSA-N 2 2 324.388 1.733 50 0 DDAALP [NH3+][C@@H]1CCN(Cc2cccc(OCCCn3cc[nH+]c3)c2)C1 ZINC000216243301 407495925 /nfs/dbraw/zinc/49/59/25/407495925.db2.gz FZVAVIAGNVFSDV-MRXNPFEDSA-N 2 2 300.406 1.885 50 0 DDAALP Cn1c(C[N@H+](C)CCc2ccccn2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000244723767 407936071 /nfs/dbraw/zinc/93/60/71/407936071.db2.gz MGXPTCSGFCXBJL-BETUJISGSA-N 2 2 300.410 1.089 50 0 DDAALP Cn1c(C[N@@H+](C)CCc2ccccn2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000244723767 407936074 /nfs/dbraw/zinc/93/60/74/407936074.db2.gz MGXPTCSGFCXBJL-BETUJISGSA-N 2 2 300.410 1.089 50 0 DDAALP Cc1csc([C@H](C)CNC(=O)C[N@H+](C)C2CC[NH2+]CC2)n1 ZINC000299765413 410612547 /nfs/dbraw/zinc/61/25/47/410612547.db2.gz AQNHMGOFORBXLE-LLVKDONJSA-N 2 2 310.467 1.355 50 0 DDAALP Cc1csc([C@H](C)CNC(=O)C[N@@H+](C)C2CC[NH2+]CC2)n1 ZINC000299765413 410612551 /nfs/dbraw/zinc/61/25/51/410612551.db2.gz AQNHMGOFORBXLE-LLVKDONJSA-N 2 2 310.467 1.355 50 0 DDAALP c1cc(OCC[NH+]2CCOCC2)ccc1C[NH2+]C[C@@H]1CCCO1 ZINC000299762344 410612873 /nfs/dbraw/zinc/61/28/73/410612873.db2.gz VGKFIFWNAWNWLS-SFHVURJKSA-N 2 2 320.433 1.666 50 0 DDAALP C[NH+](C)CCN(Cc1ccccc1)C(=O)NCc1[nH]cc[nH+]1 ZINC000426478999 419481679 /nfs/dbraw/zinc/48/16/79/419481679.db2.gz PBDRDKYAJFAVAV-UHFFFAOYSA-N 2 2 301.394 1.683 50 0 DDAALP O=C(NCCCCC[NH+]1CCOCC1)c1ccc2[nH+]ccn2c1 ZINC000223514146 484153422 /nfs/dbraw/zinc/15/34/22/484153422.db2.gz QYHMAOFYAQVUAV-UHFFFAOYSA-N 2 2 316.405 1.567 50 0 DDAALP CC(C)C[C@H](NC(=O)C[N@H+](C)C1CC[NH2+]CC1)c1cccnc1 ZINC000670454796 484841528 /nfs/dbraw/zinc/84/15/28/484841528.db2.gz BESIKAWHEZTCBU-KRWDZBQOSA-N 2 2 318.465 1.969 50 0 DDAALP CC(C)C[C@H](NC(=O)C[N@@H+](C)C1CC[NH2+]CC1)c1cccnc1 ZINC000670454796 484841534 /nfs/dbraw/zinc/84/15/34/484841534.db2.gz BESIKAWHEZTCBU-KRWDZBQOSA-N 2 2 318.465 1.969 50 0 DDAALP CCn1ncc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)n1 ZINC000585087128 539556403 /nfs/dbraw/zinc/55/64/03/539556403.db2.gz POSCPHVBCZLHGK-YOEHRIQHSA-N 2 2 314.437 1.693 50 0 DDAALP CCn1ncc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)n1 ZINC000585087128 539556406 /nfs/dbraw/zinc/55/64/06/539556406.db2.gz POSCPHVBCZLHGK-YOEHRIQHSA-N 2 2 314.437 1.693 50 0 DDAALP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2cscn2)nc[nH+]1 ZINC000072276612 191098694 /nfs/dbraw/zinc/09/86/94/191098694.db2.gz ZVOQIEHYPNLQHD-LBPRGKRZSA-N 2 2 304.423 1.733 50 0 DDAALP Cc1cccc(N2CCC[C@H](C(=O)N3CC[NH+](C)CC3)C2)[nH+]1 ZINC000195566818 354297629 /nfs/dbraw/zinc/29/76/29/354297629.db2.gz UYMPETARBTZTOQ-HNNXBMFYSA-N 2 2 302.422 1.380 50 0 DDAALP COc1ccccc1C[NH+]1CCN(C(=O)[C@H]2CC[C@H]([NH3+])C2)CC1 ZINC000237167013 202174018 /nfs/dbraw/zinc/17/40/18/202174018.db2.gz OJYWZIAUORNSEK-HOCLYGCPSA-N 2 2 317.433 1.467 50 0 DDAALP CCc1ccccc1C[N@@H+]1C[C@H](CO)[C@H](C[NH+]2CCOCC2)C1 ZINC000091657226 193086231 /nfs/dbraw/zinc/08/62/31/193086231.db2.gz LEWFFQZXVNTZIZ-RTBURBONSA-N 2 2 318.461 1.622 50 0 DDAALP CCc1ccccc1C[N@H+]1C[C@H](CO)[C@H](C[NH+]2CCOCC2)C1 ZINC000091657226 193086233 /nfs/dbraw/zinc/08/62/33/193086233.db2.gz LEWFFQZXVNTZIZ-RTBURBONSA-N 2 2 318.461 1.622 50 0 DDAALP Cn1cc[nH+]c1CN1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccncc1)C2 ZINC000092066430 193152814 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Cc1ccc(CC(=O)N2CC[NH+](CCn3cc[nH+]c3)CC2)cc1 ZINC000089632180 407141792 /nfs/dbraw/zinc/14/17/92/407141792.db2.gz ZPYPSSAVXLCVRJ-UHFFFAOYSA-N 2 2 312.417 1.578 50 0 DDAALP CCCc1nnc(N2CC[NH+](C[C@@H]3CCC[N@H+](C)C3)CC2)o1 ZINC000095368772 407209598 /nfs/dbraw/zinc/20/95/98/407209598.db2.gz IOQOLSZHCIWKCT-CQSZACIVSA-N 2 2 307.442 1.486 50 0 DDAALP CCCc1nnc(N2CC[NH+](C[C@@H]3CCC[N@@H+](C)C3)CC2)o1 ZINC000095368772 407209599 /nfs/dbraw/zinc/20/95/99/407209599.db2.gz IOQOLSZHCIWKCT-CQSZACIVSA-N 2 2 307.442 1.486 50 0 DDAALP CCOC(=O)CC[NH+]1CCC([NH2+]C[C@@](C)(CC)[C@H](C)O)CC1 ZINC000095986494 407220710 /nfs/dbraw/zinc/22/07/10/407220710.db2.gz OTQWNYDLXGUBQW-WMLDXEAASA-N 2 2 314.470 1.791 50 0 DDAALP O[C@@H]1CCC[N@H+](CCCNc2cc(N3CCCCC3)[nH+]cn2)C1 ZINC000065383743 407243162 /nfs/dbraw/zinc/24/31/62/407243162.db2.gz PVBHEGBWMAVSFN-OAHLLOKOSA-N 2 2 319.453 1.726 50 0 DDAALP O[C@@H]1CCC[N@@H+](CCCNc2cc(N3CCCCC3)[nH+]cn2)C1 ZINC000065383743 407243164 /nfs/dbraw/zinc/24/31/64/407243164.db2.gz PVBHEGBWMAVSFN-OAHLLOKOSA-N 2 2 319.453 1.726 50 0 DDAALP O[C@@H]1CCC[N@H+](CCCNc2cc(N3CCCCC3)nc[nH+]2)C1 ZINC000065383743 407243165 /nfs/dbraw/zinc/24/31/65/407243165.db2.gz PVBHEGBWMAVSFN-OAHLLOKOSA-N 2 2 319.453 1.726 50 0 DDAALP O[C@@H]1CCC[N@@H+](CCCNc2cc(N3CCCCC3)nc[nH+]2)C1 ZINC000065383743 407243167 /nfs/dbraw/zinc/24/31/67/407243167.db2.gz PVBHEGBWMAVSFN-OAHLLOKOSA-N 2 2 319.453 1.726 50 0 DDAALP CCN(CCc1[nH]c2ccc(OC)cc2[nH+]1)C(=O)[C@@H]1CC[NH2+]C1 ZINC000214985422 407479295 /nfs/dbraw/zinc/47/92/95/407479295.db2.gz XRDVZMXEAPZERQ-GFCCVEGCSA-N 2 2 316.405 1.572 50 0 DDAALP O=C(C[N@@H+]1CC[C@H](c2ccccc2)C1)NCCCc1[nH]cc[nH+]1 ZINC000219903390 407534665 /nfs/dbraw/zinc/53/46/65/407534665.db2.gz TXRXFYOTCYKNNT-INIZCTEOSA-N 2 2 312.417 1.948 50 0 DDAALP O=C(C[N@H+]1CC[C@H](c2ccccc2)C1)NCCCc1[nH]cc[nH+]1 ZINC000219903390 407534674 /nfs/dbraw/zinc/53/46/74/407534674.db2.gz TXRXFYOTCYKNNT-INIZCTEOSA-N 2 2 312.417 1.948 50 0 DDAALP CC(C)c1nc(N2CCC([NH2+]C3CC3)CC2)nc(N(C)C)[nH+]1 ZINC000239367354 407903661 /nfs/dbraw/zinc/90/36/61/407903661.db2.gz AIJSHOYCVMJJGQ-UHFFFAOYSA-N 2 2 304.442 1.782 50 0 DDAALP CC(C)c1nc(N(C)C)nc(N2CCC([NH2+]C3CC3)CC2)[nH+]1 ZINC000239367354 407903668 /nfs/dbraw/zinc/90/36/68/407903668.db2.gz AIJSHOYCVMJJGQ-UHFFFAOYSA-N 2 2 304.442 1.782 50 0 DDAALP CCCn1cc[nH+]c1CNC(=O)CC[C@H](C)[NH+]1CCN(C)CC1 ZINC000243901025 407922369 /nfs/dbraw/zinc/92/23/69/407922369.db2.gz AYPKJJNUBDTNDR-HNNXBMFYSA-N 2 2 321.469 1.325 50 0 DDAALP Nc1nc(NCc2c[nH+]cn2C2CC2)cc([C@@H]2CCOC2)[nH+]1 ZINC000299779333 410622262 /nfs/dbraw/zinc/62/22/62/410622262.db2.gz RKFXULZYLJIVIY-SNVBAGLBSA-N 2 2 300.366 1.706 50 0 DDAALP CN(C)c1cc(CNC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc[nH+]1 ZINC000048354902 418470857 /nfs/dbraw/zinc/47/08/57/418470857.db2.gz SGGPHXCMLCHEKZ-LSDHHAIUSA-N 2 2 317.437 1.574 50 0 DDAALP CN(C)c1cc(CNC(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)cc[nH+]1 ZINC000048354902 418470862 /nfs/dbraw/zinc/47/08/62/418470862.db2.gz SGGPHXCMLCHEKZ-LSDHHAIUSA-N 2 2 317.437 1.574 50 0 DDAALP OC[C@H](C[NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cccnc1 ZINC000376803325 302105725 /nfs/dbraw/zinc/10/57/25/302105725.db2.gz XIQIPGBLGAZHRK-INIZCTEOSA-N 2 2 312.417 1.811 50 0 DDAALP CC[NH+]1CCN(CC(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)CC1 ZINC000073037288 490582378 /nfs/dbraw/zinc/58/23/78/490582378.db2.gz IBJWEJHAPDROMR-OAHLLOKOSA-N 2 2 321.469 1.052 50 0 DDAALP COCCn1cc[nH+]c1[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000095530927 185378775 /nfs/dbraw/zinc/37/87/75/185378775.db2.gz OXTSTAXYXPAPBX-AWEZNQCLSA-N 2 2 317.393 1.132 50 0 DDAALP C[C@H](C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)[NH+]1CCSCC1 ZINC000095435579 185364700 /nfs/dbraw/zinc/36/47/00/185364700.db2.gz PRSORINBONCPGT-ZIAGYGMSSA-N 2 2 320.462 1.214 50 0 DDAALP C[N@@H+](Cc1cc2n(n1)CC[NH2+]C2)C[C@@H]1COc2ccccc2O1 ZINC000072162093 191062639 /nfs/dbraw/zinc/06/26/39/191062639.db2.gz UYNWBHNBRHCXDI-OAHLLOKOSA-N 2 2 314.389 1.258 50 0 DDAALP C[N@H+](Cc1cc2n(n1)CC[NH2+]C2)C[C@@H]1COc2ccccc2O1 ZINC000072162093 191062640 /nfs/dbraw/zinc/06/26/40/191062640.db2.gz UYNWBHNBRHCXDI-OAHLLOKOSA-N 2 2 314.389 1.258 50 0 DDAALP Cc1cc(NC(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc[nH+]1 ZINC000193944578 201149542 /nfs/dbraw/zinc/14/95/42/201149542.db2.gz KFTPOTWVONTDRQ-OKILXGFUSA-N 2 2 306.410 1.963 50 0 DDAALP Cc1cc(NC(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc[nH+]1 ZINC000193944578 201149546 /nfs/dbraw/zinc/14/95/46/201149546.db2.gz KFTPOTWVONTDRQ-OKILXGFUSA-N 2 2 306.410 1.963 50 0 DDAALP Cc1cccc([C@H](NC(=O)C[N@@H+](C)C2CC[NH2+]CC2)C2CC2)n1 ZINC000216344429 201490909 /nfs/dbraw/zinc/49/09/09/201490909.db2.gz TVUNJRHKBVXTET-GOSISDBHSA-N 2 2 316.449 1.641 50 0 DDAALP Cc1cccc([C@H](NC(=O)C[N@H+](C)C2CC[NH2+]CC2)C2CC2)n1 ZINC000216344429 201490913 /nfs/dbraw/zinc/49/09/13/201490913.db2.gz TVUNJRHKBVXTET-GOSISDBHSA-N 2 2 316.449 1.641 50 0 DDAALP CCN(CC)c1[nH+]cccc1CNC(=O)[C@H]1CCC[N@H+](C)C1 ZINC000019146666 182106155 /nfs/dbraw/zinc/10/61/55/182106155.db2.gz CKPZNKMGYARCNW-HNNXBMFYSA-N 2 2 304.438 1.886 50 0 DDAALP CCN(CC)c1[nH+]cccc1CNC(=O)[C@H]1CCC[N@@H+](C)C1 ZINC000019146666 182106156 /nfs/dbraw/zinc/10/61/56/182106156.db2.gz CKPZNKMGYARCNW-HNNXBMFYSA-N 2 2 304.438 1.886 50 0 DDAALP CC[N@@H+]1CCC[C@@](C)(C(=O)N(C)CCCc2[nH+]ccn2C)C1 ZINC000065431265 184343939 /nfs/dbraw/zinc/34/39/39/184343939.db2.gz DFXHKUVWAXGQOL-QGZVFWFLSA-N 2 2 306.454 1.933 50 0 DDAALP CC[N@H+]1CCC[C@@](C)(C(=O)N(C)CCCc2[nH+]ccn2C)C1 ZINC000065431265 184343941 /nfs/dbraw/zinc/34/39/41/184343941.db2.gz DFXHKUVWAXGQOL-QGZVFWFLSA-N 2 2 306.454 1.933 50 0 DDAALP CC(C)n1cc[nH+]c1[C@@H]1CCC[N@H+](CC(=O)N2CC[NH2+]CC2)C1 ZINC000095379104 257271949 /nfs/dbraw/zinc/27/19/49/257271949.db2.gz VQMUCFMEKLLWJQ-OAHLLOKOSA-N 3 2 319.453 1.075 50 0 DDAALP CC(C)n1cc[nH+]c1[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH2+]CC2)C1 ZINC000095379104 257271951 /nfs/dbraw/zinc/27/19/51/257271951.db2.gz VQMUCFMEKLLWJQ-OAHLLOKOSA-N 3 2 319.453 1.075 50 0 DDAALP C[NH+](C)C1(CNc2cc(C3CC([NH3+])C3)[nH+]c(N)n2)CCCCC1 ZINC000222564216 257274329 /nfs/dbraw/zinc/27/43/29/257274329.db2.gz ZOJJVTKHQFRDMB-UHFFFAOYSA-N 3 2 318.469 1.940 50 0 DDAALP CCCCSc1nc(NC[C@H]2C[N@H+](C)CCN2C)cc(N)[nH+]1 ZINC000095382244 407212434 /nfs/dbraw/zinc/21/24/34/407212434.db2.gz VMUKAEASJPZPBJ-LBPRGKRZSA-N 2 2 324.498 1.609 50 0 DDAALP CCCCSc1nc(NC[C@H]2C[N@@H+](C)CCN2C)cc(N)[nH+]1 ZINC000095382244 407212438 /nfs/dbraw/zinc/21/24/38/407212438.db2.gz VMUKAEASJPZPBJ-LBPRGKRZSA-N 2 2 324.498 1.609 50 0 DDAALP C[C@H]1CC[N@H+](CC(=O)Nc2nncs2)C[C@@H]1n1cc[nH+]c1 ZINC000095981715 407220168 /nfs/dbraw/zinc/22/01/68/407220168.db2.gz ANBDWCPULNXNDH-QWRGUYRKSA-N 2 2 306.395 1.256 50 0 DDAALP C[C@H]1CC[N@@H+](CC(=O)Nc2nncs2)C[C@@H]1n1cc[nH+]c1 ZINC000095981715 407220170 /nfs/dbraw/zinc/22/01/70/407220170.db2.gz ANBDWCPULNXNDH-QWRGUYRKSA-N 2 2 306.395 1.256 50 0 DDAALP COCCn1ccnc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000215398609 407483210 /nfs/dbraw/zinc/48/32/10/407483210.db2.gz SDHKBKGDBYFCJU-UHFFFAOYSA-N 2 2 322.453 1.074 50 0 DDAALP Cn1cc[nH+]c1CCNC(=O)C1([NH+]2CCOCC2)CCCCC1 ZINC000223877866 407573803 /nfs/dbraw/zinc/57/38/03/407573803.db2.gz RYYFWLLUPQRKJM-UHFFFAOYSA-N 2 2 320.437 1.114 50 0 DDAALP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1cc(C(C)(C)C)n[nH]1 ZINC000225773034 407606054 /nfs/dbraw/zinc/60/60/54/407606054.db2.gz YIPUHHQLWBJSQT-UHFFFAOYSA-N 2 2 321.469 1.303 50 0 DDAALP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1cc(C(C)(C)C)n[nH]1 ZINC000225773034 407606065 /nfs/dbraw/zinc/60/60/65/407606065.db2.gz YIPUHHQLWBJSQT-UHFFFAOYSA-N 2 2 321.469 1.303 50 0 DDAALP [NH3+]C[C@H]1CCCCN1C(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000237962817 407856497 /nfs/dbraw/zinc/85/64/97/407856497.db2.gz ZTSSQGBFOUBTJA-QGZVFWFLSA-N 2 2 317.433 1.472 50 0 DDAALP O=C(NCCc1[nH]cc[nH+]1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000172991641 407857688 /nfs/dbraw/zinc/85/76/88/407857688.db2.gz DDJDQJAZZGJZDY-MRXNPFEDSA-N 2 2 312.417 1.981 50 0 DDAALP O=C(NCCc1[nH]cc[nH+]1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000172991641 407857695 /nfs/dbraw/zinc/85/76/95/407857695.db2.gz DDJDQJAZZGJZDY-MRXNPFEDSA-N 2 2 312.417 1.981 50 0 DDAALP O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)[C@H]1C[NH2+]CCO1 ZINC000188064026 407915532 /nfs/dbraw/zinc/91/55/32/407915532.db2.gz PWWMEBMIOPHQRC-OAHLLOKOSA-N 2 2 318.421 1.067 50 0 DDAALP Cn1c[nH+]cc1CNc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000278852938 409101808 /nfs/dbraw/zinc/10/18/08/409101808.db2.gz DYYBHUYKTSNCBZ-UHFFFAOYSA-N 2 2 313.405 1.420 50 0 DDAALP CC[N@H+](Cc1ccc2c(c1)OCCO2)C[C@]1(O)CCC[NH+](C)C1 ZINC000046087373 418444894 /nfs/dbraw/zinc/44/48/94/418444894.db2.gz SSGBBCYSZQECOP-SFHVURJKSA-N 2 2 320.433 1.736 50 0 DDAALP CC[N@@H+](Cc1ccc2c(c1)OCCO2)C[C@]1(O)CCC[NH+](C)C1 ZINC000046087373 418444897 /nfs/dbraw/zinc/44/48/97/418444897.db2.gz SSGBBCYSZQECOP-SFHVURJKSA-N 2 2 320.433 1.736 50 0 DDAALP CC[NH+](Cc1ccc2c(c1)OCCO2)C[C@]1(O)CCC[N@H+](C)C1 ZINC000046087373 418444900 /nfs/dbraw/zinc/44/49/00/418444900.db2.gz SSGBBCYSZQECOP-SFHVURJKSA-N 2 2 320.433 1.736 50 0 DDAALP CC[NH+](Cc1ccc2c(c1)OCCO2)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000046087373 418444902 /nfs/dbraw/zinc/44/49/02/418444902.db2.gz SSGBBCYSZQECOP-SFHVURJKSA-N 2 2 320.433 1.736 50 0 DDAALP Nc1nc(NCc2ccc3c(c2)OCO3)cc(C2CC([NH3+])C2)[nH+]1 ZINC000223088750 418562415 /nfs/dbraw/zinc/56/24/15/418562415.db2.gz RDKBZEAYARBKIR-UHFFFAOYSA-N 2 2 313.361 1.604 50 0 DDAALP Cc1nc(C(F)(F)F)ncc1C[N@@H+]1CCO[C@@H](CC[NH3+])C1 ZINC000426551802 419505087 /nfs/dbraw/zinc/50/50/87/419505087.db2.gz LSSPCDCMFGUBGN-NSHDSACASA-N 2 2 304.316 1.353 50 0 DDAALP Cc1nc(C(F)(F)F)ncc1C[N@H+]1CCO[C@@H](CC[NH3+])C1 ZINC000426551802 419505095 /nfs/dbraw/zinc/50/50/95/419505095.db2.gz LSSPCDCMFGUBGN-NSHDSACASA-N 2 2 304.316 1.353 50 0 DDAALP CCOC(=O)N1CC[C@H]([NH2+]Cc2c[nH+]c3c(C)cccn23)C1 ZINC000185784054 263394511 /nfs/dbraw/zinc/39/45/11/263394511.db2.gz NDCQLGMEDHFPJZ-ZDUSSCGKSA-N 2 2 302.378 1.963 50 0 DDAALP Cn1cc(CCC[NH+]2CCN(C3=[NH+]CC(C)(C)S3)CC2)cn1 ZINC000085821239 484002884 /nfs/dbraw/zinc/00/28/84/484002884.db2.gz NSFQUUJUAUDDEF-UHFFFAOYSA-N 2 2 321.494 1.852 50 0 DDAALP COc1cccc(C(=O)N2CC[NH+](C[C@H]3CC[NH2+]C3)CC2)c1 ZINC000072145831 191052535 /nfs/dbraw/zinc/05/25/35/191052535.db2.gz RHFSZKYHPWWRJX-AWEZNQCLSA-N 2 2 303.406 1.063 50 0 DDAALP CCn1cc[nH+]c1[C@@H]1CCCN(C(=O)C[N@H+](C)CCOC)C1 ZINC000091988007 193137637 /nfs/dbraw/zinc/13/76/37/193137637.db2.gz UHFRBVMVCFQEFE-CQSZACIVSA-N 2 2 308.426 1.187 50 0 DDAALP CCn1cc[nH+]c1[C@@H]1CCCN(C(=O)C[N@@H+](C)CCOC)C1 ZINC000091988007 193137639 /nfs/dbraw/zinc/13/76/39/193137639.db2.gz UHFRBVMVCFQEFE-CQSZACIVSA-N 2 2 308.426 1.187 50 0 DDAALP Cn1nccc1[C@H]1[C@H](C[NH2+]CC2=CCCOC2)CCC[N@@H+]1C ZINC000284704630 218141927 /nfs/dbraw/zinc/14/19/27/218141927.db2.gz YXPLDFAIGBONNR-DOTOQJQBSA-N 2 2 304.438 1.739 50 0 DDAALP Cn1nccc1[C@H]1[C@H](C[NH2+]CC2=CCCOC2)CCC[N@H+]1C ZINC000284704630 218141929 /nfs/dbraw/zinc/14/19/29/218141929.db2.gz YXPLDFAIGBONNR-DOTOQJQBSA-N 2 2 304.438 1.739 50 0 DDAALP COc1ccc(/C=C/C[N@@H+]2CCN3CC[NH+](C)C[C@H]3C2)cc1 ZINC000065371327 184329988 /nfs/dbraw/zinc/32/99/88/184329988.db2.gz ZJBBZNLWPXSQLU-IDOMTICXSA-N 2 2 301.434 1.640 50 0 DDAALP COc1ccc(/C=C/C[N@H+]2CCN3CC[NH+](C)C[C@H]3C2)cc1 ZINC000065371327 184329989 /nfs/dbraw/zinc/32/99/89/184329989.db2.gz ZJBBZNLWPXSQLU-IDOMTICXSA-N 2 2 301.434 1.640 50 0 DDAALP COc1ccc(/C=C/C[NH+]2CCN3CC[N@H+](C)C[C@H]3C2)cc1 ZINC000065371327 184329990 /nfs/dbraw/zinc/32/99/90/184329990.db2.gz ZJBBZNLWPXSQLU-IDOMTICXSA-N 2 2 301.434 1.640 50 0 DDAALP COc1ccc(/C=C/C[NH+]2CCN3CC[N@@H+](C)C[C@H]3C2)cc1 ZINC000065371327 184329991 /nfs/dbraw/zinc/32/99/91/184329991.db2.gz ZJBBZNLWPXSQLU-IDOMTICXSA-N 2 2 301.434 1.640 50 0 DDAALP CC[N@@H+]1CCN(C(=O)c2csc(C[NH+](C)C)n2)CC1(C)C ZINC000071575960 406840518 /nfs/dbraw/zinc/84/05/18/406840518.db2.gz VNDZTZLLNUFUTB-UHFFFAOYSA-N 2 2 310.467 1.761 50 0 DDAALP CC[N@H+]1CCN(C(=O)c2csc(C[NH+](C)C)n2)CC1(C)C ZINC000071575960 406840522 /nfs/dbraw/zinc/84/05/22/406840522.db2.gz VNDZTZLLNUFUTB-UHFFFAOYSA-N 2 2 310.467 1.761 50 0 DDAALP C[C@H](Cn1cc[nH+]c1)NC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000072960827 406886722 /nfs/dbraw/zinc/88/67/22/406886722.db2.gz QAGNFMPYXLRZBP-OAHLLOKOSA-N 2 2 320.437 1.423 50 0 DDAALP Cc1cc(N2CC[NH+](CCC(=O)OC(C)(C)C)CC2)nc(C)[nH+]1 ZINC000071800053 406844075 /nfs/dbraw/zinc/84/40/75/406844075.db2.gz OERXWXSZSMOUJY-UHFFFAOYSA-N 2 2 320.437 1.947 50 0 DDAALP CCc1c[nH+]c(N)nc1N1CC[NH+](C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000095359156 407208737 /nfs/dbraw/zinc/20/87/37/407208737.db2.gz PWMJTODRAJBQLR-CQSZACIVSA-N 3 2 318.469 1.085 50 0 DDAALP CCc1c[nH+]c(N)nc1N1CC[NH+](C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000095359156 407208738 /nfs/dbraw/zinc/20/87/38/407208738.db2.gz PWMJTODRAJBQLR-CQSZACIVSA-N 3 2 318.469 1.085 50 0 DDAALP Cn1cc[nH+]c1CN(C[C@]1(O)CCC[N@@H+]2CCCC[C@@H]21)C1CC1 ZINC000063882664 407236217 /nfs/dbraw/zinc/23/62/17/407236217.db2.gz ATTJWMVHAAICSX-SJLPKXTDSA-N 2 2 318.465 1.764 50 0 DDAALP Cn1cc[nH+]c1CN(C[C@]1(O)CCC[N@H+]2CCCC[C@@H]21)C1CC1 ZINC000063882664 407236221 /nfs/dbraw/zinc/23/62/21/407236221.db2.gz ATTJWMVHAAICSX-SJLPKXTDSA-N 2 2 318.465 1.764 50 0 DDAALP CCCN1C[C@@H]([NH2+]C2CC[NH+](Cc3cccnc3)CC2)CC1=O ZINC000067920974 407290491 /nfs/dbraw/zinc/29/04/91/407290491.db2.gz TYIBDIWGSWEMEW-KRWDZBQOSA-N 2 2 316.449 1.647 50 0 DDAALP COc1ccc(C[NH+]2CCC(O)(Cn3cc[nH+]c3)CC2)cn1 ZINC000215254158 407482979 /nfs/dbraw/zinc/48/29/79/407482979.db2.gz NSIWOEWBXIDEAG-UHFFFAOYSA-N 2 2 302.378 1.314 50 0 DDAALP [NH3+][C@H]1CCCN(Cc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC000216297132 407495214 /nfs/dbraw/zinc/49/52/14/407495214.db2.gz LTHURXLDRDYIRJ-KRWDZBQOSA-N 2 2 319.449 1.321 50 0 DDAALP Cc1[nH+]ccn1CCNC(=O)[C@H](c1ccccc1C)[NH+](C)C ZINC000220042765 407537229 /nfs/dbraw/zinc/53/72/29/407537229.db2.gz OBLXYKVMYJATCV-INIZCTEOSA-N 2 2 300.406 1.919 50 0 DDAALP CCCn1cc[nH+]c1CNC(=O)CC[C@@H](C)[NH+]1CCN(C)CC1 ZINC000243901027 407921740 /nfs/dbraw/zinc/92/17/40/407921740.db2.gz AYPKJJNUBDTNDR-OAHLLOKOSA-N 2 2 321.469 1.325 50 0 DDAALP C[N@@H+]1CCC[C@](O)(C[NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000046087405 418445988 /nfs/dbraw/zinc/44/59/88/418445988.db2.gz OEYHCEMAKQYNFD-QGZVFWFLSA-N 2 2 323.868 1.919 50 0 DDAALP C[N@H+]1CCC[C@](O)(C[NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000046087405 418445991 /nfs/dbraw/zinc/44/59/91/418445991.db2.gz OEYHCEMAKQYNFD-QGZVFWFLSA-N 2 2 323.868 1.919 50 0 DDAALP C[C@@H]1C[C@H](NC[C@H]2C[C@@H](O)C[NH+]2Cc2ccccc2)C[N@@H+]1C ZINC000245344192 222215361 /nfs/dbraw/zinc/21/53/61/222215361.db2.gz XZZBGJNNIZOVPK-BZZMCLGOSA-N 2 2 303.450 1.304 50 0 DDAALP C[C@@H]1C[C@H](NC[C@H]2C[C@@H](O)C[NH+]2Cc2ccccc2)C[N@H+]1C ZINC000245344192 222215363 /nfs/dbraw/zinc/21/53/63/222215363.db2.gz XZZBGJNNIZOVPK-BZZMCLGOSA-N 2 2 303.450 1.304 50 0 DDAALP C[C@@H]1C[C@H](NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)C[NH+]1C ZINC000245344192 222215365 /nfs/dbraw/zinc/21/53/65/222215365.db2.gz XZZBGJNNIZOVPK-BZZMCLGOSA-N 2 2 303.450 1.304 50 0 DDAALP C[C@@H]1C[C@H](NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)C[NH+]1C ZINC000245344192 222215367 /nfs/dbraw/zinc/21/53/67/222215367.db2.gz XZZBGJNNIZOVPK-BZZMCLGOSA-N 2 2 303.450 1.304 50 0 DDAALP C[C@@H]([NH3+])C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000168598500 274234665 /nfs/dbraw/zinc/23/46/65/274234665.db2.gz YNEBDVSQJJKCHW-ZWNOBZJWSA-N 2 2 313.804 1.907 50 0 DDAALP C[C@@H]([NH3+])C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000168598500 274234669 /nfs/dbraw/zinc/23/46/69/274234669.db2.gz YNEBDVSQJJKCHW-ZWNOBZJWSA-N 2 2 313.804 1.907 50 0 DDAALP Cc1c[nH+]c(NC[C@H](c2ccccn2)[NH+](C)C)nc1N(C)C ZINC000065397886 281629107 /nfs/dbraw/zinc/62/91/07/281629107.db2.gz VYLQPKXMCHSAAC-CQSZACIVSA-N 2 2 300.410 1.961 50 0 DDAALP OC1CC[NH+]([C@@H]2CC[N@H+](CCCc3ccccc3)C[C@H]2O)CC1 ZINC000011934074 696048304 /nfs/dbraw/zinc/04/83/04/696048304.db2.gz HKQMSKIJSUEXDP-RTBURBONSA-N 2 2 318.461 1.511 50 0 DDAALP OC1CC[NH+]([C@@H]2CC[N@@H+](CCCc3ccccc3)C[C@H]2O)CC1 ZINC000011934074 696048306 /nfs/dbraw/zinc/04/83/06/696048306.db2.gz HKQMSKIJSUEXDP-RTBURBONSA-N 2 2 318.461 1.511 50 0 DDAALP C[C@@](O)(C[NH3+])C[NH+]1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000952876982 775626838 /nfs/dbraw/zinc/62/68/38/775626838.db2.gz JUIQVTYPRQPKGO-MRXNPFEDSA-N 2 2 304.394 1.089 50 0 DDAALP CCCCc1[nH]c(C[N@@H+]2CC[C@@H](CNC(C)=O)[C@H](O)C2)c[nH+]1 ZINC000072439555 191167057 /nfs/dbraw/zinc/16/70/57/191167057.db2.gz RPXGRKHTGZHGRQ-DZGCQCFKSA-N 2 2 308.426 1.071 50 0 DDAALP CCCCc1[nH]c(C[N@H+]2CC[C@@H](CNC(C)=O)[C@H](O)C2)c[nH+]1 ZINC000072439555 191167060 /nfs/dbraw/zinc/16/70/60/191167060.db2.gz RPXGRKHTGZHGRQ-DZGCQCFKSA-N 2 2 308.426 1.071 50 0 DDAALP COC(=O)c1cc(C[N@@H+]2CCC[C@@](O)(C[NH+](C)C)C2)ccc1O ZINC000072479855 191180917 /nfs/dbraw/zinc/18/09/17/191180917.db2.gz MXICGIAMGLGKDL-QGZVFWFLSA-N 2 2 322.405 1.067 50 0 DDAALP COC(=O)c1cc(C[N@H+]2CCC[C@@](O)(C[NH+](C)C)C2)ccc1O ZINC000072479855 191180919 /nfs/dbraw/zinc/18/09/19/191180919.db2.gz MXICGIAMGLGKDL-QGZVFWFLSA-N 2 2 322.405 1.067 50 0 DDAALP COCC[N@@H+]1CCN(Cc2c[nH+]c3ccc(C)cn23)C[C@@H]1C ZINC000245683407 354354440 /nfs/dbraw/zinc/35/44/40/354354440.db2.gz ABVMRBUGAKNQER-HNNXBMFYSA-N 2 2 302.422 1.795 50 0 DDAALP COCC[N@H+]1CCN(Cc2c[nH+]c3ccc(C)cn23)C[C@@H]1C ZINC000245683407 354354444 /nfs/dbraw/zinc/35/44/44/354354444.db2.gz ABVMRBUGAKNQER-HNNXBMFYSA-N 2 2 302.422 1.795 50 0 DDAALP CC(=O)c1cnn(-c2cc(NCCC[NH+](C)C)[nH+]c(C)n2)c1C ZINC000005353330 181233695 /nfs/dbraw/zinc/23/36/95/181233695.db2.gz YKAJTQHFSOGUOM-UHFFFAOYSA-N 2 2 316.409 1.845 50 0 DDAALP O=C(c1ccsc1)N1CCC[N@H+](CCn2cc[nH+]c2)CC1 ZINC000179314471 199014491 /nfs/dbraw/zinc/01/44/91/199014491.db2.gz AUORZDPNQVUNLM-UHFFFAOYSA-N 2 2 304.419 1.793 50 0 DDAALP O=C(c1ccsc1)N1CCC[N@@H+](CCn2cc[nH+]c2)CC1 ZINC000179314471 199014494 /nfs/dbraw/zinc/01/44/94/199014494.db2.gz AUORZDPNQVUNLM-UHFFFAOYSA-N 2 2 304.419 1.793 50 0 DDAALP C[N@H+](CCO)C[C@@H]1C[NH+](Cc2ccc(Cl)s2)C[C@@H]1CO ZINC000091595438 193077985 /nfs/dbraw/zinc/07/79/85/193077985.db2.gz CBSUAENQOZYKSR-VXGBXAGGSA-N 2 2 318.870 1.366 50 0 DDAALP C[N@@H+](CCO)C[C@@H]1C[NH+](Cc2ccc(Cl)s2)C[C@@H]1CO ZINC000091595438 193077987 /nfs/dbraw/zinc/07/79/87/193077987.db2.gz CBSUAENQOZYKSR-VXGBXAGGSA-N 2 2 318.870 1.366 50 0 DDAALP C[NH+](CCO)C[C@@H]1C[N@H+](Cc2ccc(Cl)s2)C[C@@H]1CO ZINC000091595438 193077988 /nfs/dbraw/zinc/07/79/88/193077988.db2.gz CBSUAENQOZYKSR-VXGBXAGGSA-N 2 2 318.870 1.366 50 0 DDAALP C[NH+](CCO)C[C@@H]1C[N@@H+](Cc2ccc(Cl)s2)C[C@@H]1CO ZINC000091595438 193077990 /nfs/dbraw/zinc/07/79/90/193077990.db2.gz CBSUAENQOZYKSR-VXGBXAGGSA-N 2 2 318.870 1.366 50 0 DDAALP C[C@@H]1C[N@@H+](C[C@@H]2CN(c3cccc[nH+]3)C[C@@H]2CO)C[C@H](C)O1 ZINC000091656469 193085530 /nfs/dbraw/zinc/08/55/30/193085530.db2.gz MXYXKCHGXTYTQR-QKPAOTATSA-N 2 2 305.422 1.236 50 0 DDAALP C[C@@H]1C[N@H+](C[C@@H]2CN(c3cccc[nH+]3)C[C@@H]2CO)C[C@H](C)O1 ZINC000091656469 193085531 /nfs/dbraw/zinc/08/55/31/193085531.db2.gz MXYXKCHGXTYTQR-QKPAOTATSA-N 2 2 305.422 1.236 50 0 DDAALP O=C([C@H]1CCC[NH2+]C1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000020269786 182202077 /nfs/dbraw/zinc/20/20/77/182202077.db2.gz ANDUKEHEVFLGCI-MOTZXUDYSA-N 2 2 313.445 1.844 50 0 DDAALP C[C@@H]1C[NH+](CCCNc2[nH+]cnc3c2cnn3C)C[C@@H](C)O1 ZINC000023619446 182364632 /nfs/dbraw/zinc/36/46/32/182364632.db2.gz XEKRMVCLWBRCAZ-VXGBXAGGSA-N 2 2 304.398 1.275 50 0 DDAALP Cc1cc(C)c(C(N)=O)c(NCC(C)(C)[NH+]2CCOCC2)[nH+]1 ZINC000012905824 406855502 /nfs/dbraw/zinc/85/55/02/406855502.db2.gz DAVIZICHIOWDGQ-UHFFFAOYSA-N 2 2 306.410 1.320 50 0 DDAALP C[NH+](C)[C@@H](C(=O)NCCC[NH+]1CCOCC1)c1ccc(F)cc1 ZINC000095353663 407208534 /nfs/dbraw/zinc/20/85/34/407208534.db2.gz SZAFQSKGGPDFFT-MRXNPFEDSA-N 2 2 323.412 1.267 50 0 DDAALP Cc1cccc(N2CC[NH+](C[C@@]3(O)CCC[N@@H+](C)C3)CC2)c1C ZINC000057279004 407214667 /nfs/dbraw/zinc/21/46/67/407214667.db2.gz FFAPFQNJLPWQCV-LJQANCHMSA-N 2 2 317.477 1.882 50 0 DDAALP Cc1cccc(N2CC[NH+](C[C@@]3(O)CCC[N@H+](C)C3)CC2)c1C ZINC000057279004 407214669 /nfs/dbraw/zinc/21/46/69/407214669.db2.gz FFAPFQNJLPWQCV-LJQANCHMSA-N 2 2 317.477 1.882 50 0 DDAALP O=c1oc2ccccc2n1CC[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000067458450 407274335 /nfs/dbraw/zinc/27/43/35/407274335.db2.gz NPVPAMKHMXXQBP-QGZVFWFLSA-N 2 2 301.390 1.670 50 0 DDAALP O=c1oc2ccccc2n1CC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000067458450 407274337 /nfs/dbraw/zinc/27/43/37/407274337.db2.gz NPVPAMKHMXXQBP-QGZVFWFLSA-N 2 2 301.390 1.670 50 0 DDAALP CC[N@@H+]1CCC[C@@H](C[NH+]2CCN(C(=O)c3ccc[nH]3)CC2)C1 ZINC000215362439 407483957 /nfs/dbraw/zinc/48/39/57/407483957.db2.gz NKGZZUWAMZNKFL-OAHLLOKOSA-N 2 2 304.438 1.504 50 0 DDAALP CC[N@H+]1CCC[C@@H](C[NH+]2CCN(C(=O)c3ccc[nH]3)CC2)C1 ZINC000215362439 407483964 /nfs/dbraw/zinc/48/39/64/407483964.db2.gz NKGZZUWAMZNKFL-OAHLLOKOSA-N 2 2 304.438 1.504 50 0 DDAALP C[N@@H+]1CCc2n[nH]c(C(=O)NCCc3cn4ccccc4[nH+]3)c2C1 ZINC000299783494 410623502 /nfs/dbraw/zinc/62/35/02/410623502.db2.gz VYEWWWLOQFMCJW-UHFFFAOYSA-N 2 2 324.388 1.018 50 0 DDAALP C[N@H+]1CCc2n[nH]c(C(=O)NCCc3cn4ccccc4[nH+]3)c2C1 ZINC000299783494 410623507 /nfs/dbraw/zinc/62/35/07/410623507.db2.gz VYEWWWLOQFMCJW-UHFFFAOYSA-N 2 2 324.388 1.018 50 0 DDAALP CC[C@@H]1CN(C(=O)[C@H](C)n2cc[nH+]c2)C[C@@H]1[NH+]1CCOCC1 ZINC000107354670 418498720 /nfs/dbraw/zinc/49/87/20/418498720.db2.gz BDSHWZZAHMBHBU-ZNMIVQPWSA-N 2 2 306.410 1.013 50 0 DDAALP C[C@@H](O)CC[N@@H+]1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000408521447 418808070 /nfs/dbraw/zinc/80/80/70/418808070.db2.gz UOMKFMKUJJHKHW-HUUCEWRRSA-N 2 2 305.422 1.906 50 0 DDAALP CC(=O)C[N@H+]1c2ccccc2N(CC[NH+]2CCCCC2)C1=N ZINC000367627960 333198069 /nfs/dbraw/zinc/19/80/69/333198069.db2.gz ASFSKLCPAUTFMM-UHFFFAOYSA-N 2 2 300.406 1.997 50 0 DDAALP CC(=O)C[N@@H+]1c2ccccc2N(CC[NH+]2CCCCC2)C1=N ZINC000367627960 333198070 /nfs/dbraw/zinc/19/80/70/333198070.db2.gz ASFSKLCPAUTFMM-UHFFFAOYSA-N 2 2 300.406 1.997 50 0 DDAALP CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@@H]2C[NH+]3CCN2CC3)c1 ZINC000090647413 484012004 /nfs/dbraw/zinc/01/20/04/484012004.db2.gz CEMIZWALUMOYFZ-CXAGYDPISA-N 2 2 302.422 1.295 50 0 DDAALP Cc1ccc(OC2C[NH+]([C@H](C)CN3CC[NH+](C)CC3)C2)cc1 ZINC000670450670 484837351 /nfs/dbraw/zinc/83/73/51/484837351.db2.gz OTEDAVWERVSQFE-MRXNPFEDSA-N 2 2 303.450 1.694 50 0 DDAALP CCc1[nH+]ccn1CCC(=O)N1CCC[C@@H](Cn2cc[nH+]c2)C1 ZINC000823557570 758329065 /nfs/dbraw/zinc/32/90/65/758329065.db2.gz VGBYHPIPJQXCQA-HNNXBMFYSA-N 2 2 315.421 1.971 50 0 DDAALP C[N@@H+](Cc1cc2n(n1)CC[NH2+]C2)C[C@H]1COc2ccccc2O1 ZINC000072162094 191062921 /nfs/dbraw/zinc/06/29/21/191062921.db2.gz UYNWBHNBRHCXDI-HNNXBMFYSA-N 2 2 314.389 1.258 50 0 DDAALP C[N@H+](Cc1cc2n(n1)CC[NH2+]C2)C[C@H]1COc2ccccc2O1 ZINC000072162094 191062923 /nfs/dbraw/zinc/06/29/23/191062923.db2.gz UYNWBHNBRHCXDI-HNNXBMFYSA-N 2 2 314.389 1.258 50 0 DDAALP Cn1c(C[NH+](C)C)nnc1[C@H]1CCC[N@H+](Cc2ccoc2)C1 ZINC000072423088 191158056 /nfs/dbraw/zinc/15/80/56/191158056.db2.gz RGZWURYFACHYAZ-AWEZNQCLSA-N 2 2 303.410 1.849 50 0 DDAALP Cn1c(C[NH+](C)C)nnc1[C@H]1CCC[N@@H+](Cc2ccoc2)C1 ZINC000072423088 191158058 /nfs/dbraw/zinc/15/80/58/191158058.db2.gz RGZWURYFACHYAZ-AWEZNQCLSA-N 2 2 303.410 1.849 50 0 DDAALP Cc1nc2[nH]ccc2c(N2CCN(c3ccc(N)[nH+]c3)CC2)[nH+]1 ZINC000080970638 192208140 /nfs/dbraw/zinc/20/81/40/192208140.db2.gz TYJPFWPHHMHSTP-UHFFFAOYSA-N 2 2 309.377 1.570 50 0 DDAALP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@](C)(c3ccccc3)C2)CC1 ZINC000091444806 193056557 /nfs/dbraw/zinc/05/65/57/193056557.db2.gz KFHCJUCRNWOOJX-LJQANCHMSA-N 2 2 315.461 1.814 50 0 DDAALP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@](C)(c3ccccc3)C2)CC1 ZINC000091444806 193056559 /nfs/dbraw/zinc/05/65/59/193056559.db2.gz KFHCJUCRNWOOJX-LJQANCHMSA-N 2 2 315.461 1.814 50 0 DDAALP Cc1cc(C(=O)N[C@@H]2CCC[N@@H+](C3CC[NH+](C)CC3)C2)[nH]n1 ZINC000020119622 182189544 /nfs/dbraw/zinc/18/95/44/182189544.db2.gz ADDIEMBJYCAYNU-CYBMUJFWSA-N 2 2 305.426 1.007 50 0 DDAALP Cc1cc(C(=O)N[C@@H]2CCC[N@H+](C3CC[NH+](C)CC3)C2)[nH]n1 ZINC000020119622 182189545 /nfs/dbraw/zinc/18/95/45/182189545.db2.gz ADDIEMBJYCAYNU-CYBMUJFWSA-N 2 2 305.426 1.007 50 0 DDAALP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2c[nH]nc2C)nc[nH+]1 ZINC000105904827 194166803 /nfs/dbraw/zinc/16/68/03/194166803.db2.gz DVDVWXZLSIUWAR-CYBMUJFWSA-N 2 2 301.398 1.308 50 0 DDAALP c1ccc([C@@H](C[NH2+][C@H]2C[NH+]3CCC2CC3)N2CCOCC2)cc1 ZINC000096013556 407224169 /nfs/dbraw/zinc/22/41/69/407224169.db2.gz QDDHRSHRUMNLHN-RBUKOAKNSA-N 2 2 315.461 1.744 50 0 DDAALP CN(C)c1nc(N2CCC(C3CC[NH+](C)CC3)CC2)cc(N)[nH+]1 ZINC000096142125 407240510 /nfs/dbraw/zinc/24/05/10/407240510.db2.gz FTWIPRORNPNHGE-UHFFFAOYSA-N 2 2 318.469 1.683 50 0 DDAALP CN(C)c1nc(N)cc(N2CCC(C3CC[NH+](C)CC3)CC2)[nH+]1 ZINC000096142125 407240511 /nfs/dbraw/zinc/24/05/11/407240511.db2.gz FTWIPRORNPNHGE-UHFFFAOYSA-N 2 2 318.469 1.683 50 0 DDAALP Cc1[nH]c2ccc(NC(=O)N3CCO[C@H](CC[NH3+])C3)cc2[nH+]1 ZINC000299785722 410628308 /nfs/dbraw/zinc/62/83/08/410628308.db2.gz NNYWGCJZCHSQIP-GFCCVEGCSA-N 2 2 303.366 1.453 50 0 DDAALP C[N@@H+]1CCC[C@@](O)(C[NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000046087407 418444922 /nfs/dbraw/zinc/44/49/22/418444922.db2.gz OEYHCEMAKQYNFD-KRWDZBQOSA-N 2 2 323.868 1.919 50 0 DDAALP C[N@H+]1CCC[C@@](O)(C[NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000046087407 418444924 /nfs/dbraw/zinc/44/49/24/418444924.db2.gz OEYHCEMAKQYNFD-KRWDZBQOSA-N 2 2 323.868 1.919 50 0 DDAALP CCOC(=O)[C@H](C)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000408521866 418807909 /nfs/dbraw/zinc/80/79/09/418807909.db2.gz VTVAIGCDRVUINT-HNNXBMFYSA-N 2 2 311.470 1.430 50 0 DDAALP CCOC(=O)[C@H](C)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000408521866 418807912 /nfs/dbraw/zinc/80/79/12/418807912.db2.gz VTVAIGCDRVUINT-HNNXBMFYSA-N 2 2 311.470 1.430 50 0 DDAALP CC[N@@H+]1CC[C@H](CNC(=O)N(C)CCCc2[nH+]ccn2C)C1 ZINC000426486048 419486477 /nfs/dbraw/zinc/48/64/77/419486477.db2.gz VEUJACKMTYQHTI-CQSZACIVSA-N 2 2 307.442 1.336 50 0 DDAALP CC[N@H+]1CC[C@H](CNC(=O)N(C)CCCc2[nH+]ccn2C)C1 ZINC000426486048 419486481 /nfs/dbraw/zinc/48/64/81/419486481.db2.gz VEUJACKMTYQHTI-CQSZACIVSA-N 2 2 307.442 1.336 50 0 DDAALP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2cnc(C)cn2)nc[nH+]1 ZINC000084258496 483994135 /nfs/dbraw/zinc/99/41/35/483994135.db2.gz YNMSPTSJEXHXBX-AWEZNQCLSA-N 2 2 313.409 1.375 50 0 DDAALP Cc1[nH+]ccn1C[C@H]1CCC[N@H+](Cc2cc(=O)[nH]c(=O)[nH]2)C1 ZINC000828407766 759641284 /nfs/dbraw/zinc/64/12/84/759641284.db2.gz LZKIXSAJLXIICW-LBPRGKRZSA-N 2 2 303.366 1.305 50 0 DDAALP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+](Cc2cc(=O)[nH]c(=O)[nH]2)C1 ZINC000828407766 759641290 /nfs/dbraw/zinc/64/12/90/759641290.db2.gz LZKIXSAJLXIICW-LBPRGKRZSA-N 2 2 303.366 1.305 50 0 DDAALP C[NH+](C)CCn1cc[nH+]c1[C@@H]1CCCN(c2nc(N)cc[nH+]2)C1 ZINC000095510614 185376190 /nfs/dbraw/zinc/37/61/90/185376190.db2.gz UBCWCKXXQVEKRF-CYBMUJFWSA-N 3 2 315.425 1.201 50 0 DDAALP COc1cccc(-c2cc(C[NH2+]C[C@@]3(O)CCC[NH2+]C3)on2)c1 ZINC000072479667 191180977 /nfs/dbraw/zinc/18/09/77/191180977.db2.gz BWNIYMLKKNLRPS-QGZVFWFLSA-N 2 2 317.389 1.554 50 0 DDAALP COc1ccc([C@@H]2CN(Cc3[nH]cc[nH+]3)C[C@H]2[NH+](C)C)cc1 ZINC000091625215 193080688 /nfs/dbraw/zinc/08/06/88/193080688.db2.gz NGSNFGMOZTVCJB-JKSUJKDBSA-N 2 2 300.406 1.948 50 0 DDAALP CCCn1cc[nH+]c1CN1C[C@H](CO)[C@H](C[NH+]2CCCCC2)C1 ZINC000092028277 284132470 /nfs/dbraw/zinc/13/24/70/284132470.db2.gz DLJDAYWPJIUDGI-IAGOWNOFSA-N 2 2 320.481 1.819 50 0 DDAALP CCOc1ccc(C[NH2+]CC[NH2+]CCO)cc1Br ZINC000020477674 182222652 /nfs/dbraw/zinc/22/26/52/182222652.db2.gz LZSZIDHOIGFUDH-UHFFFAOYSA-N 2 2 317.227 1.519 50 0 DDAALP CCCOc1c(Cl)cc(C[NH2+]CC[NH2+]CCO)cc1OC ZINC000020968076 182257332 /nfs/dbraw/zinc/25/73/32/182257332.db2.gz BRHLUJTVEKZVEJ-UHFFFAOYSA-N 2 2 316.829 1.809 50 0 DDAALP C[C@@H]1C[N@@H+](CC(=O)N2CCC3(CC[NH+](C)C3)CC2)C[C@H](C)O1 ZINC000065384087 184332646 /nfs/dbraw/zinc/33/26/46/184332646.db2.gz LNKBAWXSFBUDPR-GASCZTMLSA-N 2 2 309.454 1.040 50 0 DDAALP C[C@@H]1C[N@H+](CC(=O)N2CCC3(CC[NH+](C)C3)CC2)C[C@H](C)O1 ZINC000065384087 184332648 /nfs/dbraw/zinc/33/26/48/184332648.db2.gz LNKBAWXSFBUDPR-GASCZTMLSA-N 2 2 309.454 1.040 50 0 DDAALP C[C@@H]1C[NH+](CC(=O)N2CCC3(CC[N@H+](C)C3)CC2)C[C@H](C)O1 ZINC000065384087 184332650 /nfs/dbraw/zinc/33/26/50/184332650.db2.gz LNKBAWXSFBUDPR-GASCZTMLSA-N 2 2 309.454 1.040 50 0 DDAALP C[C@@H]1C[NH+](CC(=O)N2CCC3(CC[N@@H+](C)C3)CC2)C[C@H](C)O1 ZINC000065384087 184332652 /nfs/dbraw/zinc/33/26/52/184332652.db2.gz LNKBAWXSFBUDPR-GASCZTMLSA-N 2 2 309.454 1.040 50 0 DDAALP Cc1cccc(NC[C@H]2CCN(c3cc[nH+]cc3C(N)=O)C2)[nH+]1 ZINC000095997113 256550582 /nfs/dbraw/zinc/55/05/82/256550582.db2.gz FTYHSRBITCWMEN-CYBMUJFWSA-N 2 2 311.389 1.822 50 0 DDAALP CC[NH+](CC)CCn1c2ccccc2n(CC(=O)OC)c1=[NH2+] ZINC000000274214 406637192 /nfs/dbraw/zinc/63/71/92/406637192.db2.gz RPQDYFHQCKXMFR-UHFFFAOYSA-N 2 2 304.394 1.437 50 0 DDAALP COCC[NH+]1CCC(c2[nH+]ccn2Cc2cnc(C)cn2)CC1 ZINC000071416155 406838701 /nfs/dbraw/zinc/83/87/01/406838701.db2.gz NRCOXHXCFRUPRD-UHFFFAOYSA-N 2 2 315.421 1.856 50 0 DDAALP Cc1cn2c([nH+]1)CC[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)C2 ZINC000072294947 406879421 /nfs/dbraw/zinc/87/94/21/406879421.db2.gz MOKORJBOJOLPNE-MRXNPFEDSA-N 2 2 312.417 1.998 50 0 DDAALP Cc1cnc(C(=O)N[C@H]2CCC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000012464529 406845193 /nfs/dbraw/zinc/84/51/93/406845193.db2.gz KQLUQABBZUQPNI-AWEZNQCLSA-N 2 2 317.437 1.073 50 0 DDAALP Cc1cnc(C(=O)N[C@H]2CCC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000012464529 406845197 /nfs/dbraw/zinc/84/51/97/406845197.db2.gz KQLUQABBZUQPNI-AWEZNQCLSA-N 2 2 317.437 1.073 50 0 DDAALP CN(C)c1ccc(C[N@@H+]2CCC[C@@](O)(C[NH+]3CCCC3)C2)cn1 ZINC000077535366 406995555 /nfs/dbraw/zinc/99/55/55/406995555.db2.gz PXUXFDVACMMBSH-GOSISDBHSA-N 2 2 318.465 1.570 50 0 DDAALP CN(C)c1ccc(C[N@H+]2CCC[C@@](O)(C[NH+]3CCCC3)C2)cn1 ZINC000077535366 406995556 /nfs/dbraw/zinc/99/55/56/406995556.db2.gz PXUXFDVACMMBSH-GOSISDBHSA-N 2 2 318.465 1.570 50 0 DDAALP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCO[C@H](C)C3)c2cc1C ZINC000051179891 407137711 /nfs/dbraw/zinc/13/77/11/407137711.db2.gz WEGIZTOWBODOHK-HUUCEWRRSA-N 2 2 303.406 1.735 50 0 DDAALP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCO[C@H](C)C3)c2cc1C ZINC000051179891 407137713 /nfs/dbraw/zinc/13/77/13/407137713.db2.gz WEGIZTOWBODOHK-HUUCEWRRSA-N 2 2 303.406 1.735 50 0 DDAALP Cn1ccnc1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000096441339 407266485 /nfs/dbraw/zinc/26/64/85/407266485.db2.gz ILZYMSJLGRDFDT-UHFFFAOYSA-N 2 2 319.453 1.100 50 0 DDAALP C[NH+]1CCC([N@@H+]2CCN(c3ncccc3Cl)C[C@H](O)C2)CC1 ZINC000097099140 407280790 /nfs/dbraw/zinc/28/07/90/407280790.db2.gz OIZVUCQCUGCKPE-CQSZACIVSA-N 2 2 324.856 1.312 50 0 DDAALP C[NH+]1CCC([N@H+]2CCN(c3ncccc3Cl)C[C@H](O)C2)CC1 ZINC000097099140 407280792 /nfs/dbraw/zinc/28/07/92/407280792.db2.gz OIZVUCQCUGCKPE-CQSZACIVSA-N 2 2 324.856 1.312 50 0 DDAALP COc1ccnc(N2CC[NH+](CCCn3cc[nH+]c3C)CC2)n1 ZINC000125030214 407376422 /nfs/dbraw/zinc/37/64/22/407376422.db2.gz UGFCOTJDEQOHSC-UHFFFAOYSA-N 2 2 316.409 1.202 50 0 DDAALP CC[N@@H+]1CCC[C@H](C[NH+]2CCN(C(=O)c3ccc[nH]3)CC2)C1 ZINC000215362405 407484854 /nfs/dbraw/zinc/48/48/54/407484854.db2.gz NKGZZUWAMZNKFL-HNNXBMFYSA-N 2 2 304.438 1.504 50 0 DDAALP CC[N@H+]1CCC[C@H](C[NH+]2CCN(C(=O)c3ccc[nH]3)CC2)C1 ZINC000215362405 407484859 /nfs/dbraw/zinc/48/48/59/407484859.db2.gz NKGZZUWAMZNKFL-HNNXBMFYSA-N 2 2 304.438 1.504 50 0 DDAALP C[C@@H]1OCC[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)[C@H]1C ZINC000158949039 408374127 /nfs/dbraw/zinc/37/41/27/408374127.db2.gz KIKZHRACJSFHQR-ZOBUZTSGSA-N 2 2 319.449 1.515 50 0 DDAALP C[C@@H]1OCC[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)[C@H]1C ZINC000158949039 408374131 /nfs/dbraw/zinc/37/41/31/408374131.db2.gz KIKZHRACJSFHQR-ZOBUZTSGSA-N 2 2 319.449 1.515 50 0 DDAALP [NH3+][C@H](Cc1ccccc1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000169676902 408820085 /nfs/dbraw/zinc/82/00/85/408820085.db2.gz OZYCLHNIDOOQBJ-MRXNPFEDSA-N 2 2 310.401 1.300 50 0 DDAALP OCC[C@H]1CC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000408521871 418807610 /nfs/dbraw/zinc/80/76/10/418807610.db2.gz VYTXAWOBSSKNNO-MRXNPFEDSA-N 2 2 304.434 1.723 50 0 DDAALP OCC[C@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000408521871 418807612 /nfs/dbraw/zinc/80/76/12/418807612.db2.gz VYTXAWOBSSKNNO-MRXNPFEDSA-N 2 2 304.434 1.723 50 0 DDAALP c1ccc([C@H](C[NH2+][C@@H]2C[NH+]3CCC2CC3)N2CCOCC2)cc1 ZINC000096013555 304856031 /nfs/dbraw/zinc/85/60/31/304856031.db2.gz QDDHRSHRUMNLHN-MOPGFXCFSA-N 2 2 315.461 1.744 50 0 DDAALP C(c1noc(C2CCCC2)n1)[NH+]1CCC2(CC1)C[NH2+]CCO2 ZINC000534663397 334323048 /nfs/dbraw/zinc/32/30/48/334323048.db2.gz BROJDUXLBNIHGO-UHFFFAOYSA-N 2 2 306.410 1.682 50 0 DDAALP COCCc1noc([C@@H]2CCC[N@H+](Cc3c[nH+]c(C)[nH]3)C2)n1 ZINC000670454140 484839781 /nfs/dbraw/zinc/83/97/81/484839781.db2.gz VDTYXRQEIOTRKO-GFCCVEGCSA-N 2 2 305.382 1.670 50 0 DDAALP COCCc1noc([C@@H]2CCC[N@@H+](Cc3c[nH+]c(C)[nH]3)C2)n1 ZINC000670454140 484839790 /nfs/dbraw/zinc/83/97/90/484839790.db2.gz VDTYXRQEIOTRKO-GFCCVEGCSA-N 2 2 305.382 1.670 50 0 DDAALP [NH3+][C@H]1CCCN(C(=O)c2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000158545619 527400883 /nfs/dbraw/zinc/40/08/83/527400883.db2.gz MHQFEWOSEHIYRD-INIZCTEOSA-N 2 2 303.406 1.082 50 0 DDAALP O=C(NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1)c1ccn2c[nH+]cc2c1 ZINC000095446918 185367877 /nfs/dbraw/zinc/36/78/77/185367877.db2.gz GJKMBAKKZPYBFM-ZBFHGGJFSA-N 2 2 314.389 1.317 50 0 DDAALP O=C(NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1)c1ccn2c[nH+]cc2c1 ZINC000095446918 185367878 /nfs/dbraw/zinc/36/78/78/185367878.db2.gz GJKMBAKKZPYBFM-ZBFHGGJFSA-N 2 2 314.389 1.317 50 0 DDAALP CC(C)[C@H](C(=O)N[C@H]1CCc2[nH+]ccn2C1)[NH+]1CCCCC1 ZINC000072273713 353195598 /nfs/dbraw/zinc/19/55/98/353195598.db2.gz RUQBTRQUVJVNLH-GOEBONIOSA-N 2 2 304.438 1.825 50 0 DDAALP C[C@@H](CC(=O)N1CCC(C[NH+]2CCOCC2)CC1)n1cc[nH+]c1 ZINC000091664637 193087164 /nfs/dbraw/zinc/08/71/64/193087164.db2.gz VXLHKIOFBOXYQF-HNNXBMFYSA-N 2 2 320.437 1.405 50 0 DDAALP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC000043303940 183353008 /nfs/dbraw/zinc/35/30/08/183353008.db2.gz FNNGTHKJYARVKK-OAHLLOKOSA-N 2 2 301.434 1.597 50 0 DDAALP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)CC1 ZINC000043303940 183353010 /nfs/dbraw/zinc/35/30/10/183353010.db2.gz FNNGTHKJYARVKK-OAHLLOKOSA-N 2 2 301.434 1.597 50 0 DDAALP Cc1ccoc1C(=O)N[C@H]1CCC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000011944642 406834706 /nfs/dbraw/zinc/83/47/06/406834706.db2.gz ILFDCPKZBDJMOJ-AWEZNQCLSA-N 2 2 305.422 1.876 50 0 DDAALP Cc1ccoc1C(=O)N[C@H]1CCC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000011944642 406834710 /nfs/dbraw/zinc/83/47/10/406834710.db2.gz ILFDCPKZBDJMOJ-AWEZNQCLSA-N 2 2 305.422 1.876 50 0 DDAALP Cc1nc(N2CCN(C[C@@H]3CCC[N@@H+](C)C3)CC2)c(C)c(C)[nH+]1 ZINC000092019361 407185951 /nfs/dbraw/zinc/18/59/51/407185951.db2.gz ZXFBMOKANDFAJK-QGZVFWFLSA-N 2 2 317.481 1.866 50 0 DDAALP Cc1nc(N2CCN(C[C@@H]3CCC[N@H+](C)C3)CC2)c(C)c(C)[nH+]1 ZINC000092019361 407185954 /nfs/dbraw/zinc/18/59/54/407185954.db2.gz ZXFBMOKANDFAJK-QGZVFWFLSA-N 2 2 317.481 1.866 50 0 DDAALP CC(C)[N@H+](C)C[C@@H]1CCCN(c2[nH+]cnc3c2cnn3C)C1 ZINC000065434360 407243245 /nfs/dbraw/zinc/24/32/45/407243245.db2.gz MSKNCAOOWUHDLH-ZDUSSCGKSA-N 2 2 302.426 1.920 50 0 DDAALP CC(C)[N@@H+](C)C[C@@H]1CCCN(c2[nH+]cnc3c2cnn3C)C1 ZINC000065434360 407243248 /nfs/dbraw/zinc/24/32/48/407243248.db2.gz MSKNCAOOWUHDLH-ZDUSSCGKSA-N 2 2 302.426 1.920 50 0 DDAALP CS(=O)(=O)c1ccc(-c2[nH+]ccn2CCn2cc[nH+]c2)cc1 ZINC000067726612 407282437 /nfs/dbraw/zinc/28/24/37/407282437.db2.gz IAJYNQHZHCJVBC-UHFFFAOYSA-N 2 2 316.386 1.850 50 0 DDAALP Cc1nn(CCO)c(C)c1C[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000097159853 407284328 /nfs/dbraw/zinc/28/43/28/407284328.db2.gz UITROVKOBQFKLN-UHFFFAOYSA-N 2 2 317.437 1.357 50 0 DDAALP COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@@H]([NH3+])C(C)C)CC2)c1 ZINC000195543804 407464643 /nfs/dbraw/zinc/46/46/43/407464643.db2.gz PVSZLOLQVOLVOM-YOEHRIQHSA-N 2 2 319.449 1.884 50 0 DDAALP Cc1cn2c([nH+]1)CC[C@@H]([NH2+]C1CN(C(=O)OC(C)(C)C)C1)C2 ZINC000170603083 407448523 /nfs/dbraw/zinc/44/85/23/407448523.db2.gz XWOLXRHJFUBODL-GFCCVEGCSA-N 2 2 306.410 1.715 50 0 DDAALP C[NH+](C)Cc1cnc(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)s1 ZINC000241776760 407912242 /nfs/dbraw/zinc/91/22/42/407912242.db2.gz RSFSCGHFAPOKDX-STQMWFEESA-N 2 2 313.492 1.911 50 0 DDAALP C[NH+](C)Cc1cnc(C[N@H+]2CCS[C@H]3COCC[C@@H]32)s1 ZINC000241776760 407912246 /nfs/dbraw/zinc/91/22/46/407912246.db2.gz RSFSCGHFAPOKDX-STQMWFEESA-N 2 2 313.492 1.911 50 0 DDAALP CO[C@H]1C[NH+](C[C@H](O)C[N@@H+]2CC[C@H](C)[C@H](OC)C2)CC[C@@H]1C ZINC000248734694 408627402 /nfs/dbraw/zinc/62/74/02/408627402.db2.gz MKRAFFRSKJUYER-QUSNUVHPSA-N 2 2 314.470 1.061 50 0 DDAALP CO[C@H]1C[NH+](C[C@H](O)C[N@H+]2CC[C@H](C)[C@H](OC)C2)CC[C@@H]1C ZINC000248734694 408627407 /nfs/dbraw/zinc/62/74/07/408627407.db2.gz MKRAFFRSKJUYER-QUSNUVHPSA-N 2 2 314.470 1.061 50 0 DDAALP CO[C@H]1C[N@H+](C[C@H](O)C[NH+]2CC[C@H](C)[C@H](OC)C2)CC[C@@H]1C ZINC000248734694 408627413 /nfs/dbraw/zinc/62/74/13/408627413.db2.gz MKRAFFRSKJUYER-QUSNUVHPSA-N 2 2 314.470 1.061 50 0 DDAALP CO[C@H]1C[N@@H+](C[C@H](O)C[NH+]2CC[C@H](C)[C@H](OC)C2)CC[C@@H]1C ZINC000248734694 408627415 /nfs/dbraw/zinc/62/74/15/408627415.db2.gz MKRAFFRSKJUYER-QUSNUVHPSA-N 2 2 314.470 1.061 50 0 DDAALP C[C@@H]1C[C@H](NC[C@H]2C[C@H](O)C[NH+]2Cc2ccccc2)C[N@@H+]1C ZINC000245344193 222215436 /nfs/dbraw/zinc/21/54/36/222215436.db2.gz XZZBGJNNIZOVPK-SPUZQDLCSA-N 2 2 303.450 1.304 50 0 DDAALP C[C@@H]1C[C@H](NC[C@H]2C[C@H](O)C[NH+]2Cc2ccccc2)C[N@H+]1C ZINC000245344193 222215438 /nfs/dbraw/zinc/21/54/38/222215438.db2.gz XZZBGJNNIZOVPK-SPUZQDLCSA-N 2 2 303.450 1.304 50 0 DDAALP C[C@@H]1C[C@H](NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)C[NH+]1C ZINC000245344193 222215441 /nfs/dbraw/zinc/21/54/41/222215441.db2.gz XZZBGJNNIZOVPK-SPUZQDLCSA-N 2 2 303.450 1.304 50 0 DDAALP C[C@@H]1C[C@H](NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)C[NH+]1C ZINC000245344193 222215442 /nfs/dbraw/zinc/21/54/42/222215442.db2.gz XZZBGJNNIZOVPK-SPUZQDLCSA-N 2 2 303.450 1.304 50 0 DDAALP CCc1nc(N2CC[NH+](C[C@@H]3CCC[N@H+](C)C3)CC2)ncc1C ZINC000426652882 419523207 /nfs/dbraw/zinc/52/32/07/419523207.db2.gz KINZHCBVHILPTE-MRXNPFEDSA-N 2 2 317.481 1.811 50 0 DDAALP CCc1nc(N2CC[NH+](C[C@@H]3CCC[N@@H+](C)C3)CC2)ncc1C ZINC000426652882 419523216 /nfs/dbraw/zinc/52/32/16/419523216.db2.gz KINZHCBVHILPTE-MRXNPFEDSA-N 2 2 317.481 1.811 50 0 DDAALP COCC[N@H+]1[C@H](C)CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@@H]1C ZINC000221957362 277228057 /nfs/dbraw/zinc/22/80/57/277228057.db2.gz COJADGMKOZRYQN-ZNMIVQPWSA-N 2 2 320.437 1.013 50 0 DDAALP COCC[N@@H+]1[C@H](C)CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@@H]1C ZINC000221957362 277228058 /nfs/dbraw/zinc/22/80/58/277228058.db2.gz COJADGMKOZRYQN-ZNMIVQPWSA-N 2 2 320.437 1.013 50 0 DDAALP C[C@](O)(C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1)C(F)(F)F ZINC000253396522 280141981 /nfs/dbraw/zinc/14/19/81/280141981.db2.gz IIRHUJZVOHJTSX-STQMWFEESA-N 2 2 310.360 1.344 50 0 DDAALP C[C@](O)(C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1)C(F)(F)F ZINC000253396522 280141984 /nfs/dbraw/zinc/14/19/84/280141984.db2.gz IIRHUJZVOHJTSX-STQMWFEESA-N 2 2 310.360 1.344 50 0 DDAALP Cc1[nH+]c(CN2CCC[C@H](C[NH+]3CCOCC3)C2)n(C)c1C ZINC000670470545 484850093 /nfs/dbraw/zinc/85/00/93/484850093.db2.gz QRVNPJQOAALAQR-MRXNPFEDSA-N 2 2 306.454 1.581 50 0 DDAALP