smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1ncccc1C[NH2+]Cc1cc(C2CC[NH2+]CC2)no1 ZINC000425900263 230762300 /nfs/dbraw/zinc/76/23/00/230762300.db2.gz NGBDCMROYHOBLQ-UHFFFAOYSA-N 2 2 316.405 2.225 10 0 DEAELP Cc1[nH+]ccn1CC[NH+]1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000077121753 185111050 /nfs/dbraw/zinc/11/10/50/185111050.db2.gz HCTPUYIBSJRVHZ-UHFFFAOYSA-N 2 2 320.387 2.288 10 0 DEAELP CC(C)(C)OC(=O)NCC[NH+]1CCC(c2ccc[nH+]c2N)CC1 ZINC000616608490 362897828 /nfs/dbraw/zinc/89/78/28/362897828.db2.gz AHBJABOGRMLGFI-UHFFFAOYSA-N 2 2 320.437 2.368 10 0 DEAELP CC[C@@H]([NH3+])[C@@H](c1ccc(Cl)cc1)[N@H+](CCO)CCOC ZINC000164208139 186152107 /nfs/dbraw/zinc/15/21/07/186152107.db2.gz OYHWDFADXLVBNN-HUUCEWRRSA-N 2 2 300.830 2.059 10 0 DEAELP CC[C@@H]([NH3+])[C@@H](c1ccc(Cl)cc1)[N@@H+](CCO)CCOC ZINC000164208139 186152109 /nfs/dbraw/zinc/15/21/09/186152109.db2.gz OYHWDFADXLVBNN-HUUCEWRRSA-N 2 2 300.830 2.059 10 0 DEAELP CC[NH+](CC)[C@@H](C)CNC(=O)NCc1[nH+]ccn1CC(C)C ZINC000073654236 191336404 /nfs/dbraw/zinc/33/64/04/191336404.db2.gz YBGOWTRBBYPIPJ-AWEZNQCLSA-N 2 2 309.458 2.069 10 0 DEAELP Cc1ncsc1C[NH+]1CC(c2noc([C@H]3CCC[N@H+]3C)n2)C1 ZINC000169791488 355985090 /nfs/dbraw/zinc/98/50/90/355985090.db2.gz ZKQMLOHWDPVYNR-GFCCVEGCSA-N 2 2 319.434 2.201 10 0 DEAELP Cc1ncsc1C[NH+]1CC(c2noc([C@H]3CCC[N@@H+]3C)n2)C1 ZINC000169791488 355985095 /nfs/dbraw/zinc/98/50/95/355985095.db2.gz ZKQMLOHWDPVYNR-GFCCVEGCSA-N 2 2 319.434 2.201 10 0 DEAELP C[C@H]([NH2+]CCc1cn(C)c[nH+]1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400796197 283158671 /nfs/dbraw/zinc/15/86/71/283158671.db2.gz SWMJRLLBHYGGRD-KBPBESRZSA-N 2 2 322.453 2.198 10 0 DEAELP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccccc1N(C)C ZINC000179403674 199029150 /nfs/dbraw/zinc/02/91/50/199029150.db2.gz SPOKPVFTGUVNMX-CVEARBPZSA-N 2 2 305.466 2.250 10 0 DEAELP Cn1c[nH+]cc1[C@H]1C[C@H]([NH2+]Cc2cccc3c2OCO3)CCO1 ZINC000275399920 212309734 /nfs/dbraw/zinc/30/97/34/212309734.db2.gz CLEHTMPPIBJAKN-CZUORRHYSA-N 2 2 315.373 2.159 10 0 DEAELP CC(C)[N@H+](Cc1cccs1)[C@H](C[NH3+])CC(=O)N1CCCC1 ZINC000091323430 193040772 /nfs/dbraw/zinc/04/07/72/193040772.db2.gz ZZZXTPSYMLSHQK-AWEZNQCLSA-N 2 2 309.479 2.298 10 0 DEAELP CC(C)[N@@H+](Cc1cccs1)[C@H](C[NH3+])CC(=O)N1CCCC1 ZINC000091323430 193040774 /nfs/dbraw/zinc/04/07/74/193040774.db2.gz ZZZXTPSYMLSHQK-AWEZNQCLSA-N 2 2 309.479 2.298 10 0 DEAELP CC[NH2+][C@@H](CCCS(C)(=O)=O)C1([NH+]2CCCC2)CCCC1 ZINC000091641219 193083433 /nfs/dbraw/zinc/08/34/33/193083433.db2.gz PPNCNYUTDWZYQS-HNNXBMFYSA-N 2 2 316.511 2.198 10 0 DEAELP CCS(=O)(=O)CCC[C@H]([NH3+])C1([NH+]2CCCCC2)CCCC1 ZINC000091641812 193082768 /nfs/dbraw/zinc/08/27/68/193082768.db2.gz SWJXHKNJDUPYEL-HNNXBMFYSA-N 2 2 316.511 2.327 10 0 DEAELP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]C[C@@H]1COCCO1 ZINC000450750697 242176369 /nfs/dbraw/zinc/17/63/69/242176369.db2.gz BRXGNDXCAOUBBF-QZTJIDSGSA-N 2 2 306.450 2.148 10 0 DEAELP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C[C@@H]1COCCO1 ZINC000450750697 242176376 /nfs/dbraw/zinc/17/63/76/242176376.db2.gz BRXGNDXCAOUBBF-QZTJIDSGSA-N 2 2 306.450 2.148 10 0 DEAELP COc1c(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c(C)nn1C ZINC000093683684 193288605 /nfs/dbraw/zinc/28/86/05/193288605.db2.gz QPGVOBIXJKPCAC-OAHLLOKOSA-N 2 2 306.454 2.045 10 0 DEAELP COc1c(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c(C)nn1C ZINC000093683684 193288607 /nfs/dbraw/zinc/28/86/07/193288607.db2.gz QPGVOBIXJKPCAC-OAHLLOKOSA-N 2 2 306.454 2.045 10 0 DEAELP CCC[NH2+][C@@H]1CCCc2sc([C@H]3C[N@H+](C)CCN3C)nc21 ZINC000093896271 193324890 /nfs/dbraw/zinc/32/48/90/193324890.db2.gz PRMZQGUWIPVGMH-CHWSQXEVSA-N 2 2 308.495 2.438 10 0 DEAELP CCC[NH2+][C@@H]1CCCc2sc([C@H]3C[N@@H+](C)CCN3C)nc21 ZINC000093896271 193324892 /nfs/dbraw/zinc/32/48/92/193324892.db2.gz PRMZQGUWIPVGMH-CHWSQXEVSA-N 2 2 308.495 2.438 10 0 DEAELP C[NH2+][C@H]1[C@H](C[NH+]2CCN(c3nccs3)CC2)CCC1(C)C ZINC000094315990 193359453 /nfs/dbraw/zinc/35/94/53/193359453.db2.gz SKPZDFSHAIAGIO-KBPBESRZSA-N 2 2 308.495 2.289 10 0 DEAELP CC[C@H]([NH3+])[C@@H](c1ccc(C)s1)[N@@H+]1CCCN(C(C)=O)CC1 ZINC000043243203 183346602 /nfs/dbraw/zinc/34/66/02/183346602.db2.gz MYBGKHJDCJVHNM-HOCLYGCPSA-N 2 2 309.479 2.389 10 0 DEAELP CC[C@H]([NH3+])[C@@H](c1ccc(C)s1)[N@H+]1CCCN(C(C)=O)CC1 ZINC000043243203 183346605 /nfs/dbraw/zinc/34/66/05/183346605.db2.gz MYBGKHJDCJVHNM-HOCLYGCPSA-N 2 2 309.479 2.389 10 0 DEAELP COc1cc(C[N@H+](C)[C@@H]2CCC[NH2+]C2)ccc1OC(F)F ZINC000110928747 194371204 /nfs/dbraw/zinc/37/12/04/194371204.db2.gz VUEBFVONCPWTIU-GFCCVEGCSA-N 2 2 300.349 2.480 10 0 DEAELP COc1cc(C[N@@H+](C)[C@@H]2CCC[NH2+]C2)ccc1OC(F)F ZINC000110928747 194371206 /nfs/dbraw/zinc/37/12/06/194371206.db2.gz VUEBFVONCPWTIU-GFCCVEGCSA-N 2 2 300.349 2.480 10 0 DEAELP COCCC[N@H+](C)[C@@H](C[NH3+])c1cc2c(c(Cl)c1)OCO2 ZINC000062029707 184202251 /nfs/dbraw/zinc/20/22/51/184202251.db2.gz IWQVAEFRSILOFQ-LBPRGKRZSA-N 2 2 300.786 2.037 10 0 DEAELP COCCC[N@@H+](C)[C@@H](C[NH3+])c1cc2c(c(Cl)c1)OCO2 ZINC000062029707 184202252 /nfs/dbraw/zinc/20/22/52/184202252.db2.gz IWQVAEFRSILOFQ-LBPRGKRZSA-N 2 2 300.786 2.037 10 0 DEAELP [NH3+]C[C@H](c1ccccc1Br)N1CCn2cc[nH+]c2C1 ZINC000062246031 184225211 /nfs/dbraw/zinc/22/52/11/184225211.db2.gz KIPLGUFWJKYZSI-CYBMUJFWSA-N 2 2 321.222 2.161 10 0 DEAELP C[N@@H+]1CCC[C@H]2C[NH+](Cc3nc(-c4ccoc4)no3)CC[C@@H]21 ZINC000158758528 197298869 /nfs/dbraw/zinc/29/88/69/197298869.db2.gz GGOVKTKOQULNBC-JSGCOSHPSA-N 2 2 302.378 2.246 10 0 DEAELP C[N@H+]1CCC[C@H]2C[NH+](Cc3nc(-c4ccoc4)no3)CC[C@@H]21 ZINC000158758528 197298870 /nfs/dbraw/zinc/29/88/70/197298870.db2.gz GGOVKTKOQULNBC-JSGCOSHPSA-N 2 2 302.378 2.246 10 0 DEAELP C[NH+]1CCC[C@H]2C[N@H+](Cc3nc(-c4ccoc4)no3)CC[C@@H]21 ZINC000158758528 197298873 /nfs/dbraw/zinc/29/88/73/197298873.db2.gz GGOVKTKOQULNBC-JSGCOSHPSA-N 2 2 302.378 2.246 10 0 DEAELP C[NH+]1CCC[C@H]2C[N@@H+](Cc3nc(-c4ccoc4)no3)CC[C@@H]21 ZINC000158758528 197298875 /nfs/dbraw/zinc/29/88/75/197298875.db2.gz GGOVKTKOQULNBC-JSGCOSHPSA-N 2 2 302.378 2.246 10 0 DEAELP c1ccc(C[N@H+]2C[C@@H]3OC[C@H](CNc4cccc[nH+]4)[C@@H]3C2)nc1 ZINC000248123099 257108292 /nfs/dbraw/zinc/10/82/92/257108292.db2.gz VVDROCJOTBOSNZ-XIRDDKMYSA-N 2 2 310.401 2.036 10 0 DEAELP c1ccc(C[N@@H+]2C[C@@H]3OC[C@H](CNc4cccc[nH+]4)[C@@H]3C2)nc1 ZINC000248123099 257108293 /nfs/dbraw/zinc/10/82/93/257108293.db2.gz VVDROCJOTBOSNZ-XIRDDKMYSA-N 2 2 310.401 2.036 10 0 DEAELP c1csc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccncc4)C[C@@H]3C2)n1 ZINC000247840307 257116603 /nfs/dbraw/zinc/11/66/03/257116603.db2.gz PLOLVINQEUXICS-JKSUJKDBSA-N 2 2 314.458 2.492 10 0 DEAELP c1csc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccncc4)C[C@@H]3C2)n1 ZINC000247840307 257116605 /nfs/dbraw/zinc/11/66/05/257116605.db2.gz PLOLVINQEUXICS-JKSUJKDBSA-N 2 2 314.458 2.492 10 0 DEAELP c1csc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccncc4)C[C@@H]3C2)n1 ZINC000247840307 257116606 /nfs/dbraw/zinc/11/66/06/257116606.db2.gz PLOLVINQEUXICS-JKSUJKDBSA-N 2 2 314.458 2.492 10 0 DEAELP c1csc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccncc4)C[C@@H]3C2)n1 ZINC000247840307 257116608 /nfs/dbraw/zinc/11/66/08/257116608.db2.gz PLOLVINQEUXICS-JKSUJKDBSA-N 2 2 314.458 2.492 10 0 DEAELP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)c2nnnn2C)cc1 ZINC000189858839 145035482 /nfs/dbraw/zinc/03/54/82/145035482.db2.gz NCWMLXFGINZUFK-VXGBXAGGSA-N 2 2 311.393 2.116 10 0 DEAELP CSc1ccc(NC(=O)[C@@H](C)[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1 ZINC000193634692 145087647 /nfs/dbraw/zinc/08/76/47/145087647.db2.gz MLSYHRHOVHYGLQ-MCIONIFRSA-N 2 2 319.474 2.229 10 0 DEAELP CSc1ccc(NC(=O)[C@@H](C)[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1 ZINC000193634692 145087648 /nfs/dbraw/zinc/08/76/48/145087648.db2.gz MLSYHRHOVHYGLQ-MCIONIFRSA-N 2 2 319.474 2.229 10 0 DEAELP CSc1ccc(NC(=O)[C@@H](C)[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cc1 ZINC000193634692 145087649 /nfs/dbraw/zinc/08/76/49/145087649.db2.gz MLSYHRHOVHYGLQ-MCIONIFRSA-N 2 2 319.474 2.229 10 0 DEAELP CSc1ccc(NC(=O)[C@@H](C)[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cc1 ZINC000193634692 145087650 /nfs/dbraw/zinc/08/76/50/145087650.db2.gz MLSYHRHOVHYGLQ-MCIONIFRSA-N 2 2 319.474 2.229 10 0 DEAELP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cn(C)nc2C(F)(F)F)[C@@H](C)C1 ZINC000246376010 145100959 /nfs/dbraw/zinc/10/09/59/145100959.db2.gz JQYRYQTWYAMMRG-CMPLNLGQSA-N 2 2 304.360 2.259 10 0 DEAELP CC[N@H+]1CC[C@@H]([NH2+]Cc2cn(C)nc2C(F)(F)F)[C@@H](C)C1 ZINC000246376010 145100961 /nfs/dbraw/zinc/10/09/61/145100961.db2.gz JQYRYQTWYAMMRG-CMPLNLGQSA-N 2 2 304.360 2.259 10 0 DEAELP C[C@H](C1CC1)N(C(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1)C1CC1 ZINC000246595963 145108452 /nfs/dbraw/zinc/10/84/52/145108452.db2.gz GBMWHAAOILMOKO-CKEIUWERSA-N 2 2 307.482 2.190 10 0 DEAELP C[C@H](C1CC1)N(C(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1)C1CC1 ZINC000246595963 145108453 /nfs/dbraw/zinc/10/84/53/145108453.db2.gz GBMWHAAOILMOKO-CKEIUWERSA-N 2 2 307.482 2.190 10 0 DEAELP C[C@H](C1CC1)N(C(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1)C1CC1 ZINC000246595963 145108454 /nfs/dbraw/zinc/10/84/54/145108454.db2.gz GBMWHAAOILMOKO-CKEIUWERSA-N 2 2 307.482 2.190 10 0 DEAELP C[C@H](C1CC1)N(C(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)C1CC1 ZINC000246595963 145108455 /nfs/dbraw/zinc/10/84/55/145108455.db2.gz GBMWHAAOILMOKO-CKEIUWERSA-N 2 2 307.482 2.190 10 0 DEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@@H](O)COc1ccccc1 ZINC000247088142 145126511 /nfs/dbraw/zinc/12/65/11/145126511.db2.gz PQHHMPKESOHVEG-IAGOWNOFSA-N 2 2 315.417 2.096 10 0 DEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@@H](O)COc1ccccc1 ZINC000247088142 145126512 /nfs/dbraw/zinc/12/65/12/145126512.db2.gz PQHHMPKESOHVEG-IAGOWNOFSA-N 2 2 315.417 2.096 10 0 DEAELP CCOc1ccc(NC(=O)C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000261808194 145228838 /nfs/dbraw/zinc/22/88/38/145228838.db2.gz VLWPKLJDWKMEKY-XYPWUTKMSA-N 2 2 317.433 2.239 10 0 DEAELP CCOc1ccc(NC(=O)C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000261808194 145228840 /nfs/dbraw/zinc/22/88/40/145228840.db2.gz VLWPKLJDWKMEKY-XYPWUTKMSA-N 2 2 317.433 2.239 10 0 DEAELP CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)CC[C@@H]1CC[NH2+]C1)C2 ZINC000261814414 145229678 /nfs/dbraw/zinc/22/96/78/145229678.db2.gz MCQIMTSDJDOYAD-ZIAGYGMSSA-N 2 2 318.465 2.001 10 0 DEAELP [NH3+][C@@H]1CCC[C@H]1CC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000261856993 145234363 /nfs/dbraw/zinc/23/43/63/145234363.db2.gz WLEIBEGWPGEAIR-DLBZAZTESA-N 2 2 312.417 2.065 10 0 DEAELP C[C@@H]([NH3+])CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000261858358 145234472 /nfs/dbraw/zinc/23/44/72/145234472.db2.gz PLXRHIDIGVAKFD-OLZOCXBDSA-N 2 2 309.841 2.283 10 0 DEAELP C[C@@H](C(=O)Nc1ccc(Cl)cn1)[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261886292 145237873 /nfs/dbraw/zinc/23/78/73/145237873.db2.gz VDBROJKLYIUWMX-CMPLNLGQSA-N 2 2 310.829 2.121 10 0 DEAELP C[C@@H](C(=O)Nc1ccc(Cl)cn1)[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261886292 145237875 /nfs/dbraw/zinc/23/78/75/145237875.db2.gz VDBROJKLYIUWMX-CMPLNLGQSA-N 2 2 310.829 2.121 10 0 DEAELP COc1ccc(C)cc1NC(=O)[C@H](C)[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261925041 145242560 /nfs/dbraw/zinc/24/25/60/145242560.db2.gz ZDWYQLVYRFYWNC-BBRMVZONSA-N 2 2 319.449 2.390 10 0 DEAELP COc1ccc(C)cc1NC(=O)[C@H](C)[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261925041 145242562 /nfs/dbraw/zinc/24/25/62/145242562.db2.gz ZDWYQLVYRFYWNC-BBRMVZONSA-N 2 2 319.449 2.390 10 0 DEAELP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CC[C@H]([NH3+])C(C)(C)C2)c1 ZINC000262058146 145257896 /nfs/dbraw/zinc/25/78/96/145257896.db2.gz RLWAUJIRMIOPQC-INIZCTEOSA-N 2 2 312.417 2.380 10 0 DEAELP Cc1ccc(N2CC[C@H]([N@@H+]3CC[C@@H]([NH3+])C(C)(C)C3)C2=O)cc1 ZINC000261741065 292138445 /nfs/dbraw/zinc/13/84/45/292138445.db2.gz KMWMHSWAVTWPEJ-JKSUJKDBSA-N 2 2 301.434 2.160 10 0 DEAELP Cc1ccc(N2CC[C@H]([N@H+]3CC[C@@H]([NH3+])C(C)(C)C3)C2=O)cc1 ZINC000261741065 292138446 /nfs/dbraw/zinc/13/84/46/292138446.db2.gz KMWMHSWAVTWPEJ-JKSUJKDBSA-N 2 2 301.434 2.160 10 0 DEAELP c1cn(-c2ccc(C[NH2+][C@@H]3CCO[C@@]4(CCOC4)C3)cc2)c[nH+]1 ZINC000371402021 148098770 /nfs/dbraw/zinc/09/87/70/148098770.db2.gz UGXZZDTXMUCFDO-AEFFLSMTSA-N 2 2 313.401 2.300 10 0 DEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000074535516 401741420 /nfs/dbraw/zinc/74/14/20/401741420.db2.gz ZLOHUPXCKGKSJT-OAHLLOKOSA-N 2 2 321.469 2.021 10 0 DEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000074535516 401741423 /nfs/dbraw/zinc/74/14/23/401741423.db2.gz ZLOHUPXCKGKSJT-OAHLLOKOSA-N 2 2 321.469 2.021 10 0 DEAELP CN1C(=O)C[C@H]([NH2+]C2CC[NH+](C)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000090968670 401990034 /nfs/dbraw/zinc/99/00/34/401990034.db2.gz KGRNWMGBGKSKPD-DOTOQJQBSA-N 2 2 321.852 2.296 10 0 DEAELP COc1ccc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)c(F)c1 ZINC000151255815 402026288 /nfs/dbraw/zinc/02/62/88/402026288.db2.gz WFFXYGMDUUHWFR-KBPBESRZSA-N 2 2 310.413 2.332 10 0 DEAELP COc1ccc([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)c(F)c1 ZINC000151255952 402026382 /nfs/dbraw/zinc/02/63/82/402026382.db2.gz WFFXYGMDUUHWFR-UONOGXRCSA-N 2 2 310.413 2.332 10 0 DEAELP COc1ccc2c(c1)[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)CC2 ZINC000151273331 402026938 /nfs/dbraw/zinc/02/69/38/402026938.db2.gz LSWRRADQHHKCFR-MAUKXSAKSA-N 2 2 304.434 2.119 10 0 DEAELP COc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)cc1F ZINC000151272834 402026987 /nfs/dbraw/zinc/02/69/87/402026987.db2.gz AZAIPVBRJRFXKG-UKRRQHHQSA-N 2 2 310.413 2.332 10 0 DEAELP O[C@@H](C[NH2+][C@H]1CCCOc2ccc(F)cc21)C[NH+]1CCCCC1 ZINC000151265735 402027011 /nfs/dbraw/zinc/02/70/11/402027011.db2.gz OXIRZMHPOXTCHU-RDJZCZTQSA-N 2 2 322.424 2.476 10 0 DEAELP COc1ccc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)c(OC)c1 ZINC000151324392 402029562 /nfs/dbraw/zinc/02/95/62/402029562.db2.gz DAERQODRIWURSF-CABCVRRESA-N 2 2 322.449 2.201 10 0 DEAELP C[C@@H](C(=O)N1CCCCCC1)[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000051952314 402038107 /nfs/dbraw/zinc/03/81/07/402038107.db2.gz DMVDJRMSWDXUPL-INIZCTEOSA-N 2 2 307.482 2.338 10 0 DEAELP C[C@@H]1C[C@@H]([NH+](C)CC(=O)N2CCCc3ccccc32)CC[N@@H+]1C ZINC000123022873 402106353 /nfs/dbraw/zinc/10/63/53/402106353.db2.gz UQKAEYMQFBIYOZ-WBVHZDCISA-N 2 2 315.461 2.380 10 0 DEAELP C[C@@H]1C[C@@H]([NH+](C)CC(=O)N2CCCc3ccccc32)CC[N@H+]1C ZINC000123022873 402106355 /nfs/dbraw/zinc/10/63/55/402106355.db2.gz UQKAEYMQFBIYOZ-WBVHZDCISA-N 2 2 315.461 2.380 10 0 DEAELP C[C@@H]1C[C@@H]([N@H+](C)CC(=O)N2CCCc3ccccc32)CC[NH+]1C ZINC000123022873 402106358 /nfs/dbraw/zinc/10/63/58/402106358.db2.gz UQKAEYMQFBIYOZ-WBVHZDCISA-N 2 2 315.461 2.380 10 0 DEAELP C[C@@H]1C[C@@H]([N@@H+](C)CC(=O)N2CCCc3ccccc32)CC[NH+]1C ZINC000123022873 402106361 /nfs/dbraw/zinc/10/63/61/402106361.db2.gz UQKAEYMQFBIYOZ-WBVHZDCISA-N 2 2 315.461 2.380 10 0 DEAELP C[C@H]1C[C@@H]([NH+](C)CC(=O)N(C)CC2CCCCC2)CC[N@@H+]1C ZINC000123113493 402111331 /nfs/dbraw/zinc/11/13/31/402111331.db2.gz XJQVZYAQPIQZCP-RDJZCZTQSA-N 2 2 309.498 2.440 10 0 DEAELP C[C@H]1C[C@@H]([NH+](C)CC(=O)N(C)CC2CCCCC2)CC[N@H+]1C ZINC000123113493 402111335 /nfs/dbraw/zinc/11/13/35/402111335.db2.gz XJQVZYAQPIQZCP-RDJZCZTQSA-N 2 2 309.498 2.440 10 0 DEAELP C[C@H]1C[C@@H]([N@H+](C)CC(=O)N(C)CC2CCCCC2)CC[NH+]1C ZINC000123113493 402111338 /nfs/dbraw/zinc/11/13/38/402111338.db2.gz XJQVZYAQPIQZCP-RDJZCZTQSA-N 2 2 309.498 2.440 10 0 DEAELP C[C@H]1C[C@@H]([N@@H+](C)CC(=O)N(C)CC2CCCCC2)CC[NH+]1C ZINC000123113493 402111341 /nfs/dbraw/zinc/11/13/41/402111341.db2.gz XJQVZYAQPIQZCP-RDJZCZTQSA-N 2 2 309.498 2.440 10 0 DEAELP C[C@@H](C1CC1)N(C(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1)C1CC1 ZINC000123249143 402118337 /nfs/dbraw/zinc/11/83/37/402118337.db2.gz GBMWHAAOILMOKO-JKIFEVAISA-N 2 2 307.482 2.190 10 0 DEAELP C[C@@H](C1CC1)N(C(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1)C1CC1 ZINC000123249143 402118340 /nfs/dbraw/zinc/11/83/40/402118340.db2.gz GBMWHAAOILMOKO-JKIFEVAISA-N 2 2 307.482 2.190 10 0 DEAELP C[C@@H](C1CC1)N(C(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1)C1CC1 ZINC000123249143 402118341 /nfs/dbraw/zinc/11/83/41/402118341.db2.gz GBMWHAAOILMOKO-JKIFEVAISA-N 2 2 307.482 2.190 10 0 DEAELP C[C@@H](C1CC1)N(C(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)C1CC1 ZINC000123249143 402118342 /nfs/dbraw/zinc/11/83/42/402118342.db2.gz GBMWHAAOILMOKO-JKIFEVAISA-N 2 2 307.482 2.190 10 0 DEAELP C[C@@H]1C[C@@H]([NH+](C)CC(=O)NCCC2=CCCCC2)CC[N@@H+]1C ZINC000123339162 402122654 /nfs/dbraw/zinc/12/26/54/402122654.db2.gz WKEDNVSNIGFAAN-WBVHZDCISA-N 2 2 307.482 2.408 10 0 DEAELP C[C@@H]1C[C@@H]([NH+](C)CC(=O)NCCC2=CCCCC2)CC[N@H+]1C ZINC000123339162 402122656 /nfs/dbraw/zinc/12/26/56/402122656.db2.gz WKEDNVSNIGFAAN-WBVHZDCISA-N 2 2 307.482 2.408 10 0 DEAELP C[C@@H]1C[C@@H]([N@H+](C)CC(=O)NCCC2=CCCCC2)CC[NH+]1C ZINC000123339162 402122658 /nfs/dbraw/zinc/12/26/58/402122658.db2.gz WKEDNVSNIGFAAN-WBVHZDCISA-N 2 2 307.482 2.408 10 0 DEAELP C[C@@H]1C[C@@H]([N@@H+](C)CC(=O)NCCC2=CCCCC2)CC[NH+]1C ZINC000123339162 402122659 /nfs/dbraw/zinc/12/26/59/402122659.db2.gz WKEDNVSNIGFAAN-WBVHZDCISA-N 2 2 307.482 2.408 10 0 DEAELP Cc1cnn(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000123894318 402153220 /nfs/dbraw/zinc/15/32/20/402153220.db2.gz QMHHBXKYQQGFSJ-WMZOPIPTSA-N 2 2 313.449 2.087 10 0 DEAELP Cc1cnn(CC[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000123894318 402153221 /nfs/dbraw/zinc/15/32/21/402153221.db2.gz QMHHBXKYQQGFSJ-WMZOPIPTSA-N 2 2 313.449 2.087 10 0 DEAELP C[C@H]1C[C@@H]([NH+](C)CC(=O)NCc2cccc(Cl)c2)CC[N@@H+]1C ZINC000123970092 402156922 /nfs/dbraw/zinc/15/69/22/402156922.db2.gz XICZGEKMXVHDAB-BBRMVZONSA-N 2 2 323.868 2.371 10 0 DEAELP C[C@H]1C[C@@H]([NH+](C)CC(=O)NCc2cccc(Cl)c2)CC[N@H+]1C ZINC000123970092 402156926 /nfs/dbraw/zinc/15/69/26/402156926.db2.gz XICZGEKMXVHDAB-BBRMVZONSA-N 2 2 323.868 2.371 10 0 DEAELP C[C@H]1C[C@@H]([N@H+](C)CC(=O)NCc2cccc(Cl)c2)CC[NH+]1C ZINC000123970092 402156928 /nfs/dbraw/zinc/15/69/28/402156928.db2.gz XICZGEKMXVHDAB-BBRMVZONSA-N 2 2 323.868 2.371 10 0 DEAELP C[C@H]1C[C@@H]([N@@H+](C)CC(=O)NCc2cccc(Cl)c2)CC[NH+]1C ZINC000123970092 402156930 /nfs/dbraw/zinc/15/69/30/402156930.db2.gz XICZGEKMXVHDAB-BBRMVZONSA-N 2 2 323.868 2.371 10 0 DEAELP Cc1ncc(C[NH+]2CCN(CC[NH+]3CCC(C)CC3)CC2)s1 ZINC000153795676 402171164 /nfs/dbraw/zinc/17/11/64/402171164.db2.gz KXXOJXRZDVNAJG-UHFFFAOYSA-N 2 2 322.522 2.301 10 0 DEAELP C[C@H]1CCCN1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000176108988 402280258 /nfs/dbraw/zinc/28/02/58/402280258.db2.gz XJPSVPXWHVDQDD-INIZCTEOSA-N 2 2 322.497 2.131 10 0 DEAELP CC(C)C[C@@H](C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000184717156 402294310 /nfs/dbraw/zinc/29/43/10/402294310.db2.gz QKVQYDZYPFUMPQ-OAHLLOKOSA-N 2 2 309.498 2.343 10 0 DEAELP CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc3[nH+]ccn32)C12CCOCC2 ZINC000185670497 402368019 /nfs/dbraw/zinc/36/80/19/402368019.db2.gz CSLFGWRXXMDSSV-HZPDHXFCSA-N 2 2 315.417 2.398 10 0 DEAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2ccccn2)nc[nH+]1 ZINC000177125817 402372538 /nfs/dbraw/zinc/37/25/38/402372538.db2.gz ZFUIQSGNJRGQSW-UONOGXRCSA-N 2 2 312.421 2.233 10 0 DEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(OC)cc2)[C@@H](C)C1 ZINC000245412283 402458109 /nfs/dbraw/zinc/45/81/09/402458109.db2.gz AHNABWBNEGNJAD-YOEHRIQHSA-N 2 2 319.449 2.296 10 0 DEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(OC)cc2)[C@@H](C)C1 ZINC000245412283 402458110 /nfs/dbraw/zinc/45/81/10/402458110.db2.gz AHNABWBNEGNJAD-YOEHRIQHSA-N 2 2 319.449 2.296 10 0 DEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2ccc(OC)cc2)[C@@H](C)C1 ZINC000245412283 402458111 /nfs/dbraw/zinc/45/81/11/402458111.db2.gz AHNABWBNEGNJAD-YOEHRIQHSA-N 2 2 319.449 2.296 10 0 DEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc(OC)cc2)[C@@H](C)C1 ZINC000245412283 402458112 /nfs/dbraw/zinc/45/81/12/402458112.db2.gz AHNABWBNEGNJAD-YOEHRIQHSA-N 2 2 319.449 2.296 10 0 DEAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2nc(-c3ccco3)no2)[C@@H](C)C1 ZINC000245426534 402459167 /nfs/dbraw/zinc/45/91/67/402459167.db2.gz LJTULEBFSJSJII-QWHCGFSZSA-N 2 2 304.394 2.492 10 0 DEAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2nc(-c3ccco3)no2)[C@@H](C)C1 ZINC000245426534 402459169 /nfs/dbraw/zinc/45/91/69/402459169.db2.gz LJTULEBFSJSJII-QWHCGFSZSA-N 2 2 304.394 2.492 10 0 DEAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2nc(-c3ccco3)no2)[C@@H](C)C1 ZINC000245426534 402459171 /nfs/dbraw/zinc/45/91/71/402459171.db2.gz LJTULEBFSJSJII-QWHCGFSZSA-N 2 2 304.394 2.492 10 0 DEAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2nc(-c3ccco3)no2)[C@@H](C)C1 ZINC000245426534 402459172 /nfs/dbraw/zinc/45/91/72/402459172.db2.gz LJTULEBFSJSJII-QWHCGFSZSA-N 2 2 304.394 2.492 10 0 DEAELP CCN(C(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1)c1ccccc1 ZINC000245447891 402461361 /nfs/dbraw/zinc/46/13/61/402461361.db2.gz MLQDKDWIIRHWCG-RDJZCZTQSA-N 2 2 303.450 2.454 10 0 DEAELP CCN(C(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1)c1ccccc1 ZINC000245447891 402461362 /nfs/dbraw/zinc/46/13/62/402461362.db2.gz MLQDKDWIIRHWCG-RDJZCZTQSA-N 2 2 303.450 2.454 10 0 DEAELP CCN(C(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000245447891 402461363 /nfs/dbraw/zinc/46/13/63/402461363.db2.gz MLQDKDWIIRHWCG-RDJZCZTQSA-N 2 2 303.450 2.454 10 0 DEAELP CCN(C(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000245447891 402461364 /nfs/dbraw/zinc/46/13/64/402461364.db2.gz MLQDKDWIIRHWCG-RDJZCZTQSA-N 2 2 303.450 2.454 10 0 DEAELP C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178371581 402491127 /nfs/dbraw/zinc/49/11/27/402491127.db2.gz CLKRBXXXIVQAPY-QGZVFWFLSA-N 2 2 322.412 2.123 10 0 DEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N2C[C@H](C)C[C@H](C)C2)[C@@H](C)C1 ZINC000246440496 402531433 /nfs/dbraw/zinc/53/14/33/402531433.db2.gz DOOSFPZCKZCRRT-YVSFHVDLSA-N 2 2 309.498 2.153 10 0 DEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N2C[C@H](C)C[C@H](C)C2)[C@@H](C)C1 ZINC000246440496 402531436 /nfs/dbraw/zinc/53/14/36/402531436.db2.gz DOOSFPZCKZCRRT-YVSFHVDLSA-N 2 2 309.498 2.153 10 0 DEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N2C[C@H](C)C[C@H](C)C2)[C@@H](C)C1 ZINC000246440496 402531437 /nfs/dbraw/zinc/53/14/37/402531437.db2.gz DOOSFPZCKZCRRT-YVSFHVDLSA-N 2 2 309.498 2.153 10 0 DEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N2C[C@H](C)C[C@H](C)C2)[C@@H](C)C1 ZINC000246440496 402531440 /nfs/dbraw/zinc/53/14/40/402531440.db2.gz DOOSFPZCKZCRRT-YVSFHVDLSA-N 2 2 309.498 2.153 10 0 DEAELP Cc1nn(C)cc1C[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000190489792 402605269 /nfs/dbraw/zinc/60/52/69/402605269.db2.gz JVNJNPOOUAKGIT-KRWDZBQOSA-N 2 2 313.449 2.077 10 0 DEAELP Cc1nn(C)cc1C[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000190489792 402605271 /nfs/dbraw/zinc/60/52/71/402605271.db2.gz JVNJNPOOUAKGIT-KRWDZBQOSA-N 2 2 313.449 2.077 10 0 DEAELP Cc1nn(C)cc1C[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190489792 402605273 /nfs/dbraw/zinc/60/52/73/402605273.db2.gz JVNJNPOOUAKGIT-KRWDZBQOSA-N 2 2 313.449 2.077 10 0 DEAELP Cc1nn(C)cc1C[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000190489792 402605274 /nfs/dbraw/zinc/60/52/74/402605274.db2.gz JVNJNPOOUAKGIT-KRWDZBQOSA-N 2 2 313.449 2.077 10 0 DEAELP Cc1c([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)cnn1C(C)(C)C ZINC000191202978 402650427 /nfs/dbraw/zinc/65/04/27/402650427.db2.gz ZTOLGECSZLSKEW-GOEBONIOSA-N 2 2 322.497 2.444 10 0 DEAELP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1nnc(C2CC2)n1C ZINC000191489115 402673769 /nfs/dbraw/zinc/67/37/69/402673769.db2.gz RXRAVTFKCOCPCH-UHFFFAOYSA-N 2 2 316.453 2.364 10 0 DEAELP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1nnc(C2CC2)n1C ZINC000191489115 402673771 /nfs/dbraw/zinc/67/37/71/402673771.db2.gz RXRAVTFKCOCPCH-UHFFFAOYSA-N 2 2 316.453 2.364 10 0 DEAELP CC(C)N(C(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)C(C)C ZINC000195515671 402848588 /nfs/dbraw/zinc/84/85/88/402848588.db2.gz CPFZRFHXDZLEKP-MRXNPFEDSA-N 2 2 318.465 2.461 10 0 DEAELP CC(C)N(C(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)C(C)C ZINC000195515671 402848589 /nfs/dbraw/zinc/84/85/89/402848589.db2.gz CPFZRFHXDZLEKP-MRXNPFEDSA-N 2 2 318.465 2.461 10 0 DEAELP COC(=O)c1occc1C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000195515852 402848884 /nfs/dbraw/zinc/84/88/84/402848884.db2.gz YCFKBNUQORCNOS-ZDUSSCGKSA-N 2 2 315.373 2.395 10 0 DEAELP COC(=O)c1occc1C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000195515852 402848885 /nfs/dbraw/zinc/84/88/85/402848885.db2.gz YCFKBNUQORCNOS-ZDUSSCGKSA-N 2 2 315.373 2.395 10 0 DEAELP c1c(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)nc2ncccn12 ZINC000195515870 402849020 /nfs/dbraw/zinc/84/90/20/402849020.db2.gz OZKKFPKWXYXIOU-CQSZACIVSA-N 2 2 308.389 2.058 10 0 DEAELP c1c(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)nc2ncccn12 ZINC000195515870 402849021 /nfs/dbraw/zinc/84/90/21/402849021.db2.gz OZKKFPKWXYXIOU-CQSZACIVSA-N 2 2 308.389 2.058 10 0 DEAELP C[C@@H]1CCCN(c2cc(N3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)nc[nH+]2)C1 ZINC000333576945 403784310 /nfs/dbraw/zinc/78/43/10/403784310.db2.gz SUWFPVDGEMJAQA-UGUYLWEFSA-N 2 2 315.465 2.277 10 0 DEAELP C[C@@H]1CCCN(c2cc(N3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)[nH+]cn2)C1 ZINC000333576945 403784313 /nfs/dbraw/zinc/78/43/13/403784313.db2.gz SUWFPVDGEMJAQA-UGUYLWEFSA-N 2 2 315.465 2.277 10 0 DEAELP Clc1cccc2c(N3CC[N@@H+]4CCOC[C@@H]4C3)cc[nH+]c12 ZINC000376433371 404821793 /nfs/dbraw/zinc/82/17/93/404821793.db2.gz HRKLQCORXXBRSD-LBPRGKRZSA-N 2 2 303.793 2.409 10 0 DEAELP Clc1cccc2c(N3CC[N@H+]4CCOC[C@@H]4C3)cc[nH+]c12 ZINC000376433371 404821795 /nfs/dbraw/zinc/82/17/95/404821795.db2.gz HRKLQCORXXBRSD-LBPRGKRZSA-N 2 2 303.793 2.409 10 0 DEAELP CCO[C@H]1C[C@H]([NH2+]CC[NH+]2CCCCCC2)C12CCOCC2 ZINC000186226423 286540198 /nfs/dbraw/zinc/54/01/98/286540198.db2.gz AKSVURWGJZTNNH-IRXDYDNUSA-N 2 2 310.482 2.426 10 0 DEAELP Cc1cccn2cc(CC(=O)NCC[N@@H+]3CCCC3(C)C)[nH+]c12 ZINC000568203213 406211958 /nfs/dbraw/zinc/21/19/58/406211958.db2.gz KUUPSNJZSGXTEN-UHFFFAOYSA-N 2 2 314.433 2.176 10 0 DEAELP Cc1cccn2cc(CC(=O)NCC[N@H+]3CCCC3(C)C)[nH+]c12 ZINC000568203213 406211962 /nfs/dbraw/zinc/21/19/62/406211962.db2.gz KUUPSNJZSGXTEN-UHFFFAOYSA-N 2 2 314.433 2.176 10 0 DEAELP Brc1cccc2c1C[C@@H]1[C@H]([NH2+][C@H]3CCC[NH2+]C3)[C@H]21 ZINC000634997402 406390389 /nfs/dbraw/zinc/39/03/89/406390389.db2.gz KIKQJCQMLWBLQZ-GGZSPTBLSA-N 2 2 307.235 2.429 10 0 DEAELP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1ccc(-c2ccncc2)cc1F ZINC000131371248 196162518 /nfs/dbraw/zinc/16/25/18/196162518.db2.gz CTOUOOXQWHDVQS-SFHVURJKSA-N 2 2 317.408 2.290 10 0 DEAELP COC[C@@H](C)[C@@H](C[NH3+])[N@H+](C)Cc1cccc(Br)c1 ZINC000131958153 196213863 /nfs/dbraw/zinc/21/38/63/196213863.db2.gz FHNWKSMDWXJNEI-BXUZGUMPSA-N 2 2 315.255 2.491 10 0 DEAELP COC[C@@H](C)[C@@H](C[NH3+])[N@@H+](C)Cc1cccc(Br)c1 ZINC000131958153 196213865 /nfs/dbraw/zinc/21/38/65/196213865.db2.gz FHNWKSMDWXJNEI-BXUZGUMPSA-N 2 2 315.255 2.491 10 0 DEAELP CCc1noc([C@H](C)[NH+]2CCC(Cc3[nH+]ccn3C)CC2)n1 ZINC000105876378 424849708 /nfs/dbraw/zinc/84/97/08/424849708.db2.gz WZYBQOVHHZGSEF-LBPRGKRZSA-N 2 2 303.410 2.381 10 0 DEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NCc2ccc(C)cc2)[C@H](C)C1 ZINC000081096848 267377705 /nfs/dbraw/zinc/37/77/05/267377705.db2.gz AODWAGPORBKMMD-AEFFLSMTSA-N 2 2 317.477 2.273 10 0 DEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NCc2ccc(C)cc2)[C@H](C)C1 ZINC000081096848 267377709 /nfs/dbraw/zinc/37/77/09/267377709.db2.gz AODWAGPORBKMMD-AEFFLSMTSA-N 2 2 317.477 2.273 10 0 DEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NCc2ccc(C)cc2)[C@H](C)C1 ZINC000081096848 267377711 /nfs/dbraw/zinc/37/77/11/267377711.db2.gz AODWAGPORBKMMD-AEFFLSMTSA-N 2 2 317.477 2.273 10 0 DEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NCc2ccc(C)cc2)[C@H](C)C1 ZINC000081096848 267377712 /nfs/dbraw/zinc/37/77/12/267377712.db2.gz AODWAGPORBKMMD-AEFFLSMTSA-N 2 2 317.477 2.273 10 0 DEAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2ccc(OC)cc21 ZINC000247181573 274028267 /nfs/dbraw/zinc/02/82/67/274028267.db2.gz ZCWHNYZRYXCHGB-YJBOKZPZSA-N 2 2 304.434 2.383 10 0 DEAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2ccc(OC)cc21 ZINC000247181573 274028270 /nfs/dbraw/zinc/02/82/70/274028270.db2.gz ZCWHNYZRYXCHGB-YJBOKZPZSA-N 2 2 304.434 2.383 10 0 DEAELP Cc1c[nH+]ccc1NC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000170956237 325716430 /nfs/dbraw/zinc/71/64/30/325716430.db2.gz RUJJOZCLJQGSMZ-UHFFFAOYSA-N 2 2 324.428 2.146 10 0 DEAELP CCOC[C@@H](O)C[NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000398045860 337304976 /nfs/dbraw/zinc/30/49/76/337304976.db2.gz BQECGONGEKTQDJ-ROUUACIJSA-N 2 2 306.450 2.028 10 0 DEAELP CCOC[C@@H](O)C[NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000398045860 337304977 /nfs/dbraw/zinc/30/49/77/337304977.db2.gz BQECGONGEKTQDJ-ROUUACIJSA-N 2 2 306.450 2.028 10 0 DEAELP CC(C)OC[C@H](O)C[NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000398165852 337307807 /nfs/dbraw/zinc/30/78/07/337307807.db2.gz TXILHSUGYPGJMN-CGTJXYLNSA-N 2 2 306.450 2.025 10 0 DEAELP CC(C)OC[C@H](O)C[NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000398165852 337307808 /nfs/dbraw/zinc/30/78/08/337307808.db2.gz TXILHSUGYPGJMN-CGTJXYLNSA-N 2 2 306.450 2.025 10 0 DEAELP C[C@H](C[NH2+][C@H](C)c1ccc([S@](C)=O)cc1)C[NH+]1CCOCC1 ZINC000178524001 341957254 /nfs/dbraw/zinc/95/72/54/341957254.db2.gz ABVZKJYJIHJDRM-HLFMIMNKSA-N 2 2 324.490 2.043 10 0 DEAELP CCC[C@H](C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)[NH+](C)C ZINC000156946776 520987543 /nfs/dbraw/zinc/98/75/43/520987543.db2.gz OJXMTJNELFSLCJ-QGZVFWFLSA-N 2 2 319.449 2.188 10 0 DEAELP Cn1c[nH+]cc1[C@H]1C[C@@H]([NH2+]Cc2c[nH]nc2C(C)(C)C)CCO1 ZINC000328626401 534814802 /nfs/dbraw/zinc/81/48/02/534814802.db2.gz FALYDPFDSJMGHD-DZGCQCFKSA-N 2 2 317.437 2.451 10 0 DEAELP COc1ccc([C@H](C)[NH2+]CCn2cc[nH+]c2)cc1NC(C)=O ZINC000155720407 525321558 /nfs/dbraw/zinc/32/15/58/525321558.db2.gz IDAVQRTWYJAHRX-LBPRGKRZSA-N 2 2 302.378 2.201 10 0 DEAELP CC(C)Cn1cc[nH+]c1CNC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000262914479 534912095 /nfs/dbraw/zinc/91/20/95/534912095.db2.gz RBLCHSSKMRZHTL-OAHLLOKOSA-N 2 2 300.406 2.245 10 0 DEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000246734802 534913435 /nfs/dbraw/zinc/91/34/35/534913435.db2.gz ASINWUJJVLCFAI-HUUCEWRRSA-N 2 2 321.469 2.067 10 0 DEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000246734802 534913438 /nfs/dbraw/zinc/91/34/38/534913438.db2.gz ASINWUJJVLCFAI-HUUCEWRRSA-N 2 2 321.469 2.067 10 0 DEAELP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ncccc3Br)C[C@@H]21 ZINC000386678445 685419227 /nfs/dbraw/zinc/41/92/27/685419227.db2.gz XWSQCCLGSBIGTI-NTZNESFSSA-N 2 2 310.239 2.403 10 0 DEAELP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ncccc3Br)C[C@@H]21 ZINC000386678445 685419229 /nfs/dbraw/zinc/41/92/29/685419229.db2.gz XWSQCCLGSBIGTI-NTZNESFSSA-N 2 2 310.239 2.403 10 0 DEAELP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)CN(C(=O)OC(C)(C)C)C1 ZINC000401702652 801843078 /nfs/dbraw/zinc/84/30/78/801843078.db2.gz AWGQNZIVWPYTQR-KFWWJZLASA-N 2 2 311.470 2.316 10 0 DEAELP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2C)CN(C(=O)OC(C)(C)C)C1 ZINC000401702652 801843086 /nfs/dbraw/zinc/84/30/86/801843086.db2.gz AWGQNZIVWPYTQR-KFWWJZLASA-N 2 2 311.470 2.316 10 0 DEAELP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+]2C)CN(C(=O)OC(C)(C)C)C1 ZINC000401702654 801843260 /nfs/dbraw/zinc/84/32/60/801843260.db2.gz AWGQNZIVWPYTQR-RBSFLKMASA-N 2 2 311.470 2.316 10 0 DEAELP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@H+]2C)CN(C(=O)OC(C)(C)C)C1 ZINC000401702654 801843266 /nfs/dbraw/zinc/84/32/66/801843266.db2.gz AWGQNZIVWPYTQR-RBSFLKMASA-N 2 2 311.470 2.316 10 0 DEAELP Nc1ccc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)cc1Br ZINC000078897945 185125335 /nfs/dbraw/zinc/12/53/35/185125335.db2.gz WAYQALLMJUODQR-LLVKDONJSA-N 2 2 310.239 2.358 10 0 DEAELP Nc1ccc(C[NH2+][C@@H]2CC[N@H+](C3CC3)C2)cc1Br ZINC000078897945 185125337 /nfs/dbraw/zinc/12/53/37/185125337.db2.gz WAYQALLMJUODQR-LLVKDONJSA-N 2 2 310.239 2.358 10 0 DEAELP Cc1ccc(C(N)=S)c(NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[nH+]1 ZINC000088164696 185240768 /nfs/dbraw/zinc/24/07/68/185240768.db2.gz LMJJETLLZJAHDL-YHWZYXNKSA-N 2 2 304.463 2.451 10 0 DEAELP Cc1ccc(C(N)=S)c(NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[nH+]1 ZINC000088164696 185240769 /nfs/dbraw/zinc/24/07/69/185240769.db2.gz LMJJETLLZJAHDL-YHWZYXNKSA-N 2 2 304.463 2.451 10 0 DEAELP CC1(C)[C@H]2C[NH2+]C[C@@H]2C[N@@H+]1CC(=O)Nc1ccc(Cl)cc1 ZINC000090337857 185291901 /nfs/dbraw/zinc/29/19/01/185291901.db2.gz UWENSBTZPNRWBO-RISCZKNCSA-N 2 2 307.825 2.208 10 0 DEAELP CC1(C)[C@H]2C[NH2+]C[C@@H]2C[N@H+]1CC(=O)Nc1ccc(Cl)cc1 ZINC000090337857 185291902 /nfs/dbraw/zinc/29/19/02/185291902.db2.gz UWENSBTZPNRWBO-RISCZKNCSA-N 2 2 307.825 2.208 10 0 DEAELP CC1(C)[C@@H]2C[NH2+]C[C@@H]2C[N@@H+]1Cc1cc2c(c(Cl)c1)OCO2 ZINC000090337888 185291922 /nfs/dbraw/zinc/29/19/22/185291922.db2.gz GFTLBTNHJPJPPH-VXGBXAGGSA-N 2 2 308.809 2.499 10 0 DEAELP CC1(C)[C@@H]2C[NH2+]C[C@@H]2C[N@H+]1Cc1cc2c(c(Cl)c1)OCO2 ZINC000090337888 185291923 /nfs/dbraw/zinc/29/19/23/185291923.db2.gz GFTLBTNHJPJPPH-VXGBXAGGSA-N 2 2 308.809 2.499 10 0 DEAELP Cn1cc([C@H]2[C@H](C[N@H+](C)Cc3cccn3C)CCC[NH+]2C)cn1 ZINC000328622344 530005727 /nfs/dbraw/zinc/00/57/27/530005727.db2.gz BDTYGJUWRSKOAL-MAUKXSAKSA-N 2 2 315.465 2.274 10 0 DEAELP Cn1cc([C@H]2[C@H](C[N@@H+](C)Cc3cccn3C)CCC[NH+]2C)cn1 ZINC000328622344 530005728 /nfs/dbraw/zinc/00/57/28/530005728.db2.gz BDTYGJUWRSKOAL-MAUKXSAKSA-N 2 2 315.465 2.274 10 0 DEAELP Cn1cc([C@H]2[C@H](C[NH+](C)Cc3cccn3C)CCC[N@@H+]2C)cn1 ZINC000328622344 530005730 /nfs/dbraw/zinc/00/57/30/530005730.db2.gz BDTYGJUWRSKOAL-MAUKXSAKSA-N 2 2 315.465 2.274 10 0 DEAELP Cn1cc([C@H]2[C@H](C[NH+](C)Cc3cccn3C)CCC[N@H+]2C)cn1 ZINC000328622344 530005731 /nfs/dbraw/zinc/00/57/31/530005731.db2.gz BDTYGJUWRSKOAL-MAUKXSAKSA-N 2 2 315.465 2.274 10 0 DEAELP [NH3+]C[C@@H]([NH2+]C[C@@H]1CCCO1)c1cc(Br)cs1 ZINC000083774351 192383048 /nfs/dbraw/zinc/38/30/48/192383048.db2.gz NBSGKZQJYLGWFH-VHSXEESVSA-N 2 2 305.241 2.279 10 0 DEAELP c1nc(-c2noc([C@H]3CCC[N@@H+]3C3CC[NH2+]CC3)n2)cs1 ZINC000150244866 186055907 /nfs/dbraw/zinc/05/59/07/186055907.db2.gz AKOYRAHPGXHPDC-GFCCVEGCSA-N 2 2 305.407 2.082 10 0 DEAELP c1nc(-c2noc([C@H]3CCC[N@H+]3C3CC[NH2+]CC3)n2)cs1 ZINC000150244866 186055908 /nfs/dbraw/zinc/05/59/08/186055908.db2.gz AKOYRAHPGXHPDC-GFCCVEGCSA-N 2 2 305.407 2.082 10 0 DEAELP CCn1c(C)nnc1C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185693330 356209127 /nfs/dbraw/zinc/20/91/27/356209127.db2.gz IETQDATXFXFODV-HIFRSBDPSA-N 2 2 305.470 2.349 10 0 DEAELP CCn1c(C)nnc1C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185693330 356209131 /nfs/dbraw/zinc/20/91/31/356209131.db2.gz IETQDATXFXFODV-HIFRSBDPSA-N 2 2 305.470 2.349 10 0 DEAELP Cc1ccc(O)c(C[N@@H+](Cc2cccnc2)C[C@@H]2CC[NH2+]C2)n1 ZINC000328651048 356466574 /nfs/dbraw/zinc/46/65/74/356466574.db2.gz VUMWJHSGTPMWJG-MRXNPFEDSA-N 2 2 312.417 2.102 10 0 DEAELP Cc1ccc(O)c(C[N@H+](Cc2cccnc2)C[C@@H]2CC[NH2+]C2)n1 ZINC000328651048 356466578 /nfs/dbraw/zinc/46/65/78/356466578.db2.gz VUMWJHSGTPMWJG-MRXNPFEDSA-N 2 2 312.417 2.102 10 0 DEAELP CC(C)c1nnc(C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)n1C ZINC000179476569 199042049 /nfs/dbraw/zinc/04/20/49/199042049.db2.gz VCRGXMATTBINCB-KGLIPLIRSA-N 2 2 302.426 2.218 10 0 DEAELP CC(C)c1nnc(C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)n1C ZINC000179476569 199042051 /nfs/dbraw/zinc/04/20/51/199042051.db2.gz VCRGXMATTBINCB-KGLIPLIRSA-N 2 2 302.426 2.218 10 0 DEAELP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000180838183 199216551 /nfs/dbraw/zinc/21/65/51/199216551.db2.gz XFAZWCACISSLLF-DLBZAZTESA-N 2 2 311.433 2.326 10 0 DEAELP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000180838183 199216553 /nfs/dbraw/zinc/21/65/53/199216553.db2.gz XFAZWCACISSLLF-DLBZAZTESA-N 2 2 311.433 2.326 10 0 DEAELP O=C(C[C@@H]1CC[NH2+]C1)Nc1cccc(Cl)c1-n1cc[nH+]c1 ZINC000089741781 192855101 /nfs/dbraw/zinc/85/51/01/192855101.db2.gz VCPYBZIWWJRKCM-NSHDSACASA-N 2 2 304.781 2.464 10 0 DEAELP CCOC(=O)CCC[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195272120 201371655 /nfs/dbraw/zinc/37/16/55/201371655.db2.gz BXVSGQYASWVXIR-QGZVFWFLSA-N 2 2 319.449 2.179 10 0 DEAELP CCOC(=O)CCC[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195272120 201371657 /nfs/dbraw/zinc/37/16/57/201371657.db2.gz BXVSGQYASWVXIR-QGZVFWFLSA-N 2 2 319.449 2.179 10 0 DEAELP CCOC(=O)CCC[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195272120 201371662 /nfs/dbraw/zinc/37/16/62/201371662.db2.gz BXVSGQYASWVXIR-QGZVFWFLSA-N 2 2 319.449 2.179 10 0 DEAELP CCOC(=O)CCC[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195272120 201371665 /nfs/dbraw/zinc/37/16/65/201371665.db2.gz BXVSGQYASWVXIR-QGZVFWFLSA-N 2 2 319.449 2.179 10 0 DEAELP c1cc(CNC[C@H]2CC[N@@H+]2C2CCCC2)n(-c2cc[nH+]cc2)n1 ZINC000623729275 365152636 /nfs/dbraw/zinc/15/26/36/365152636.db2.gz WTCRHNHSUQJNRF-QGZVFWFLSA-N 2 2 311.433 2.374 10 0 DEAELP c1cc(CNC[C@H]2CC[N@H+]2C2CCCC2)n(-c2cc[nH+]cc2)n1 ZINC000623729275 365152642 /nfs/dbraw/zinc/15/26/42/365152642.db2.gz WTCRHNHSUQJNRF-QGZVFWFLSA-N 2 2 311.433 2.374 10 0 DEAELP c1[nH+]cn2c1c(N1CC[NH+](CC3CC3)CC1)nc1ccccc12 ZINC000623876140 365207737 /nfs/dbraw/zinc/20/77/37/365207737.db2.gz JOTASXYGZZJXJE-UHFFFAOYSA-N 2 2 307.401 2.415 10 0 DEAELP CC[NH2+][C@@H](CCCS(C)(=O)=O)C(C)(C)[NH+]1CCCCCC1 ZINC000091568502 193074312 /nfs/dbraw/zinc/07/43/12/193074312.db2.gz SXCOCULXHYIDLB-HNNXBMFYSA-N 2 2 318.527 2.444 10 0 DEAELP CCN(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631888459 368444936 /nfs/dbraw/zinc/44/49/36/368444936.db2.gz ZNBJMRKBLQSZCH-QZTJIDSGSA-N 2 2 315.461 2.109 10 0 DEAELP CCN(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631888459 368444939 /nfs/dbraw/zinc/44/49/39/368444939.db2.gz ZNBJMRKBLQSZCH-QZTJIDSGSA-N 2 2 315.461 2.109 10 0 DEAELP C[C@@H]1C[C@@H]([NH+](C)Cc2cn(C)nc2-c2ccncc2)CC[N@@H+]1C ZINC000093644851 193280290 /nfs/dbraw/zinc/28/02/90/193280290.db2.gz SRCBLBNNVNANHI-PBHICJAKSA-N 2 2 313.449 2.397 10 0 DEAELP C[C@@H]1C[C@@H]([NH+](C)Cc2cn(C)nc2-c2ccncc2)CC[N@H+]1C ZINC000093644851 193280292 /nfs/dbraw/zinc/28/02/92/193280292.db2.gz SRCBLBNNVNANHI-PBHICJAKSA-N 2 2 313.449 2.397 10 0 DEAELP C[C@@H]1C[C@@H]([N@H+](C)Cc2cn(C)nc2-c2ccncc2)CC[NH+]1C ZINC000093644851 193280293 /nfs/dbraw/zinc/28/02/93/193280293.db2.gz SRCBLBNNVNANHI-PBHICJAKSA-N 2 2 313.449 2.397 10 0 DEAELP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cn(C)nc2-c2ccncc2)CC[NH+]1C ZINC000093644851 193280295 /nfs/dbraw/zinc/28/02/95/193280295.db2.gz SRCBLBNNVNANHI-PBHICJAKSA-N 2 2 313.449 2.397 10 0 DEAELP CC(C)[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C[NH3+])c1cccs1 ZINC000093874294 193322368 /nfs/dbraw/zinc/32/23/68/193322368.db2.gz GGKSOPTVJKEHPF-OAHLLOKOSA-N 2 2 311.495 2.478 10 0 DEAELP CC(C)[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C[NH3+])c1cccs1 ZINC000093874294 193322369 /nfs/dbraw/zinc/32/23/69/193322369.db2.gz GGKSOPTVJKEHPF-OAHLLOKOSA-N 2 2 311.495 2.478 10 0 DEAELP CC[N@H+](CC(C)(C)C[NH3+])[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000093876656 193322537 /nfs/dbraw/zinc/32/25/37/193322537.db2.gz ZMBOKHNLONFJIJ-ZDUSSCGKSA-N 2 2 312.479 2.458 10 0 DEAELP CC[N@@H+](CC(C)(C)C[NH3+])[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000093876656 193322538 /nfs/dbraw/zinc/32/25/38/193322538.db2.gz ZMBOKHNLONFJIJ-ZDUSSCGKSA-N 2 2 312.479 2.458 10 0 DEAELP C[NH2+][C@@H](Cc1c(Cl)cccc1Cl)[C@@H]1C[N@H+](C)CCN1C ZINC000093894843 193325057 /nfs/dbraw/zinc/32/50/57/193325057.db2.gz QOKTVIFXVJWRFI-GJZGRUSLSA-N 2 2 316.276 2.370 10 0 DEAELP C[NH2+][C@@H](Cc1c(Cl)cccc1Cl)[C@@H]1C[N@@H+](C)CCN1C ZINC000093894843 193325059 /nfs/dbraw/zinc/32/50/59/193325059.db2.gz QOKTVIFXVJWRFI-GJZGRUSLSA-N 2 2 316.276 2.370 10 0 DEAELP CCNC(=O)C[NH+]1CCC(Cn2c(C)[nH+]c3ccccc32)CC1 ZINC000038535671 183001845 /nfs/dbraw/zinc/00/18/45/183001845.db2.gz WFEOPKQLUQTMLM-UHFFFAOYSA-N 2 2 314.433 2.193 10 0 DEAELP COc1ccc(C[NH2+][C@@H]2CCC[N@H+](C)C2)cc1OC(F)F ZINC000040671649 183115324 /nfs/dbraw/zinc/11/53/24/183115324.db2.gz KRGBYTINTAYUCQ-GFCCVEGCSA-N 2 2 300.349 2.480 10 0 DEAELP COc1ccc(C[NH2+][C@@H]2CCC[N@@H+](C)C2)cc1OC(F)F ZINC000040671649 183115325 /nfs/dbraw/zinc/11/53/25/183115325.db2.gz KRGBYTINTAYUCQ-GFCCVEGCSA-N 2 2 300.349 2.480 10 0 DEAELP C[NH2+]Cc1cccc(Br)c1OCCn1cc[nH+]c1 ZINC000042411573 183265851 /nfs/dbraw/zinc/26/58/51/183265851.db2.gz CZEHODFXWOAHIN-UHFFFAOYSA-N 2 2 310.195 2.444 10 0 DEAELP CC(C)[NH2+]C[C@H](O)C[N@H+](C)Cc1ccc(Br)cc1 ZINC000042439956 183270361 /nfs/dbraw/zinc/27/03/61/183270361.db2.gz DYAULYNWCSXSHP-AWEZNQCLSA-N 2 2 315.255 2.240 10 0 DEAELP CC(C)[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccc(Br)cc1 ZINC000042439956 183270363 /nfs/dbraw/zinc/27/03/63/183270363.db2.gz DYAULYNWCSXSHP-AWEZNQCLSA-N 2 2 315.255 2.240 10 0 DEAELP COCCC[N@H+](CCOC)[C@@H](c1sccc1C)[C@@H](C)[NH3+] ZINC000043248714 183347254 /nfs/dbraw/zinc/34/72/54/183347254.db2.gz OPCVJQYYCOVBGA-ZIAGYGMSSA-N 2 2 300.468 2.430 10 0 DEAELP COCCC[N@@H+](CCOC)[C@@H](c1sccc1C)[C@@H](C)[NH3+] ZINC000043248714 183347256 /nfs/dbraw/zinc/34/72/56/183347256.db2.gz OPCVJQYYCOVBGA-ZIAGYGMSSA-N 2 2 300.468 2.430 10 0 DEAELP CC[C@H]([NH3+])[C@@H](c1ccc(C)s1)[NH+]1CCC(CC(N)=O)CC1 ZINC000043242767 183347389 /nfs/dbraw/zinc/34/73/89/183347389.db2.gz LVTAYUBLBGJUEV-BBRMVZONSA-N 2 2 309.479 2.422 10 0 DEAELP CCNc1cc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)nc(SC)[nH+]1 ZINC000157119296 197163768 /nfs/dbraw/zinc/16/37/68/197163768.db2.gz HOOPALOITAYCBU-NEPJUHHUSA-N 2 2 307.467 2.303 10 0 DEAELP CCNc1cc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)nc(SC)[nH+]1 ZINC000157119296 197163770 /nfs/dbraw/zinc/16/37/70/197163770.db2.gz HOOPALOITAYCBU-NEPJUHHUSA-N 2 2 307.467 2.303 10 0 DEAELP c1nn(-c2cc[nH+]cc2)c2nc[nH+]c(NCC[C@@H]3CCOC3)c12 ZINC000542196920 285212187 /nfs/dbraw/zinc/21/21/87/285212187.db2.gz NQKZKOSZTBXUKI-GFCCVEGCSA-N 2 2 310.361 2.049 10 0 DEAELP Cc1c[nH+]ccc1NC(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000120661792 195211035 /nfs/dbraw/zinc/21/10/35/195211035.db2.gz JHGDVDHUVDSSGG-AWEZNQCLSA-N 2 2 318.421 2.107 10 0 DEAELP Cc1c[nH+]ccc1NC(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000120661792 195211036 /nfs/dbraw/zinc/21/10/36/195211036.db2.gz JHGDVDHUVDSSGG-AWEZNQCLSA-N 2 2 318.421 2.107 10 0 DEAELP Cc1cccc(NC2CC[NH+]([C@@H](C)c3nncn3C)CC2)[nH+]1 ZINC000376507157 133297778 /nfs/dbraw/zinc/29/77/78/133297778.db2.gz NVRRRSHNXBFYGD-ZDUSSCGKSA-N 2 2 300.410 2.156 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCC[N@H+]1CC=CCC1)C2 ZINC000373624680 133398175 /nfs/dbraw/zinc/39/81/75/133398175.db2.gz PLUGLOWKWDGOJM-AWEZNQCLSA-N 2 2 316.449 2.016 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCC[N@@H+]1CC=CCC1)C2 ZINC000373624680 133398176 /nfs/dbraw/zinc/39/81/76/133398176.db2.gz PLUGLOWKWDGOJM-AWEZNQCLSA-N 2 2 316.449 2.016 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCC[N@H+]1CC=CCC1)CC2 ZINC000373624680 133398177 /nfs/dbraw/zinc/39/81/77/133398177.db2.gz PLUGLOWKWDGOJM-AWEZNQCLSA-N 2 2 316.449 2.016 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCC[N@@H+]1CC=CCC1)CC2 ZINC000373624680 133398178 /nfs/dbraw/zinc/39/81/78/133398178.db2.gz PLUGLOWKWDGOJM-AWEZNQCLSA-N 2 2 316.449 2.016 10 0 DEAELP C[C@@H](C(=O)N1CCCCC1)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000247445173 145137312 /nfs/dbraw/zinc/13/73/12/145137312.db2.gz YHUOMRNCSORCFK-HOTGVXAUSA-N 2 2 316.449 2.216 10 0 DEAELP C[C@@H](C(=O)N1CCCCC1)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000247445173 145137313 /nfs/dbraw/zinc/13/73/13/145137313.db2.gz YHUOMRNCSORCFK-HOTGVXAUSA-N 2 2 316.449 2.216 10 0 DEAELP CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2cn3ccccc3[nH+]2)[C@@H](C)C1 ZINC000247516391 145140470 /nfs/dbraw/zinc/14/04/70/145140470.db2.gz WCTPITGFTLYECZ-GOEBONIOSA-N 2 2 314.433 2.066 10 0 DEAELP CC[N@H+]1CC[C@@H](N(C)C(=O)Cc2cn3ccccc3[nH+]2)[C@@H](C)C1 ZINC000247516391 145140473 /nfs/dbraw/zinc/14/04/73/145140473.db2.gz WCTPITGFTLYECZ-GOEBONIOSA-N 2 2 314.433 2.066 10 0 DEAELP CCNC(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000247921194 145144624 /nfs/dbraw/zinc/14/46/24/145144624.db2.gz BDZAXWHDATYXBU-ROUUACIJSA-N 2 2 315.461 2.109 10 0 DEAELP CCNC(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000247921194 145144626 /nfs/dbraw/zinc/14/46/26/145144626.db2.gz BDZAXWHDATYXBU-ROUUACIJSA-N 2 2 315.461 2.109 10 0 DEAELP CCNC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000247921194 145144627 /nfs/dbraw/zinc/14/46/27/145144627.db2.gz BDZAXWHDATYXBU-ROUUACIJSA-N 2 2 315.461 2.109 10 0 DEAELP CCNC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000247921194 145144629 /nfs/dbraw/zinc/14/46/29/145144629.db2.gz BDZAXWHDATYXBU-ROUUACIJSA-N 2 2 315.461 2.109 10 0 DEAELP COC(=O)[C@@H]1C[C@@H](c2ccccc2)C[N@H+](CC[NH2+]C(C)C)C1 ZINC000248711949 145165168 /nfs/dbraw/zinc/16/51/68/145165168.db2.gz CSPWRQUPJPKAEX-IAGOWNOFSA-N 2 2 304.434 2.263 10 0 DEAELP COC(=O)[C@@H]1C[C@@H](c2ccccc2)C[N@@H+](CC[NH2+]C(C)C)C1 ZINC000248711949 145165169 /nfs/dbraw/zinc/16/51/69/145165169.db2.gz CSPWRQUPJPKAEX-IAGOWNOFSA-N 2 2 304.434 2.263 10 0 DEAELP C[C@@H]1CCc2ccccc2N1C(=O)C[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261904487 145239949 /nfs/dbraw/zinc/23/99/49/145239949.db2.gz WWDVPIFZTPDPJT-RHSMWYFYSA-N 2 2 315.461 2.414 10 0 DEAELP C[C@@H]1CCc2ccccc2N1C(=O)C[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261904487 145239951 /nfs/dbraw/zinc/23/99/51/145239951.db2.gz WWDVPIFZTPDPJT-RHSMWYFYSA-N 2 2 315.461 2.414 10 0 DEAELP C[C@@]1(C[NH+]2CCN(Cc3cccc(Cl)c3)CC2)CC[NH2+]C1 ZINC000262009252 145252551 /nfs/dbraw/zinc/25/25/51/145252551.db2.gz MECQPBZTBLEKKC-QGZVFWFLSA-N 2 2 307.869 2.457 10 0 DEAELP C[C@@]1(CN2CC[NH+](Cc3cccc(Cl)c3)CC2)CC[NH2+]C1 ZINC000262009252 145252553 /nfs/dbraw/zinc/25/25/53/145252553.db2.gz MECQPBZTBLEKKC-QGZVFWFLSA-N 2 2 307.869 2.457 10 0 DEAELP CC(C)c1ccc(NC(=O)C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000262429689 145283655 /nfs/dbraw/zinc/28/36/55/145283655.db2.gz FSJKYDGTSOCKPH-HOTGVXAUSA-N 2 2 301.434 2.290 10 0 DEAELP CC(C)c1ccc(NC(=O)C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000262429689 145283656 /nfs/dbraw/zinc/28/36/56/145283656.db2.gz FSJKYDGTSOCKPH-HOTGVXAUSA-N 2 2 301.434 2.290 10 0 DEAELP CC(C)CN(CC[NH+](C)C)C(=O)NCc1[nH+]ccn1CC(C)C ZINC000074534529 401741720 /nfs/dbraw/zinc/74/17/20/401741720.db2.gz UOXWWTJOPSSXNJ-UHFFFAOYSA-N 2 2 323.485 2.268 10 0 DEAELP C[C@H]1C[N@@H+](C2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)CCO1 ZINC000111236544 401703005 /nfs/dbraw/zinc/70/30/05/401703005.db2.gz JFCGUTYHIKGPBK-HNNXBMFYSA-N 2 2 316.445 2.307 10 0 DEAELP C[C@H]1C[N@H+](C2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)CCO1 ZINC000111236544 401703007 /nfs/dbraw/zinc/70/30/07/401703007.db2.gz JFCGUTYHIKGPBK-HNNXBMFYSA-N 2 2 316.445 2.307 10 0 DEAELP C[N@@H+]1CCC[C@H]1CC[NH+]1CCCN(C(=O)c2cccs2)CC1 ZINC000089427944 401946424 /nfs/dbraw/zinc/94/64/24/401946424.db2.gz ICIBIHCWFWHVCL-HNNXBMFYSA-N 2 2 321.490 2.380 10 0 DEAELP C[N@H+]1CCC[C@H]1CC[NH+]1CCCN(C(=O)c2cccs2)CC1 ZINC000089427944 401946427 /nfs/dbraw/zinc/94/64/27/401946427.db2.gz ICIBIHCWFWHVCL-HNNXBMFYSA-N 2 2 321.490 2.380 10 0 DEAELP C[NH+]1CCC[C@H]1CC[N@@H+]1CCCN(C(=O)c2cccs2)CC1 ZINC000089427944 401946429 /nfs/dbraw/zinc/94/64/29/401946429.db2.gz ICIBIHCWFWHVCL-HNNXBMFYSA-N 2 2 321.490 2.380 10 0 DEAELP C[NH+]1CCC[C@H]1CC[N@H+]1CCCN(C(=O)c2cccs2)CC1 ZINC000089427944 401946432 /nfs/dbraw/zinc/94/64/32/401946432.db2.gz ICIBIHCWFWHVCL-HNNXBMFYSA-N 2 2 321.490 2.380 10 0 DEAELP C[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000151105604 402016183 /nfs/dbraw/zinc/01/61/83/402016183.db2.gz LKGNTYSBQUBZKA-JKSUJKDBSA-N 2 2 316.449 2.216 10 0 DEAELP C[C@H]1CCCCN1C(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000151105604 402016188 /nfs/dbraw/zinc/01/61/88/402016188.db2.gz LKGNTYSBQUBZKA-JKSUJKDBSA-N 2 2 316.449 2.216 10 0 DEAELP C[C@H](NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)C(C)(C)C[NH+](C)C ZINC000121205476 402020632 /nfs/dbraw/zinc/02/06/32/402020632.db2.gz FFHNDXLQHZIJHX-LSDHHAIUSA-N 2 2 321.469 2.033 10 0 DEAELP C[N@H+](Cc1cccc(O)c1)C1CC[NH+](CCn2cccn2)CC1 ZINC000121229512 402021801 /nfs/dbraw/zinc/02/18/01/402021801.db2.gz NWOMZBNXCWCNSK-UHFFFAOYSA-N 2 2 314.433 2.185 10 0 DEAELP C[N@@H+](Cc1cccc(O)c1)C1CC[NH+](CCn2cccn2)CC1 ZINC000121229512 402021804 /nfs/dbraw/zinc/02/18/04/402021804.db2.gz NWOMZBNXCWCNSK-UHFFFAOYSA-N 2 2 314.433 2.185 10 0 DEAELP O[C@H](C[NH2+][C@H]1CCCOc2ccccc21)C[NH+]1CCCCC1 ZINC000151309771 402029081 /nfs/dbraw/zinc/02/90/81/402029081.db2.gz FEVQCHXORMGSMN-WBVHZDCISA-N 2 2 304.434 2.337 10 0 DEAELP COc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)c(OC)c1 ZINC000151324525 402029802 /nfs/dbraw/zinc/02/98/02/402029802.db2.gz DAERQODRIWURSF-HUUCEWRRSA-N 2 2 322.449 2.201 10 0 DEAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000152127856 402077092 /nfs/dbraw/zinc/07/70/92/402077092.db2.gz SEQKASPNFKEMHG-KFWWJZLASA-N 2 2 311.470 2.314 10 0 DEAELP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000152127856 402077094 /nfs/dbraw/zinc/07/70/94/402077094.db2.gz SEQKASPNFKEMHG-KFWWJZLASA-N 2 2 311.470 2.314 10 0 DEAELP C[C@H]1C[C@H]([NH+](C)CC(=O)N2CCCc3ccccc32)CC[N@@H+]1C ZINC000123022686 402106410 /nfs/dbraw/zinc/10/64/10/402106410.db2.gz UQKAEYMQFBIYOZ-DOTOQJQBSA-N 2 2 315.461 2.380 10 0 DEAELP C[C@H]1C[C@H]([NH+](C)CC(=O)N2CCCc3ccccc32)CC[N@H+]1C ZINC000123022686 402106414 /nfs/dbraw/zinc/10/64/14/402106414.db2.gz UQKAEYMQFBIYOZ-DOTOQJQBSA-N 2 2 315.461 2.380 10 0 DEAELP C[C@H]1C[C@H]([N@H+](C)CC(=O)N2CCCc3ccccc32)CC[NH+]1C ZINC000123022686 402106417 /nfs/dbraw/zinc/10/64/17/402106417.db2.gz UQKAEYMQFBIYOZ-DOTOQJQBSA-N 2 2 315.461 2.380 10 0 DEAELP C[C@H]1C[C@H]([N@@H+](C)CC(=O)N2CCCc3ccccc32)CC[NH+]1C ZINC000123022686 402106419 /nfs/dbraw/zinc/10/64/19/402106419.db2.gz UQKAEYMQFBIYOZ-DOTOQJQBSA-N 2 2 315.461 2.380 10 0 DEAELP CC(C)c1nc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)no1 ZINC000163332845 402447524 /nfs/dbraw/zinc/44/75/24/402447524.db2.gz PRXQAIVADZHOBS-ZDUSSCGKSA-N 2 2 303.410 2.381 10 0 DEAELP CC(C)c1nc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)no1 ZINC000163332845 402447526 /nfs/dbraw/zinc/44/75/26/402447526.db2.gz PRXQAIVADZHOBS-ZDUSSCGKSA-N 2 2 303.410 2.381 10 0 DEAELP CC(C)[NH+](CCNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)C(C)C ZINC000177344970 402393117 /nfs/dbraw/zinc/39/31/17/402393117.db2.gz PDTOETROCVFGIL-MRXNPFEDSA-N 2 2 321.469 2.176 10 0 DEAELP Cc1ccc(C[NH+]2CCC([N@H+]3CCO[C@H](C)C3)CC2)c(C)n1 ZINC000186727198 402460254 /nfs/dbraw/zinc/46/02/54/402460254.db2.gz MEOYNEWXKJOCJD-OAHLLOKOSA-N 2 2 303.450 2.384 10 0 DEAELP Cc1ccc(C[NH+]2CCC([N@@H+]3CCO[C@H](C)C3)CC2)c(C)n1 ZINC000186727198 402460257 /nfs/dbraw/zinc/46/02/57/402460257.db2.gz MEOYNEWXKJOCJD-OAHLLOKOSA-N 2 2 303.450 2.384 10 0 DEAELP CNC(=O)c1cccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1 ZINC000178336151 402486451 /nfs/dbraw/zinc/48/64/51/402486451.db2.gz NKMXUPLOTWSIBY-KRWDZBQOSA-N 2 2 312.417 2.216 10 0 DEAELP CNC(=O)c1cccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1 ZINC000178336151 402486455 /nfs/dbraw/zinc/48/64/55/402486455.db2.gz NKMXUPLOTWSIBY-KRWDZBQOSA-N 2 2 312.417 2.216 10 0 DEAELP COC[C@H](C)C[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000187645270 402507209 /nfs/dbraw/zinc/50/72/09/402507209.db2.gz NVDLCIRIFXJONR-QGZVFWFLSA-N 2 2 305.466 2.071 10 0 DEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1nnc(C2CCC2)n1C ZINC000181413253 402644828 /nfs/dbraw/zinc/64/48/28/402644828.db2.gz QBUVTKVDHICKDC-HNNXBMFYSA-N 2 2 314.437 2.252 10 0 DEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1nnc(C2CCC2)n1C ZINC000181413253 402644829 /nfs/dbraw/zinc/64/48/29/402644829.db2.gz QBUVTKVDHICKDC-HNNXBMFYSA-N 2 2 314.437 2.252 10 0 DEAELP Cc1c([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)cnn1C(C)C ZINC000191202222 402650518 /nfs/dbraw/zinc/65/05/18/402650518.db2.gz XSXYBMKIKFYRBA-GDBMZVCRSA-N 2 2 308.470 2.270 10 0 DEAELP c1[nH+]c([C@@H]2CCC[N@@H+](C[C@@H]3CCC[NH2+]C3)C2)n2c1CCCC2 ZINC000261814016 402717570 /nfs/dbraw/zinc/71/75/70/402717570.db2.gz PZKSCXJVZZNGEA-HZPDHXFCSA-N 3 2 302.466 2.398 10 0 DEAELP c1[nH+]c([C@@H]2CCC[N@H+](C[C@@H]3CCC[NH2+]C3)C2)n2c1CCCC2 ZINC000261814016 402717574 /nfs/dbraw/zinc/71/75/74/402717574.db2.gz PZKSCXJVZZNGEA-HZPDHXFCSA-N 3 2 302.466 2.398 10 0 DEAELP Clc1ccc(C[N@H+](C2CC2)[C@H]2CC[NH2+]C2)c(-n2cncn2)c1 ZINC000261922902 402719610 /nfs/dbraw/zinc/71/96/10/402719610.db2.gz KRNQOIHTRFIYFR-HNNXBMFYSA-N 2 2 317.824 2.247 10 0 DEAELP Clc1ccc(C[N@@H+](C2CC2)[C@H]2CC[NH2+]C2)c(-n2cncn2)c1 ZINC000261922902 402719612 /nfs/dbraw/zinc/71/96/12/402719612.db2.gz KRNQOIHTRFIYFR-HNNXBMFYSA-N 2 2 317.824 2.247 10 0 DEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N(C)Cc2cccs2)[C@H](C)C1 ZINC000175728945 402827420 /nfs/dbraw/zinc/82/74/20/402827420.db2.gz GOCOIBJTNDPKER-ZBFHGGJFSA-N 2 2 323.506 2.369 10 0 DEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N(C)Cc2cccs2)[C@H](C)C1 ZINC000175728945 402827422 /nfs/dbraw/zinc/82/74/22/402827422.db2.gz GOCOIBJTNDPKER-ZBFHGGJFSA-N 2 2 323.506 2.369 10 0 DEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N(C)Cc2cccs2)[C@H](C)C1 ZINC000175728945 402827423 /nfs/dbraw/zinc/82/74/23/402827423.db2.gz GOCOIBJTNDPKER-ZBFHGGJFSA-N 2 2 323.506 2.369 10 0 DEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N(C)Cc2cccs2)[C@H](C)C1 ZINC000175728945 402827425 /nfs/dbraw/zinc/82/74/25/402827425.db2.gz GOCOIBJTNDPKER-ZBFHGGJFSA-N 2 2 323.506 2.369 10 0 DEAELP CCCC[N@@H+]1CCOC[C@H]1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000184251743 402830870 /nfs/dbraw/zinc/83/08/70/402830870.db2.gz PBGAHFBFPXEMCY-KRWDZBQOSA-N 2 2 319.449 2.188 10 0 DEAELP CCCC[N@H+]1CCOC[C@H]1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000184251743 402830871 /nfs/dbraw/zinc/83/08/71/402830871.db2.gz PBGAHFBFPXEMCY-KRWDZBQOSA-N 2 2 319.449 2.188 10 0 DEAELP Cc1csc(=O)n1CC[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515791 402848965 /nfs/dbraw/zinc/84/89/65/402848965.db2.gz JPLULOCTDSJHJT-CQSZACIVSA-N 2 2 318.446 2.047 10 0 DEAELP Cc1csc(=O)n1CC[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515791 402848967 /nfs/dbraw/zinc/84/89/67/402848967.db2.gz JPLULOCTDSJHJT-CQSZACIVSA-N 2 2 318.446 2.047 10 0 DEAELP Cc1cn2cc(NC(=O)N[C@H]3CC[N@@H+]4CCCC[C@@H]34)ccc2[nH+]1 ZINC000265711614 402942276 /nfs/dbraw/zinc/94/22/76/402942276.db2.gz LTJWTLRBYAKTPW-GJZGRUSLSA-N 2 2 313.405 2.391 10 0 DEAELP Cc1cn2cc(NC(=O)N[C@H]3CC[N@H+]4CCCC[C@@H]34)ccc2[nH+]1 ZINC000265711614 402942278 /nfs/dbraw/zinc/94/22/78/402942278.db2.gz LTJWTLRBYAKTPW-GJZGRUSLSA-N 2 2 313.405 2.391 10 0 DEAELP Cc1cc(NC[C@H]2C[NH+]3CCN2CC3)c2cc(F)ccc2[nH+]1 ZINC000301762527 403675390 /nfs/dbraw/zinc/67/53/90/403675390.db2.gz GOKZEUXMCRONKX-AWEZNQCLSA-N 2 2 300.381 2.094 10 0 DEAELP Cc1cc(NC[C@H]2CN3CC[NH+]2CC3)c2cc(F)ccc2[nH+]1 ZINC000301762527 403675394 /nfs/dbraw/zinc/67/53/94/403675394.db2.gz GOKZEUXMCRONKX-AWEZNQCLSA-N 2 2 300.381 2.094 10 0 DEAELP CCc1cc(N2CCCC[C@H]2C[NH+]2CCOCC2)nc(C)[nH+]1 ZINC000302039171 403706317 /nfs/dbraw/zinc/70/63/17/403706317.db2.gz HANZYNVBMCRIDG-INIZCTEOSA-N 2 2 304.438 2.039 10 0 DEAELP CC[N@H+](CCNC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1)C1CC1 ZINC000369821572 404238873 /nfs/dbraw/zinc/23/88/73/404238873.db2.gz ZKNMRIGGCMAAEO-ZDUSSCGKSA-N 2 2 318.465 2.239 10 0 DEAELP CC[N@@H+](CCNC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1)C1CC1 ZINC000369821572 404238878 /nfs/dbraw/zinc/23/88/78/404238878.db2.gz ZKNMRIGGCMAAEO-ZDUSSCGKSA-N 2 2 318.465 2.239 10 0 DEAELP CC[N@H+](CCNC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1)C1CC1 ZINC000369821572 404238883 /nfs/dbraw/zinc/23/88/83/404238883.db2.gz ZKNMRIGGCMAAEO-ZDUSSCGKSA-N 2 2 318.465 2.239 10 0 DEAELP CC[N@@H+](CCNC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1)C1CC1 ZINC000369821572 404238887 /nfs/dbraw/zinc/23/88/87/404238887.db2.gz ZKNMRIGGCMAAEO-ZDUSSCGKSA-N 2 2 318.465 2.239 10 0 DEAELP CCCc1ncc(C[NH2+]Cc2cc(C3CC[NH2+]CC3)no2)o1 ZINC000425896721 405328309 /nfs/dbraw/zinc/32/83/09/405328309.db2.gz QGNLVFPTQIKKML-UHFFFAOYSA-N 2 2 304.394 2.372 10 0 DEAELP C[C@H]([NH2+]C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000423060820 405697186 /nfs/dbraw/zinc/69/71/86/405697186.db2.gz JBKMMODPVROYLZ-SNRMKQJTSA-N 3 2 301.478 2.485 10 0 DEAELP C[C@H]([NH2+]C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000423060820 405697193 /nfs/dbraw/zinc/69/71/93/405697193.db2.gz JBKMMODPVROYLZ-SNRMKQJTSA-N 3 2 301.478 2.485 10 0 DEAELP COc1ccc([C@](C)(O)[C@H]2CCC[N@@H+]2CCn2cc[nH+]c2)cc1 ZINC000583619773 405777029 /nfs/dbraw/zinc/77/70/29/405777029.db2.gz FYJNYSVVNRAWRH-MSOLQXFVSA-N 2 2 315.417 2.264 10 0 DEAELP COc1ccc([C@](C)(O)[C@H]2CCC[N@H+]2CCn2cc[nH+]c2)cc1 ZINC000583619773 405777032 /nfs/dbraw/zinc/77/70/32/405777032.db2.gz FYJNYSVVNRAWRH-MSOLQXFVSA-N 2 2 315.417 2.264 10 0 DEAELP CC[NH+](CC)CC1CC[NH+]([C@H](C(=O)OC)c2cccnc2)CC1 ZINC000533460409 406143873 /nfs/dbraw/zinc/14/38/73/406143873.db2.gz UJHRSRYCBXZGKO-KRWDZBQOSA-N 2 2 319.449 2.350 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@@H](C)Cn1cc[nH+]c1)C2 ZINC000526983344 406564347 /nfs/dbraw/zinc/56/43/47/406564347.db2.gz UPIUAPRUZKOIFB-STQMWFEESA-N 2 2 315.421 2.039 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@@H](C)Cn1cc[nH+]c1)CC2 ZINC000526983344 406564352 /nfs/dbraw/zinc/56/43/52/406564352.db2.gz UPIUAPRUZKOIFB-STQMWFEESA-N 2 2 315.421 2.039 10 0 DEAELP C[C@H](C[NH+]1CCCCC1)Nc1nc(N)[nH+]cc1Br ZINC000131041398 196134491 /nfs/dbraw/zinc/13/44/91/196134491.db2.gz DYIGNFHOXCOHKK-SECBINFHSA-N 2 2 314.231 2.108 10 0 DEAELP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000131443099 196170097 /nfs/dbraw/zinc/17/00/97/196170097.db2.gz IASPXBSGIBXNBD-CQSZACIVSA-N 2 2 320.355 2.030 10 0 DEAELP O=S(=O)(C[C@H]1CCCC[NH2+]1)Nc1cccc2cc[nH+]cc21 ZINC000131553166 196179592 /nfs/dbraw/zinc/17/95/92/196179592.db2.gz WFZIQPLTVUOPKO-CYBMUJFWSA-N 2 2 305.403 2.119 10 0 DEAELP C[C@H](CNc1nc(N)[nH+]cc1Br)[NH+]1CCCCC1 ZINC000132128302 196228907 /nfs/dbraw/zinc/22/89/07/196228907.db2.gz IKHMSRKTNNPAAT-SECBINFHSA-N 2 2 314.231 2.108 10 0 DEAELP CC[C@@H](CCO)[NH2+][C@H](C[NH3+])c1ccc(F)c(Br)c1 ZINC000134373188 196382850 /nfs/dbraw/zinc/38/28/50/196382850.db2.gz RWFICLKHSOFOIS-GXFFZTMASA-N 2 2 319.218 2.339 10 0 DEAELP O=C1C[C@@H]([NH2+]C[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CCCN1 ZINC000379637647 424907945 /nfs/dbraw/zinc/90/79/45/424907945.db2.gz SVSPGPDJFZHQLJ-ROUUACIJSA-N 2 2 315.461 2.299 10 0 DEAELP O=C1C[C@@H]([NH2+]C[C@@H]2CCCC[N@H+]2Cc2ccccc2)CCCN1 ZINC000379637647 424907947 /nfs/dbraw/zinc/90/79/47/424907947.db2.gz SVSPGPDJFZHQLJ-ROUUACIJSA-N 2 2 315.461 2.299 10 0 DEAELP O=C1C[C@@H]([NH2+]C[C@H]2CCCC[N@@H+]2Cc2ccccc2)CCCN1 ZINC000379637650 424907987 /nfs/dbraw/zinc/90/79/87/424907987.db2.gz SVSPGPDJFZHQLJ-ZWKOTPCHSA-N 2 2 315.461 2.299 10 0 DEAELP O=C1C[C@@H]([NH2+]C[C@H]2CCCC[N@H+]2Cc2ccccc2)CCCN1 ZINC000379637650 424907988 /nfs/dbraw/zinc/90/79/88/424907988.db2.gz SVSPGPDJFZHQLJ-ZWKOTPCHSA-N 2 2 315.461 2.299 10 0 DEAELP Cc1ccc(C2CC[NH+](CC(=O)NCc3cccnc3)CC2)c[nH+]1 ZINC000363671800 269067894 /nfs/dbraw/zinc/06/78/94/269067894.db2.gz KWKBOIQWOKINDC-UHFFFAOYSA-N 2 2 324.428 2.281 10 0 DEAELP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCCCOCc1ccccc1 ZINC000390553587 269097373 /nfs/dbraw/zinc/09/73/73/269097373.db2.gz FPUJORLPCWZMAK-SJLPKXTDSA-N 2 2 306.450 2.340 10 0 DEAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)C2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000495606444 269159780 /nfs/dbraw/zinc/15/97/80/269159780.db2.gz YBHFMNLPFLYBHG-ZFWWWQNUSA-N 2 2 311.470 2.316 10 0 DEAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H](C)C2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000495606444 269159782 /nfs/dbraw/zinc/15/97/82/269159782.db2.gz YBHFMNLPFLYBHG-ZFWWWQNUSA-N 2 2 311.470 2.316 10 0 DEAELP C[C@@H]1CCCN(c2cc(NC[C@@H](C3CC3)[NH+](C)C)nc[nH+]2)C1 ZINC000301979283 533702598 /nfs/dbraw/zinc/70/25/98/533702598.db2.gz HGYFEPWEPSEEGP-HIFRSBDPSA-N 2 2 303.454 2.465 10 0 DEAELP Cc1ccccc1C(=O)NC1CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000131829522 525051371 /nfs/dbraw/zinc/05/13/71/525051371.db2.gz XOBODAOQITXYAD-UHFFFAOYSA-N 2 2 312.417 2.086 10 0 DEAELP CC1(C)CCC[NH2+][C@@H]1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000261559408 535295830 /nfs/dbraw/zinc/29/58/30/535295830.db2.gz ZBGNQKQQVVWUBU-QGZVFWFLSA-N 2 2 315.461 2.109 10 0 DEAELP COc1ccc(C[C@H](C)C[N@@H+]2CCO[C@@H](C[NH+](C)C)C2)cc1F ZINC000248873483 536516719 /nfs/dbraw/zinc/51/67/19/536516719.db2.gz LAWNXUJGOYIKTD-HOCLYGCPSA-N 2 2 324.440 2.275 10 0 DEAELP COc1ccc(C[C@H](C)C[N@H+]2CCO[C@@H](C[NH+](C)C)C2)cc1F ZINC000248873483 536516725 /nfs/dbraw/zinc/51/67/25/536516725.db2.gz LAWNXUJGOYIKTD-HOCLYGCPSA-N 2 2 324.440 2.275 10 0 DEAELP C[C@H]1C[N@H+](Cc2cnc(NC(=O)C(C)(C)C)s2)CC[C@H]1[NH3+] ZINC000725272072 563578061 /nfs/dbraw/zinc/57/80/61/563578061.db2.gz LYFVFQSVPLBSPT-CMPLNLGQSA-N 2 2 310.467 2.297 10 0 DEAELP C[C@H]1C[N@@H+](Cc2cnc(NC(=O)C(C)(C)C)s2)CC[C@H]1[NH3+] ZINC000725272072 563578063 /nfs/dbraw/zinc/57/80/63/563578063.db2.gz LYFVFQSVPLBSPT-CMPLNLGQSA-N 2 2 310.467 2.297 10 0 DEAELP O=C(NCC[NH+]1CCCCCC1)Nc1ccc2[nH+]ccn2c1 ZINC000738951917 637545157 /nfs/dbraw/zinc/54/51/57/637545157.db2.gz MJQAVTSDBFMAFE-UHFFFAOYSA-N 2 2 301.394 2.332 10 0 DEAELP C[C@H]1CCC[N@H+](Cc2cn(C)nc2Br)[C@H]1CC[NH3+] ZINC000712435197 792186817 /nfs/dbraw/zinc/18/68/17/792186817.db2.gz LWDXGHUAWUSRDZ-JQWIXIFHSA-N 2 2 315.259 2.132 10 0 DEAELP C[C@H]1CCC[N@@H+](Cc2cn(C)nc2Br)[C@H]1CC[NH3+] ZINC000712435197 792186822 /nfs/dbraw/zinc/18/68/22/792186822.db2.gz LWDXGHUAWUSRDZ-JQWIXIFHSA-N 2 2 315.259 2.132 10 0 DEAELP C[C@@H]1CCC[N@H+](Cc2cn(C)nc2Br)[C@H]1CC[NH3+] ZINC000712435202 792187529 /nfs/dbraw/zinc/18/75/29/792187529.db2.gz LWDXGHUAWUSRDZ-PWSUYJOCSA-N 2 2 315.259 2.132 10 0 DEAELP C[C@@H]1CCC[N@@H+](Cc2cn(C)nc2Br)[C@H]1CC[NH3+] ZINC000712435202 792187535 /nfs/dbraw/zinc/18/75/35/792187535.db2.gz LWDXGHUAWUSRDZ-PWSUYJOCSA-N 2 2 315.259 2.132 10 0 DEAELP C[C@@H]1C[C@H]([NH2+]CCn2cc[nH+]c2)CN(C(=O)OC(C)(C)C)C1 ZINC000401726744 801845801 /nfs/dbraw/zinc/84/58/01/801845801.db2.gz MDZYZROFROPMHM-KGLIPLIRSA-N 2 2 308.426 2.118 10 0 DEAELP C[C@@H](C[NH2+]CC1CN(C(=O)OC(C)(C)C)C1)[NH+]1CCCCC1 ZINC000710836091 1086689460 /nfs/dbraw/zinc/68/94/60/1086689460.db2.gz IKGPSIFSUJTHTD-AWEZNQCLSA-N 2 2 311.470 2.317 10 0 DEAELP C[C@@H](CCCO)[NH2+][C@H](C[NH3+])c1ccc(Br)s1 ZINC000087359077 185222623 /nfs/dbraw/zinc/22/26/23/185222623.db2.gz QHXZNZJRJOIJFA-DTWKUNHWSA-N 2 2 307.257 2.261 10 0 DEAELP COC(=O)[C@@](C)(CCC[N@H+](C)CCC(F)(F)F)[NH2+]C1CC1 ZINC000088434661 185250094 /nfs/dbraw/zinc/25/00/94/185250094.db2.gz BTFCHJXKJPAHJO-CYBMUJFWSA-N 2 2 310.360 2.335 10 0 DEAELP COC(=O)[C@@](C)(CCC[N@@H+](C)CCC(F)(F)F)[NH2+]C1CC1 ZINC000088434661 185250095 /nfs/dbraw/zinc/25/00/95/185250095.db2.gz BTFCHJXKJPAHJO-CYBMUJFWSA-N 2 2 310.360 2.335 10 0 DEAELP C[C@H](c1ccccc1Br)[NH+]1CCN(C2C[NH2+]C2)CC1 ZINC000090306492 185290300 /nfs/dbraw/zinc/29/03/00/185290300.db2.gz RYVMXVROZQNIDT-GFCCVEGCSA-N 2 2 324.266 2.100 10 0 DEAELP C[NH2+][C@H]1COC[C@H]1C[N@H+](C)Cc1ccccc1Br ZINC000090438780 185296582 /nfs/dbraw/zinc/29/65/82/185296582.db2.gz HDSVWQMJSWERLD-OCCSQVGLSA-N 2 2 313.239 2.115 10 0 DEAELP C[NH2+][C@H]1COC[C@H]1C[N@@H+](C)Cc1ccccc1Br ZINC000090438780 185296583 /nfs/dbraw/zinc/29/65/83/185296583.db2.gz HDSVWQMJSWERLD-OCCSQVGLSA-N 2 2 313.239 2.115 10 0 DEAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CCCn2ccnc2)C1 ZINC000195298636 530006375 /nfs/dbraw/zinc/00/63/75/530006375.db2.gz FCIOOLZINYTXST-SFHVURJKSA-N 2 2 313.449 2.122 10 0 DEAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CCCn2ccnc2)C1 ZINC000195298636 530006376 /nfs/dbraw/zinc/00/63/76/530006376.db2.gz FCIOOLZINYTXST-SFHVURJKSA-N 2 2 313.449 2.122 10 0 DEAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](CCCn2ccnc2)C1 ZINC000195298636 530006378 /nfs/dbraw/zinc/00/63/78/530006378.db2.gz FCIOOLZINYTXST-SFHVURJKSA-N 2 2 313.449 2.122 10 0 DEAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](CCCn2ccnc2)C1 ZINC000195298636 530006380 /nfs/dbraw/zinc/00/63/80/530006380.db2.gz FCIOOLZINYTXST-SFHVURJKSA-N 2 2 313.449 2.122 10 0 DEAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CCCn2cc[nH+]c2)C1 ZINC000195298636 530006381 /nfs/dbraw/zinc/00/63/81/530006381.db2.gz FCIOOLZINYTXST-SFHVURJKSA-N 3 2 313.449 2.122 10 0 DEAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CCCn2cc[nH+]c2)C1 ZINC000195298636 530006383 /nfs/dbraw/zinc/00/63/83/530006383.db2.gz FCIOOLZINYTXST-SFHVURJKSA-N 3 2 313.449 2.122 10 0 DEAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000195298636 530006384 /nfs/dbraw/zinc/00/63/84/530006384.db2.gz FCIOOLZINYTXST-SFHVURJKSA-N 3 2 313.449 2.122 10 0 DEAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000195298636 530006386 /nfs/dbraw/zinc/00/63/86/530006386.db2.gz FCIOOLZINYTXST-SFHVURJKSA-N 3 2 313.449 2.122 10 0 DEAELP C[C@H]([NH2+]CCn1cc[nH+]c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000279679749 215055341 /nfs/dbraw/zinc/05/53/41/215055341.db2.gz GXSDHHHSSJHDDB-KBPBESRZSA-N 2 2 308.426 2.118 10 0 DEAELP Cc1[nH+]c2ccccc2n1C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000279822128 215176192 /nfs/dbraw/zinc/17/61/92/215176192.db2.gz PMXRXDYRPDCXNM-UHFFFAOYSA-N 2 2 323.400 2.405 10 0 DEAELP CCNc1nc(N(C)CCC[NH+](C)C)c(Br)c[nH+]1 ZINC000133616427 186000017 /nfs/dbraw/zinc/00/00/17/186000017.db2.gz UPSIUSIPAWFOPG-UHFFFAOYSA-N 2 2 316.247 2.059 10 0 DEAELP CC[C@]1(C(=O)c2c(Cl)cnn2CC[NH+](C)C)CCC[NH2+]C1 ZINC000164236340 186153369 /nfs/dbraw/zinc/15/33/69/186153369.db2.gz GDUFBGQKUYHBSG-HNNXBMFYSA-N 2 2 312.845 2.061 10 0 DEAELP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000172054975 198032196 /nfs/dbraw/zinc/03/21/96/198032196.db2.gz KVBYBKMAWIVXNS-RHSMWYFYSA-N 2 2 310.401 2.181 10 0 DEAELP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000172054975 198032197 /nfs/dbraw/zinc/03/21/97/198032197.db2.gz KVBYBKMAWIVXNS-RHSMWYFYSA-N 2 2 310.401 2.181 10 0 DEAELP CC[NH+](CC)[C@H](C)CNC(=O)NCc1[nH+]ccn1CC(C)C ZINC000073654240 191337366 /nfs/dbraw/zinc/33/73/66/191337366.db2.gz YBGOWTRBBYPIPJ-CQSZACIVSA-N 2 2 309.458 2.069 10 0 DEAELP NC(=S)[C@@H](C[N@@H+]1CCC[NH+]2CCC[C@@H]2C1)c1ccccc1 ZINC000080797745 192192393 /nfs/dbraw/zinc/19/23/93/192192393.db2.gz WLPZCBGAAJWUSQ-CVEARBPZSA-N 2 2 303.475 2.226 10 0 DEAELP NC(=S)[C@@H](C[N@H+]1CCC[NH+]2CCC[C@@H]2C1)c1ccccc1 ZINC000080797745 192192396 /nfs/dbraw/zinc/19/23/96/192192396.db2.gz WLPZCBGAAJWUSQ-CVEARBPZSA-N 2 2 303.475 2.226 10 0 DEAELP NC(=S)[C@@H](C[NH+]1CCC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000080797745 192192398 /nfs/dbraw/zinc/19/23/98/192192398.db2.gz WLPZCBGAAJWUSQ-CVEARBPZSA-N 2 2 303.475 2.226 10 0 DEAELP NC(=S)[C@@H](C[NH+]1CCC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000080797745 192192400 /nfs/dbraw/zinc/19/24/00/192192400.db2.gz WLPZCBGAAJWUSQ-CVEARBPZSA-N 2 2 303.475 2.226 10 0 DEAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)nc[nH+]1 ZINC000245752208 356310589 /nfs/dbraw/zinc/31/05/89/356310589.db2.gz HFVKWAHTONTMNS-XGUBFFRZSA-N 2 2 319.453 2.033 10 0 DEAELP C[C@H](c1nc(C2CC2)no1)[N@H+](C)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328655569 356466594 /nfs/dbraw/zinc/46/65/94/356466594.db2.gz YMCDIKDSUWZHIH-NEPJUHHUSA-N 2 2 301.394 2.399 10 0 DEAELP C[C@H](c1nc(C2CC2)no1)[N@@H+](C)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328655569 356466600 /nfs/dbraw/zinc/46/66/00/356466600.db2.gz YMCDIKDSUWZHIH-NEPJUHHUSA-N 2 2 301.394 2.399 10 0 DEAELP OCC[NH+]1CCC([NH2+]Cc2sccc2Br)CC1 ZINC000399218428 356721165 /nfs/dbraw/zinc/72/11/65/356721165.db2.gz JPVOQACAZJHBKS-UHFFFAOYSA-N 2 2 319.268 2.057 10 0 DEAELP CCC[N@H+](Cc1noc(C[NH3+])n1)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000261621922 283301627 /nfs/dbraw/zinc/30/16/27/283301627.db2.gz DCYHAGILTKAOTF-KGLIPLIRSA-N 2 2 322.453 2.478 10 0 DEAELP CCC[N@@H+](Cc1noc(C[NH3+])n1)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000261621922 283301628 /nfs/dbraw/zinc/30/16/28/283301628.db2.gz DCYHAGILTKAOTF-KGLIPLIRSA-N 2 2 322.453 2.478 10 0 DEAELP O=C(C[C@@H]1CSCC[NH2+]1)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000091135100 193000986 /nfs/dbraw/zinc/00/09/86/193000986.db2.gz NOMMCOIBOHWDKZ-CYBMUJFWSA-N 2 2 302.403 2.110 10 0 DEAELP C[N@H+](Cc1cccc(Cl)c1)[C@@H](C[NH3+])CC(=O)NC(C)(C)C ZINC000091321124 193040346 /nfs/dbraw/zinc/04/03/46/193040346.db2.gz LXACOWCWQSANDP-CQSZACIVSA-N 2 2 311.857 2.404 10 0 DEAELP C[N@@H+](Cc1cccc(Cl)c1)[C@@H](C[NH3+])CC(=O)NC(C)(C)C ZINC000091321124 193040349 /nfs/dbraw/zinc/04/03/49/193040349.db2.gz LXACOWCWQSANDP-CQSZACIVSA-N 2 2 311.857 2.404 10 0 DEAELP CCN(CC)C(=O)C[C@@H](C[NH3+])[N@H+](C)Cc1cccc(Cl)c1 ZINC000091322724 193041081 /nfs/dbraw/zinc/04/10/81/193041081.db2.gz QORVQYZDAMBMDL-HNNXBMFYSA-N 2 2 311.857 2.358 10 0 DEAELP CCN(CC)C(=O)C[C@@H](C[NH3+])[N@@H+](C)Cc1cccc(Cl)c1 ZINC000091322724 193041084 /nfs/dbraw/zinc/04/10/84/193041084.db2.gz QORVQYZDAMBMDL-HNNXBMFYSA-N 2 2 311.857 2.358 10 0 DEAELP CCC[NH2+][C@@H](CCCS(C)(=O)=O)C1([NH+](C)C)CCCC1 ZINC000091638439 193082292 /nfs/dbraw/zinc/08/22/92/193082292.db2.gz JXLXNNVUZULDJJ-AWEZNQCLSA-N 2 2 304.500 2.054 10 0 DEAELP c1ccc(-c2noc(CC[N@@H+]3CCC[C@H]4C[NH2+]CC[C@H]43)n2)cc1 ZINC000631886121 368440939 /nfs/dbraw/zinc/44/09/39/368440939.db2.gz FXIXDTLOETZCDI-JKSUJKDBSA-N 2 2 312.417 2.353 10 0 DEAELP c1ccc(-c2noc(CC[N@H+]3CCC[C@H]4C[NH2+]CC[C@H]43)n2)cc1 ZINC000631886121 368440943 /nfs/dbraw/zinc/44/09/43/368440943.db2.gz FXIXDTLOETZCDI-JKSUJKDBSA-N 2 2 312.417 2.353 10 0 DEAELP C[N@H+](CC(C)(C)O)[C@@H](C[NH3+])c1cccc(Br)c1 ZINC000092958494 193188529 /nfs/dbraw/zinc/18/85/29/193188529.db2.gz CBCRLRFIUPJVRJ-LBPRGKRZSA-N 2 2 301.228 2.152 10 0 DEAELP C[N@@H+](CC(C)(C)O)[C@@H](C[NH3+])c1cccc(Br)c1 ZINC000092958494 193188530 /nfs/dbraw/zinc/18/85/30/193188530.db2.gz CBCRLRFIUPJVRJ-LBPRGKRZSA-N 2 2 301.228 2.152 10 0 DEAELP C[C@H]1C[C@@H]([NH+](C)Cc2ccccc2N2CCOCC2)CC[N@@H+]1C ZINC000093644808 193281546 /nfs/dbraw/zinc/28/15/46/193281546.db2.gz MPYZHOQSAUYFTH-WMZOPIPTSA-N 2 2 317.477 2.438 10 0 DEAELP C[C@H]1C[C@@H]([NH+](C)Cc2ccccc2N2CCOCC2)CC[N@H+]1C ZINC000093644808 193281548 /nfs/dbraw/zinc/28/15/48/193281548.db2.gz MPYZHOQSAUYFTH-WMZOPIPTSA-N 2 2 317.477 2.438 10 0 DEAELP C[C@H]1C[C@@H]([N@H+](C)Cc2ccccc2N2CCOCC2)CC[NH+]1C ZINC000093644808 193281550 /nfs/dbraw/zinc/28/15/50/193281550.db2.gz MPYZHOQSAUYFTH-WMZOPIPTSA-N 2 2 317.477 2.438 10 0 DEAELP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccccc2N2CCOCC2)CC[NH+]1C ZINC000093644808 193281552 /nfs/dbraw/zinc/28/15/52/193281552.db2.gz MPYZHOQSAUYFTH-WMZOPIPTSA-N 2 2 317.477 2.438 10 0 DEAELP CC[NH2+][C@@H](c1ccc(Cl)c(OC)c1)[C@H]1C[N@H+](C)CCN1C ZINC000094009139 193338392 /nfs/dbraw/zinc/33/83/92/193338392.db2.gz MYTSIOIJHPGMTE-ZBFHGGJFSA-N 2 2 311.857 2.245 10 0 DEAELP CC[NH2+][C@@H](c1ccc(Cl)c(OC)c1)[C@H]1C[N@@H+](C)CCN1C ZINC000094009139 193338394 /nfs/dbraw/zinc/33/83/94/193338394.db2.gz MYTSIOIJHPGMTE-ZBFHGGJFSA-N 2 2 311.857 2.245 10 0 DEAELP C[NH2+][C@H]1[C@@H](C[NH+]2CCN(c3nccs3)CC2)CCC1(C)C ZINC000094315989 193359307 /nfs/dbraw/zinc/35/93/07/193359307.db2.gz SKPZDFSHAIAGIO-KGLIPLIRSA-N 2 2 308.495 2.289 10 0 DEAELP C[NH2+][C@@H](Cc1ccc(Cl)c(Cl)c1)[C@@H]1C[NH+]2CCN1CC2 ZINC000094509389 193375700 /nfs/dbraw/zinc/37/57/00/193375700.db2.gz CXPYPOPWBXYJAV-GJZGRUSLSA-N 2 2 314.260 2.124 10 0 DEAELP C[NH2+][C@@H](Cc1csc2ccccc12)[C@@H]1C[NH+]2CCN1CC2 ZINC000094509185 193375794 /nfs/dbraw/zinc/37/57/94/193375794.db2.gz GIDIRLLVWAELTL-HOTGVXAUSA-N 2 2 301.459 2.032 10 0 DEAELP C[NH+](C)CCCCNc1[nH+]c2c(cc1C(N)=S)CCCC2 ZINC000041681094 183216016 /nfs/dbraw/zinc/21/60/16/183216016.db2.gz ZEYZAJPFDFUFSX-UHFFFAOYSA-N 2 2 306.479 2.348 10 0 DEAELP Cc1cc(C)c(C(N)=S)c(N2CCC[N@@H+]3CCC[C@@H]3C2)[nH+]1 ZINC000062943026 184261628 /nfs/dbraw/zinc/26/16/28/184261628.db2.gz MXERYANMTYKHNI-CYBMUJFWSA-N 2 2 304.463 2.007 10 0 DEAELP Cc1cc(C)c(C(N)=S)c(N2CCC[N@H+]3CCC[C@@H]3C2)[nH+]1 ZINC000062943026 184261629 /nfs/dbraw/zinc/26/16/29/184261629.db2.gz MXERYANMTYKHNI-CYBMUJFWSA-N 2 2 304.463 2.007 10 0 DEAELP CC(C)(C)[NH2+]Cc1ccc(Sc2nc(N)cc(N)[nH+]2)nc1 ZINC000158923716 197311215 /nfs/dbraw/zinc/31/12/15/197311215.db2.gz XDHOPJXZZOQFBF-UHFFFAOYSA-N 2 2 304.423 2.075 10 0 DEAELP C[C@H](CCn1cccn1)[NH2+][C@H](Cc1ccccc1)C[NH+](C)C ZINC000158673003 197292523 /nfs/dbraw/zinc/29/25/23/197292523.db2.gz VJUJQBKZEKAUBG-SJLPKXTDSA-N 2 2 300.450 2.424 10 0 DEAELP C[C@H]1C[N@H+](Cc2cnc(NC(=O)C3(C)CC3)s2)CC[C@@H]1[NH3+] ZINC000725272976 542770938 /nfs/dbraw/zinc/77/09/38/542770938.db2.gz WQJBFXIJMTZXEG-JQWIXIFHSA-N 2 2 308.451 2.051 10 0 DEAELP C[C@H]1C[N@@H+](Cc2cnc(NC(=O)C3(C)CC3)s2)CC[C@@H]1[NH3+] ZINC000725272976 542770940 /nfs/dbraw/zinc/77/09/40/542770940.db2.gz WQJBFXIJMTZXEG-JQWIXIFHSA-N 2 2 308.451 2.051 10 0 DEAELP Cc1cccc(C)c1NC(=O)[C@H](C)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193657359 145088695 /nfs/dbraw/zinc/08/86/95/145088695.db2.gz UJAUGUOIULSDFL-HRCADAONSA-N 2 2 301.434 2.124 10 0 DEAELP Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193657359 145088692 /nfs/dbraw/zinc/08/86/92/145088692.db2.gz UJAUGUOIULSDFL-HRCADAONSA-N 2 2 301.434 2.124 10 0 DEAELP Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193657359 145088693 /nfs/dbraw/zinc/08/86/93/145088693.db2.gz UJAUGUOIULSDFL-HRCADAONSA-N 2 2 301.434 2.124 10 0 DEAELP Cc1cccc(C)c1NC(=O)[C@H](C)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193657359 145088694 /nfs/dbraw/zinc/08/86/94/145088694.db2.gz UJAUGUOIULSDFL-HRCADAONSA-N 2 2 301.434 2.124 10 0 DEAELP C[C@H]1CC[N@H+](CC(=O)N(C)Cc2ccco2)C[C@H]1n1cc[nH+]c1 ZINC000246300427 145098048 /nfs/dbraw/zinc/09/80/48/145098048.db2.gz PRRYYHZICDFZCI-GOEBONIOSA-N 2 2 316.405 2.018 10 0 DEAELP C[C@H]1CC[N@@H+](CC(=O)N(C)Cc2ccco2)C[C@H]1n1cc[nH+]c1 ZINC000246300427 145098050 /nfs/dbraw/zinc/09/80/50/145098050.db2.gz PRRYYHZICDFZCI-GOEBONIOSA-N 2 2 316.405 2.018 10 0 DEAELP Cc1cccc(CNC(=O)C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000246562433 145106928 /nfs/dbraw/zinc/10/69/28/145106928.db2.gz DOYKTCJACSPCBL-RDJZCZTQSA-N 2 2 303.450 2.026 10 0 DEAELP Cc1cccc(CNC(=O)C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000246562433 145106929 /nfs/dbraw/zinc/10/69/29/145106929.db2.gz DOYKTCJACSPCBL-RDJZCZTQSA-N 2 2 303.450 2.026 10 0 DEAELP Cc1cccc(CNC(=O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000246562433 145106931 /nfs/dbraw/zinc/10/69/31/145106931.db2.gz DOYKTCJACSPCBL-RDJZCZTQSA-N 2 2 303.450 2.026 10 0 DEAELP Cc1cccc(CNC(=O)C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000246562433 145106934 /nfs/dbraw/zinc/10/69/34/145106934.db2.gz DOYKTCJACSPCBL-RDJZCZTQSA-N 2 2 303.450 2.026 10 0 DEAELP Cc1ccccc1CCNC(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246762716 145113400 /nfs/dbraw/zinc/11/34/00/145113400.db2.gz NTUCZGYIUSVMCH-WMZOPIPTSA-N 2 2 317.477 2.068 10 0 DEAELP Cc1ccccc1CCNC(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246762716 145113401 /nfs/dbraw/zinc/11/34/01/145113401.db2.gz NTUCZGYIUSVMCH-WMZOPIPTSA-N 2 2 317.477 2.068 10 0 DEAELP Cc1ccccc1CCNC(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246762716 145113402 /nfs/dbraw/zinc/11/34/02/145113402.db2.gz NTUCZGYIUSVMCH-WMZOPIPTSA-N 2 2 317.477 2.068 10 0 DEAELP Cc1ccccc1CCNC(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246762716 145113403 /nfs/dbraw/zinc/11/34/03/145113403.db2.gz NTUCZGYIUSVMCH-WMZOPIPTSA-N 2 2 317.477 2.068 10 0 DEAELP C[C@@H]1C[N@@H+](C2CC[NH+](C[C@@](C)(O)c3ccccc3)CC2)CCO1 ZINC000247577615 145141555 /nfs/dbraw/zinc/14/15/55/145141555.db2.gz IALSCYWQBDDHBA-VQIMIIECSA-N 2 2 318.461 2.079 10 0 DEAELP C[C@@H]1C[N@H+](C2CC[NH+](C[C@@](C)(O)c3ccccc3)CC2)CCO1 ZINC000247577615 145141557 /nfs/dbraw/zinc/14/15/57/145141557.db2.gz IALSCYWQBDDHBA-VQIMIIECSA-N 2 2 318.461 2.079 10 0 DEAELP C[C@H]1CCc2ccccc2N1C(=O)C[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261904495 145240425 /nfs/dbraw/zinc/24/04/25/145240425.db2.gz WWDVPIFZTPDPJT-YOEHRIQHSA-N 2 2 315.461 2.414 10 0 DEAELP C[C@H]1CCc2ccccc2N1C(=O)C[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261904495 145240427 /nfs/dbraw/zinc/24/04/27/145240427.db2.gz WWDVPIFZTPDPJT-YOEHRIQHSA-N 2 2 315.461 2.414 10 0 DEAELP COCC[C@H](COC)[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000309701185 145350518 /nfs/dbraw/zinc/35/05/18/145350518.db2.gz GBQSNUJPEVSGRA-KBAYOESNSA-N 2 2 306.450 2.291 10 0 DEAELP COCC[C@H](COC)[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000309701185 145350521 /nfs/dbraw/zinc/35/05/21/145350521.db2.gz GBQSNUJPEVSGRA-KBAYOESNSA-N 2 2 306.450 2.291 10 0 DEAELP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2COc3ccccc3O2)C[N@@H+]1C1CC1 ZINC000358297047 147108336 /nfs/dbraw/zinc/10/83/36/147108336.db2.gz LOFFPQKEQVBOFR-IIAWOOMASA-N 2 2 302.418 2.431 10 0 DEAELP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2COc3ccccc3O2)C[N@H+]1C1CC1 ZINC000358297047 147108338 /nfs/dbraw/zinc/10/83/38/147108338.db2.gz LOFFPQKEQVBOFR-IIAWOOMASA-N 2 2 302.418 2.431 10 0 DEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000074536508 401741884 /nfs/dbraw/zinc/74/18/84/401741884.db2.gz PQNQAROQRVALLT-UHFFFAOYSA-N 2 2 321.469 2.211 10 0 DEAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)c2ccncc2)nc[nH+]1 ZINC000111227156 401701525 /nfs/dbraw/zinc/70/15/25/401701525.db2.gz NBPAKKRERLVBBF-UKRRQHHQSA-N 2 2 312.421 2.233 10 0 DEAELP Cc1cc(N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)c2cccc(F)c2[nH+]1 ZINC000130261002 401825069 /nfs/dbraw/zinc/82/50/69/401825069.db2.gz WQPXTAIIOABKJS-JKSUJKDBSA-N 2 2 301.365 2.202 10 0 DEAELP Cc1cc(N2C[C@H]3OCC[N@H+](C)[C@H]3C2)c2cccc(F)c2[nH+]1 ZINC000130261002 401825070 /nfs/dbraw/zinc/82/50/70/401825070.db2.gz WQPXTAIIOABKJS-JKSUJKDBSA-N 2 2 301.365 2.202 10 0 DEAELP CCCCOC(=O)[C@@H](C)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000119236489 401934896 /nfs/dbraw/zinc/93/48/96/401934896.db2.gz PZGXTKQBPGQVAS-CQSZACIVSA-N 2 2 307.438 2.406 10 0 DEAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2nc(-c3ccoc3)no2)[C@H](C)C1 ZINC000081095940 401893575 /nfs/dbraw/zinc/89/35/75/401893575.db2.gz OPBUAIVIWZGIRJ-OCCSQVGLSA-N 2 2 304.394 2.492 10 0 DEAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2nc(-c3ccoc3)no2)[C@H](C)C1 ZINC000081095940 401893577 /nfs/dbraw/zinc/89/35/77/401893577.db2.gz OPBUAIVIWZGIRJ-OCCSQVGLSA-N 2 2 304.394 2.492 10 0 DEAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2nc(-c3ccoc3)no2)[C@H](C)C1 ZINC000081095940 401893579 /nfs/dbraw/zinc/89/35/79/401893579.db2.gz OPBUAIVIWZGIRJ-OCCSQVGLSA-N 2 2 304.394 2.492 10 0 DEAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2nc(-c3ccoc3)no2)[C@H](C)C1 ZINC000081095940 401893580 /nfs/dbraw/zinc/89/35/80/401893580.db2.gz OPBUAIVIWZGIRJ-OCCSQVGLSA-N 2 2 304.394 2.492 10 0 DEAELP CCO[C@H](C)c1noc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)n1 ZINC000120670683 401997667 /nfs/dbraw/zinc/99/76/67/401997667.db2.gz HUSWUPQABQIXQR-CQSZACIVSA-N 2 2 322.453 2.475 10 0 DEAELP CCc1ccc([C@H]2CCCC[N@@H+]2CC(=O)N2CC[NH+](C)CC2)o1 ZINC000093175989 402012888 /nfs/dbraw/zinc/01/28/88/402012888.db2.gz SOBCLNHTJWNCPS-MRXNPFEDSA-N 2 2 319.449 2.143 10 0 DEAELP CCc1ccc([C@H]2CCCC[N@H+]2CC(=O)N2CC[NH+](C)CC2)o1 ZINC000093175989 402012889 /nfs/dbraw/zinc/01/28/89/402012889.db2.gz SOBCLNHTJWNCPS-MRXNPFEDSA-N 2 2 319.449 2.143 10 0 DEAELP C[C@@H]1C[C@@H]([NH+](C)CC(=O)N(C)CC2CCCCC2)CC[N@@H+]1C ZINC000123113305 402111305 /nfs/dbraw/zinc/11/13/05/402111305.db2.gz XJQVZYAQPIQZCP-WBVHZDCISA-N 2 2 309.498 2.440 10 0 DEAELP C[C@@H]1C[C@@H]([NH+](C)CC(=O)N(C)CC2CCCCC2)CC[N@H+]1C ZINC000123113305 402111308 /nfs/dbraw/zinc/11/13/08/402111308.db2.gz XJQVZYAQPIQZCP-WBVHZDCISA-N 2 2 309.498 2.440 10 0 DEAELP C[C@@H]1C[C@@H]([N@H+](C)CC(=O)N(C)CC2CCCCC2)CC[NH+]1C ZINC000123113305 402111311 /nfs/dbraw/zinc/11/13/11/402111311.db2.gz XJQVZYAQPIQZCP-WBVHZDCISA-N 2 2 309.498 2.440 10 0 DEAELP C[C@@H]1C[C@@H]([N@@H+](C)CC(=O)N(C)CC2CCCCC2)CC[NH+]1C ZINC000123113305 402111315 /nfs/dbraw/zinc/11/13/15/402111315.db2.gz XJQVZYAQPIQZCP-WBVHZDCISA-N 2 2 309.498 2.440 10 0 DEAELP C[C@H]1C[C@@H]([NH+](C)Cc2cccc(C(=O)N(C)C)c2)CC[N@@H+]1C ZINC000123117017 402111688 /nfs/dbraw/zinc/11/16/88/402111688.db2.gz XEOXULBCLNANRT-YOEHRIQHSA-N 2 2 303.450 2.303 10 0 DEAELP C[C@H]1C[C@@H]([NH+](C)Cc2cccc(C(=O)N(C)C)c2)CC[N@H+]1C ZINC000123117017 402111690 /nfs/dbraw/zinc/11/16/90/402111690.db2.gz XEOXULBCLNANRT-YOEHRIQHSA-N 2 2 303.450 2.303 10 0 DEAELP C[C@H]1C[C@@H]([N@H+](C)Cc2cccc(C(=O)N(C)C)c2)CC[NH+]1C ZINC000123117017 402111694 /nfs/dbraw/zinc/11/16/94/402111694.db2.gz XEOXULBCLNANRT-YOEHRIQHSA-N 2 2 303.450 2.303 10 0 DEAELP C[C@H]1C[C@@H]([N@@H+](C)Cc2cccc(C(=O)N(C)C)c2)CC[NH+]1C ZINC000123117017 402111696 /nfs/dbraw/zinc/11/16/96/402111696.db2.gz XEOXULBCLNANRT-YOEHRIQHSA-N 2 2 303.450 2.303 10 0 DEAELP COc1ccccc1NC(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123286180 402119695 /nfs/dbraw/zinc/11/96/95/402119695.db2.gz WAICJHOTXARACC-KBPBESRZSA-N 2 2 305.422 2.048 10 0 DEAELP COc1ccccc1NC(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123286180 402119698 /nfs/dbraw/zinc/11/96/98/402119698.db2.gz WAICJHOTXARACC-KBPBESRZSA-N 2 2 305.422 2.048 10 0 DEAELP COc1ccccc1NC(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000123286180 402119702 /nfs/dbraw/zinc/11/97/02/402119702.db2.gz WAICJHOTXARACC-KBPBESRZSA-N 2 2 305.422 2.048 10 0 DEAELP COc1ccccc1NC(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000123286180 402119705 /nfs/dbraw/zinc/11/97/05/402119705.db2.gz WAICJHOTXARACC-KBPBESRZSA-N 2 2 305.422 2.048 10 0 DEAELP C[C@H]1C[C@H]([NH+](C)CC(=O)NCc2ccc(Cl)cc2)CC[N@@H+]1C ZINC000123555555 402134282 /nfs/dbraw/zinc/13/42/82/402134282.db2.gz LDNNSXMHDJKRBZ-XJKSGUPXSA-N 2 2 323.868 2.371 10 0 DEAELP C[C@H]1C[C@H]([NH+](C)CC(=O)NCc2ccc(Cl)cc2)CC[N@H+]1C ZINC000123555555 402134286 /nfs/dbraw/zinc/13/42/86/402134286.db2.gz LDNNSXMHDJKRBZ-XJKSGUPXSA-N 2 2 323.868 2.371 10 0 DEAELP C[C@H]1C[C@H]([N@H+](C)CC(=O)NCc2ccc(Cl)cc2)CC[NH+]1C ZINC000123555555 402134289 /nfs/dbraw/zinc/13/42/89/402134289.db2.gz LDNNSXMHDJKRBZ-XJKSGUPXSA-N 2 2 323.868 2.371 10 0 DEAELP C[C@H]1C[C@H]([N@@H+](C)CC(=O)NCc2ccc(Cl)cc2)CC[NH+]1C ZINC000123555555 402134292 /nfs/dbraw/zinc/13/42/92/402134292.db2.gz LDNNSXMHDJKRBZ-XJKSGUPXSA-N 2 2 323.868 2.371 10 0 DEAELP Cc1ccccc1CNC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123591979 402137285 /nfs/dbraw/zinc/13/72/85/402137285.db2.gz USOFYONACBRODL-NVXWUHKLSA-N 2 2 303.450 2.026 10 0 DEAELP Cc1ccccc1CNC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123591979 402137287 /nfs/dbraw/zinc/13/72/87/402137287.db2.gz USOFYONACBRODL-NVXWUHKLSA-N 2 2 303.450 2.026 10 0 DEAELP Cc1ccccc1CNC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123591979 402137289 /nfs/dbraw/zinc/13/72/89/402137289.db2.gz USOFYONACBRODL-NVXWUHKLSA-N 2 2 303.450 2.026 10 0 DEAELP Cc1ccccc1CNC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123591979 402137290 /nfs/dbraw/zinc/13/72/90/402137290.db2.gz USOFYONACBRODL-NVXWUHKLSA-N 2 2 303.450 2.026 10 0 DEAELP COc1cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)cc(OC)c1OC ZINC000154560025 402218329 /nfs/dbraw/zinc/21/83/29/402218329.db2.gz ICHYZJOQUMLDGK-OCCSQVGLSA-N 2 2 308.422 2.457 10 0 DEAELP COc1cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)cc(OC)c1OC ZINC000154560025 402218331 /nfs/dbraw/zinc/21/83/31/402218331.db2.gz ICHYZJOQUMLDGK-OCCSQVGLSA-N 2 2 308.422 2.457 10 0 DEAELP CCc1ccc(C[NH+]2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)s1 ZINC000154570817 402218791 /nfs/dbraw/zinc/21/87/91/402218791.db2.gz GDXREJNNJVXARB-MRXNPFEDSA-N 2 2 323.506 2.295 10 0 DEAELP C[NH+]1CCC(CNC(=O)[C@H]2CC2(C)C)([NH+]2CCCCC2)CC1 ZINC000125502057 402235938 /nfs/dbraw/zinc/23/59/38/402235938.db2.gz WOGIXGHPWLEIAH-OAHLLOKOSA-N 2 2 307.482 2.099 10 0 DEAELP Cc1ccc(OC[C@@H](O)C[NH+]2CCC([NH2+]C(C)C)CC2)cc1 ZINC000108370771 402252498 /nfs/dbraw/zinc/25/24/98/402252498.db2.gz XIGUPSFSMKYLMA-KRWDZBQOSA-N 2 2 306.450 2.197 10 0 DEAELP CCOCC[N@@H+]1CCN(Cc2cn3cc(C)ccc3[nH+]2)C[C@@H]1C ZINC000176917163 402349555 /nfs/dbraw/zinc/34/95/55/402349555.db2.gz JEPUPAMFCAKMAZ-INIZCTEOSA-N 2 2 316.449 2.185 10 0 DEAELP CCOCC[N@H+]1CCN(Cc2cn3cc(C)ccc3[nH+]2)C[C@@H]1C ZINC000176917163 402349559 /nfs/dbraw/zinc/34/95/59/402349559.db2.gz JEPUPAMFCAKMAZ-INIZCTEOSA-N 2 2 316.449 2.185 10 0 DEAELP CC(C)[C@H]1C[C@@H]1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000185535902 402359581 /nfs/dbraw/zinc/35/95/81/402359581.db2.gz ZRTGONQZFUVGKD-SJORKVTESA-N 2 2 321.509 2.345 10 0 DEAELP C[NH+]1CCN([C@H]2CCCC[N@H+](Cc3ccnc(Cl)c3)C2)CC1 ZINC000177368480 402395064 /nfs/dbraw/zinc/39/50/64/402395064.db2.gz DRINYHHXDULSOI-INIZCTEOSA-N 2 2 322.884 2.337 10 0 DEAELP C[NH+]1CCN([C@H]2CCCC[N@@H+](Cc3ccnc(Cl)c3)C2)CC1 ZINC000177368480 402395067 /nfs/dbraw/zinc/39/50/67/402395067.db2.gz DRINYHHXDULSOI-INIZCTEOSA-N 2 2 322.884 2.337 10 0 DEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)NCc1cccs1 ZINC000178308973 402483585 /nfs/dbraw/zinc/48/35/85/402483585.db2.gz PJHAPSWRKQNSAL-AWEZNQCLSA-N 2 2 318.446 2.034 10 0 DEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)NCc1cccs1 ZINC000178308973 402483587 /nfs/dbraw/zinc/48/35/87/402483587.db2.gz PJHAPSWRKQNSAL-AWEZNQCLSA-N 2 2 318.446 2.034 10 0 DEAELP COc1ccc([C@H](C)[NH2+]CC[NH+]2CCCC2)cc1NC(C)=O ZINC000178310618 402483645 /nfs/dbraw/zinc/48/36/45/402483645.db2.gz VPISQOXREQVZEE-ZDUSSCGKSA-N 2 2 305.422 2.400 10 0 DEAELP CC[C@H](C)NC(=O)C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189893286 402564905 /nfs/dbraw/zinc/56/49/05/402564905.db2.gz BYLQKASTBASOEK-UONOGXRCSA-N 2 2 300.406 2.438 10 0 DEAELP C[C@@H]([NH2+]C[C@H](C)CS(C)(=O)=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000189914530 402566910 /nfs/dbraw/zinc/56/69/10/402566910.db2.gz PYGWVYFCSWMAGP-UONOGXRCSA-N 2 2 321.446 2.204 10 0 DEAELP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)Nc3cc(F)cc(F)c3)CC[C@@H]21 ZINC000178627569 402519149 /nfs/dbraw/zinc/51/91/49/402519149.db2.gz HQDQXQKIWGJZEP-LRDDRELGSA-N 2 2 323.387 2.319 10 0 DEAELP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)Nc3cc(F)cc(F)c3)CC[C@@H]21 ZINC000178627569 402519151 /nfs/dbraw/zinc/51/91/51/402519151.db2.gz HQDQXQKIWGJZEP-LRDDRELGSA-N 2 2 323.387 2.319 10 0 DEAELP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)Nc3cc(F)cc(F)c3)CC[C@@H]21 ZINC000178627569 402519155 /nfs/dbraw/zinc/51/91/55/402519155.db2.gz HQDQXQKIWGJZEP-LRDDRELGSA-N 2 2 323.387 2.319 10 0 DEAELP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)Nc3cc(F)cc(F)c3)CC[C@@H]21 ZINC000178627569 402519157 /nfs/dbraw/zinc/51/91/57/402519157.db2.gz HQDQXQKIWGJZEP-LRDDRELGSA-N 2 2 323.387 2.319 10 0 DEAELP CC(C)[C@@H](C)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000179227799 402582236 /nfs/dbraw/zinc/58/22/36/402582236.db2.gz GUKPLYCLYQDBNC-VPSFDDGASA-N 2 2 307.482 2.048 10 0 DEAELP CC(C)[C@@H](C)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000179227799 402582238 /nfs/dbraw/zinc/58/22/38/402582238.db2.gz GUKPLYCLYQDBNC-VPSFDDGASA-N 2 2 307.482 2.048 10 0 DEAELP c1[nH+]c([C@@H]2CCC[N@@H+](C[C@H]3CCC[NH2+]C3)C2)n2c1CCCC2 ZINC000261814019 402717761 /nfs/dbraw/zinc/71/77/61/402717761.db2.gz PZKSCXJVZZNGEA-JKSUJKDBSA-N 3 2 302.466 2.398 10 0 DEAELP c1[nH+]c([C@@H]2CCC[N@H+](C[C@H]3CCC[NH2+]C3)C2)n2c1CCCC2 ZINC000261814019 402717763 /nfs/dbraw/zinc/71/77/63/402717763.db2.gz PZKSCXJVZZNGEA-JKSUJKDBSA-N 3 2 302.466 2.398 10 0 DEAELP CCC(C)(C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000172750611 402673654 /nfs/dbraw/zinc/67/36/54/402673654.db2.gz ACZZGUWUURXOOR-UHFFFAOYSA-N 2 2 309.498 2.489 10 0 DEAELP CCc1nc(C[N@@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)cs1 ZINC000174903094 402762144 /nfs/dbraw/zinc/76/21/44/402762144.db2.gz BJBTUEMKMJRQTF-MRXNPFEDSA-N 2 2 322.522 2.307 10 0 DEAELP CCc1nc(C[N@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)cs1 ZINC000174903094 402762148 /nfs/dbraw/zinc/76/21/48/402762148.db2.gz BJBTUEMKMJRQTF-MRXNPFEDSA-N 2 2 322.522 2.307 10 0 DEAELP C[C@@H]1CC[C@H](C)C[N@H+]1CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000174013803 402723459 /nfs/dbraw/zinc/72/34/59/402723459.db2.gz UQSFVIZOCHBGCN-JKSUJKDBSA-N 2 2 319.449 2.044 10 0 DEAELP C[C@@H]1CC[C@H](C)C[N@@H+]1CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000174013803 402723460 /nfs/dbraw/zinc/72/34/60/402723460.db2.gz UQSFVIZOCHBGCN-JKSUJKDBSA-N 2 2 319.449 2.044 10 0 DEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000175477752 402810123 /nfs/dbraw/zinc/81/01/23/402810123.db2.gz KTJSRKMMRZWZNK-LSDHHAIUSA-N 2 2 321.469 2.163 10 0 DEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000175477752 402810124 /nfs/dbraw/zinc/81/01/24/402810124.db2.gz KTJSRKMMRZWZNK-LSDHHAIUSA-N 2 2 321.469 2.163 10 0 DEAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccccc2F)[C@H](C)C1 ZINC000175728906 402827372 /nfs/dbraw/zinc/82/73/72/402827372.db2.gz ZQOZBGKVZCJNPJ-CZUORRHYSA-N 2 2 307.413 2.426 10 0 DEAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccccc2F)[C@H](C)C1 ZINC000175728906 402827373 /nfs/dbraw/zinc/82/73/73/402827373.db2.gz ZQOZBGKVZCJNPJ-CZUORRHYSA-N 2 2 307.413 2.426 10 0 DEAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccccc2F)[C@H](C)C1 ZINC000175728906 402827375 /nfs/dbraw/zinc/82/73/75/402827375.db2.gz ZQOZBGKVZCJNPJ-CZUORRHYSA-N 2 2 307.413 2.426 10 0 DEAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccccc2F)[C@H](C)C1 ZINC000175728906 402827376 /nfs/dbraw/zinc/82/73/76/402827376.db2.gz ZQOZBGKVZCJNPJ-CZUORRHYSA-N 2 2 307.413 2.426 10 0 DEAELP Cn1c(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)nnc1C1CC1 ZINC000195516043 402849325 /nfs/dbraw/zinc/84/93/25/402849325.db2.gz RXLDWDMKKZPJAF-CYBMUJFWSA-N 2 2 312.421 2.022 10 0 DEAELP Cn1c(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)nnc1C1CC1 ZINC000195516043 402849327 /nfs/dbraw/zinc/84/93/27/402849327.db2.gz RXLDWDMKKZPJAF-CYBMUJFWSA-N 2 2 312.421 2.022 10 0 DEAELP COc1cccc2c1[nH+]cc(C)c2N1CCO[C@@H](C[NH+](C)C)C1 ZINC000276212472 403153993 /nfs/dbraw/zinc/15/39/93/403153993.db2.gz KGVGVWBJEDDKRX-AWEZNQCLSA-N 2 2 315.417 2.319 10 0 DEAELP [NH3+][C@@H]1CCC[C@H]2CN(c3cc(N4CCCCC4)[nH+]cn3)C[C@@H]21 ZINC000333135448 403674161 /nfs/dbraw/zinc/67/41/61/403674161.db2.gz BMWYOTUVZDCIJL-SOUVJXGZSA-N 2 2 301.438 2.031 10 0 DEAELP [NH3+][C@@H]1CCC[C@H]2CN(c3cc(N4CCCCC4)nc[nH+]3)C[C@@H]21 ZINC000333135448 403674166 /nfs/dbraw/zinc/67/41/66/403674166.db2.gz BMWYOTUVZDCIJL-SOUVJXGZSA-N 2 2 301.438 2.031 10 0 DEAELP Clc1ccc2c(NC[C@H]3C[NH+]4CCN3CC4)cc[nH+]c2c1 ZINC000301789172 403679859 /nfs/dbraw/zinc/67/98/59/403679859.db2.gz QPAQRINYAOCEOI-ZDUSSCGKSA-N 2 2 302.809 2.300 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@@H](C1CC1)[NH+](C)C)C2 ZINC000530422197 405799803 /nfs/dbraw/zinc/79/98/03/405799803.db2.gz RRSDEGRNKUVTGI-CJNGLKHVSA-N 2 2 318.465 2.094 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@@H](C1CC1)[NH+](C)C)CC2 ZINC000530422197 405799808 /nfs/dbraw/zinc/79/98/08/405799808.db2.gz RRSDEGRNKUVTGI-CJNGLKHVSA-N 2 2 318.465 2.094 10 0 DEAELP CCn1nncc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000459416345 405895005 /nfs/dbraw/zinc/89/50/05/405895005.db2.gz XGURSVTVEQOMIF-QAPCUYQASA-N 2 2 313.449 2.298 10 0 DEAELP CCn1nncc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000459416345 405895011 /nfs/dbraw/zinc/89/50/11/405895011.db2.gz XGURSVTVEQOMIF-QAPCUYQASA-N 2 2 313.449 2.298 10 0 DEAELP Cc1nc(N2CC[NH+](CC3Cc4ccccc4C3)CC2)cc[nH+]1 ZINC000584208688 405846653 /nfs/dbraw/zinc/84/66/53/405846653.db2.gz FTOWKVFQLHJFAS-UHFFFAOYSA-N 2 2 308.429 2.322 10 0 DEAELP c1cc(OCC[NH+]2CCOCC2)ccc1C[NH+]1CC(C2CC2)C1 ZINC000639194981 405962411 /nfs/dbraw/zinc/96/24/11/405962411.db2.gz AQWDGJXDQQJTRH-UHFFFAOYSA-N 2 2 316.445 2.239 10 0 DEAELP CC(=O)N1CCC[C@H](C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000527240136 406602162 /nfs/dbraw/zinc/60/21/62/406602162.db2.gz VPCDJCCIOANBJF-CQSZACIVSA-N 2 2 318.446 2.282 10 0 DEAELP c1ccc(C[NH+]2CCC([NH2+]CC[C@H]3CCCOC3)CC2)nc1 ZINC000527736405 406732553 /nfs/dbraw/zinc/73/25/53/406732553.db2.gz FRMCYAXRHOHSRC-MRXNPFEDSA-N 2 2 303.450 2.452 10 0 DEAELP COC[C@H](C)[C@@H](C[NH3+])[N@H+](C)Cc1ccc(Br)cc1 ZINC000131957080 196213635 /nfs/dbraw/zinc/21/36/35/196213635.db2.gz PGNNVULTHCOPIU-SMDDNHRTSA-N 2 2 315.255 2.491 10 0 DEAELP COC[C@H](C)[C@@H](C[NH3+])[N@@H+](C)Cc1ccc(Br)cc1 ZINC000131957080 196213637 /nfs/dbraw/zinc/21/36/37/196213637.db2.gz PGNNVULTHCOPIU-SMDDNHRTSA-N 2 2 315.255 2.491 10 0 DEAELP c1ccc(-c2noc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)n2)nc1 ZINC000391115441 424918693 /nfs/dbraw/zinc/91/86/93/424918693.db2.gz GZVMVTXWWFARDE-KGLIPLIRSA-N 2 2 313.405 2.096 10 0 DEAELP c1ccc(-c2noc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)n2)nc1 ZINC000391115441 424918695 /nfs/dbraw/zinc/91/86/95/424918695.db2.gz GZVMVTXWWFARDE-KGLIPLIRSA-N 2 2 313.405 2.096 10 0 DEAELP C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)[C@@H]1c1ccccc1 ZINC000180107587 277168150 /nfs/dbraw/zinc/16/81/50/277168150.db2.gz AUVAELWREBMFRB-RYRKJORJSA-N 2 2 324.428 2.007 10 0 DEAELP C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)[C@@H]1c1ccccc1 ZINC000180107587 277168152 /nfs/dbraw/zinc/16/81/52/277168152.db2.gz AUVAELWREBMFRB-RYRKJORJSA-N 2 2 324.428 2.007 10 0 DEAELP CCN(C(=O)C[N@@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1)C1CC1 ZINC000299751613 528957017 /nfs/dbraw/zinc/95/70/17/528957017.db2.gz QZYZYHSJEPHVCJ-HNNXBMFYSA-N 2 2 316.449 2.020 10 0 DEAELP CCN(C(=O)C[N@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1)C1CC1 ZINC000299751613 528957022 /nfs/dbraw/zinc/95/70/22/528957022.db2.gz QZYZYHSJEPHVCJ-HNNXBMFYSA-N 2 2 316.449 2.020 10 0 DEAELP CC1CCC(N(C)C(=O)C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC000246725404 535261238 /nfs/dbraw/zinc/26/12/38/535261238.db2.gz LVJYVICMIBYIGA-XGHPGWEVSA-N 2 2 309.498 2.438 10 0 DEAELP CC1CCC(N(C)C(=O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC000246725404 535261244 /nfs/dbraw/zinc/26/12/44/535261244.db2.gz LVJYVICMIBYIGA-XGHPGWEVSA-N 2 2 309.498 2.438 10 0 DEAELP CC1CCC(N(C)C(=O)C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000246725404 535261248 /nfs/dbraw/zinc/26/12/48/535261248.db2.gz LVJYVICMIBYIGA-XGHPGWEVSA-N 2 2 309.498 2.438 10 0 DEAELP CC1CCC(N(C)C(=O)C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000246725404 535261251 /nfs/dbraw/zinc/26/12/51/535261251.db2.gz LVJYVICMIBYIGA-XGHPGWEVSA-N 2 2 309.498 2.438 10 0 DEAELP COc1ccc(Br)c(Cn2cc[nH+]c2CC[NH3+])c1 ZINC000087796892 185232050 /nfs/dbraw/zinc/23/20/50/185232050.db2.gz WCNHHSQBYTURMF-UHFFFAOYSA-N 2 2 310.195 2.204 10 0 DEAELP [NH3+]C[C@]1(Nc2ccccc2Br)CC[N@@H+](C2CC2)C1 ZINC000087914398 185237215 /nfs/dbraw/zinc/23/72/15/185237215.db2.gz NYTFPXZJCFQNDB-CQSZACIVSA-N 2 2 310.239 2.427 10 0 DEAELP [NH3+]C[C@]1(Nc2ccccc2Br)CC[N@H+](C2CC2)C1 ZINC000087914398 185237216 /nfs/dbraw/zinc/23/72/16/185237216.db2.gz NYTFPXZJCFQNDB-CQSZACIVSA-N 2 2 310.239 2.427 10 0 DEAELP COCCC[C@H]([NH3+])C[NH2+]Cc1ccc(Br)s1 ZINC000088006022 185237931 /nfs/dbraw/zinc/23/79/31/185237931.db2.gz JOLFNWGDUYHUGY-VIFPVBQESA-N 2 2 307.257 2.354 10 0 DEAELP CCC[NH2+][C@@](CO)(C[NH+]1CCC(C(F)(F)F)CC1)C1CC1 ZINC000088439751 185250709 /nfs/dbraw/zinc/25/07/09/185250709.db2.gz WCIZMAYWZJZGBU-CQSZACIVSA-N 2 2 308.388 2.401 10 0 DEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@H]2CCCC[C@H]2C)[C@@H](C)C1 ZINC000245414251 282385370 /nfs/dbraw/zinc/38/53/70/282385370.db2.gz CCVCVURDHCBAGA-TWMKSMIVSA-N 2 2 309.498 2.343 10 0 DEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@H]2CCCC[C@H]2C)[C@@H](C)C1 ZINC000245414251 282385373 /nfs/dbraw/zinc/38/53/73/282385373.db2.gz CCVCVURDHCBAGA-TWMKSMIVSA-N 2 2 309.498 2.343 10 0 DEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@@H]2CCCC[C@H]2C)[C@@H](C)C1 ZINC000245414251 282385375 /nfs/dbraw/zinc/38/53/75/282385375.db2.gz CCVCVURDHCBAGA-TWMKSMIVSA-N 2 2 309.498 2.343 10 0 DEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@@H]2CCCC[C@H]2C)[C@@H](C)C1 ZINC000245414251 282385378 /nfs/dbraw/zinc/38/53/78/282385378.db2.gz CCVCVURDHCBAGA-TWMKSMIVSA-N 2 2 309.498 2.343 10 0 DEAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NCc2ccc(F)cc2)[C@@H](C)C1 ZINC000245416100 282386055 /nfs/dbraw/zinc/38/60/55/282386055.db2.gz DXKSLLPEGUZQFI-WMLDXEAASA-N 2 2 321.440 2.104 10 0 DEAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NCc2ccc(F)cc2)[C@@H](C)C1 ZINC000245416100 282386061 /nfs/dbraw/zinc/38/60/61/282386061.db2.gz DXKSLLPEGUZQFI-WMLDXEAASA-N 2 2 321.440 2.104 10 0 DEAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NCc2ccc(F)cc2)[C@@H](C)C1 ZINC000245416100 282386064 /nfs/dbraw/zinc/38/60/64/282386064.db2.gz DXKSLLPEGUZQFI-WMLDXEAASA-N 2 2 321.440 2.104 10 0 DEAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NCc2ccc(F)cc2)[C@@H](C)C1 ZINC000245416100 282386069 /nfs/dbraw/zinc/38/60/69/282386069.db2.gz DXKSLLPEGUZQFI-WMLDXEAASA-N 2 2 321.440 2.104 10 0 DEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N(CC(C)C)C2CC2)[C@@H](C)C1 ZINC000245440748 282388973 /nfs/dbraw/zinc/38/89/73/282388973.db2.gz UVWQXNWOWKRIPP-RDJZCZTQSA-N 2 2 309.498 2.296 10 0 DEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N(CC(C)C)C2CC2)[C@@H](C)C1 ZINC000245440748 282388974 /nfs/dbraw/zinc/38/89/74/282388974.db2.gz UVWQXNWOWKRIPP-RDJZCZTQSA-N 2 2 309.498 2.296 10 0 DEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N(CC(C)C)C2CC2)[C@@H](C)C1 ZINC000245440748 282388975 /nfs/dbraw/zinc/38/89/75/282388975.db2.gz UVWQXNWOWKRIPP-RDJZCZTQSA-N 2 2 309.498 2.296 10 0 DEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N(CC(C)C)C2CC2)[C@@H](C)C1 ZINC000245440748 282388976 /nfs/dbraw/zinc/38/89/76/282388976.db2.gz UVWQXNWOWKRIPP-RDJZCZTQSA-N 2 2 309.498 2.296 10 0 DEAELP C[N@H+](Cc1cncnc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000122348125 539461190 /nfs/dbraw/zinc/46/11/90/539461190.db2.gz QJZIPLBNOHQFEF-UHFFFAOYSA-N 2 2 311.433 2.011 10 0 DEAELP C[N@@H+](Cc1cncnc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000122348125 539461195 /nfs/dbraw/zinc/46/11/95/539461195.db2.gz QJZIPLBNOHQFEF-UHFFFAOYSA-N 2 2 311.433 2.011 10 0 DEAELP COc1ccccc1NC(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000139902867 186024864 /nfs/dbraw/zinc/02/48/64/186024864.db2.gz QSHZOPVTIBEMAP-ZBFHGGJFSA-N 2 2 317.433 2.050 10 0 DEAELP COc1ccccc1NC(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000139902867 186024866 /nfs/dbraw/zinc/02/48/66/186024866.db2.gz QSHZOPVTIBEMAP-ZBFHGGJFSA-N 2 2 317.433 2.050 10 0 DEAELP COc1ccccc1NC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000139902867 186024867 /nfs/dbraw/zinc/02/48/67/186024867.db2.gz QSHZOPVTIBEMAP-ZBFHGGJFSA-N 2 2 317.433 2.050 10 0 DEAELP COc1ccccc1NC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000139902867 186024869 /nfs/dbraw/zinc/02/48/69/186024869.db2.gz QSHZOPVTIBEMAP-ZBFHGGJFSA-N 2 2 317.433 2.050 10 0 DEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N(C)Cc2ccccc2)[C@H](C)C1 ZINC000174776686 198383293 /nfs/dbraw/zinc/38/32/93/198383293.db2.gz VCWKNBLHNLHKDJ-AEFFLSMTSA-N 2 2 317.477 2.307 10 0 DEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N(C)Cc2ccccc2)[C@H](C)C1 ZINC000174776686 198383294 /nfs/dbraw/zinc/38/32/94/198383294.db2.gz VCWKNBLHNLHKDJ-AEFFLSMTSA-N 2 2 317.477 2.307 10 0 DEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N(C)Cc2ccccc2)[C@H](C)C1 ZINC000174776686 198383295 /nfs/dbraw/zinc/38/32/95/198383295.db2.gz VCWKNBLHNLHKDJ-AEFFLSMTSA-N 2 2 317.477 2.307 10 0 DEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N(C)Cc2ccccc2)[C@H](C)C1 ZINC000174776686 198383296 /nfs/dbraw/zinc/38/32/96/198383296.db2.gz VCWKNBLHNLHKDJ-AEFFLSMTSA-N 2 2 317.477 2.307 10 0 DEAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2cccc(OC)c2)[C@H](C)C1 ZINC000174775341 198383518 /nfs/dbraw/zinc/38/35/18/198383518.db2.gz AVDKHRUMLQZBEC-RHSMWYFYSA-N 2 2 319.449 2.296 10 0 DEAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2cccc(OC)c2)[C@H](C)C1 ZINC000174775341 198383520 /nfs/dbraw/zinc/38/35/20/198383520.db2.gz AVDKHRUMLQZBEC-RHSMWYFYSA-N 2 2 319.449 2.296 10 0 DEAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2cccc(OC)c2)[C@H](C)C1 ZINC000174775341 198383522 /nfs/dbraw/zinc/38/35/22/198383522.db2.gz AVDKHRUMLQZBEC-RHSMWYFYSA-N 2 2 319.449 2.296 10 0 DEAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2cccc(OC)c2)[C@H](C)C1 ZINC000174775341 198383523 /nfs/dbraw/zinc/38/35/23/198383523.db2.gz AVDKHRUMLQZBEC-RHSMWYFYSA-N 2 2 319.449 2.296 10 0 DEAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N(C)Cc2ccccc2)[C@H](C)C1 ZINC000174776701 198383528 /nfs/dbraw/zinc/38/35/28/198383528.db2.gz VCWKNBLHNLHKDJ-SJLPKXTDSA-N 2 2 317.477 2.307 10 0 DEAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N(C)Cc2ccccc2)[C@H](C)C1 ZINC000174776701 198383530 /nfs/dbraw/zinc/38/35/30/198383530.db2.gz VCWKNBLHNLHKDJ-SJLPKXTDSA-N 2 2 317.477 2.307 10 0 DEAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N(C)Cc2ccccc2)[C@H](C)C1 ZINC000174776701 198383531 /nfs/dbraw/zinc/38/35/31/198383531.db2.gz VCWKNBLHNLHKDJ-SJLPKXTDSA-N 2 2 317.477 2.307 10 0 DEAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N(C)Cc2ccccc2)[C@H](C)C1 ZINC000174776701 198383533 /nfs/dbraw/zinc/38/35/33/198383533.db2.gz VCWKNBLHNLHKDJ-SJLPKXTDSA-N 2 2 317.477 2.307 10 0 DEAELP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000400808097 283159094 /nfs/dbraw/zinc/15/90/94/283159094.db2.gz WZXRKPQNJFPJFP-ILXRZTDVSA-N 2 2 311.470 2.458 10 0 DEAELP CC[N@H+]1CC[C@H]([NH2+][C@H](C)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000400808097 283159096 /nfs/dbraw/zinc/15/90/96/283159096.db2.gz WZXRKPQNJFPJFP-ILXRZTDVSA-N 2 2 311.470 2.458 10 0 DEAELP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400355774 283156037 /nfs/dbraw/zinc/15/60/37/283156037.db2.gz BCUFFYUZOLQBMU-RRFJBIMHSA-N 2 2 311.470 2.316 10 0 DEAELP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400355774 283156043 /nfs/dbraw/zinc/15/60/43/283156043.db2.gz BCUFFYUZOLQBMU-RRFJBIMHSA-N 2 2 311.470 2.316 10 0 DEAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)c2nccs2)nc[nH+]1 ZINC000180570511 199177879 /nfs/dbraw/zinc/17/78/79/199177879.db2.gz MNXQSOBHOCVILK-NEPJUHHUSA-N 2 2 318.450 2.294 10 0 DEAELP C[C@H](NC(=O)CCc1c[nH+]cn1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189155037 200357515 /nfs/dbraw/zinc/35/75/15/200357515.db2.gz JLHFCMALKYSLDN-AWEZNQCLSA-N 2 2 323.400 2.416 10 0 DEAELP C[NH2+][C@H](CCCS(C)(=O)=O)C(C)(C)[NH+]1CCCCCC1 ZINC000091568302 193074794 /nfs/dbraw/zinc/07/47/94/193074794.db2.gz WLDYVFJKRPWXAC-CQSZACIVSA-N 2 2 304.500 2.054 10 0 DEAELP C[N@@H+]1CCO[C@@H](COc2c(Cl)cc(Cl)cc2CC[NH3+])C1 ZINC000092060604 193149831 /nfs/dbraw/zinc/14/98/31/193149831.db2.gz JWNUAGGNSODCBB-GFCCVEGCSA-N 2 2 319.232 2.204 10 0 DEAELP C[N@H+]1CCO[C@@H](COc2c(Cl)cc(Cl)cc2CC[NH3+])C1 ZINC000092060604 193149833 /nfs/dbraw/zinc/14/98/33/193149833.db2.gz JWNUAGGNSODCBB-GFCCVEGCSA-N 2 2 319.232 2.204 10 0 DEAELP Cc1cc(C)n2c(C[N@H+](C)C[C@H]3CCC[NH+](C)C3)cnc2n1 ZINC000092253645 193180607 /nfs/dbraw/zinc/18/06/07/193180607.db2.gz BSSWVLYMFIPRRS-HNNXBMFYSA-N 2 2 301.438 2.120 10 0 DEAELP Cc1cc(C)n2c(C[N@@H+](C)C[C@H]3CCC[NH+](C)C3)cnc2n1 ZINC000092253645 193180608 /nfs/dbraw/zinc/18/06/08/193180608.db2.gz BSSWVLYMFIPRRS-HNNXBMFYSA-N 2 2 301.438 2.120 10 0 DEAELP Cc1cc(C)n2c(C[NH+](C)C[C@H]3CCC[N@H+](C)C3)cnc2n1 ZINC000092253645 193180610 /nfs/dbraw/zinc/18/06/10/193180610.db2.gz BSSWVLYMFIPRRS-HNNXBMFYSA-N 2 2 301.438 2.120 10 0 DEAELP Cc1cc(C)n2c(C[NH+](C)C[C@H]3CCC[N@@H+](C)C3)cnc2n1 ZINC000092253645 193180612 /nfs/dbraw/zinc/18/06/12/193180612.db2.gz BSSWVLYMFIPRRS-HNNXBMFYSA-N 2 2 301.438 2.120 10 0 DEAELP CCN(Cc1ccccc1)C(=O)C[N@@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000631831878 368409652 /nfs/dbraw/zinc/40/96/52/368409652.db2.gz RQRWBDCZAWUGGU-QGZVFWFLSA-N 2 2 303.450 2.238 10 0 DEAELP CCN(Cc1ccccc1)C(=O)C[N@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000631831878 368409657 /nfs/dbraw/zinc/40/96/57/368409657.db2.gz RQRWBDCZAWUGGU-QGZVFWFLSA-N 2 2 303.450 2.238 10 0 DEAELP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cnc3nc(C)cc(C)n23)C1 ZINC000093770329 193302593 /nfs/dbraw/zinc/30/25/93/193302593.db2.gz ASNNWBPEVWKWJA-HNNXBMFYSA-N 2 2 301.438 2.120 10 0 DEAELP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cnc3nc(C)cc(C)n23)C1 ZINC000093770329 193302596 /nfs/dbraw/zinc/30/25/96/193302596.db2.gz ASNNWBPEVWKWJA-HNNXBMFYSA-N 2 2 301.438 2.120 10 0 DEAELP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cnc3nc(C)cc(C)n23)C1 ZINC000093770329 193302597 /nfs/dbraw/zinc/30/25/97/193302597.db2.gz ASNNWBPEVWKWJA-HNNXBMFYSA-N 2 2 301.438 2.120 10 0 DEAELP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cnc3nc(C)cc(C)n23)C1 ZINC000093770329 193302599 /nfs/dbraw/zinc/30/25/99/193302599.db2.gz ASNNWBPEVWKWJA-HNNXBMFYSA-N 2 2 301.438 2.120 10 0 DEAELP C[NH2+][C@H](Cc1cc(Cl)ccc1Cl)[C@@H]1C[N@H+](C)CCN1C ZINC000093894556 193324553 /nfs/dbraw/zinc/32/45/53/193324553.db2.gz RSHWNBYEFZRBDZ-CABCVRRESA-N 2 2 316.276 2.370 10 0 DEAELP C[NH2+][C@H](Cc1cc(Cl)ccc1Cl)[C@@H]1C[N@@H+](C)CCN1C ZINC000093894556 193324554 /nfs/dbraw/zinc/32/45/54/193324554.db2.gz RSHWNBYEFZRBDZ-CABCVRRESA-N 2 2 316.276 2.370 10 0 DEAELP C[NH2+][C@@H]1CC(C)(C)Cc2nc([C@H]3C[N@H+](C)CCN3C)sc21 ZINC000093896235 193325509 /nfs/dbraw/zinc/32/55/09/193325509.db2.gz HHWXGFIHIZMPHD-DGCLKSJQSA-N 2 2 308.495 2.294 10 0 DEAELP C[NH2+][C@@H]1CC(C)(C)Cc2nc([C@H]3C[N@@H+](C)CCN3C)sc21 ZINC000093896235 193325510 /nfs/dbraw/zinc/32/55/10/193325510.db2.gz HHWXGFIHIZMPHD-DGCLKSJQSA-N 2 2 308.495 2.294 10 0 DEAELP C[C@@H]1SCCC[C@]1(C[NH3+])[NH+]1CCN(c2ccccc2)CC1 ZINC000094478703 193372663 /nfs/dbraw/zinc/37/26/63/193372663.db2.gz UBXRGRXQYZZDBZ-DOTOQJQBSA-N 2 2 305.491 2.422 10 0 DEAELP C[NH2+][C@H](Cc1cc(Cl)ccc1Cl)[C@@H]1C[NH+]2CCN1CC2 ZINC000094509178 193375187 /nfs/dbraw/zinc/37/51/87/193375187.db2.gz CQXMTVLGRBLTPW-CABCVRRESA-N 2 2 314.260 2.124 10 0 DEAELP CCC[NH2+][C@@H]1CCCc2sc([C@@H]3C[NH+]4CCN3CC4)nc21 ZINC000094511096 193375756 /nfs/dbraw/zinc/37/57/56/193375756.db2.gz CJNANCRKOWUXQC-OLZOCXBDSA-N 2 2 306.479 2.192 10 0 DEAELP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cnc(CC)o2)[C@H](C)C1 ZINC000453391950 245115692 /nfs/dbraw/zinc/11/56/92/245115692.db2.gz QYDDYPNIDKSBEP-GDBMZVCRSA-N 2 2 309.454 2.464 10 0 DEAELP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cnc(CC)o2)[C@H](C)C1 ZINC000453391950 245115697 /nfs/dbraw/zinc/11/56/97/245115697.db2.gz QYDDYPNIDKSBEP-GDBMZVCRSA-N 2 2 309.454 2.464 10 0 DEAELP Cc1ccc(COc2cccc(C[NH2+]CC[NH2+]CCO)c2)cc1 ZINC000020874510 182251647 /nfs/dbraw/zinc/25/16/47/182251647.db2.gz NYBWAKVTFFPZNP-UHFFFAOYSA-N 2 2 314.429 2.246 10 0 DEAELP C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH2+]CC1)c1cccs1 ZINC000038043147 182978786 /nfs/dbraw/zinc/97/87/86/182978786.db2.gz LXTNIBJESDZUJV-GXTWGEPZSA-N 2 2 307.463 2.142 10 0 DEAELP C[C@H](NC(=O)[C@H]1CCC[N@H+]1C1CC[NH2+]CC1)c1cccs1 ZINC000038043147 182978788 /nfs/dbraw/zinc/97/87/88/182978788.db2.gz LXTNIBJESDZUJV-GXTWGEPZSA-N 2 2 307.463 2.142 10 0 DEAELP C[N@H+](Cc1cc(Br)cs1)[C@H](C[NH3+])[C@@H]1CCOC1 ZINC000042398501 183264230 /nfs/dbraw/zinc/26/42/30/183264230.db2.gz NPOOMGCFUIFYIE-BXKDBHETSA-N 2 2 319.268 2.306 10 0 DEAELP C[N@@H+](Cc1cc(Br)cs1)[C@H](C[NH3+])[C@@H]1CCOC1 ZINC000042398501 183264231 /nfs/dbraw/zinc/26/42/31/183264231.db2.gz NPOOMGCFUIFYIE-BXKDBHETSA-N 2 2 319.268 2.306 10 0 DEAELP Cc1cc(C)c(C(N)=S)c(N(CC[NH+](C)C)CC(C)C)[nH+]1 ZINC000042781015 183308287 /nfs/dbraw/zinc/30/82/87/183308287.db2.gz PZOYMENBELCBLP-UHFFFAOYSA-N 2 2 308.495 2.357 10 0 DEAELP C[C@@H]1C[N@@H+](C2CC[NH+](CCCCCn3cccn3)CC2)CCO1 ZINC000104947551 194057047 /nfs/dbraw/zinc/05/70/47/194057047.db2.gz XRMJNDVUORWKFB-QGZVFWFLSA-N 2 2 320.481 2.239 10 0 DEAELP C[C@@H]1C[N@H+](C2CC[NH+](CCCCCn3cccn3)CC2)CCO1 ZINC000104947551 194057050 /nfs/dbraw/zinc/05/70/50/194057050.db2.gz XRMJNDVUORWKFB-QGZVFWFLSA-N 2 2 320.481 2.239 10 0 DEAELP C[N@@H+](Cc1cc(F)cc(C(F)(F)F)c1)C[C@H]1C[NH2+]CCO1 ZINC000159325701 197345564 /nfs/dbraw/zinc/34/55/64/197345564.db2.gz ZIQKDYBRADNTOH-CYBMUJFWSA-N 2 2 306.303 2.265 10 0 DEAELP C[N@H+](Cc1cc(F)cc(C(F)(F)F)c1)C[C@H]1C[NH2+]CCO1 ZINC000159325701 197345565 /nfs/dbraw/zinc/34/55/65/197345565.db2.gz ZIQKDYBRADNTOH-CYBMUJFWSA-N 2 2 306.303 2.265 10 0 DEAELP CN(Cc1[nH+]ccn1C)[C@H](C[NH3+])c1ccccc1Br ZINC000062247511 184225310 /nfs/dbraw/zinc/22/53/10/184225310.db2.gz HFSNSTSLRPAFKH-CYBMUJFWSA-N 2 2 323.238 2.314 10 0 DEAELP [NH3+]C[C@@H](c1cccc(Br)c1)N1CCn2cc[nH+]c2C1 ZINC000062246233 184225426 /nfs/dbraw/zinc/22/54/26/184225426.db2.gz RAKSRDCXTXYUGS-ZDUSSCGKSA-N 2 2 321.222 2.161 10 0 DEAELP O=C(NC1CC[NH+](C2CC2)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000117748503 194844706 /nfs/dbraw/zinc/84/47/06/194844706.db2.gz YVZPJCIBLCVJJG-UHFFFAOYSA-N 2 2 310.401 2.229 10 0 DEAELP [NH3+]C1CC[NH+]([C@H]2CCN(C(=O)c3sccc3Cl)C2)CC1 ZINC000159083047 197325963 /nfs/dbraw/zinc/32/59/63/197325963.db2.gz HKRBGRMZKBPHTP-NSHDSACASA-N 2 2 313.854 2.039 10 0 DEAELP Cc1cccc(C[N@@H+]2C[C@@H]3OC[C@H](CNc4cccc[nH+]4)[C@@H]3C2)n1 ZINC000247873095 257115701 /nfs/dbraw/zinc/11/57/01/257115701.db2.gz MJNPRSZRHIDFND-SZMVWBNQSA-N 2 2 324.428 2.344 10 0 DEAELP Cc1cccc(C[N@H+]2C[C@@H]3OC[C@H](CNc4cccc[nH+]4)[C@@H]3C2)n1 ZINC000247873095 257115702 /nfs/dbraw/zinc/11/57/02/257115702.db2.gz MJNPRSZRHIDFND-SZMVWBNQSA-N 2 2 324.428 2.344 10 0 DEAELP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)c2nnnn2C)cc1 ZINC000189858822 145035372 /nfs/dbraw/zinc/03/53/72/145035372.db2.gz NCWMLXFGINZUFK-RYUDHWBXSA-N 2 2 311.393 2.116 10 0 DEAELP CCNC(=O)C[N@H+](CC)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000191894303 145066700 /nfs/dbraw/zinc/06/67/00/145066700.db2.gz YTUDPHXZYBUDKU-UHFFFAOYSA-N 2 2 300.406 2.139 10 0 DEAELP CCNC(=O)C[N@@H+](CC)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000191894303 145066701 /nfs/dbraw/zinc/06/67/01/145066701.db2.gz YTUDPHXZYBUDKU-UHFFFAOYSA-N 2 2 300.406 2.139 10 0 DEAELP COCC[N@@H+]1CCC[C@H]1C[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000193289834 145084440 /nfs/dbraw/zinc/08/44/40/145084440.db2.gz HGBZFSNLDAOJFW-SFHVURJKSA-N 2 2 318.461 2.255 10 0 DEAELP COCC[N@H+]1CCC[C@H]1C[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000193289834 145084442 /nfs/dbraw/zinc/08/44/42/145084442.db2.gz HGBZFSNLDAOJFW-SFHVURJKSA-N 2 2 318.461 2.255 10 0 DEAELP C[C@@H]1CCC[C@H](NC(=O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)[C@H]1C ZINC000246933818 145119576 /nfs/dbraw/zinc/11/95/76/145119576.db2.gz QMEJWCWOFMCQQP-HMDCTGQHSA-N 2 2 309.498 2.342 10 0 DEAELP C[C@@H]1CCC[C@H](NC(=O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)[C@H]1C ZINC000246933818 145119578 /nfs/dbraw/zinc/11/95/78/145119578.db2.gz QMEJWCWOFMCQQP-HMDCTGQHSA-N 2 2 309.498 2.342 10 0 DEAELP C[C@@H]1CCC[C@H](NC(=O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)[C@H]1C ZINC000246933818 145119580 /nfs/dbraw/zinc/11/95/80/145119580.db2.gz QMEJWCWOFMCQQP-HMDCTGQHSA-N 2 2 309.498 2.342 10 0 DEAELP C[C@@H]1CCC[C@H](NC(=O)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)[C@H]1C ZINC000246933818 145119581 /nfs/dbraw/zinc/11/95/81/145119581.db2.gz QMEJWCWOFMCQQP-HMDCTGQHSA-N 2 2 309.498 2.342 10 0 DEAELP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3nc(-c4ccoc4)no3)CC[C@H]21 ZINC000247961363 145145248 /nfs/dbraw/zinc/14/52/48/145145248.db2.gz GGOVKTKOQULNBC-TZMCWYRMSA-N 2 2 302.378 2.246 10 0 DEAELP C[N@H+]1CCC[C@@H]2C[NH+](Cc3nc(-c4ccoc4)no3)CC[C@H]21 ZINC000247961363 145145250 /nfs/dbraw/zinc/14/52/50/145145250.db2.gz GGOVKTKOQULNBC-TZMCWYRMSA-N 2 2 302.378 2.246 10 0 DEAELP C[NH+]1CCC[C@@H]2C[N@H+](Cc3nc(-c4ccoc4)no3)CC[C@H]21 ZINC000247961363 145145252 /nfs/dbraw/zinc/14/52/52/145145252.db2.gz GGOVKTKOQULNBC-TZMCWYRMSA-N 2 2 302.378 2.246 10 0 DEAELP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3nc(-c4ccoc4)no3)CC[C@H]21 ZINC000247961363 145145253 /nfs/dbraw/zinc/14/52/53/145145253.db2.gz GGOVKTKOQULNBC-TZMCWYRMSA-N 2 2 302.378 2.246 10 0 DEAELP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3c[nH]nc3-c3cccnc3)CC[C@H]21 ZINC000252802504 145200945 /nfs/dbraw/zinc/20/09/45/145200945.db2.gz MQNBGWQCAGTPSE-NVXWUHKLSA-N 2 2 311.433 2.388 10 0 DEAELP C[N@H+]1CCC[C@@H]2C[NH+](Cc3c[nH]nc3-c3cccnc3)CC[C@H]21 ZINC000252802504 145200946 /nfs/dbraw/zinc/20/09/46/145200946.db2.gz MQNBGWQCAGTPSE-NVXWUHKLSA-N 2 2 311.433 2.388 10 0 DEAELP C[NH+]1CCC[C@@H]2C[N@H+](Cc3c[nH]nc3-c3cccnc3)CC[C@H]21 ZINC000252802504 145200947 /nfs/dbraw/zinc/20/09/47/145200947.db2.gz MQNBGWQCAGTPSE-NVXWUHKLSA-N 2 2 311.433 2.388 10 0 DEAELP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3c[nH]nc3-c3cccnc3)CC[C@H]21 ZINC000252802504 145200949 /nfs/dbraw/zinc/20/09/49/145200949.db2.gz MQNBGWQCAGTPSE-NVXWUHKLSA-N 2 2 311.433 2.388 10 0 DEAELP CCC[N@H+](CC(=O)Nc1cc(F)cc(F)c1)C1CC[NH2+]CC1 ZINC000261615137 145210701 /nfs/dbraw/zinc/21/07/01/145210701.db2.gz FQHXLTRMTPJDPA-UHFFFAOYSA-N 2 2 311.376 2.367 10 0 DEAELP CCC[N@@H+](CC(=O)Nc1cc(F)cc(F)c1)C1CC[NH2+]CC1 ZINC000261615137 145210702 /nfs/dbraw/zinc/21/07/02/145210702.db2.gz FQHXLTRMTPJDPA-UHFFFAOYSA-N 2 2 311.376 2.367 10 0 DEAELP [NH3+]C[C@@H]1C[N@H+](Cc2ccn(C(F)F)n2)C[C@H]1c1ccccc1 ZINC000261792036 145226759 /nfs/dbraw/zinc/22/67/59/145226759.db2.gz VCRDFVWUVLCLAJ-HIFRSBDPSA-N 2 2 306.360 2.453 10 0 DEAELP [NH3+]C[C@@H]1C[N@@H+](Cc2ccn(C(F)F)n2)C[C@H]1c1ccccc1 ZINC000261792036 145226760 /nfs/dbraw/zinc/22/67/60/145226760.db2.gz VCRDFVWUVLCLAJ-HIFRSBDPSA-N 2 2 306.360 2.453 10 0 DEAELP C[C@@]1(C[NH+]2CCN(C(=O)c3cccc(Cl)c3)CC2)CC[NH2+]C1 ZINC000261929166 145243491 /nfs/dbraw/zinc/24/34/91/145243491.db2.gz COXBLQUFPAYCFH-QGZVFWFLSA-N 2 2 321.852 2.097 10 0 DEAELP COc1cc(OC)c(OC)cc1C[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000262429678 145283544 /nfs/dbraw/zinc/28/35/44/145283544.db2.gz FSEPHHNMXJIQET-INIZCTEOSA-N 2 2 308.422 2.272 10 0 DEAELP COc1cc(OC)c(OC)cc1C[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000262429678 145283545 /nfs/dbraw/zinc/28/35/45/145283545.db2.gz FSEPHHNMXJIQET-INIZCTEOSA-N 2 2 308.422 2.272 10 0 DEAELP COC1([C@@H](C)[NH2+]C[C@H](c2ccccc2)[NH+](C)C)CCOCC1 ZINC000453054299 292136083 /nfs/dbraw/zinc/13/60/83/292136083.db2.gz HIIPEZBJMQNRHZ-NVXWUHKLSA-N 2 2 306.450 2.463 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N(C)[C@@H]1CCC[N@H+](C)C1)C2 ZINC000375264362 148349828 /nfs/dbraw/zinc/34/98/28/148349828.db2.gz YUBIGSIMESJPDJ-UONOGXRCSA-N 2 2 318.465 2.191 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N(C)[C@@H]1CCC[N@@H+](C)C1)C2 ZINC000375264362 148349830 /nfs/dbraw/zinc/34/98/30/148349830.db2.gz YUBIGSIMESJPDJ-UONOGXRCSA-N 2 2 318.465 2.191 10 0 DEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N1CC[NH+](CC(C)C)CC1 ZINC000074534533 401741790 /nfs/dbraw/zinc/74/17/90/401741790.db2.gz WMNYKTMLGJMZES-UHFFFAOYSA-N 2 2 321.469 2.022 10 0 DEAELP Cc1nc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)oc1C ZINC000119529969 401956862 /nfs/dbraw/zinc/95/68/62/401956862.db2.gz QNRHJDCIXBMYJO-SJPCQFCGSA-N 2 2 318.465 2.034 10 0 DEAELP Cc1nc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)oc1C ZINC000119529969 401956863 /nfs/dbraw/zinc/95/68/63/401956863.db2.gz QNRHJDCIXBMYJO-SJPCQFCGSA-N 2 2 318.465 2.034 10 0 DEAELP CCCCOC(=O)C[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000151112442 402017046 /nfs/dbraw/zinc/01/70/46/402017046.db2.gz SKBBSCNVMWIZFI-OAHLLOKOSA-N 2 2 305.422 2.467 10 0 DEAELP CCCCOC(=O)C[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000151112442 402017049 /nfs/dbraw/zinc/01/70/49/402017049.db2.gz SKBBSCNVMWIZFI-OAHLLOKOSA-N 2 2 305.422 2.467 10 0 DEAELP Cc1nc2c(s1)[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)CCC2 ZINC000151318923 402029795 /nfs/dbraw/zinc/02/97/95/402029795.db2.gz ZOMGULAINGDENM-UONOGXRCSA-N 2 2 309.479 2.265 10 0 DEAELP C[C@@H](c1nc(-c2cccnc2)no1)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152420648 402095550 /nfs/dbraw/zinc/09/55/50/402095550.db2.gz QPRGECHOGJIENJ-UONOGXRCSA-N 2 2 315.421 2.466 10 0 DEAELP C[C@@H](c1nc(-c2cccnc2)no1)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152420648 402095551 /nfs/dbraw/zinc/09/55/51/402095551.db2.gz QPRGECHOGJIENJ-UONOGXRCSA-N 2 2 315.421 2.466 10 0 DEAELP C[C@@H](c1nc(-c2cccnc2)no1)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152420648 402095553 /nfs/dbraw/zinc/09/55/53/402095553.db2.gz QPRGECHOGJIENJ-UONOGXRCSA-N 2 2 315.421 2.466 10 0 DEAELP C[C@@H](c1nc(-c2cccnc2)no1)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152420648 402095554 /nfs/dbraw/zinc/09/55/54/402095554.db2.gz QPRGECHOGJIENJ-UONOGXRCSA-N 2 2 315.421 2.466 10 0 DEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2c(C)nn(C)c2OC)C1 ZINC000122910173 402100665 /nfs/dbraw/zinc/10/06/65/402100665.db2.gz FUDDSQOVNKRYTP-AWEZNQCLSA-N 2 2 317.437 2.333 10 0 DEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2c(C)nn(C)c2OC)C1 ZINC000122910173 402100667 /nfs/dbraw/zinc/10/06/67/402100667.db2.gz FUDDSQOVNKRYTP-AWEZNQCLSA-N 2 2 317.437 2.333 10 0 DEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)N2CCCCCC2)C1 ZINC000105896413 402210582 /nfs/dbraw/zinc/21/05/82/402210582.db2.gz JQSOADUDEGXHAK-INIZCTEOSA-N 2 2 318.465 2.485 10 0 DEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)N2CCCCCC2)C1 ZINC000105896413 402210583 /nfs/dbraw/zinc/21/05/83/402210583.db2.gz JQSOADUDEGXHAK-INIZCTEOSA-N 2 2 318.465 2.485 10 0 DEAELP CC(C)(C)[NH+]1CCC(NC(=O)[C@H]2CCCn3cc[nH+]c32)CC1 ZINC000176073286 402276181 /nfs/dbraw/zinc/27/61/81/402276181.db2.gz ZCCFNVAYIAMGCA-AWEZNQCLSA-N 2 2 304.438 2.140 10 0 DEAELP C[C@H](NC(=O)N(C)CC[NH+](C)C)c1cccc(-n2cc[nH+]c2)c1 ZINC000176425465 402307909 /nfs/dbraw/zinc/30/79/09/402307909.db2.gz JKUCKEPTHDQJEG-AWEZNQCLSA-N 2 2 315.421 2.136 10 0 DEAELP Cn1cc(-c2cc(C[N@H+](C)CC[C@@H]3CCCC[NH+]3C)on2)cn1 ZINC000185012213 402316970 /nfs/dbraw/zinc/31/69/70/402316970.db2.gz ZTKBQPATDFHBFF-HNNXBMFYSA-N 2 2 317.437 2.381 10 0 DEAELP Cn1cc(-c2cc(C[N@@H+](C)CC[C@@H]3CCCC[NH+]3C)on2)cn1 ZINC000185012213 402316972 /nfs/dbraw/zinc/31/69/72/402316972.db2.gz ZTKBQPATDFHBFF-HNNXBMFYSA-N 2 2 317.437 2.381 10 0 DEAELP Cn1cc(-c2cc(C[NH+](C)CC[C@@H]3CCCC[N@@H+]3C)on2)cn1 ZINC000185012213 402316973 /nfs/dbraw/zinc/31/69/73/402316973.db2.gz ZTKBQPATDFHBFF-HNNXBMFYSA-N 2 2 317.437 2.381 10 0 DEAELP Cn1cc(-c2cc(C[NH+](C)CC[C@@H]3CCCC[N@H+]3C)on2)cn1 ZINC000185012213 402316975 /nfs/dbraw/zinc/31/69/75/402316975.db2.gz ZTKBQPATDFHBFF-HNNXBMFYSA-N 2 2 317.437 2.381 10 0 DEAELP Cc1ccc(N2CCC([NH2+][C@@H]3CC[N@H+](C)[C@H](C)C3)CC2)[nH+]c1 ZINC000163454371 402450509 /nfs/dbraw/zinc/45/05/09/402450509.db2.gz FKNGOKXCQXWAFS-NVXWUHKLSA-N 3 2 302.466 2.431 10 0 DEAELP Cc1ccc(N2CCC([NH2+][C@@H]3CC[N@@H+](C)[C@H](C)C3)CC2)[nH+]c1 ZINC000163454371 402450511 /nfs/dbraw/zinc/45/05/11/402450511.db2.gz FKNGOKXCQXWAFS-NVXWUHKLSA-N 3 2 302.466 2.431 10 0 DEAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc2c(c1)OCCO2 ZINC000163377277 402448012 /nfs/dbraw/zinc/44/80/12/402448012.db2.gz QVFODUDQHUCQLX-ZBFHGGJFSA-N 2 2 320.433 2.219 10 0 DEAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc2c(c1)OCCO2 ZINC000163377277 402448016 /nfs/dbraw/zinc/44/80/16/402448016.db2.gz QVFODUDQHUCQLX-ZBFHGGJFSA-N 2 2 320.433 2.219 10 0 DEAELP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCn3cc[nH+]c32)C1 ZINC000178561710 402512070 /nfs/dbraw/zinc/51/20/70/402512070.db2.gz FPUHZZYHFJAJHQ-HZPDHXFCSA-N 2 2 318.465 2.245 10 0 DEAELP CC(C)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCn3cc[nH+]c32)C1 ZINC000178561710 402512074 /nfs/dbraw/zinc/51/20/74/402512074.db2.gz FPUHZZYHFJAJHQ-HZPDHXFCSA-N 2 2 318.465 2.245 10 0 DEAELP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCn3cc[nH+]c32)C1 ZINC000178561816 402512100 /nfs/dbraw/zinc/51/21/00/402512100.db2.gz FPUHZZYHFJAJHQ-JKSUJKDBSA-N 2 2 318.465 2.245 10 0 DEAELP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCn3cc[nH+]c32)C1 ZINC000178561816 402512104 /nfs/dbraw/zinc/51/21/04/402512104.db2.gz FPUHZZYHFJAJHQ-JKSUJKDBSA-N 2 2 318.465 2.245 10 0 DEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N(C)Cc2cccs2)[C@@H](C)C1 ZINC000246467744 402532318 /nfs/dbraw/zinc/53/23/18/402532318.db2.gz GOCOIBJTNDPKER-HOCLYGCPSA-N 2 2 323.506 2.369 10 0 DEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N(C)Cc2cccs2)[C@@H](C)C1 ZINC000246467744 402532321 /nfs/dbraw/zinc/53/23/21/402532321.db2.gz GOCOIBJTNDPKER-HOCLYGCPSA-N 2 2 323.506 2.369 10 0 DEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N(C)Cc2cccs2)[C@@H](C)C1 ZINC000246467744 402532323 /nfs/dbraw/zinc/53/23/23/402532323.db2.gz GOCOIBJTNDPKER-HOCLYGCPSA-N 2 2 323.506 2.369 10 0 DEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N(C)Cc2cccs2)[C@@H](C)C1 ZINC000246467744 402532326 /nfs/dbraw/zinc/53/23/26/402532326.db2.gz GOCOIBJTNDPKER-HOCLYGCPSA-N 2 2 323.506 2.369 10 0 DEAELP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](C[C@@H](O)C(F)(F)F)C1 ZINC000248573813 402596909 /nfs/dbraw/zinc/59/69/09/402596909.db2.gz MTRUNKOIIBPDCE-HZSPNIEDSA-N 2 2 308.388 2.496 10 0 DEAELP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C[C@@H](O)C(F)(F)F)C1 ZINC000248573813 402596910 /nfs/dbraw/zinc/59/69/10/402596910.db2.gz MTRUNKOIIBPDCE-HZSPNIEDSA-N 2 2 308.388 2.496 10 0 DEAELP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C[C@@H](O)C(F)(F)F)C1 ZINC000248573813 402596911 /nfs/dbraw/zinc/59/69/11/402596911.db2.gz MTRUNKOIIBPDCE-HZSPNIEDSA-N 2 2 308.388 2.496 10 0 DEAELP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C[C@@H](O)C(F)(F)F)C1 ZINC000248573813 402596913 /nfs/dbraw/zinc/59/69/13/402596913.db2.gz MTRUNKOIIBPDCE-HZSPNIEDSA-N 2 2 308.388 2.496 10 0 DEAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](Cc2ccnn2C)C1 ZINC000190458945 402602125 /nfs/dbraw/zinc/60/21/25/402602125.db2.gz LGJQRXSLFVQDCG-CQSZACIVSA-N 2 2 319.478 2.139 10 0 DEAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccnn2C)C1 ZINC000190458945 402602128 /nfs/dbraw/zinc/60/21/28/402602128.db2.gz LGJQRXSLFVQDCG-CQSZACIVSA-N 2 2 319.478 2.139 10 0 DEAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](Cc2ccnn2C)C1 ZINC000190458945 402602130 /nfs/dbraw/zinc/60/21/30/402602130.db2.gz LGJQRXSLFVQDCG-CQSZACIVSA-N 2 2 319.478 2.139 10 0 DEAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](Cc2cnn(C)c2)C1 ZINC000190462559 402603029 /nfs/dbraw/zinc/60/30/29/402603029.db2.gz OBODJKBCSQVZMN-CQSZACIVSA-N 2 2 319.478 2.139 10 0 DEAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](Cc2cnn(C)c2)C1 ZINC000190462559 402603031 /nfs/dbraw/zinc/60/30/31/402603031.db2.gz OBODJKBCSQVZMN-CQSZACIVSA-N 2 2 319.478 2.139 10 0 DEAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](Cc2cnn(C)c2)C1 ZINC000190462559 402603032 /nfs/dbraw/zinc/60/30/32/402603032.db2.gz OBODJKBCSQVZMN-CQSZACIVSA-N 2 2 319.478 2.139 10 0 DEAELP C[C@H]([NH3+])CCC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000248840788 402610494 /nfs/dbraw/zinc/61/04/94/402610494.db2.gz FWVCWWWQYJHIBY-RRFJBIMHSA-N 2 2 319.449 2.362 10 0 DEAELP C[C@H]([NH3+])CCC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000248840787 402610726 /nfs/dbraw/zinc/61/07/26/402610726.db2.gz FWVCWWWQYJHIBY-KKUMJFAQSA-N 2 2 319.449 2.362 10 0 DEAELP CC(C)Cn1cc[nH+]c1CNC(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000192536632 402735758 /nfs/dbraw/zinc/73/57/58/402735758.db2.gz CGJOERJNABEUKW-KRWDZBQOSA-N 2 2 300.406 2.029 10 0 DEAELP CC[C@@H]1CCCCN1C(=O)C[N@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000174770009 402756151 /nfs/dbraw/zinc/75/61/51/402756151.db2.gz OYTUKAFCULEKTI-GVDBMIGSSA-N 2 2 309.498 2.440 10 0 DEAELP CC[C@@H]1CCCCN1C(=O)C[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000174770009 402756152 /nfs/dbraw/zinc/75/61/52/402756152.db2.gz OYTUKAFCULEKTI-GVDBMIGSSA-N 2 2 309.498 2.440 10 0 DEAELP CC[C@@H]1CCCCN1C(=O)C[NH+](C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000174770009 402756155 /nfs/dbraw/zinc/75/61/55/402756155.db2.gz OYTUKAFCULEKTI-GVDBMIGSSA-N 2 2 309.498 2.440 10 0 DEAELP CC[C@@H]1CCCCN1C(=O)C[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000174770009 402756157 /nfs/dbraw/zinc/75/61/57/402756157.db2.gz OYTUKAFCULEKTI-GVDBMIGSSA-N 2 2 309.498 2.440 10 0 DEAELP O[C@@H](C[NH2+]Cc1cnc(-c2ccco2)s1)C[NH+]1CCCCC1 ZINC000193037056 402761669 /nfs/dbraw/zinc/76/16/69/402761669.db2.gz GYDUJDNXWMLWME-ZDUSSCGKSA-N 2 2 321.446 2.340 10 0 DEAELP CCN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515907 402848740 /nfs/dbraw/zinc/84/87/40/402848740.db2.gz SIVTTZCUNSJKGQ-HUUCEWRRSA-N 2 2 304.438 2.072 10 0 DEAELP CCN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515907 402848741 /nfs/dbraw/zinc/84/87/41/402848741.db2.gz SIVTTZCUNSJKGQ-HUUCEWRRSA-N 2 2 304.438 2.072 10 0 DEAELP Cc1cn2cc(NC(=O)N3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)ccc2[nH+]1 ZINC000333168444 403684231 /nfs/dbraw/zinc/68/42/31/403684231.db2.gz PHDVLZRKBOKQAE-QEJZJMRPSA-N 2 2 313.405 2.234 10 0 DEAELP Cc1nc(N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)nc(N)[nH+]1 ZINC000309931414 403964638 /nfs/dbraw/zinc/96/46/38/403964638.db2.gz WHXOIUKWTVCZEE-WFASDCNBSA-N 2 2 312.421 2.085 10 0 DEAELP Cc1nc(N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)nc(N)[nH+]1 ZINC000309931414 403964643 /nfs/dbraw/zinc/96/46/43/403964643.db2.gz WHXOIUKWTVCZEE-WFASDCNBSA-N 2 2 312.421 2.085 10 0 DEAELP Cc1nc(N)nc(N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)[nH+]1 ZINC000309931414 403964646 /nfs/dbraw/zinc/96/46/46/403964646.db2.gz WHXOIUKWTVCZEE-WFASDCNBSA-N 2 2 312.421 2.085 10 0 DEAELP Cc1nc(N)nc(N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)[nH+]1 ZINC000309931414 403964654 /nfs/dbraw/zinc/96/46/54/403964654.db2.gz WHXOIUKWTVCZEE-WFASDCNBSA-N 2 2 312.421 2.085 10 0 DEAELP [NH3+]CC[C@H]([NH3+])c1cc(Br)c(O)c(Br)c1 ZINC000307471517 403952961 /nfs/dbraw/zinc/95/29/61/403952961.db2.gz RKRHDQSNBPIZPB-QMMMGPOBSA-N 2 2 324.016 2.266 10 0 DEAELP Cn1c[nH+]c(CC[NH2+]C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC000313261885 403980741 /nfs/dbraw/zinc/98/07/41/403980741.db2.gz KAOHSPAYMNHSPU-CQSZACIVSA-N 2 2 322.453 2.199 10 0 DEAELP c1ccc(N2CC[NH+](CCC[N@@H+]3CC[C@@]34CCOC4)CC2)cc1 ZINC000421018698 405431571 /nfs/dbraw/zinc/43/15/71/405431571.db2.gz LNVSVJSYRHAXDX-IBGZPJMESA-N 2 2 315.461 2.064 10 0 DEAELP c1ccc(N2CC[NH+](CCC[N@H+]3CC[C@@]34CCOC4)CC2)cc1 ZINC000421018698 405431574 /nfs/dbraw/zinc/43/15/74/405431574.db2.gz LNVSVJSYRHAXDX-IBGZPJMESA-N 2 2 315.461 2.064 10 0 DEAELP c1c(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)onc1C1CC1 ZINC000638670005 405606812 /nfs/dbraw/zinc/60/68/12/405606812.db2.gz YZQYYAKOQYNYGX-ZDUSSCGKSA-N 2 2 305.422 2.143 10 0 DEAELP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2c(Br)cnn2C)C1 ZINC000486987898 406196010 /nfs/dbraw/zinc/19/60/10/406196010.db2.gz HFVUFENXJGUTJK-NSHDSACASA-N 2 2 315.259 2.004 10 0 DEAELP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2c(Br)cnn2C)C1 ZINC000486987898 406196016 /nfs/dbraw/zinc/19/60/16/406196016.db2.gz HFVUFENXJGUTJK-NSHDSACASA-N 2 2 315.259 2.004 10 0 DEAELP c1nc(N2CCC[C@@H]3C[NH2+]CC[C@H]32)cc(N2CCCCC2)[nH+]1 ZINC000634812292 406295895 /nfs/dbraw/zinc/29/58/95/406295895.db2.gz DZTUFFLBVCZIOE-HUUCEWRRSA-N 2 2 301.438 2.045 10 0 DEAELP c1nc(N2CCCCC2)cc(N2CCC[C@@H]3C[NH2+]CC[C@H]32)[nH+]1 ZINC000634812292 406295896 /nfs/dbraw/zinc/29/58/96/406295896.db2.gz DZTUFFLBVCZIOE-HUUCEWRRSA-N 2 2 301.438 2.045 10 0 DEAELP C[N@H+](CC[C@H]1COCC[NH2+]1)Cc1ccccc1Br ZINC000129402861 196044464 /nfs/dbraw/zinc/04/44/64/196044464.db2.gz SLRJYOXSMGLHDX-ZDUSSCGKSA-N 2 2 313.239 2.259 10 0 DEAELP C[N@@H+](CC[C@H]1COCC[NH2+]1)Cc1ccccc1Br ZINC000129402861 196044466 /nfs/dbraw/zinc/04/44/66/196044466.db2.gz SLRJYOXSMGLHDX-ZDUSSCGKSA-N 2 2 313.239 2.259 10 0 DEAELP C[C@@H](CC[NH2+]C1CC[NH+](Cc2ccccc2)CC1)[S@](C)=O ZINC000129456392 196050505 /nfs/dbraw/zinc/05/05/05/196050505.db2.gz OUSXSOBKBGKLII-YCRPNKLZSA-N 2 2 308.491 2.398 10 0 DEAELP Cc1cc(C(=O)N2CC[C@H]([NH+]3CCC([NH3+])CC3)C2)sc1C ZINC000130728386 196104425 /nfs/dbraw/zinc/10/44/25/196104425.db2.gz YLQKHTUOSPMEMW-AWEZNQCLSA-N 2 2 307.463 2.003 10 0 DEAELP CC[NH+](CC)C[C@H](C)Nc1nc(NC)[nH+]cc1Br ZINC000132342214 196247138 /nfs/dbraw/zinc/24/71/38/196247138.db2.gz WWZDETQELZNKHM-VIFPVBQESA-N 2 2 316.247 2.423 10 0 DEAELP CC(C)[N@H+](C)CCCCNc1nc(N)[nH+]cc1Br ZINC000132309855 196244337 /nfs/dbraw/zinc/24/43/37/196244337.db2.gz PXMSEUZQDAQPIA-UHFFFAOYSA-N 2 2 316.247 2.354 10 0 DEAELP CC(C)[N@@H+](C)CCCCNc1nc(N)[nH+]cc1Br ZINC000132309855 196244339 /nfs/dbraw/zinc/24/43/39/196244339.db2.gz PXMSEUZQDAQPIA-UHFFFAOYSA-N 2 2 316.247 2.354 10 0 DEAELP CCCCCCNC(=O)C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000105875887 424849530 /nfs/dbraw/zinc/84/95/30/424849530.db2.gz LZKWQGLSUNQWOC-UHFFFAOYSA-N 2 2 320.481 2.371 10 0 DEAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NCc2cccc(C)c2)[C@H](C)C1 ZINC000079461150 267376462 /nfs/dbraw/zinc/37/64/62/267376462.db2.gz FOSXTXNCNXASSE-SJLPKXTDSA-N 2 2 317.477 2.273 10 0 DEAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NCc2cccc(C)c2)[C@H](C)C1 ZINC000079461150 267376463 /nfs/dbraw/zinc/37/64/63/267376463.db2.gz FOSXTXNCNXASSE-SJLPKXTDSA-N 2 2 317.477 2.273 10 0 DEAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NCc2cccc(C)c2)[C@H](C)C1 ZINC000079461150 267376465 /nfs/dbraw/zinc/37/64/65/267376465.db2.gz FOSXTXNCNXASSE-SJLPKXTDSA-N 2 2 317.477 2.273 10 0 DEAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NCc2cccc(C)c2)[C@H](C)C1 ZINC000079461150 267376466 /nfs/dbraw/zinc/37/64/66/267376466.db2.gz FOSXTXNCNXASSE-SJLPKXTDSA-N 2 2 317.477 2.273 10 0 DEAELP CC1CCC(O)(C[NH+]2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)CC1 ZINC000157967833 276191714 /nfs/dbraw/zinc/19/17/14/276191714.db2.gz XQAXFJCBBAYAMD-PQUAAJSLSA-N 2 2 310.482 2.113 10 0 DEAELP CC1CCC(O)(C[NH+]2CCC([N@H+]3CCO[C@@H](C)C3)CC2)CC1 ZINC000157967833 276191716 /nfs/dbraw/zinc/19/17/16/276191716.db2.gz XQAXFJCBBAYAMD-PQUAAJSLSA-N 2 2 310.482 2.113 10 0 DEAELP C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC000176299239 277080962 /nfs/dbraw/zinc/08/09/62/277080962.db2.gz KYGLEOQQXCDICV-IRXDYDNUSA-N 2 2 319.424 2.001 10 0 DEAELP C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC000176299239 277080964 /nfs/dbraw/zinc/08/09/64/277080964.db2.gz KYGLEOQQXCDICV-IRXDYDNUSA-N 2 2 319.424 2.001 10 0 DEAELP C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000176299239 277080965 /nfs/dbraw/zinc/08/09/65/277080965.db2.gz KYGLEOQQXCDICV-IRXDYDNUSA-N 2 2 319.424 2.001 10 0 DEAELP C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000176299239 277080967 /nfs/dbraw/zinc/08/09/67/277080967.db2.gz KYGLEOQQXCDICV-IRXDYDNUSA-N 2 2 319.424 2.001 10 0 DEAELP CC(C)(C)c1nnc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)s1 ZINC000261978212 277278641 /nfs/dbraw/zinc/27/86/41/277278641.db2.gz RIXIQTGFXKHCCW-UPJWGTAASA-N 2 2 324.494 2.082 10 0 DEAELP CC(C)n1ccnc1C[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000161864636 278134861 /nfs/dbraw/zinc/13/48/61/278134861.db2.gz QQRPTHWXLFAURN-KRWDZBQOSA-N 2 2 319.497 2.066 10 0 DEAELP CC(C)n1ccnc1C[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000161864636 278134863 /nfs/dbraw/zinc/13/48/63/278134863.db2.gz QQRPTHWXLFAURN-KRWDZBQOSA-N 2 2 319.497 2.066 10 0 DEAELP Cc1nnc([C@@H](C)[N@@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)[nH]1 ZINC000408466854 293358452 /nfs/dbraw/zinc/35/84/52/293358452.db2.gz MRAHYLFGMNWVFL-DGCLKSJQSA-N 2 2 300.410 2.196 10 0 DEAELP Cc1nnc([C@@H](C)[N@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)[nH]1 ZINC000408466854 293358454 /nfs/dbraw/zinc/35/84/54/293358454.db2.gz MRAHYLFGMNWVFL-DGCLKSJQSA-N 2 2 300.410 2.196 10 0 DEAELP CCCCOC[C@H](O)C[NH2+][C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000398014627 337303889 /nfs/dbraw/zinc/30/38/89/337303889.db2.gz FVCJQJABFWECGI-NZSAHSFTSA-N 2 2 320.477 2.417 10 0 DEAELP CCCCOC[C@H](O)C[NH2+][C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000398014627 337303890 /nfs/dbraw/zinc/30/38/90/337303890.db2.gz FVCJQJABFWECGI-NZSAHSFTSA-N 2 2 320.477 2.417 10 0 DEAELP c1nc2cnccn2c1C[N@@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000299744864 534538314 /nfs/dbraw/zinc/53/83/14/534538314.db2.gz VAOBDRRFQCFZKZ-CQSZACIVSA-N 2 2 322.416 2.252 10 0 DEAELP c1nc2cnccn2c1C[N@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000299744864 534538318 /nfs/dbraw/zinc/53/83/18/534538318.db2.gz VAOBDRRFQCFZKZ-CQSZACIVSA-N 2 2 322.416 2.252 10 0 DEAELP O=C(C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1)NCC1CCCCC1 ZINC000156305540 526807211 /nfs/dbraw/zinc/80/72/11/526807211.db2.gz NTVRXIHYXWDPLN-KRWDZBQOSA-N 2 2 317.433 2.231 10 0 DEAELP O=C(C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1)NCC1CCCCC1 ZINC000156305540 526807218 /nfs/dbraw/zinc/80/72/18/526807218.db2.gz NTVRXIHYXWDPLN-KRWDZBQOSA-N 2 2 317.433 2.231 10 0 DEAELP C[N@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C[C@]1(C)CC[NH2+]C1 ZINC000261692742 536449753 /nfs/dbraw/zinc/44/97/53/536449753.db2.gz BBWCKLIVTRPCTP-RTBURBONSA-N 3 2 301.478 2.440 10 0 DEAELP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C[C@]1(C)CC[NH2+]C1 ZINC000261692742 536449756 /nfs/dbraw/zinc/44/97/56/536449756.db2.gz BBWCKLIVTRPCTP-RTBURBONSA-N 3 2 301.478 2.440 10 0 DEAELP C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)C[C@]1(C)CC[NH2+]C1 ZINC000261692742 536449758 /nfs/dbraw/zinc/44/97/58/536449758.db2.gz BBWCKLIVTRPCTP-RTBURBONSA-N 3 2 301.478 2.440 10 0 DEAELP C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@]1(C)CC[NH2+]C1 ZINC000261692742 536449761 /nfs/dbraw/zinc/44/97/61/536449761.db2.gz BBWCKLIVTRPCTP-RTBURBONSA-N 3 2 301.478 2.440 10 0 DEAELP Cn1cnc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)c1 ZINC000309920806 625251104 /nfs/dbraw/zinc/25/11/04/625251104.db2.gz QPNWWIAKPSNGTQ-NZSAHSFTSA-N 2 2 310.445 2.420 10 0 DEAELP Cn1cnc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)c1 ZINC000309920806 625251107 /nfs/dbraw/zinc/25/11/07/625251107.db2.gz QPNWWIAKPSNGTQ-NZSAHSFTSA-N 2 2 310.445 2.420 10 0 DEAELP CC(C)[N@@H+]1CC[C@H](CNC(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000738949893 637545121 /nfs/dbraw/zinc/54/51/21/637545121.db2.gz DEBPQILFDMUWPH-CYBMUJFWSA-N 2 2 301.394 2.186 10 0 DEAELP CC(C)[N@H+]1CC[C@H](CNC(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000738949893 637545123 /nfs/dbraw/zinc/54/51/23/637545123.db2.gz DEBPQILFDMUWPH-CYBMUJFWSA-N 2 2 301.394 2.186 10 0 DEAELP Cc1[nH+]c[nH]c1CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000713341229 792219546 /nfs/dbraw/zinc/21/95/46/792219546.db2.gz CGJZOGMJQAFHHW-CJNGLKHVSA-N 2 2 312.417 2.102 10 0 DEAELP Cc1[nH+]c[nH]c1CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000713341229 792219547 /nfs/dbraw/zinc/21/95/47/792219547.db2.gz CGJZOGMJQAFHHW-CJNGLKHVSA-N 2 2 312.417 2.102 10 0 DEAELP C[C@H]1C[C@@H]([NH2+]CCn2cc[nH+]c2)CN(C(=O)OC(C)(C)C)C1 ZINC000401726745 801846152 /nfs/dbraw/zinc/84/61/52/801846152.db2.gz MDZYZROFROPMHM-UONOGXRCSA-N 2 2 308.426 2.118 10 0 DEAELP C[C@H](CCCO)[NH2+][C@@H](C[NH3+])c1cc(Br)cs1 ZINC000087359040 185222753 /nfs/dbraw/zinc/22/27/53/185222753.db2.gz DEIVRAXOCALZIV-SCZZXKLOSA-N 2 2 307.257 2.261 10 0 DEAELP C[C@@H]1[C@@H]2C[NH2+]C[C@@H]2C[N@@H+]1Cc1cc(Cl)cc2c1OCOC2 ZINC000090327911 185291272 /nfs/dbraw/zinc/29/12/72/185291272.db2.gz GPELVEHTXNAMJI-YVLXSGLVSA-N 2 2 308.809 2.246 10 0 DEAELP C[C@@H]1[C@@H]2C[NH2+]C[C@@H]2C[N@H+]1Cc1cc(Cl)cc2c1OCOC2 ZINC000090327911 185291273 /nfs/dbraw/zinc/29/12/73/185291273.db2.gz GPELVEHTXNAMJI-YVLXSGLVSA-N 2 2 308.809 2.246 10 0 DEAELP CC[NH2+][C@@H]1C(=O)Nc2cc(-n3cc[nH+]c3)c(Br)cc21 ZINC000092776127 185339872 /nfs/dbraw/zinc/33/98/72/185339872.db2.gz WFTUPSZFKSMDGC-LBPRGKRZSA-N 2 2 321.178 2.238 10 0 DEAELP CC[C@H]([NH3+])[C@@H](c1sccc1C)[NH+]1CCC(NC(C)=O)CC1 ZINC000133698273 186008354 /nfs/dbraw/zinc/00/83/54/186008354.db2.gz ODPBNGRACSQRIF-GJZGRUSLSA-N 2 2 309.479 2.435 10 0 DEAELP C[NH2+][C@H](Cc1cc[nH+]c(N)c1)c1ncccc1Br ZINC000140386653 186026614 /nfs/dbraw/zinc/02/66/14/186026614.db2.gz RGZQKRYYKZNAIN-LLVKDONJSA-N 2 2 307.195 2.325 10 0 DEAELP CCNc1cc(N2CC[C@@H]([NH+]3CCCC3)C2)nc(SC)[nH+]1 ZINC000149941975 186053636 /nfs/dbraw/zinc/05/36/36/186053636.db2.gz XAWNYBOULQXVTK-GFCCVEGCSA-N 2 2 307.467 2.305 10 0 DEAELP C[C@H]1C[C@@H]([NH+](C)CC(=O)N(C2CC2)C2CCCC2)CC[N@@H+]1C ZINC000123519638 291060598 /nfs/dbraw/zinc/06/05/98/291060598.db2.gz QHOXCRGBLBGDSW-YOEHRIQHSA-N 2 2 307.482 2.335 10 0 DEAELP C[C@H]1C[C@@H]([NH+](C)CC(=O)N(C2CC2)C2CCCC2)CC[N@H+]1C ZINC000123519638 291060599 /nfs/dbraw/zinc/06/05/99/291060599.db2.gz QHOXCRGBLBGDSW-YOEHRIQHSA-N 2 2 307.482 2.335 10 0 DEAELP C[C@H]1C[C@@H]([N@H+](C)CC(=O)N(C2CC2)C2CCCC2)CC[NH+]1C ZINC000123519638 291060600 /nfs/dbraw/zinc/06/06/00/291060600.db2.gz QHOXCRGBLBGDSW-YOEHRIQHSA-N 2 2 307.482 2.335 10 0 DEAELP C[C@H]1C[C@@H]([N@@H+](C)CC(=O)N(C2CC2)C2CCCC2)CC[NH+]1C ZINC000123519638 291060601 /nfs/dbraw/zinc/06/06/01/291060601.db2.gz QHOXCRGBLBGDSW-YOEHRIQHSA-N 2 2 307.482 2.335 10 0 DEAELP c1c[nH+]c([C@H]2CCC[N@@H+](Cc3cnn(-c4ccccc4)n3)C2)[nH]1 ZINC000080958638 355395782 /nfs/dbraw/zinc/39/57/82/355395782.db2.gz HZRHWQXFHDMNTQ-AWEZNQCLSA-N 2 2 308.389 2.370 10 0 DEAELP c1c[nH+]c([C@H]2CCC[N@H+](Cc3cnn(-c4ccccc4)n3)C2)[nH]1 ZINC000080958638 355395784 /nfs/dbraw/zinc/39/57/84/355395784.db2.gz HZRHWQXFHDMNTQ-AWEZNQCLSA-N 2 2 308.389 2.370 10 0 DEAELP C[C@@H](c1nc(C2CC2)no1)[N@H+](C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000328655570 356467019 /nfs/dbraw/zinc/46/70/19/356467019.db2.gz YMCDIKDSUWZHIH-NWDGAFQWSA-N 2 2 301.394 2.399 10 0 DEAELP C[C@@H](c1nc(C2CC2)no1)[N@@H+](C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000328655570 356467020 /nfs/dbraw/zinc/46/70/20/356467020.db2.gz YMCDIKDSUWZHIH-NWDGAFQWSA-N 2 2 301.394 2.399 10 0 DEAELP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1nc2ccccc2n1C ZINC000180044990 199111565 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DEAELP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)Nc3ccc(F)c(F)c3)CC[C@H]21 ZINC000247304421 145132562 /nfs/dbraw/zinc/13/25/62/145132562.db2.gz UXVPBJCSJWCRDH-BLLLJJGKSA-N 2 2 323.387 2.319 10 0 DEAELP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)Nc3ccc(F)c(F)c3)CC[C@H]21 ZINC000247304421 145132563 /nfs/dbraw/zinc/13/25/63/145132563.db2.gz UXVPBJCSJWCRDH-BLLLJJGKSA-N 2 2 323.387 2.319 10 0 DEAELP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)Nc3ccc(F)c(F)c3)CC[C@H]21 ZINC000247304421 145132565 /nfs/dbraw/zinc/13/25/65/145132565.db2.gz UXVPBJCSJWCRDH-BLLLJJGKSA-N 2 2 323.387 2.319 10 0 DEAELP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)Nc3ccc(F)c(F)c3)CC[C@H]21 ZINC000247304421 145132566 /nfs/dbraw/zinc/13/25/66/145132566.db2.gz UXVPBJCSJWCRDH-BLLLJJGKSA-N 2 2 323.387 2.319 10 0 DEAELP CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2cn3ccccc3[nH+]2)[C@@H](C)C1 ZINC000247516398 145140347 /nfs/dbraw/zinc/14/03/47/145140347.db2.gz WCTPITGFTLYECZ-HOCLYGCPSA-N 2 2 314.433 2.066 10 0 DEAELP CC[N@H+]1CC[C@H](N(C)C(=O)Cc2cn3ccccc3[nH+]2)[C@@H](C)C1 ZINC000247516398 145140350 /nfs/dbraw/zinc/14/03/50/145140350.db2.gz WCTPITGFTLYECZ-HOCLYGCPSA-N 2 2 314.433 2.066 10 0 DEAELP Cc1ccc(NC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000247966205 145145586 /nfs/dbraw/zinc/14/55/86/145145586.db2.gz GUPXRNQTGQKDAV-DOTOQJQBSA-N 2 2 301.434 2.350 10 0 DEAELP Cc1ccc(NC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000247966205 145145587 /nfs/dbraw/zinc/14/55/87/145145587.db2.gz GUPXRNQTGQKDAV-DOTOQJQBSA-N 2 2 301.434 2.350 10 0 DEAELP Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000247966205 145145589 /nfs/dbraw/zinc/14/55/89/145145589.db2.gz GUPXRNQTGQKDAV-DOTOQJQBSA-N 2 2 301.434 2.350 10 0 DEAELP Cc1ccc(NC(=O)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000247966205 145145590 /nfs/dbraw/zinc/14/55/90/145145590.db2.gz GUPXRNQTGQKDAV-DOTOQJQBSA-N 2 2 301.434 2.350 10 0 DEAELP CCCC[C@@H](C(=O)OC)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000252744180 145200939 /nfs/dbraw/zinc/20/09/39/145200939.db2.gz VXSAECIQRJLYNZ-GJZGRUSLSA-N 2 2 307.438 2.406 10 0 DEAELP Cc1ccc([C@H]([NH3+])C(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000261609935 145210025 /nfs/dbraw/zinc/21/00/25/145210025.db2.gz DMZGPTXLMARLNL-SFHVURJKSA-N 2 2 324.428 2.175 10 0 DEAELP O=C(NC1CCN(c2cccc[nH+]2)CC1)c1ccc2c(c1)C[NH2+]C2 ZINC000261684355 145216267 /nfs/dbraw/zinc/21/62/67/145216267.db2.gz NBQVQLDAQXOZFB-UHFFFAOYSA-N 2 2 322.412 2.084 10 0 DEAELP C[C@@H](C(=O)N1CCCc2ccccc21)[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261711424 145219290 /nfs/dbraw/zinc/21/92/90/145219290.db2.gz MMXWUDPTUZIXTQ-WMLDXEAASA-N 2 2 315.461 2.414 10 0 DEAELP C[C@@H](C(=O)N1CCCc2ccccc21)[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261711424 145219292 /nfs/dbraw/zinc/21/92/92/145219292.db2.gz MMXWUDPTUZIXTQ-WMLDXEAASA-N 2 2 315.461 2.414 10 0 DEAELP Cc1ccccc1CN(C)C(=O)[C@H](C)[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261724462 145220837 /nfs/dbraw/zinc/22/08/37/145220837.db2.gz NSSWPXIAGKAMIP-RDJZCZTQSA-N 2 2 317.477 2.401 10 0 DEAELP Cc1ccccc1CN(C)C(=O)[C@H](C)[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261724462 145220838 /nfs/dbraw/zinc/22/08/38/145220838.db2.gz NSSWPXIAGKAMIP-RDJZCZTQSA-N 2 2 317.477 2.401 10 0 DEAELP C[N@H+](C[C@@]1(C)CC[NH2+]C1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000261767705 145224369 /nfs/dbraw/zinc/22/43/69/145224369.db2.gz MBYFVUKKFYYYBH-IBGZPJMESA-N 3 2 316.493 2.020 10 0 DEAELP C[N@@H+](C[C@@]1(C)CC[NH2+]C1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000261767705 145224371 /nfs/dbraw/zinc/22/43/71/145224371.db2.gz MBYFVUKKFYYYBH-IBGZPJMESA-N 3 2 316.493 2.020 10 0 DEAELP CC(C)c1ccc(NC(=O)C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000262528173 145290433 /nfs/dbraw/zinc/29/04/33/145290433.db2.gz PDEIOSHBMWHKSI-USXIJHARSA-N 2 2 301.434 2.418 10 0 DEAELP CC(C)c1ccc(NC(=O)C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000262528173 145290436 /nfs/dbraw/zinc/29/04/36/145290436.db2.gz PDEIOSHBMWHKSI-USXIJHARSA-N 2 2 301.434 2.418 10 0 DEAELP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccc(-c2ccccc2)cc1F ZINC000263223037 145338197 /nfs/dbraw/zinc/33/81/97/145338197.db2.gz MFAMYEGCZQZLFR-WMZOPIPTSA-N 2 2 300.377 2.163 10 0 DEAELP COc1ccc([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)c(OC)c1 ZINC000151324459 402029462 /nfs/dbraw/zinc/02/94/62/402029462.db2.gz DAERQODRIWURSF-LSDHHAIUSA-N 2 2 322.449 2.201 10 0 DEAELP CCC(CC)NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000121365504 402031775 /nfs/dbraw/zinc/03/17/75/402031775.db2.gz QTGWDMBMXVRLOE-SJPCQFCGSA-N 2 2 322.497 2.127 10 0 DEAELP CCC(CC)NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000121365504 402031777 /nfs/dbraw/zinc/03/17/77/402031777.db2.gz QTGWDMBMXVRLOE-SJPCQFCGSA-N 2 2 322.497 2.127 10 0 DEAELP C[NH+](C)C[C@@H](NC(=O)Cc1cn2ccccc2[nH+]1)c1ccccc1 ZINC000122625466 402088028 /nfs/dbraw/zinc/08/80/28/402088028.db2.gz WSIPOYSKZCJWSJ-QGZVFWFLSA-N 2 2 322.412 2.296 10 0 DEAELP C[C@@H]1C[C@H]([NH+](C)CCCN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)CC[NH+]1C ZINC000123141918 402112654 /nfs/dbraw/zinc/11/26/54/402112654.db2.gz HPPJETFXQSHNBX-NCXUSEDFSA-N 3 2 324.557 2.206 10 0 DEAELP C[C@@H]1C[C@H]([NH+](C)CCCN(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC[NH+]1C ZINC000123141918 402112657 /nfs/dbraw/zinc/11/26/57/402112657.db2.gz HPPJETFXQSHNBX-NCXUSEDFSA-N 3 2 324.557 2.206 10 0 DEAELP C[C@@H]1C[C@H](N(C)CCC[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)CC[NH+]1C ZINC000123141918 402112659 /nfs/dbraw/zinc/11/26/59/402112659.db2.gz HPPJETFXQSHNBX-NCXUSEDFSA-N 3 2 324.557 2.206 10 0 DEAELP C[C@@H]1C[C@H](N(C)CCC[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)CC[NH+]1C ZINC000123141918 402112663 /nfs/dbraw/zinc/11/26/63/402112663.db2.gz HPPJETFXQSHNBX-NCXUSEDFSA-N 3 2 324.557 2.206 10 0 DEAELP COc1ccccc1NC(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123285991 402119673 /nfs/dbraw/zinc/11/96/73/402119673.db2.gz WAICJHOTXARACC-KGLIPLIRSA-N 2 2 305.422 2.048 10 0 DEAELP COc1ccccc1NC(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123285991 402119676 /nfs/dbraw/zinc/11/96/76/402119676.db2.gz WAICJHOTXARACC-KGLIPLIRSA-N 2 2 305.422 2.048 10 0 DEAELP COc1ccccc1NC(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123285991 402119679 /nfs/dbraw/zinc/11/96/79/402119679.db2.gz WAICJHOTXARACC-KGLIPLIRSA-N 2 2 305.422 2.048 10 0 DEAELP COc1ccccc1NC(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123285991 402119682 /nfs/dbraw/zinc/11/96/82/402119682.db2.gz WAICJHOTXARACC-KGLIPLIRSA-N 2 2 305.422 2.048 10 0 DEAELP C[C@@H]1C[C@H]([NH+](C)CC(=O)N2CCc3sccc3C2)CC[N@@H+]1C ZINC000123462664 402129280 /nfs/dbraw/zinc/12/92/80/402129280.db2.gz NUWCQTXDVOODJZ-UKRRQHHQSA-N 2 2 321.490 2.047 10 0 DEAELP C[C@@H]1C[C@H]([NH+](C)CC(=O)N2CCc3sccc3C2)CC[N@H+]1C ZINC000123462664 402129282 /nfs/dbraw/zinc/12/92/82/402129282.db2.gz NUWCQTXDVOODJZ-UKRRQHHQSA-N 2 2 321.490 2.047 10 0 DEAELP C[C@@H]1C[C@H]([N@H+](C)CC(=O)N2CCc3sccc3C2)CC[NH+]1C ZINC000123462664 402129285 /nfs/dbraw/zinc/12/92/85/402129285.db2.gz NUWCQTXDVOODJZ-UKRRQHHQSA-N 2 2 321.490 2.047 10 0 DEAELP C[C@@H]1C[C@H]([N@@H+](C)CC(=O)N2CCc3sccc3C2)CC[NH+]1C ZINC000123462664 402129286 /nfs/dbraw/zinc/12/92/86/402129286.db2.gz NUWCQTXDVOODJZ-UKRRQHHQSA-N 2 2 321.490 2.047 10 0 DEAELP COc1cccc(NC(=O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000123557367 402134505 /nfs/dbraw/zinc/13/45/05/402134505.db2.gz PCVVHGRYOFMEOJ-DZGCQCFKSA-N 2 2 305.422 2.048 10 0 DEAELP COc1cccc(NC(=O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000123557367 402134507 /nfs/dbraw/zinc/13/45/07/402134507.db2.gz PCVVHGRYOFMEOJ-DZGCQCFKSA-N 2 2 305.422 2.048 10 0 DEAELP COc1cccc(NC(=O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000123557367 402134509 /nfs/dbraw/zinc/13/45/09/402134509.db2.gz PCVVHGRYOFMEOJ-DZGCQCFKSA-N 2 2 305.422 2.048 10 0 DEAELP COc1cccc(NC(=O)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000123557367 402134511 /nfs/dbraw/zinc/13/45/11/402134511.db2.gz PCVVHGRYOFMEOJ-DZGCQCFKSA-N 2 2 305.422 2.048 10 0 DEAELP CC[NH+](CC)[C@@H](C[NH2+]C1CCN(C(N)=O)CC1)c1ccccc1 ZINC000123709928 402142714 /nfs/dbraw/zinc/14/27/14/402142714.db2.gz PSHLGZAKWLVOBZ-KRWDZBQOSA-N 2 2 318.465 2.202 10 0 DEAELP C[C@H]1C[N@@H+](C2CC[NH+](CCCCCn3cccn3)CC2)CCO1 ZINC000104947554 402205750 /nfs/dbraw/zinc/20/57/50/402205750.db2.gz XRMJNDVUORWKFB-KRWDZBQOSA-N 2 2 320.481 2.239 10 0 DEAELP C[C@H]1C[N@H+](C2CC[NH+](CCCCCn3cccn3)CC2)CCO1 ZINC000104947554 402205752 /nfs/dbraw/zinc/20/57/52/402205752.db2.gz XRMJNDVUORWKFB-KRWDZBQOSA-N 2 2 320.481 2.239 10 0 DEAELP CC(C)C[C@H](C)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000185544421 402360237 /nfs/dbraw/zinc/36/02/37/402360237.db2.gz NOBDLZMABKDDOS-XNHLSEOASA-N 2 2 321.509 2.438 10 0 DEAELP CC(C)C[C@H](C)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000185544421 402360239 /nfs/dbraw/zinc/36/02/39/402360239.db2.gz NOBDLZMABKDDOS-XNHLSEOASA-N 2 2 321.509 2.438 10 0 DEAELP C[C@@H](c1ccccn1)[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000177151190 402375734 /nfs/dbraw/zinc/37/57/34/402375734.db2.gz RYOZZXYBFHETRT-IRXDYDNUSA-N 2 2 302.466 2.245 10 0 DEAELP C[C@@H](c1ccccn1)[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000177151190 402375737 /nfs/dbraw/zinc/37/57/37/402375737.db2.gz RYOZZXYBFHETRT-IRXDYDNUSA-N 2 2 302.466 2.245 10 0 DEAELP C[C@H](c1ccccn1)[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000177151237 402375942 /nfs/dbraw/zinc/37/59/42/402375942.db2.gz RYOZZXYBFHETRT-IAGOWNOFSA-N 2 2 302.466 2.245 10 0 DEAELP C[C@H](c1ccccn1)[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000177151237 402375945 /nfs/dbraw/zinc/37/59/45/402375945.db2.gz RYOZZXYBFHETRT-IAGOWNOFSA-N 2 2 302.466 2.245 10 0 DEAELP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)Cc1cn2ccccc2[nH+]1 ZINC000177178290 402378371 /nfs/dbraw/zinc/37/83/71/402378371.db2.gz UHYNYLDIBZUOCT-INIZCTEOSA-N 2 2 323.400 2.073 10 0 DEAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000163440059 402449826 /nfs/dbraw/zinc/44/98/26/402449826.db2.gz JNFFOEVKVIXLJD-DZGCQCFKSA-N 2 2 306.406 2.177 10 0 DEAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000163440059 402449828 /nfs/dbraw/zinc/44/98/28/402449828.db2.gz JNFFOEVKVIXLJD-DZGCQCFKSA-N 2 2 306.406 2.177 10 0 DEAELP C[C@H](C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)[NH+]1CCCCCC1 ZINC000177774982 402434885 /nfs/dbraw/zinc/43/48/85/402434885.db2.gz PKJXOAYEXUPHLF-HZPDHXFCSA-N 2 2 304.438 2.139 10 0 DEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NCc2ccccc2F)[C@@H](C)C1 ZINC000245431072 402460425 /nfs/dbraw/zinc/46/04/25/402460425.db2.gz NWTUEODVQXLOIN-YOEHRIQHSA-N 2 2 321.440 2.104 10 0 DEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NCc2ccccc2F)[C@@H](C)C1 ZINC000245431072 402460427 /nfs/dbraw/zinc/46/04/27/402460427.db2.gz NWTUEODVQXLOIN-YOEHRIQHSA-N 2 2 321.440 2.104 10 0 DEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NCc2ccccc2F)[C@@H](C)C1 ZINC000245431072 402460430 /nfs/dbraw/zinc/46/04/30/402460430.db2.gz NWTUEODVQXLOIN-YOEHRIQHSA-N 2 2 321.440 2.104 10 0 DEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NCc2ccccc2F)[C@@H](C)C1 ZINC000245431072 402460432 /nfs/dbraw/zinc/46/04/32/402460432.db2.gz NWTUEODVQXLOIN-YOEHRIQHSA-N 2 2 321.440 2.104 10 0 DEAELP Cc1cc(N2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)n[nH]1 ZINC000187272952 402490933 /nfs/dbraw/zinc/49/09/33/402490933.db2.gz DTOLNZDVCLGZTM-UHFFFAOYSA-N 2 2 322.416 2.226 10 0 DEAELP C[C@@H]1CCCN(c2cc(N3CCC[N@@H+](C4CC4)CC3)nc[nH+]2)C1 ZINC000171831402 402627112 /nfs/dbraw/zinc/62/71/12/402627112.db2.gz DUXZTGGONKRTAU-OAHLLOKOSA-N 2 2 315.465 2.387 10 0 DEAELP C[C@@H]1CCCN(c2cc(N3CCC[N@H+](C4CC4)CC3)nc[nH+]2)C1 ZINC000171831402 402627114 /nfs/dbraw/zinc/62/71/14/402627114.db2.gz DUXZTGGONKRTAU-OAHLLOKOSA-N 2 2 315.465 2.387 10 0 DEAELP C[C@H](c1cnccn1)[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248662299 402602474 /nfs/dbraw/zinc/60/24/74/402602474.db2.gz YHIWDYRYLWGDOZ-WBVHZDCISA-N 2 2 311.433 2.387 10 0 DEAELP C[C@H](c1cnccn1)[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248662299 402602476 /nfs/dbraw/zinc/60/24/76/402602476.db2.gz YHIWDYRYLWGDOZ-WBVHZDCISA-N 2 2 311.433 2.387 10 0 DEAELP C[C@H](c1cnccn1)[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248662299 402602479 /nfs/dbraw/zinc/60/24/79/402602479.db2.gz YHIWDYRYLWGDOZ-WBVHZDCISA-N 2 2 311.433 2.387 10 0 DEAELP C[C@H](c1cnccn1)[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000248662299 402602481 /nfs/dbraw/zinc/60/24/81/402602481.db2.gz YHIWDYRYLWGDOZ-WBVHZDCISA-N 2 2 311.433 2.387 10 0 DEAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(Cc2c[nH+]cn2C)C1 ZINC000190470183 402603439 /nfs/dbraw/zinc/60/34/39/402603439.db2.gz JNQOIGMOXYCQEW-AWEZNQCLSA-N 2 2 319.478 2.139 10 0 DEAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(Cc2c[nH+]cn2C)C1 ZINC000190470183 402603442 /nfs/dbraw/zinc/60/34/42/402603442.db2.gz JNQOIGMOXYCQEW-AWEZNQCLSA-N 2 2 319.478 2.139 10 0 DEAELP Cc1nc(C)c(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)s1 ZINC000172797181 402676130 /nfs/dbraw/zinc/67/61/30/402676130.db2.gz IZKWCWOVUJQQNW-INIZCTEOSA-N 2 2 322.522 2.362 10 0 DEAELP Cc1nc(C)c(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)s1 ZINC000172797181 402676131 /nfs/dbraw/zinc/67/61/31/402676131.db2.gz IZKWCWOVUJQQNW-INIZCTEOSA-N 2 2 322.522 2.362 10 0 DEAELP C[C@H]1C[C@H]([NH+](C)Cc2cc(=O)oc3cc(O)ccc23)CC[N@@H+]1C ZINC000182396915 402686676 /nfs/dbraw/zinc/68/66/76/402686676.db2.gz XLXWPRMSTACNLM-GXTWGEPZSA-N 2 2 316.401 2.413 10 0 DEAELP C[C@H]1C[C@H]([NH+](C)Cc2cc(=O)oc3cc(O)ccc23)CC[N@H+]1C ZINC000182396915 402686677 /nfs/dbraw/zinc/68/66/77/402686677.db2.gz XLXWPRMSTACNLM-GXTWGEPZSA-N 2 2 316.401 2.413 10 0 DEAELP C[C@H]1C[C@H]([N@H+](C)Cc2cc(=O)oc3cc(O)ccc23)CC[NH+]1C ZINC000182396915 402686681 /nfs/dbraw/zinc/68/66/81/402686681.db2.gz XLXWPRMSTACNLM-GXTWGEPZSA-N 2 2 316.401 2.413 10 0 DEAELP C[C@H]1C[C@H]([N@@H+](C)Cc2cc(=O)oc3cc(O)ccc23)CC[NH+]1C ZINC000182396915 402686684 /nfs/dbraw/zinc/68/66/84/402686684.db2.gz XLXWPRMSTACNLM-GXTWGEPZSA-N 2 2 316.401 2.413 10 0 DEAELP CC[NH+](CC)[C@@H]1CCN(C(=O)NCc2[nH+]ccn2CC(C)C)C1 ZINC000173458046 402698443 /nfs/dbraw/zinc/69/84/43/402698443.db2.gz UGUINCVTHCPSSK-OAHLLOKOSA-N 2 2 321.469 2.165 10 0 DEAELP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263304275 402756208 /nfs/dbraw/zinc/75/62/08/402756208.db2.gz XOWDTJPYYSUREB-CHWSQXEVSA-N 2 2 317.424 2.000 10 0 DEAELP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263304275 402756211 /nfs/dbraw/zinc/75/62/11/402756211.db2.gz XOWDTJPYYSUREB-CHWSQXEVSA-N 2 2 317.424 2.000 10 0 DEAELP C[N@H+](C[C@]1(C)CC[NH2+]C1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000262057762 402722188 /nfs/dbraw/zinc/72/21/88/402722188.db2.gz QUKJRIYUURSDOK-DOTOQJQBSA-N 2 2 321.852 2.377 10 0 DEAELP C[N@@H+](C[C@]1(C)CC[NH2+]C1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000262057762 402722190 /nfs/dbraw/zinc/72/21/90/402722190.db2.gz QUKJRIYUURSDOK-DOTOQJQBSA-N 2 2 321.852 2.377 10 0 DEAELP CC(C)Cn1cc[nH+]c1CNC(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000175477613 402810208 /nfs/dbraw/zinc/81/02/08/402810208.db2.gz UEXPJVUMXGSFIZ-OAHLLOKOSA-N 2 2 321.469 2.070 10 0 DEAELP CC(C)Cn1cc[nH+]c1CNC(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000175477613 402810209 /nfs/dbraw/zinc/81/02/09/402810209.db2.gz UEXPJVUMXGSFIZ-OAHLLOKOSA-N 2 2 321.469 2.070 10 0 DEAELP CCC[C@@H](O)C[N@@H+]1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000295948822 404024459 /nfs/dbraw/zinc/02/44/59/404024459.db2.gz LQDKVSRUVDVUGG-HZPDHXFCSA-N 2 2 319.449 2.296 10 0 DEAELP CCC[C@@H](O)C[N@H+]1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000295948822 404024464 /nfs/dbraw/zinc/02/44/64/404024464.db2.gz LQDKVSRUVDVUGG-HZPDHXFCSA-N 2 2 319.449 2.296 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCC(C)(C)[NH+](C)C)C2 ZINC000370153385 404351646 /nfs/dbraw/zinc/35/16/46/404351646.db2.gz YTYJDBUGXYEMON-LBPRGKRZSA-N 2 2 306.454 2.094 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCC(C)(C)[NH+](C)C)CC2 ZINC000370153385 404351653 /nfs/dbraw/zinc/35/16/53/404351653.db2.gz YTYJDBUGXYEMON-LBPRGKRZSA-N 2 2 306.454 2.094 10 0 DEAELP Cc1nc([C@H](C)[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)no1 ZINC000330251723 404601241 /nfs/dbraw/zinc/60/12/41/404601241.db2.gz NRIGRMXAVJHSJA-MCIONIFRSA-N 2 2 322.453 2.260 10 0 DEAELP CCCCOC[C@H](O)C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000389840641 405039646 /nfs/dbraw/zinc/03/96/46/405039646.db2.gz NIBKOUGFMULDDD-QXAKKESOSA-N 2 2 320.477 2.274 10 0 DEAELP CCCCOC[C@H](O)C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000389840641 405039651 /nfs/dbraw/zinc/03/96/51/405039651.db2.gz NIBKOUGFMULDDD-QXAKKESOSA-N 2 2 320.477 2.274 10 0 DEAELP C[C@H](C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)S(C)(=O)=O ZINC000450352797 405851463 /nfs/dbraw/zinc/85/14/63/405851463.db2.gz ZSXNAZYTZNXMPW-CVEARBPZSA-N 2 2 316.511 2.008 10 0 DEAELP C[C@H](C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)S(C)(=O)=O ZINC000450352797 405851468 /nfs/dbraw/zinc/85/14/68/405851468.db2.gz ZSXNAZYTZNXMPW-CVEARBPZSA-N 2 2 316.511 2.008 10 0 DEAELP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH+]3C[C@@H]4C[C@H]3CS4)C2)cc1 ZINC000459784543 406045991 /nfs/dbraw/zinc/04/59/91/406045991.db2.gz AEUDCQMPYYSGEX-KSZLIROESA-N 2 2 318.486 2.467 10 0 DEAELP c1ccc(C[N@H+]2CCCO[C@@H](C[NH+]3C[C@@H]4C[C@H]3CS4)C2)cc1 ZINC000459784543 406045998 /nfs/dbraw/zinc/04/59/98/406045998.db2.gz AEUDCQMPYYSGEX-KSZLIROESA-N 2 2 318.486 2.467 10 0 DEAELP c1ccc(C[NH+]2CCCO[C@@H](C[N@@H+]3C[C@@H]4C[C@H]3CS4)C2)cc1 ZINC000459784543 406046003 /nfs/dbraw/zinc/04/60/03/406046003.db2.gz AEUDCQMPYYSGEX-KSZLIROESA-N 2 2 318.486 2.467 10 0 DEAELP c1ccc(C[NH+]2CCCO[C@@H](C[N@H+]3C[C@@H]4C[C@H]3CS4)C2)cc1 ZINC000459784543 406046006 /nfs/dbraw/zinc/04/60/06/406046006.db2.gz AEUDCQMPYYSGEX-KSZLIROESA-N 2 2 318.486 2.467 10 0 DEAELP COC(=O)[C@H]1C[C@@H](c2ccccc2)C[N@H+](CCn2cc[nH+]c2)C1 ZINC000132759786 196281780 /nfs/dbraw/zinc/28/17/80/196281780.db2.gz ZHMFCFYZPFOLMN-SJORKVTESA-N 2 2 313.401 2.162 10 0 DEAELP COC(=O)[C@H]1C[C@@H](c2ccccc2)C[N@@H+](CCn2cc[nH+]c2)C1 ZINC000132759786 196281782 /nfs/dbraw/zinc/28/17/82/196281782.db2.gz ZHMFCFYZPFOLMN-SJORKVTESA-N 2 2 313.401 2.162 10 0 DEAELP CCCn1c(C)nnc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000154045765 424859949 /nfs/dbraw/zinc/85/99/49/424859949.db2.gz IIULVLDBEXTLIY-UHFFFAOYSA-N 2 2 305.470 2.304 10 0 DEAELP O=C1C[C@H]([NH2+]C[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CCCN1 ZINC000379637640 424907712 /nfs/dbraw/zinc/90/77/12/424907712.db2.gz SVSPGPDJFZHQLJ-MSOLQXFVSA-N 2 2 315.461 2.299 10 0 DEAELP O=C1C[C@H]([NH2+]C[C@@H]2CCCC[N@H+]2Cc2ccccc2)CCCN1 ZINC000379637640 424907713 /nfs/dbraw/zinc/90/77/13/424907713.db2.gz SVSPGPDJFZHQLJ-MSOLQXFVSA-N 2 2 315.461 2.299 10 0 DEAELP CC[N@@H+]1CCCC[C@H]1CNC(=O)NCc1[nH+]ccn1CC(C)C ZINC000176625065 267541335 /nfs/dbraw/zinc/54/13/35/267541335.db2.gz AZHNEJURRXVPPH-HNNXBMFYSA-N 2 2 321.469 2.213 10 0 DEAELP CC[N@H+]1CCCC[C@H]1CNC(=O)NCc1[nH+]ccn1CC(C)C ZINC000176625065 267541337 /nfs/dbraw/zinc/54/13/37/267541337.db2.gz AZHNEJURRXVPPH-HNNXBMFYSA-N 2 2 321.469 2.213 10 0 DEAELP O[C@H](C[NH+]1CCC(Nc2cccc[nH+]2)CC1)CC(F)(F)F ZINC000526057021 269502148 /nfs/dbraw/zinc/50/21/48/269502148.db2.gz WMZFXXZKQSTCOO-LBPRGKRZSA-N 2 2 303.328 2.271 10 0 DEAELP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1ccc2c(c1)sc(=O)n2C ZINC000262012370 274239077 /nfs/dbraw/zinc/23/90/77/274239077.db2.gz MJRWKRYCOGVLCE-YPMHNXCESA-N 2 2 305.447 2.302 10 0 DEAELP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1ccc2c(c1)sc(=O)n2C ZINC000262012370 274239078 /nfs/dbraw/zinc/23/90/78/274239078.db2.gz MJRWKRYCOGVLCE-YPMHNXCESA-N 2 2 305.447 2.302 10 0 DEAELP C[C@H](C(=O)N1CCCCCC1)[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000051952316 279190858 /nfs/dbraw/zinc/19/08/58/279190858.db2.gz DMVDJRMSWDXUPL-MRXNPFEDSA-N 2 2 307.482 2.338 10 0 DEAELP C[C@@H]1CCCN(c2cc(NC[C@@H]3CCC[N@H+](C)C3)nc[nH+]2)C1 ZINC000302004843 533702799 /nfs/dbraw/zinc/70/27/99/533702799.db2.gz ZNSPPTLSUMRVSV-CABCVRRESA-N 2 2 303.454 2.467 10 0 DEAELP C[C@@H]1CCCN(c2cc(NC[C@@H]3CCC[N@@H+](C)C3)nc[nH+]2)C1 ZINC000302004843 533702806 /nfs/dbraw/zinc/70/28/06/533702806.db2.gz ZNSPPTLSUMRVSV-CABCVRRESA-N 2 2 303.454 2.467 10 0 DEAELP C[C@@H]1CCCN(c2cc(NC[C@@H]3CCC[N@H+](C)C3)[nH+]cn2)C1 ZINC000302004843 533702810 /nfs/dbraw/zinc/70/28/10/533702810.db2.gz ZNSPPTLSUMRVSV-CABCVRRESA-N 2 2 303.454 2.467 10 0 DEAELP C[C@@H]1CCCN(c2cc(NC[C@@H]3CCC[N@@H+](C)C3)[nH+]cn2)C1 ZINC000302004843 533702817 /nfs/dbraw/zinc/70/28/17/533702817.db2.gz ZNSPPTLSUMRVSV-CABCVRRESA-N 2 2 303.454 2.467 10 0 DEAELP C[C@@H](c1ccccn1)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000157653654 526115985 /nfs/dbraw/zinc/11/59/85/526115985.db2.gz QFRGURQWOBMDCB-XNHLSEOASA-N 2 2 314.477 2.385 10 0 DEAELP C[C@@H](c1ccccn1)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000157653654 526115993 /nfs/dbraw/zinc/11/59/93/526115993.db2.gz QFRGURQWOBMDCB-XNHLSEOASA-N 2 2 314.477 2.385 10 0 DEAELP [NH3+][C@H]1CCC[C@@H](C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000238017362 527402357 /nfs/dbraw/zinc/40/23/57/527402357.db2.gz KJQQSJCXPHNQAR-SJORKVTESA-N 2 2 312.417 2.065 10 0 DEAELP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]C[C@H]1COCCO1 ZINC000450750698 534985760 /nfs/dbraw/zinc/98/57/60/534985760.db2.gz BRXGNDXCAOUBBF-ROUUACIJSA-N 2 2 306.450 2.148 10 0 DEAELP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C[C@H]1COCCO1 ZINC000450750698 534985766 /nfs/dbraw/zinc/98/57/66/534985766.db2.gz BRXGNDXCAOUBBF-ROUUACIJSA-N 2 2 306.450 2.148 10 0 DEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@@H](O)COC(C)(C)C)C1 ZINC000247062286 536174826 /nfs/dbraw/zinc/17/48/26/536174826.db2.gz GAMGQJJCPOMWPN-HUUCEWRRSA-N 2 2 309.454 2.258 10 0 DEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@@H](O)COC(C)(C)C)C1 ZINC000247062286 536174829 /nfs/dbraw/zinc/17/48/29/536174829.db2.gz GAMGQJJCPOMWPN-HUUCEWRRSA-N 2 2 309.454 2.258 10 0 DEAELP CCOC(=O)[C@H](F)[C@@H](C)[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000134747507 684229641 /nfs/dbraw/zinc/22/96/41/684229641.db2.gz WNNZOVQBUXHFHT-IAQYHMDHSA-N 2 2 314.376 2.267 10 0 DEAELP C[N@@H+](Cc1ccc(N)nn1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000703917448 1086567380 /nfs/dbraw/zinc/56/73/80/1086567380.db2.gz SJLJJHNTSAYVAI-INIZCTEOSA-N 2 2 311.433 2.013 10 0 DEAELP C[N@H+](Cc1ccc(N)nn1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000703917448 1086567386 /nfs/dbraw/zinc/56/73/86/1086567386.db2.gz SJLJJHNTSAYVAI-INIZCTEOSA-N 2 2 311.433 2.013 10 0 DEAELP C[NH+](Cc1ccc(N)nn1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000703917448 1086567394 /nfs/dbraw/zinc/56/73/94/1086567394.db2.gz SJLJJHNTSAYVAI-INIZCTEOSA-N 2 2 311.433 2.013 10 0 DEAELP C[NH+](Cc1ccc(N)nn1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000703917448 1086567400 /nfs/dbraw/zinc/56/74/00/1086567400.db2.gz SJLJJHNTSAYVAI-INIZCTEOSA-N 2 2 311.433 2.013 10 0 DEAELP Cn1ncc(Br)c1C[N@H+](C)CCCCCC[NH3+] ZINC000710723731 1086688359 /nfs/dbraw/zinc/68/83/59/1086688359.db2.gz GXOMKYIUMUJAMI-UHFFFAOYSA-N 2 2 303.248 2.134 10 0 DEAELP Cn1ncc(Br)c1C[N@@H+](C)CCCCCC[NH3+] ZINC000710723731 1086688362 /nfs/dbraw/zinc/68/83/62/1086688362.db2.gz GXOMKYIUMUJAMI-UHFFFAOYSA-N 2 2 303.248 2.134 10 0 DEAELP [NH3+]C[C@H]([NH2+]C[C@@H]1CCCO1)c1ccc(F)c(Br)c1 ZINC000087928231 185237653 /nfs/dbraw/zinc/23/76/53/185237653.db2.gz IMCXOBCUIMZHEA-GWCFXTLKSA-N 2 2 317.202 2.357 10 0 DEAELP C[C@H](C(=O)Nc1cccc(C[NH3+])c1)[N@H+](C)CCC(F)(F)F ZINC000088417592 185249293 /nfs/dbraw/zinc/24/92/93/185249293.db2.gz OFBQICWUAFKJNM-SNVBAGLBSA-N 2 2 303.328 2.357 10 0 DEAELP C[C@H](C(=O)Nc1cccc(C[NH3+])c1)[N@@H+](C)CCC(F)(F)F ZINC000088417592 185249294 /nfs/dbraw/zinc/24/92/94/185249294.db2.gz OFBQICWUAFKJNM-SNVBAGLBSA-N 2 2 303.328 2.357 10 0 DEAELP CC1(C)[C@H]2C[NH2+]C[C@H]2C[N@@H+]1Cc1cn2cc(Cl)ccc2n1 ZINC000090337655 185291772 /nfs/dbraw/zinc/29/17/72/185291772.db2.gz HVXQVGLXFQKRIY-FZMZJTMJSA-N 2 2 304.825 2.418 10 0 DEAELP CC1(C)[C@H]2C[NH2+]C[C@H]2C[N@H+]1Cc1cn2cc(Cl)ccc2n1 ZINC000090337655 185291773 /nfs/dbraw/zinc/29/17/73/185291773.db2.gz HVXQVGLXFQKRIY-FZMZJTMJSA-N 2 2 304.825 2.418 10 0 DEAELP Cc1cc(C)n2c(C[N@@H+]3CCC[C@@H]3Cn3cc[nH+]c3)cnc2n1 ZINC000097103947 539435344 /nfs/dbraw/zinc/43/53/44/539435344.db2.gz VTDFSMPZYMXOGE-OAHLLOKOSA-N 2 2 310.405 2.207 10 0 DEAELP Cc1cc(C)n2c(C[N@H+]3CCC[C@@H]3Cn3cc[nH+]c3)cnc2n1 ZINC000097103947 539435348 /nfs/dbraw/zinc/43/53/48/539435348.db2.gz VTDFSMPZYMXOGE-OAHLLOKOSA-N 2 2 310.405 2.207 10 0 DEAELP O[C@H](C[NH2+][C@@H]1CCCOc2cc(F)ccc21)C[NH+]1CCCCC1 ZINC000181987861 199371402 /nfs/dbraw/zinc/37/14/02/199371402.db2.gz AYQGSKTXQKISEQ-NVXWUHKLSA-N 2 2 322.424 2.476 10 0 DEAELP CC(C)(C)OC(=O)NCC[N@@H+]1CCCC[C@@H](n2cc[nH+]c2)C1 ZINC000616631197 362900681 /nfs/dbraw/zinc/90/06/81/362900681.db2.gz YSLRIODBVVMFON-CQSZACIVSA-N 2 2 308.426 2.435 10 0 DEAELP CC(C)(C)OC(=O)NCC[N@H+]1CCCC[C@@H](n2cc[nH+]c2)C1 ZINC000616631197 362900683 /nfs/dbraw/zinc/90/06/83/362900683.db2.gz YSLRIODBVVMFON-CQSZACIVSA-N 2 2 308.426 2.435 10 0 DEAELP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(C)c(F)c2)CC1 ZINC000181347070 539651265 /nfs/dbraw/zinc/65/12/65/539651265.db2.gz OMLQWGLJYLYHIN-LSDHHAIUSA-N 2 2 321.440 2.337 10 0 DEAELP CCC[C@H](C(=O)NCc1ccccc1-n1cc[nH+]c1)[NH+](C)C ZINC000138492945 186017206 /nfs/dbraw/zinc/01/72/06/186017206.db2.gz NREUIOZBGBBKOS-MRXNPFEDSA-N 2 2 300.406 2.219 10 0 DEAELP CC[NH2+][C@H](Cc1[nH+]ccn1C)c1ncccc1Br ZINC000140495606 186026754 /nfs/dbraw/zinc/02/67/54/186026754.db2.gz UCKMYXXNEIRBSB-LLVKDONJSA-N 2 2 309.211 2.471 10 0 DEAELP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH2+][C@H]3CCCOC3)C2)cc1 ZINC000248741419 539775583 /nfs/dbraw/zinc/77/55/83/539775583.db2.gz DNEOCZZVLJFULS-ROUUACIJSA-N 2 2 304.434 2.046 10 0 DEAELP c1ccc(C[N@H+]2CCCO[C@@H](C[NH2+][C@H]3CCCOC3)C2)cc1 ZINC000248741419 539775589 /nfs/dbraw/zinc/77/55/89/539775589.db2.gz DNEOCZZVLJFULS-ROUUACIJSA-N 2 2 304.434 2.046 10 0 DEAELP CCC[C@H](C(=O)NC1CCN(c2ccc(C)c[nH+]2)CC1)[NH+](C)C ZINC000164039653 186146363 /nfs/dbraw/zinc/14/63/63/186146363.db2.gz QOWRXNULIBGUMB-MRXNPFEDSA-N 2 2 318.465 2.205 10 0 DEAELP Cc1cc(NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)nc(C)[nH+]1 ZINC000284878728 539823772 /nfs/dbraw/zinc/82/37/72/539823772.db2.gz NEOMKAZQJCFEBI-WMLDXEAASA-N 2 2 314.437 2.322 10 0 DEAELP Cc1cc(NC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)nc(C)[nH+]1 ZINC000284878728 539823778 /nfs/dbraw/zinc/82/37/78/539823778.db2.gz NEOMKAZQJCFEBI-WMLDXEAASA-N 2 2 314.437 2.322 10 0 DEAELP C[C@@H]1C[C@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC[N@@H+]1C ZINC000172620607 198126996 /nfs/dbraw/zinc/12/69/96/198126996.db2.gz MJJDQNWHASYQOS-RHSMWYFYSA-N 2 2 312.417 2.427 10 0 DEAELP C[C@@H]1C[C@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC[N@H+]1C ZINC000172620607 198126998 /nfs/dbraw/zinc/12/69/98/198126998.db2.gz MJJDQNWHASYQOS-RHSMWYFYSA-N 2 2 312.417 2.427 10 0 DEAELP [NH3+]C[C@H]1CCCN1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000333198943 539951044 /nfs/dbraw/zinc/95/10/44/539951044.db2.gz WZRNMVSSQBKYHQ-CYBMUJFWSA-N 2 2 323.466 2.084 10 0 DEAELP C[C@@H]([NH2+]CCc1cn(C)c[nH+]1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400796210 283158455 /nfs/dbraw/zinc/15/84/55/283158455.db2.gz SWMJRLLBHYGGRD-ZIAGYGMSSA-N 2 2 322.453 2.198 10 0 DEAELP C[C@H]([NH2+][C@H]1CC[N@@H+](C2CC2)C1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400394477 283156595 /nfs/dbraw/zinc/15/65/95/283156595.db2.gz JBZZOUQNXOVYLT-KKUMJFAQSA-N 2 2 323.481 2.458 10 0 DEAELP C[C@H]([NH2+][C@H]1CC[N@H+](C2CC2)C1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400394477 283156599 /nfs/dbraw/zinc/15/65/99/283156599.db2.gz JBZZOUQNXOVYLT-KKUMJFAQSA-N 2 2 323.481 2.458 10 0 DEAELP CN(C)c1ccc(N[C@@H]2CCC[N@H+](Cc3cc[nH]n3)CC2)c[nH+]1 ZINC000328654464 356466485 /nfs/dbraw/zinc/46/64/85/356466485.db2.gz XLZMTMFYXGKALT-CQSZACIVSA-N 2 2 314.437 2.337 10 0 DEAELP CN(C)c1ccc(N[C@@H]2CCC[N@@H+](Cc3cc[nH]n3)CC2)c[nH+]1 ZINC000328654464 356466490 /nfs/dbraw/zinc/46/64/90/356466490.db2.gz XLZMTMFYXGKALT-CQSZACIVSA-N 2 2 314.437 2.337 10 0 DEAELP O=C(Nc1ccc2[nH+]ccn2c1)NC1CC[NH+](CC2CC2)CC1 ZINC000606584437 361024427 /nfs/dbraw/zinc/02/44/27/361024427.db2.gz UVYCLCCKRISIPE-UHFFFAOYSA-N 2 2 313.405 2.330 10 0 DEAELP CCC[N@H+](C)CC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000608207492 361183973 /nfs/dbraw/zinc/18/39/73/361183973.db2.gz HDJNRTOVJJOFLB-MRXNPFEDSA-N 2 2 314.433 2.162 10 0 DEAELP CCC[N@@H+](C)CC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000608207492 361183978 /nfs/dbraw/zinc/18/39/78/361183978.db2.gz HDJNRTOVJJOFLB-MRXNPFEDSA-N 2 2 314.433 2.162 10 0 DEAELP CC(C)(C)NC(=O)C[C@@H](C[NH3+])[N@H+](Cc1cccs1)C1CC1 ZINC000091321319 193039994 /nfs/dbraw/zinc/03/99/94/193039994.db2.gz BWGOZWZYPSZKNL-ZDUSSCGKSA-N 2 2 309.479 2.345 10 0 DEAELP CC(C)(C)NC(=O)C[C@@H](C[NH3+])[N@@H+](Cc1cccs1)C1CC1 ZINC000091321319 193039998 /nfs/dbraw/zinc/03/99/98/193039998.db2.gz BWGOZWZYPSZKNL-ZDUSSCGKSA-N 2 2 309.479 2.345 10 0 DEAELP CCC[NH2+][C@@H](CCCS(=O)(=O)CC)[C@@](C)(CC)[NH+](C)C ZINC000091571696 193074737 /nfs/dbraw/zinc/07/47/37/193074737.db2.gz VXKZPOJSVKBPMJ-LSDHHAIUSA-N 2 2 306.516 2.300 10 0 DEAELP CCC(CC)([C@@H](CCCS(=O)(=O)CC)[NH2+]C)[NH+]1CCCC1 ZINC000091635048 193082143 /nfs/dbraw/zinc/08/21/43/193082143.db2.gz RKSNSXLORNAUAM-OAHLLOKOSA-N 2 2 318.527 2.444 10 0 DEAELP CC(=O)N1CC[C@H]([NH2+][C@H]2CC[C@H](C)[NH2+]C2)c2ccccc2C1 ZINC000629543334 367242421 /nfs/dbraw/zinc/24/24/21/367242421.db2.gz YRZGSXWLWVUFJZ-OWQGQXMQSA-N 2 2 301.434 2.210 10 0 DEAELP C[NH2+]CCOCC[N@H+](C)Cc1ccc(F)cc1Br ZINC000629568928 367256948 /nfs/dbraw/zinc/25/69/48/367256948.db2.gz MUVHYONLYNBQDL-UHFFFAOYSA-N 2 2 319.218 2.256 10 0 DEAELP C[NH2+]CCOCC[N@@H+](C)Cc1ccc(F)cc1Br ZINC000629568928 367256957 /nfs/dbraw/zinc/25/69/57/367256957.db2.gz MUVHYONLYNBQDL-UHFFFAOYSA-N 2 2 319.218 2.256 10 0 DEAELP CNC(=O)[C@H]1CCC[N@@H+]1CC(C)(C)C[NH+](C)Cc1ccccc1 ZINC000092098889 193158603 /nfs/dbraw/zinc/15/86/03/193158603.db2.gz BCMTVNDFFLTNJZ-QGZVFWFLSA-N 2 2 317.477 2.355 10 0 DEAELP CNC(=O)[C@H]1CCC[N@H+]1CC(C)(C)C[NH+](C)Cc1ccccc1 ZINC000092098889 193158606 /nfs/dbraw/zinc/15/86/06/193158606.db2.gz BCMTVNDFFLTNJZ-QGZVFWFLSA-N 2 2 317.477 2.355 10 0 DEAELP CNC(=O)[C@H]1CCC[NH+]1CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000092098889 193158608 /nfs/dbraw/zinc/15/86/08/193158608.db2.gz BCMTVNDFFLTNJZ-QGZVFWFLSA-N 2 2 317.477 2.355 10 0 DEAELP CNC(=O)[C@H]1CCC[NH+]1CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000092098889 193158609 /nfs/dbraw/zinc/15/86/09/193158609.db2.gz BCMTVNDFFLTNJZ-QGZVFWFLSA-N 2 2 317.477 2.355 10 0 DEAELP CC(=O)c1ccc(NC(=O)CC[N@@H+]2CCCCC[C@H]([NH3+])C2)cc1 ZINC000631832953 368410441 /nfs/dbraw/zinc/41/04/41/368410441.db2.gz QAKSEYHKVMKIOV-INIZCTEOSA-N 2 2 317.433 2.421 10 0 DEAELP CC(=O)c1ccc(NC(=O)CC[N@H+]2CCCCC[C@H]([NH3+])C2)cc1 ZINC000631832953 368410443 /nfs/dbraw/zinc/41/04/43/368410443.db2.gz QAKSEYHKVMKIOV-INIZCTEOSA-N 2 2 317.433 2.421 10 0 DEAELP CC(=O)c1ccccc1OCC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631885959 368441328 /nfs/dbraw/zinc/44/13/28/368441328.db2.gz FNGPTPTWLUPKOV-DOTOQJQBSA-N 2 2 302.418 2.342 10 0 DEAELP CC(=O)c1ccccc1OCC[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631885959 368441331 /nfs/dbraw/zinc/44/13/31/368441331.db2.gz FNGPTPTWLUPKOV-DOTOQJQBSA-N 2 2 302.418 2.342 10 0 DEAELP C[C@H]1C[C@H]([NH+](C)Cc2ccccc2N2CCOCC2)CC[N@@H+]1C ZINC000093644806 193280758 /nfs/dbraw/zinc/28/07/58/193280758.db2.gz MPYZHOQSAUYFTH-FUHWJXTLSA-N 2 2 317.477 2.438 10 0 DEAELP C[C@H]1C[C@H]([NH+](C)Cc2ccccc2N2CCOCC2)CC[N@H+]1C ZINC000093644806 193280760 /nfs/dbraw/zinc/28/07/60/193280760.db2.gz MPYZHOQSAUYFTH-FUHWJXTLSA-N 2 2 317.477 2.438 10 0 DEAELP C[C@H]1C[C@H]([N@H+](C)Cc2ccccc2N2CCOCC2)CC[NH+]1C ZINC000093644806 193280761 /nfs/dbraw/zinc/28/07/61/193280761.db2.gz MPYZHOQSAUYFTH-FUHWJXTLSA-N 2 2 317.477 2.438 10 0 DEAELP C[C@H]1C[C@H]([N@@H+](C)Cc2ccccc2N2CCOCC2)CC[NH+]1C ZINC000093644806 193280763 /nfs/dbraw/zinc/28/07/63/193280763.db2.gz MPYZHOQSAUYFTH-FUHWJXTLSA-N 2 2 317.477 2.438 10 0 DEAELP C[C@@H]1C[C@@H]([NH+](C)Cc2ccccc2N2CCOCC2)CC[N@@H+]1C ZINC000093644807 193281842 /nfs/dbraw/zinc/28/18/42/193281842.db2.gz MPYZHOQSAUYFTH-AEFFLSMTSA-N 2 2 317.477 2.438 10 0 DEAELP C[C@@H]1C[C@@H]([NH+](C)Cc2ccccc2N2CCOCC2)CC[N@H+]1C ZINC000093644807 193281843 /nfs/dbraw/zinc/28/18/43/193281843.db2.gz MPYZHOQSAUYFTH-AEFFLSMTSA-N 2 2 317.477 2.438 10 0 DEAELP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccccc2N2CCOCC2)CC[NH+]1C ZINC000093644807 193281844 /nfs/dbraw/zinc/28/18/44/193281844.db2.gz MPYZHOQSAUYFTH-AEFFLSMTSA-N 2 2 317.477 2.438 10 0 DEAELP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccccc2N2CCOCC2)CC[NH+]1C ZINC000093644807 193281845 /nfs/dbraw/zinc/28/18/45/193281845.db2.gz MPYZHOQSAUYFTH-AEFFLSMTSA-N 2 2 317.477 2.438 10 0 DEAELP C[N@H+](CC(=O)Nc1ncc(Cl)cc1Cl)CC(C)(C)C[NH3+] ZINC000093873939 193322195 /nfs/dbraw/zinc/32/21/95/193322195.db2.gz QVNBJGZIBDVYCE-UHFFFAOYSA-N 2 2 319.236 2.244 10 0 DEAELP C[N@@H+](CC(=O)Nc1ncc(Cl)cc1Cl)CC(C)(C)C[NH3+] ZINC000093873939 193322197 /nfs/dbraw/zinc/32/21/97/193322197.db2.gz QVNBJGZIBDVYCE-UHFFFAOYSA-N 2 2 319.236 2.244 10 0 DEAELP CCC[NH2+][C@H](Cc1ccc(CC)s1)[C@H]1C[N@H+](C)CCN1C ZINC000093896114 193324897 /nfs/dbraw/zinc/32/48/97/193324897.db2.gz DDJGMPJQVUNXTQ-IAGOWNOFSA-N 2 2 309.523 2.467 10 0 DEAELP CCC[NH2+][C@H](Cc1ccc(CC)s1)[C@H]1C[N@@H+](C)CCN1C ZINC000093896114 193324899 /nfs/dbraw/zinc/32/48/99/193324899.db2.gz DDJGMPJQVUNXTQ-IAGOWNOFSA-N 2 2 309.523 2.467 10 0 DEAELP C[C@H]1SCCC[C@]1(C[NH3+])[NH+]1CCN(c2ccccc2)CC1 ZINC000094478702 193373106 /nfs/dbraw/zinc/37/31/06/193373106.db2.gz UBXRGRXQYZZDBZ-NVXWUHKLSA-N 2 2 305.491 2.422 10 0 DEAELP CCC[NH2+][C@@H](Cc1ccccc1Cl)[C@H]1C[NH+]2CCN1CC2 ZINC000094510758 193375766 /nfs/dbraw/zinc/37/57/66/193375766.db2.gz CIGLTSIMPSLQMV-DLBZAZTESA-N 2 2 307.869 2.251 10 0 DEAELP C[NH2+]CCC[NH2+]Cc1cc(Br)cc(OC)c1OC ZINC000020968301 182257105 /nfs/dbraw/zinc/25/71/05/182257105.db2.gz NYXJHJQTJAOFCP-UHFFFAOYSA-N 2 2 317.227 2.165 10 0 DEAELP COc1ccc(Br)cc1C[N@H+](C)C[C@@H](C)C(N)=[NH2+] ZINC000042459873 183272694 /nfs/dbraw/zinc/27/26/94/183272694.db2.gz ZHSSTFODHMBFRK-SECBINFHSA-N 2 2 314.227 2.462 10 0 DEAELP COc1ccc(Br)cc1C[N@@H+](C)C[C@@H](C)C(N)=[NH2+] ZINC000042459873 183272695 /nfs/dbraw/zinc/27/26/95/183272695.db2.gz ZHSSTFODHMBFRK-SECBINFHSA-N 2 2 314.227 2.462 10 0 DEAELP CC1(C)Cc2cc(C[NH2+]C[C@H](O)C[NH+]3CCCCC3)ccc2O1 ZINC000105422599 194102847 /nfs/dbraw/zinc/10/28/47/194102847.db2.gz HZJQPPYOVNNTJR-KRWDZBQOSA-N 2 2 318.461 2.337 10 0 DEAELP Cc1cc(C)c(C(N)=S)c(N2CC[C@H]([NH+]3CCCC3)C2)[nH+]1 ZINC000110278524 194319576 /nfs/dbraw/zinc/31/95/76/194319576.db2.gz NEPCCRFLHQHLDA-ZDUSSCGKSA-N 2 2 304.463 2.007 10 0 DEAELP CN(Cc1[nH+]ccn1C)c1nc2c(s1)[C@H]([NH3+])CC(C)(C)C2 ZINC000062327854 184231149 /nfs/dbraw/zinc/23/11/49/184231149.db2.gz UFFGMAAFKKNXRB-SNVBAGLBSA-N 2 2 305.451 2.485 10 0 DEAELP COc1cc[nH+]c(CN2CCC([NH+]3CCCC3)CC2)c1OC ZINC000190394275 145041670 /nfs/dbraw/zinc/04/16/70/145041670.db2.gz CJHREUWYTFVFHN-UHFFFAOYSA-N 2 2 305.422 2.159 10 0 DEAELP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c(C)c1 ZINC000193649462 145089138 /nfs/dbraw/zinc/08/91/38/145089138.db2.gz GOIKZYSTJDPYAA-OAGGEKHMSA-N 2 2 301.434 2.124 10 0 DEAELP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c(C)c1 ZINC000193649462 145089140 /nfs/dbraw/zinc/08/91/40/145089140.db2.gz GOIKZYSTJDPYAA-OAGGEKHMSA-N 2 2 301.434 2.124 10 0 DEAELP Cc1ccc(NC(=O)[C@@H](C)[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c(C)c1 ZINC000193649462 145089141 /nfs/dbraw/zinc/08/91/41/145089141.db2.gz GOIKZYSTJDPYAA-OAGGEKHMSA-N 2 2 301.434 2.124 10 0 DEAELP Cc1ccc(NC(=O)[C@@H](C)[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c(C)c1 ZINC000193649462 145089144 /nfs/dbraw/zinc/08/91/44/145089144.db2.gz GOIKZYSTJDPYAA-OAGGEKHMSA-N 2 2 301.434 2.124 10 0 DEAELP COc1ccccc1NC(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247031633 145123891 /nfs/dbraw/zinc/12/38/91/145123891.db2.gz QSHZOPVTIBEMAP-GOEBONIOSA-N 2 2 317.433 2.050 10 0 DEAELP COc1ccccc1NC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247031633 145123893 /nfs/dbraw/zinc/12/38/93/145123893.db2.gz QSHZOPVTIBEMAP-GOEBONIOSA-N 2 2 317.433 2.050 10 0 DEAELP COc1ccccc1NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247031633 145123894 /nfs/dbraw/zinc/12/38/94/145123894.db2.gz QSHZOPVTIBEMAP-GOEBONIOSA-N 2 2 317.433 2.050 10 0 DEAELP COc1ccccc1NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247031633 145123896 /nfs/dbraw/zinc/12/38/96/145123896.db2.gz QSHZOPVTIBEMAP-GOEBONIOSA-N 2 2 317.433 2.050 10 0 DEAELP C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261883671 145237257 /nfs/dbraw/zinc/23/72/57/145237257.db2.gz UVSNKKZSXANXLS-ZENOOKHLSA-N 2 2 321.440 2.451 10 0 DEAELP C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261883671 145237259 /nfs/dbraw/zinc/23/72/59/145237259.db2.gz UVSNKKZSXANXLS-ZENOOKHLSA-N 2 2 321.440 2.451 10 0 DEAELP c1cc(N2CCCC2)[nH+]cc1N[C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000261887949 145238015 /nfs/dbraw/zinc/23/80/15/145238015.db2.gz GAZIXYUDMGELFW-GVDBMIGSSA-N 2 2 316.449 2.251 10 0 DEAELP CCOc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000261891352 145238279 /nfs/dbraw/zinc/23/82/79/145238279.db2.gz VOKRWOYEKRQYBH-BBRMVZONSA-N 2 2 319.449 2.472 10 0 DEAELP CCOc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000261891352 145238281 /nfs/dbraw/zinc/23/82/81/145238281.db2.gz VOKRWOYEKRQYBH-BBRMVZONSA-N 2 2 319.449 2.472 10 0 DEAELP C[NH+](C)[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)c1cccs1 ZINC000261907972 145240406 /nfs/dbraw/zinc/24/04/06/145240406.db2.gz INZKTUMXOVPSEM-XUWVNRHRSA-N 2 2 323.506 2.098 10 0 DEAELP C[N@H+](CC(=O)Nc1ccc(F)c(F)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261936038 145244000 /nfs/dbraw/zinc/24/40/00/145244000.db2.gz KHJWSQUXWOZQKK-QYJAPNMZSA-N 2 2 309.360 2.118 10 0 DEAELP C[N@@H+](CC(=O)Nc1ccc(F)c(F)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261936038 145244002 /nfs/dbraw/zinc/24/40/02/145244002.db2.gz KHJWSQUXWOZQKK-QYJAPNMZSA-N 2 2 309.360 2.118 10 0 DEAELP C[C@@]1(C[NH+]2CCN(C(=O)CC3CCCCC3)CC2)CC[NH2+]C1 ZINC000261989305 145251395 /nfs/dbraw/zinc/25/13/95/145251395.db2.gz KCYLZCJFHUZVNH-GOSISDBHSA-N 2 2 307.482 2.101 10 0 DEAELP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)Nc1ccccc1F ZINC000130796277 401839496 /nfs/dbraw/zinc/83/94/96/401839496.db2.gz VYEXOTPLAZDDKH-UHFFFAOYSA-N 2 2 304.369 2.291 10 0 DEAELP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)Nc1ccccc1F ZINC000130796277 401839498 /nfs/dbraw/zinc/83/94/98/401839498.db2.gz VYEXOTPLAZDDKH-UHFFFAOYSA-N 2 2 304.369 2.291 10 0 DEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N([C@@H](C)C2CC2)C2CC2)[C@H](C)C1 ZINC000079461750 401872820 /nfs/dbraw/zinc/87/28/20/401872820.db2.gz USZKFSSINCMBNZ-VKJFTORMSA-N 2 2 321.509 2.438 10 0 DEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N([C@@H](C)C2CC2)C2CC2)[C@H](C)C1 ZINC000079461750 401872823 /nfs/dbraw/zinc/87/28/23/401872823.db2.gz USZKFSSINCMBNZ-VKJFTORMSA-N 2 2 321.509 2.438 10 0 DEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N([C@@H](C)C2CC2)C2CC2)[C@H](C)C1 ZINC000079461750 401872825 /nfs/dbraw/zinc/87/28/25/401872825.db2.gz USZKFSSINCMBNZ-VKJFTORMSA-N 2 2 321.509 2.438 10 0 DEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N([C@@H](C)C2CC2)C2CC2)[C@H](C)C1 ZINC000079461750 401872827 /nfs/dbraw/zinc/87/28/27/401872827.db2.gz USZKFSSINCMBNZ-VKJFTORMSA-N 2 2 321.509 2.438 10 0 DEAELP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CCCn2cc[nH+]c21 ZINC000080653667 401890996 /nfs/dbraw/zinc/89/09/96/401890996.db2.gz VJZIBIRUODXUME-HUUCEWRRSA-N 2 2 304.438 2.141 10 0 DEAELP CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1CCCn2cc[nH+]c21 ZINC000080653667 401890997 /nfs/dbraw/zinc/89/09/97/401890997.db2.gz VJZIBIRUODXUME-HUUCEWRRSA-N 2 2 304.438 2.141 10 0 DEAELP CC(C)Cn1cc[nH+]c1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC000081445049 401896278 /nfs/dbraw/zinc/89/62/78/401896278.db2.gz HCGAIUANQGUWKQ-UHFFFAOYSA-N 2 2 306.454 2.276 10 0 DEAELP CCc1cc(=O)[nH]c(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)n1 ZINC000119534655 401957072 /nfs/dbraw/zinc/95/70/72/401957072.db2.gz IPEDMSAYLWVAPU-ZDUSSCGKSA-N 2 2 313.405 2.074 10 0 DEAELP CCc1cc(=O)[nH]c(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)n1 ZINC000119534655 401957075 /nfs/dbraw/zinc/95/70/75/401957075.db2.gz IPEDMSAYLWVAPU-ZDUSSCGKSA-N 2 2 313.405 2.074 10 0 DEAELP Cn1ncc2c1CCC[C@H]2[NH2+]Cc1cccnc1-n1cc[nH+]c1 ZINC000151546902 402042719 /nfs/dbraw/zinc/04/27/19/402042719.db2.gz GJYPICMPQYOKFL-OAHLLOKOSA-N 2 2 308.389 2.168 10 0 DEAELP C[C@@H]1C[C@@H]([NH+](C)CC(=O)N(C)Cc2ccccc2)CC[N@@H+]1C ZINC000123146544 402113769 /nfs/dbraw/zinc/11/37/69/402113769.db2.gz WCSAJCRNVBGWRY-WBVHZDCISA-N 2 2 303.450 2.060 10 0 DEAELP C[C@@H]1C[C@@H]([NH+](C)CC(=O)N(C)Cc2ccccc2)CC[N@H+]1C ZINC000123146544 402113771 /nfs/dbraw/zinc/11/37/71/402113771.db2.gz WCSAJCRNVBGWRY-WBVHZDCISA-N 2 2 303.450 2.060 10 0 DEAELP C[C@@H]1C[C@@H]([N@H+](C)CC(=O)N(C)Cc2ccccc2)CC[NH+]1C ZINC000123146544 402113773 /nfs/dbraw/zinc/11/37/73/402113773.db2.gz WCSAJCRNVBGWRY-WBVHZDCISA-N 2 2 303.450 2.060 10 0 DEAELP C[C@@H]1C[C@@H]([N@@H+](C)CC(=O)N(C)Cc2ccccc2)CC[NH+]1C ZINC000123146544 402113776 /nfs/dbraw/zinc/11/37/76/402113776.db2.gz WCSAJCRNVBGWRY-WBVHZDCISA-N 2 2 303.450 2.060 10 0 DEAELP COc1cccc(NC(=O)C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000123557649 402134548 /nfs/dbraw/zinc/13/45/48/402134548.db2.gz PCVVHGRYOFMEOJ-ZFWWWQNUSA-N 2 2 305.422 2.048 10 0 DEAELP COc1cccc(NC(=O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000123557649 402134549 /nfs/dbraw/zinc/13/45/49/402134549.db2.gz PCVVHGRYOFMEOJ-ZFWWWQNUSA-N 2 2 305.422 2.048 10 0 DEAELP COc1cccc(NC(=O)C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000123557649 402134550 /nfs/dbraw/zinc/13/45/50/402134550.db2.gz PCVVHGRYOFMEOJ-ZFWWWQNUSA-N 2 2 305.422 2.048 10 0 DEAELP COc1cccc(NC(=O)C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000123557649 402134551 /nfs/dbraw/zinc/13/45/51/402134551.db2.gz PCVVHGRYOFMEOJ-ZFWWWQNUSA-N 2 2 305.422 2.048 10 0 DEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)N2CCCCCC2)C1 ZINC000105896411 402210573 /nfs/dbraw/zinc/21/05/73/402210573.db2.gz JQSOADUDEGXHAK-MRXNPFEDSA-N 2 2 318.465 2.485 10 0 DEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)N2CCCCCC2)C1 ZINC000105896411 402210574 /nfs/dbraw/zinc/21/05/74/402210574.db2.gz JQSOADUDEGXHAK-MRXNPFEDSA-N 2 2 318.465 2.485 10 0 DEAELP Cn1cc(-c2cc(C[N@H+](C)CC[C@H]3CCCC[NH+]3C)on2)cn1 ZINC000185012237 402316710 /nfs/dbraw/zinc/31/67/10/402316710.db2.gz ZTKBQPATDFHBFF-OAHLLOKOSA-N 2 2 317.437 2.381 10 0 DEAELP Cn1cc(-c2cc(C[N@@H+](C)CC[C@H]3CCCC[NH+]3C)on2)cn1 ZINC000185012237 402316712 /nfs/dbraw/zinc/31/67/12/402316712.db2.gz ZTKBQPATDFHBFF-OAHLLOKOSA-N 2 2 317.437 2.381 10 0 DEAELP Cn1cc(-c2cc(C[NH+](C)CC[C@H]3CCCC[N@@H+]3C)on2)cn1 ZINC000185012237 402316715 /nfs/dbraw/zinc/31/67/15/402316715.db2.gz ZTKBQPATDFHBFF-OAHLLOKOSA-N 2 2 317.437 2.381 10 0 DEAELP Cn1cc(-c2cc(C[NH+](C)CC[C@H]3CCCC[N@H+]3C)on2)cn1 ZINC000185012237 402316718 /nfs/dbraw/zinc/31/67/18/402316718.db2.gz ZTKBQPATDFHBFF-OAHLLOKOSA-N 2 2 317.437 2.381 10 0 DEAELP O=C(NC1CC[NH+](C2CCCC2)CC1)[C@H]1CCCn2cc[nH+]c21 ZINC000177452911 402404037 /nfs/dbraw/zinc/40/40/37/402404037.db2.gz KXLWFZJMTJTRMY-INIZCTEOSA-N 2 2 316.449 2.284 10 0 DEAELP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCCCNc1cccc[nH+]1 ZINC000177524499 402412378 /nfs/dbraw/zinc/41/23/78/402412378.db2.gz SLZDCSAEPCNGPJ-OAHLLOKOSA-N 2 2 319.453 2.009 10 0 DEAELP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NCCCNc1cccc[nH+]1 ZINC000177524499 402412379 /nfs/dbraw/zinc/41/23/79/402412379.db2.gz SLZDCSAEPCNGPJ-OAHLLOKOSA-N 2 2 319.453 2.009 10 0 DEAELP CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)C[NH+]2CCCCC2)C12CCOCC2 ZINC000186238875 402414522 /nfs/dbraw/zinc/41/45/22/402414522.db2.gz MIXZKBDEMMHFQC-GVDBMIGSSA-N 2 2 310.482 2.425 10 0 DEAELP CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)C12CCOCC2 ZINC000186418883 402429847 /nfs/dbraw/zinc/42/98/47/402429847.db2.gz BLVFFQZHDYYOHI-VVLHAWIVSA-N 2 2 310.482 2.279 10 0 DEAELP CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[N@H+](C(C)C)C[C@@H]2C)C12CCOCC2 ZINC000186418883 402429848 /nfs/dbraw/zinc/42/98/48/402429848.db2.gz BLVFFQZHDYYOHI-VVLHAWIVSA-N 2 2 310.482 2.279 10 0 DEAELP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177968556 402447838 /nfs/dbraw/zinc/44/78/38/402447838.db2.gz OGFZBYXJPLJAJC-HNNXBMFYSA-N 2 2 317.437 2.110 10 0 DEAELP CO[C@H](C)c1noc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)n1 ZINC000245476496 402464952 /nfs/dbraw/zinc/46/49/52/402464952.db2.gz SXLFLWOUXAUMOT-OLZOCXBDSA-N 2 2 317.393 2.106 10 0 DEAELP CO[C@H](C)c1noc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)n1 ZINC000245476496 402464956 /nfs/dbraw/zinc/46/49/56/402464956.db2.gz SXLFLWOUXAUMOT-OLZOCXBDSA-N 2 2 317.393 2.106 10 0 DEAELP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C[C@@H](O)C(F)(F)F)C1 ZINC000248573817 402597025 /nfs/dbraw/zinc/59/70/25/402597025.db2.gz MTRUNKOIIBPDCE-MGPQQGTHSA-N 2 2 308.388 2.496 10 0 DEAELP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@@H](O)C(F)(F)F)C1 ZINC000248573817 402597027 /nfs/dbraw/zinc/59/70/27/402597027.db2.gz MTRUNKOIIBPDCE-MGPQQGTHSA-N 2 2 308.388 2.496 10 0 DEAELP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[C@@H](O)C(F)(F)F)C1 ZINC000248573817 402597029 /nfs/dbraw/zinc/59/70/29/402597029.db2.gz MTRUNKOIIBPDCE-MGPQQGTHSA-N 2 2 308.388 2.496 10 0 DEAELP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C[C@@H](O)C(F)(F)F)C1 ZINC000248573817 402597030 /nfs/dbraw/zinc/59/70/30/402597030.db2.gz MTRUNKOIIBPDCE-MGPQQGTHSA-N 2 2 308.388 2.496 10 0 DEAELP CC[C@@](C)(O)C[N@@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000248640394 402600387 /nfs/dbraw/zinc/60/03/87/402600387.db2.gz BZZNONVLNOCKJY-GOEBONIOSA-N 2 2 311.495 2.366 10 0 DEAELP CC[C@@](C)(O)C[N@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000248640394 402600389 /nfs/dbraw/zinc/60/03/89/402600389.db2.gz BZZNONVLNOCKJY-GOEBONIOSA-N 2 2 311.495 2.366 10 0 DEAELP CC[C@@](C)(O)C[NH+]1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000248640394 402600392 /nfs/dbraw/zinc/60/03/92/402600392.db2.gz BZZNONVLNOCKJY-GOEBONIOSA-N 2 2 311.495 2.366 10 0 DEAELP CC[C@@](C)(O)C[NH+]1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000248640394 402600394 /nfs/dbraw/zinc/60/03/94/402600394.db2.gz BZZNONVLNOCKJY-GOEBONIOSA-N 2 2 311.495 2.366 10 0 DEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2nnc(C)n2CC)C1 ZINC000171614840 402601349 /nfs/dbraw/zinc/60/13/49/402601349.db2.gz XVSHOYKPSRBPLQ-AWEZNQCLSA-N 2 2 302.426 2.202 10 0 DEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2nnc(C)n2CC)C1 ZINC000171614840 402601350 /nfs/dbraw/zinc/60/13/50/402601350.db2.gz XVSHOYKPSRBPLQ-AWEZNQCLSA-N 2 2 302.426 2.202 10 0 DEAELP Cc1cccc(NC[C@H]2CC[N@H+](CC(=O)OC(C)(C)C)C2)[nH+]1 ZINC000171648444 402605611 /nfs/dbraw/zinc/60/56/11/402605611.db2.gz QOPWRIAIBNAPBL-CQSZACIVSA-N 2 2 305.422 2.466 10 0 DEAELP Cc1cccc(NC[C@H]2CC[N@@H+](CC(=O)OC(C)(C)C)C2)[nH+]1 ZINC000171648444 402605612 /nfs/dbraw/zinc/60/56/12/402605612.db2.gz QOPWRIAIBNAPBL-CQSZACIVSA-N 2 2 305.422 2.466 10 0 DEAELP C[C@H]1C[N@@H+](C2CC[NH+](C[C@](C)(O)c3ccccc3)CC2)CCO1 ZINC000171647845 402605759 /nfs/dbraw/zinc/60/57/59/402605759.db2.gz IALSCYWQBDDHBA-LPHOPBHVSA-N 2 2 318.461 2.079 10 0 DEAELP C[C@H]1C[N@H+](C2CC[NH+](C[C@](C)(O)c3ccccc3)CC2)CCO1 ZINC000171647845 402605762 /nfs/dbraw/zinc/60/57/62/402605762.db2.gz IALSCYWQBDDHBA-LPHOPBHVSA-N 2 2 318.461 2.079 10 0 DEAELP O=C(c1ccc2[nH+]ccn2c1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000171744441 402617447 /nfs/dbraw/zinc/61/74/47/402617447.db2.gz PMIRATQAXDQSMB-UHFFFAOYSA-N 2 2 312.417 2.282 10 0 DEAELP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@H](C)c2ccc(C)c(F)c2)CC1 ZINC000181347129 402642244 /nfs/dbraw/zinc/64/22/44/402642244.db2.gz OMLQWGLJYLYHIN-CABCVRRESA-N 2 2 321.440 2.337 10 0 DEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1nnc(C2CCC2)n1C ZINC000181413273 402645014 /nfs/dbraw/zinc/64/50/14/402645014.db2.gz QBUVTKVDHICKDC-OAHLLOKOSA-N 2 2 314.437 2.252 10 0 DEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1nnc(C2CCC2)n1C ZINC000181413273 402645017 /nfs/dbraw/zinc/64/50/17/402645017.db2.gz QBUVTKVDHICKDC-OAHLLOKOSA-N 2 2 314.437 2.252 10 0 DEAELP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1nnc(C2CCC2)n1C ZINC000181512101 402647787 /nfs/dbraw/zinc/64/77/87/402647787.db2.gz QLZIHKUQYWAPOQ-UHFFFAOYSA-N 2 2 302.426 2.110 10 0 DEAELP Cc1[nH+]ccn1CCC[N@H+](C)Cc1nnc(C2CCC2)n1C ZINC000181512101 402647789 /nfs/dbraw/zinc/64/77/89/402647789.db2.gz QLZIHKUQYWAPOQ-UHFFFAOYSA-N 2 2 302.426 2.110 10 0 DEAELP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1ccc2c(c1)sc(=O)n2C ZINC000262012368 402721238 /nfs/dbraw/zinc/72/12/38/402721238.db2.gz MJRWKRYCOGVLCE-WCQYABFASA-N 2 2 305.447 2.302 10 0 DEAELP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1ccc2c(c1)sc(=O)n2C ZINC000262012368 402721240 /nfs/dbraw/zinc/72/12/40/402721240.db2.gz MJRWKRYCOGVLCE-WCQYABFASA-N 2 2 305.447 2.302 10 0 DEAELP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccnn1C ZINC000192694646 402744366 /nfs/dbraw/zinc/74/43/66/402744366.db2.gz ZKINIDKMDUJKMB-HNNXBMFYSA-N 2 2 314.433 2.103 10 0 DEAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NCc2ccc(F)cc2)[C@H](C)C1 ZINC000174775550 402756832 /nfs/dbraw/zinc/75/68/32/402756832.db2.gz DXKSLLPEGUZQFI-RHSMWYFYSA-N 2 2 321.440 2.104 10 0 DEAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NCc2ccc(F)cc2)[C@H](C)C1 ZINC000174775550 402756834 /nfs/dbraw/zinc/75/68/34/402756834.db2.gz DXKSLLPEGUZQFI-RHSMWYFYSA-N 2 2 321.440 2.104 10 0 DEAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NCc2ccc(F)cc2)[C@H](C)C1 ZINC000174775550 402756835 /nfs/dbraw/zinc/75/68/35/402756835.db2.gz DXKSLLPEGUZQFI-RHSMWYFYSA-N 2 2 321.440 2.104 10 0 DEAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NCc2ccc(F)cc2)[C@H](C)C1 ZINC000174775550 402756837 /nfs/dbraw/zinc/75/68/37/402756837.db2.gz DXKSLLPEGUZQFI-RHSMWYFYSA-N 2 2 321.440 2.104 10 0 DEAELP [NH3+]Cc1nc(C[N@@H+]2CCC[C@@]3(CCCc4ccccc43)C2)no1 ZINC000262309303 402723976 /nfs/dbraw/zinc/72/39/76/402723976.db2.gz YRHXVKACFOYFDT-SFHVURJKSA-N 2 2 312.417 2.398 10 0 DEAELP [NH3+]Cc1nc(C[N@H+]2CCC[C@@]3(CCCc4ccccc43)C2)no1 ZINC000262309303 402723980 /nfs/dbraw/zinc/72/39/80/402723980.db2.gz YRHXVKACFOYFDT-SFHVURJKSA-N 2 2 312.417 2.398 10 0 DEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NCc2sccc2C)[C@H](C)C1 ZINC000175720468 402826212 /nfs/dbraw/zinc/82/62/12/402826212.db2.gz XYRLCNFSKKXHKM-CABCVRRESA-N 2 2 323.506 2.335 10 0 DEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NCc2sccc2C)[C@H](C)C1 ZINC000175720468 402826215 /nfs/dbraw/zinc/82/62/15/402826215.db2.gz XYRLCNFSKKXHKM-CABCVRRESA-N 2 2 323.506 2.335 10 0 DEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NCc2sccc2C)[C@H](C)C1 ZINC000175720468 402826217 /nfs/dbraw/zinc/82/62/17/402826217.db2.gz XYRLCNFSKKXHKM-CABCVRRESA-N 2 2 323.506 2.335 10 0 DEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NCc2sccc2C)[C@H](C)C1 ZINC000175720468 402826218 /nfs/dbraw/zinc/82/62/18/402826218.db2.gz XYRLCNFSKKXHKM-CABCVRRESA-N 2 2 323.506 2.335 10 0 DEAELP Cn1c[nH+]cc1[C@@H]1C[C@H]([NH2+]Cc2cnn3ccccc23)CCO1 ZINC000275715347 403118047 /nfs/dbraw/zinc/11/80/47/403118047.db2.gz YQLBOJRWIOCOCZ-PBHICJAKSA-N 2 2 311.389 2.078 10 0 DEAELP COc1ccc(C[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)cc1Br ZINC000343915954 403789843 /nfs/dbraw/zinc/78/98/43/403789843.db2.gz OWZBPGCPDSUNOY-GXFFZTMASA-N 2 2 313.239 2.497 10 0 DEAELP COc1ccc(C[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)cc1Br ZINC000343915954 403789849 /nfs/dbraw/zinc/78/98/49/403789849.db2.gz OWZBPGCPDSUNOY-GXFFZTMASA-N 2 2 313.239 2.497 10 0 DEAELP COc1ccc(C[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)cc1Br ZINC000343915952 403790298 /nfs/dbraw/zinc/79/02/98/403790298.db2.gz OWZBPGCPDSUNOY-GWCFXTLKSA-N 2 2 313.239 2.497 10 0 DEAELP COc1ccc(C[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)cc1Br ZINC000343915952 403790300 /nfs/dbraw/zinc/79/03/00/403790300.db2.gz OWZBPGCPDSUNOY-GWCFXTLKSA-N 2 2 313.239 2.497 10 0 DEAELP CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[N@@H+](C(C)C)C[C@H]2C)C12CCOCC2 ZINC000248908003 286399508 /nfs/dbraw/zinc/39/95/08/286399508.db2.gz BLVFFQZHDYYOHI-WCXIOVBPSA-N 2 2 310.482 2.279 10 0 DEAELP CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[N@H+](C(C)C)C[C@H]2C)C12CCOCC2 ZINC000248908003 286399509 /nfs/dbraw/zinc/39/95/09/286399509.db2.gz BLVFFQZHDYYOHI-WCXIOVBPSA-N 2 2 310.482 2.279 10 0 DEAELP C[C@@H]([NH2+]Cc1ncc(Br)s1)[C@@H]1CCC[NH2+]C1 ZINC000414855439 404749150 /nfs/dbraw/zinc/74/91/50/404749150.db2.gz NEQRTXPWDVCMDD-RKDXNWHRSA-N 2 2 304.257 2.383 10 0 DEAELP C[NH+](C)CCN1c2ccccc2[N@@H+](CC(=O)c2ccccc2)C1=N ZINC000367837772 405168877 /nfs/dbraw/zinc/16/88/77/405168877.db2.gz UKHFFLPIBVUUSJ-UHFFFAOYSA-N 2 2 322.412 2.367 10 0 DEAELP C[NH+](C)CCN1c2ccccc2[N@H+](CC(=O)c2ccccc2)C1=N ZINC000367837772 405168879 /nfs/dbraw/zinc/16/88/79/405168879.db2.gz UKHFFLPIBVUUSJ-UHFFFAOYSA-N 2 2 322.412 2.367 10 0 DEAELP C[C@@H](Cc1cnccn1)[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000453093120 405283578 /nfs/dbraw/zinc/28/35/78/405283578.db2.gz SOJMFSWAEHZGPK-HNNXBMFYSA-N 2 2 307.401 2.442 10 0 DEAELP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2CCCO)cc1 ZINC000449389808 405539696 /nfs/dbraw/zinc/53/96/96/405539696.db2.gz UCOVVYKTVAAZGR-WBVHZDCISA-N 2 2 306.450 2.063 10 0 DEAELP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CCC[N@H+]2CCCO)cc1 ZINC000449389808 405539697 /nfs/dbraw/zinc/53/96/97/405539697.db2.gz UCOVVYKTVAAZGR-WBVHZDCISA-N 2 2 306.450 2.063 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC(C)(C)C[NH+](C)C)C2 ZINC000457207157 405752122 /nfs/dbraw/zinc/75/21/22/405752122.db2.gz BBAITZMOFDGEHM-LBPRGKRZSA-N 2 2 306.454 2.094 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC(C)(C)C[NH+](C)C)CC2 ZINC000457207157 405752128 /nfs/dbraw/zinc/75/21/28/405752128.db2.gz BBAITZMOFDGEHM-LBPRGKRZSA-N 2 2 306.454 2.094 10 0 DEAELP O[C@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2[NH2+]C2CCC3(CCOCC3)CC2)C1 ZINC000639369906 406067790 /nfs/dbraw/zinc/06/77/90/406067790.db2.gz LJVMKJMRBIXFOP-OKZBNKHCSA-N 2 2 322.493 2.303 10 0 DEAELP O[C@H]1CC[N@H+]([C@@H]2CCC[C@@H]2[NH2+]C2CCC3(CCOCC3)CC2)C1 ZINC000639369906 406067791 /nfs/dbraw/zinc/06/77/91/406067791.db2.gz LJVMKJMRBIXFOP-OKZBNKHCSA-N 2 2 322.493 2.303 10 0 DEAELP C[N@H+](CCNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)C1CCCC1 ZINC000520616892 406306740 /nfs/dbraw/zinc/30/67/40/406306740.db2.gz ZNXYNRULRSLIQX-UHFFFAOYSA-N 2 2 319.453 2.173 10 0 DEAELP C[N@@H+](CCNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)C1CCCC1 ZINC000520616892 406306746 /nfs/dbraw/zinc/30/67/46/406306746.db2.gz ZNXYNRULRSLIQX-UHFFFAOYSA-N 2 2 319.453 2.173 10 0 DEAELP c1nc(N2CCCC2)ncc1C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000526007834 406532805 /nfs/dbraw/zinc/53/28/05/406532805.db2.gz FOMGMRAYUJNMQB-UHFFFAOYSA-N 2 2 315.465 2.183 10 0 DEAELP CC[NH+]1CCC(NC(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)CC1 ZINC000526983158 406563906 /nfs/dbraw/zinc/56/39/06/406563906.db2.gz XDLXQJMZLJWKRD-ZDUSSCGKSA-N 2 2 318.465 2.239 10 0 DEAELP CC[NH+]1CCC(NC(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)CC1 ZINC000526983158 406563911 /nfs/dbraw/zinc/56/39/11/406563911.db2.gz XDLXQJMZLJWKRD-ZDUSSCGKSA-N 2 2 318.465 2.239 10 0 DEAELP C[N@H+](CC[C@@H]1COCC[NH2+]1)Cc1csc(Br)c1 ZINC000129417421 196046816 /nfs/dbraw/zinc/04/68/16/196046816.db2.gz LMSNIAJKXRVNEC-LLVKDONJSA-N 2 2 319.268 2.321 10 0 DEAELP C[N@@H+](CC[C@@H]1COCC[NH2+]1)Cc1csc(Br)c1 ZINC000129417421 196046817 /nfs/dbraw/zinc/04/68/17/196046817.db2.gz LMSNIAJKXRVNEC-LLVKDONJSA-N 2 2 319.268 2.321 10 0 DEAELP CNc1nc(NCC2CC[NH+](C)CC2)c(Br)c[nH+]1 ZINC000131939147 196211928 /nfs/dbraw/zinc/21/19/28/196211928.db2.gz DBPOGQLCQXZQON-UHFFFAOYSA-N 2 2 314.231 2.035 10 0 DEAELP COC(=O)[C@H]1C[C@H](c2ccccc2)C[N@H+](CCn2cc[nH+]c2)C1 ZINC000132759442 196281245 /nfs/dbraw/zinc/28/12/45/196281245.db2.gz ZHMFCFYZPFOLMN-IRXDYDNUSA-N 2 2 313.401 2.162 10 0 DEAELP COC(=O)[C@H]1C[C@H](c2ccccc2)C[N@@H+](CCn2cc[nH+]c2)C1 ZINC000132759442 196281246 /nfs/dbraw/zinc/28/12/46/196281246.db2.gz ZHMFCFYZPFOLMN-IRXDYDNUSA-N 2 2 313.401 2.162 10 0 DEAELP CCO[C@@H]1C[N@H+](Cc2ccc(Br)cc2)C[C@H]1C[NH3+] ZINC000405277522 424930671 /nfs/dbraw/zinc/93/06/71/424930671.db2.gz YTUPPVYRIIUCHU-TZMCWYRMSA-N 2 2 313.239 2.245 10 0 DEAELP CCO[C@@H]1C[N@@H+](Cc2ccc(Br)cc2)C[C@H]1C[NH3+] ZINC000405277522 424930672 /nfs/dbraw/zinc/93/06/72/424930672.db2.gz YTUPPVYRIIUCHU-TZMCWYRMSA-N 2 2 313.239 2.245 10 0 DEAELP C[NH+](C)C1CC[NH+](CCNC(=O)C(C)(C)c2cccs2)CC1 ZINC000177153516 267553338 /nfs/dbraw/zinc/55/33/38/267553338.db2.gz DKZCEKFAAITBCG-UHFFFAOYSA-N 2 2 323.506 2.168 10 0 DEAELP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000112667194 279277566 /nfs/dbraw/zinc/27/75/66/279277566.db2.gz RMTIPIRSJJQVJD-INIZCTEOSA-N 2 2 318.465 2.303 10 0 DEAELP CC[N@H+]1CCCC[C@H]1C(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000112667194 279277567 /nfs/dbraw/zinc/27/75/67/279277567.db2.gz RMTIPIRSJJQVJD-INIZCTEOSA-N 2 2 318.465 2.303 10 0 DEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)N2CCC[C@H](C)C2)C1 ZINC000105896908 522600289 /nfs/dbraw/zinc/60/02/89/522600289.db2.gz XOBWFMNUWIAWJA-HOTGVXAUSA-N 2 2 318.465 2.341 10 0 DEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)N2CCC[C@H](C)C2)C1 ZINC000105896908 522600295 /nfs/dbraw/zinc/60/02/95/522600295.db2.gz XOBWFMNUWIAWJA-HOTGVXAUSA-N 2 2 318.465 2.341 10 0 DEAELP CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)CC[C@H]1CC[NH2+]C1)C2 ZINC000261814403 535137432 /nfs/dbraw/zinc/13/74/32/535137432.db2.gz MCQIMTSDJDOYAD-KBPBESRZSA-N 2 2 318.465 2.001 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N(C)CC[N@H+](C)C1CC1)C2 ZINC000372385181 535381877 /nfs/dbraw/zinc/38/18/77/535381877.db2.gz GXKYHHIYLYWPSV-CYBMUJFWSA-N 2 2 318.465 2.191 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N(C)CC[N@@H+](C)C1CC1)C2 ZINC000372385181 535381878 /nfs/dbraw/zinc/38/18/78/535381878.db2.gz GXKYHHIYLYWPSV-CYBMUJFWSA-N 2 2 318.465 2.191 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N(C)CC[N@H+](C)C1CC1)CC2 ZINC000372385181 535381880 /nfs/dbraw/zinc/38/18/80/535381880.db2.gz GXKYHHIYLYWPSV-CYBMUJFWSA-N 2 2 318.465 2.191 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N(C)CC[N@@H+](C)C1CC1)CC2 ZINC000372385181 535381881 /nfs/dbraw/zinc/38/18/81/535381881.db2.gz GXKYHHIYLYWPSV-CYBMUJFWSA-N 2 2 318.465 2.191 10 0 DEAELP C/C=C(/C)C[NH+]1CCC(c2nnc(Cn3cc[nH+]c3)n2C)CC1 ZINC000229948032 646709309 /nfs/dbraw/zinc/70/93/09/646709309.db2.gz SQNSTYZLCILHJH-CPSFFCFKSA-N 2 2 314.437 2.206 10 0 DEAELP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(C(F)(F)F)s1 ZINC000717981588 1081855269 /nfs/dbraw/zinc/85/52/69/1081855269.db2.gz GBGAPEYOSLTWSM-BXKDBHETSA-N 2 2 308.369 2.484 10 0 DEAELP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(C(F)(F)F)s1 ZINC000717981588 1081855275 /nfs/dbraw/zinc/85/52/75/1081855275.db2.gz GBGAPEYOSLTWSM-BXKDBHETSA-N 2 2 308.369 2.484 10 0 DEAELP Nc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)nn1 ZINC000703981654 1086569669 /nfs/dbraw/zinc/56/96/69/1086569669.db2.gz YNJQIKPQBVOHAO-DLBZAZTESA-N 2 2 323.444 2.013 10 0 DEAELP Nc1ccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)nn1 ZINC000703981654 1086569682 /nfs/dbraw/zinc/56/96/82/1086569682.db2.gz YNJQIKPQBVOHAO-DLBZAZTESA-N 2 2 323.444 2.013 10 0 DEAELP Nc1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)nn1 ZINC000703981654 1086569695 /nfs/dbraw/zinc/56/96/95/1086569695.db2.gz YNJQIKPQBVOHAO-DLBZAZTESA-N 2 2 323.444 2.013 10 0 DEAELP Nc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)nn1 ZINC000703981654 1086569703 /nfs/dbraw/zinc/56/97/03/1086569703.db2.gz YNJQIKPQBVOHAO-DLBZAZTESA-N 2 2 323.444 2.013 10 0 DEAELP Cn1ccc2c1nc[nH+]c2N1CC[NH+](Cc2ccccc2)CC1 ZINC000082359031 185177753 /nfs/dbraw/zinc/17/77/53/185177753.db2.gz ZBIMXYVMCUXSIQ-UHFFFAOYSA-N 2 2 307.401 2.291 10 0 DEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N(C)C2CCCCC2)[C@H](C)C1 ZINC000175731438 282196346 /nfs/dbraw/zinc/19/63/46/282196346.db2.gz AVJCUJHWLPKEKA-WBVHZDCISA-N 2 2 309.498 2.440 10 0 DEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N(C)C2CCCCC2)[C@H](C)C1 ZINC000175731438 282196347 /nfs/dbraw/zinc/19/63/47/282196347.db2.gz AVJCUJHWLPKEKA-WBVHZDCISA-N 2 2 309.498 2.440 10 0 DEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N(C)C2CCCCC2)[C@H](C)C1 ZINC000175731438 282196348 /nfs/dbraw/zinc/19/63/48/282196348.db2.gz AVJCUJHWLPKEKA-WBVHZDCISA-N 2 2 309.498 2.440 10 0 DEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N(C)C2CCCCC2)[C@H](C)C1 ZINC000175731438 282196349 /nfs/dbraw/zinc/19/63/49/282196349.db2.gz AVJCUJHWLPKEKA-WBVHZDCISA-N 2 2 309.498 2.440 10 0 DEAELP CCC[NH2+][C@](CO)(C[N@@H+]1CCC[C@H](C(F)(F)F)C1)C1CC1 ZINC000088439654 185250791 /nfs/dbraw/zinc/25/07/91/185250791.db2.gz KFWUETAQONPTRN-KBPBESRZSA-N 2 2 308.388 2.401 10 0 DEAELP CCC[NH2+][C@](CO)(C[N@H+]1CCC[C@H](C(F)(F)F)C1)C1CC1 ZINC000088439654 185250792 /nfs/dbraw/zinc/25/07/92/185250792.db2.gz KFWUETAQONPTRN-KBPBESRZSA-N 2 2 308.388 2.401 10 0 DEAELP C[C@@H]1[C@H]2C[NH2+]C[C@@H]2C[N@@H+]1Cc1csc(-c2ccccn2)n1 ZINC000090327665 185291414 /nfs/dbraw/zinc/29/14/14/185291414.db2.gz GEEGDZAUVWVWDC-YRGRVCCFSA-N 2 2 300.431 2.245 10 0 DEAELP C[C@@H]1[C@H]2C[NH2+]C[C@@H]2C[N@H+]1Cc1csc(-c2ccccn2)n1 ZINC000090327665 185291415 /nfs/dbraw/zinc/29/14/15/185291415.db2.gz GEEGDZAUVWVWDC-YRGRVCCFSA-N 2 2 300.431 2.245 10 0 DEAELP CC1(C)[C@H]2C[NH2+]C[C@H]2C[N@@H+]1Cc1nc(-c2ccsc2)no1 ZINC000090338334 185291832 /nfs/dbraw/zinc/29/18/32/185291832.db2.gz NHWFELTXSSAQBI-RYUDHWBXSA-N 2 2 304.419 2.228 10 0 DEAELP CC1(C)[C@H]2C[NH2+]C[C@H]2C[N@H+]1Cc1nc(-c2ccsc2)no1 ZINC000090338334 185291833 /nfs/dbraw/zinc/29/18/33/185291833.db2.gz NHWFELTXSSAQBI-RYUDHWBXSA-N 2 2 304.419 2.228 10 0 DEAELP CC1(C)[C@H]2C[NH2+]C[C@@H]2C[N@@H+]1Cc1nc(-c2ccsc2)no1 ZINC000090338332 185291954 /nfs/dbraw/zinc/29/19/54/185291954.db2.gz NHWFELTXSSAQBI-NEPJUHHUSA-N 2 2 304.419 2.228 10 0 DEAELP CC1(C)[C@H]2C[NH2+]C[C@@H]2C[N@H+]1Cc1nc(-c2ccsc2)no1 ZINC000090338332 185291955 /nfs/dbraw/zinc/29/19/55/185291955.db2.gz NHWFELTXSSAQBI-NEPJUHHUSA-N 2 2 304.419 2.228 10 0 DEAELP C[NH2+][C@@H]1COC[C@H]1C[N@H+](C)Cc1csc(Br)c1 ZINC000090438871 185296723 /nfs/dbraw/zinc/29/67/23/185296723.db2.gz SKUHFFIWKCZFGR-GHMZBOCLSA-N 2 2 319.268 2.177 10 0 DEAELP C[NH2+][C@@H]1COC[C@H]1C[N@@H+](C)Cc1csc(Br)c1 ZINC000090438871 185296724 /nfs/dbraw/zinc/29/67/24/185296724.db2.gz SKUHFFIWKCZFGR-GHMZBOCLSA-N 2 2 319.268 2.177 10 0 DEAELP C[NH+](C)C1CC[NH+](C[C@H](O)COc2ccccc2Cl)CC1 ZINC000193812715 539715239 /nfs/dbraw/zinc/71/52/39/539715239.db2.gz XUVOYINSWIVJAL-AWEZNQCLSA-N 2 2 312.841 2.106 10 0 DEAELP C[C@@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1n1cc[nH+]c1 ZINC000183904224 186229293 /nfs/dbraw/zinc/22/92/93/186229293.db2.gz GSGKCQJLGWXWQX-CZUORRHYSA-N 2 2 313.405 2.067 10 0 DEAELP Cn1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)nn1 ZINC000390623698 540134104 /nfs/dbraw/zinc/13/41/04/540134104.db2.gz HLOMSWXVVFEGTA-ZNXRZULTSA-N 2 2 311.433 2.100 10 0 DEAELP Cn1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)nn1 ZINC000390623698 540134107 /nfs/dbraw/zinc/13/41/07/540134107.db2.gz HLOMSWXVVFEGTA-ZNXRZULTSA-N 2 2 311.433 2.100 10 0 DEAELP Cc1[nH+]c2cc(CC(=O)N3CC[NH+](C)CC3)ccc2n1C(C)C ZINC000074975182 191399811 /nfs/dbraw/zinc/39/98/11/191399811.db2.gz PEFNIPQIXBORNX-UHFFFAOYSA-N 2 2 314.433 2.242 10 0 DEAELP Cc1[nH+]ccn1-c1cncc(N2CCC[C@H](c3[nH]cc[nH+]3)C2)n1 ZINC000091480162 355598626 /nfs/dbraw/zinc/59/86/26/355598626.db2.gz NDVIIICWSUVDIA-ZDUSSCGKSA-N 2 2 309.377 2.078 10 0 DEAELP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccccc1N(C)C ZINC000179403702 199029172 /nfs/dbraw/zinc/02/91/72/199029172.db2.gz SPOKPVFTGUVNMX-HZPDHXFCSA-N 2 2 305.466 2.250 10 0 DEAELP O=C(Nc1ccc2[nH+]ccn2c1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000606582736 361022846 /nfs/dbraw/zinc/02/28/46/361022846.db2.gz BEMOCLSGYFULGP-UHFFFAOYSA-N 2 2 322.372 2.083 10 0 DEAELP CCN(CC)C(=O)C[C@@H](C[NH3+])[N@@H+]1CCc2sccc2[C@@H]1C ZINC000091322848 193040239 /nfs/dbraw/zinc/04/02/39/193040239.db2.gz QIQCDHLGJKLSDW-STQMWFEESA-N 2 2 309.479 2.253 10 0 DEAELP CCN(CC)C(=O)C[C@@H](C[NH3+])[N@H+]1CCc2sccc2[C@@H]1C ZINC000091322848 193040242 /nfs/dbraw/zinc/04/02/42/193040242.db2.gz QIQCDHLGJKLSDW-STQMWFEESA-N 2 2 309.479 2.253 10 0 DEAELP C[NH2+][C@H](c1cc(Cl)ccc1OC)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721311 193096986 /nfs/dbraw/zinc/09/69/86/193096986.db2.gz RDSJSWZEAKLZAZ-DAXOMENPSA-N 2 2 310.825 2.472 10 0 DEAELP C[NH2+][C@H](c1cc(Cl)ccc1OC)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721311 193096988 /nfs/dbraw/zinc/09/69/88/193096988.db2.gz RDSJSWZEAKLZAZ-DAXOMENPSA-N 2 2 310.825 2.472 10 0 DEAELP [NH3+]C[C@H]1CC[C@@H](C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)O1 ZINC000261709079 203098211 /nfs/dbraw/zinc/09/82/11/203098211.db2.gz BUTASSXDYWCJOR-CVEARBPZSA-N 2 2 313.357 2.319 10 0 DEAELP Cc1cc(C)n2c(C[NH+](C)[C@@H]3CC[N@H+](C)[C@H](C)C3)cnc2n1 ZINC000093644359 193282625 /nfs/dbraw/zinc/28/26/25/193282625.db2.gz WVFMVTJDYVVOFN-UKRRQHHQSA-N 2 2 301.438 2.261 10 0 DEAELP Cc1cc(C)n2c(C[NH+](C)[C@@H]3CC[N@@H+](C)[C@H](C)C3)cnc2n1 ZINC000093644359 193282626 /nfs/dbraw/zinc/28/26/26/193282626.db2.gz WVFMVTJDYVVOFN-UKRRQHHQSA-N 2 2 301.438 2.261 10 0 DEAELP Cc1cc(C)n2c(C[N@@H+](C)[C@@H]3CC[NH+](C)[C@H](C)C3)cnc2n1 ZINC000093644359 193282628 /nfs/dbraw/zinc/28/26/28/193282628.db2.gz WVFMVTJDYVVOFN-UKRRQHHQSA-N 2 2 301.438 2.261 10 0 DEAELP Cc1cc(C)n2c(C[N@H+](C)[C@@H]3CC[NH+](C)[C@H](C)C3)cnc2n1 ZINC000093644359 193282630 /nfs/dbraw/zinc/28/26/30/193282630.db2.gz WVFMVTJDYVVOFN-UKRRQHHQSA-N 2 2 301.438 2.261 10 0 DEAELP C[NH2+][C@@H](Cc1csc2ccccc12)[C@H]1C[N@H+](C)CCN1C ZINC000093894374 193324115 /nfs/dbraw/zinc/32/41/15/193324115.db2.gz REZTZWMFEFAOAL-JKSUJKDBSA-N 2 2 303.475 2.278 10 0 DEAELP C[NH2+][C@@H](Cc1csc2ccccc12)[C@H]1C[N@@H+](C)CCN1C ZINC000093894374 193324116 /nfs/dbraw/zinc/32/41/16/193324116.db2.gz REZTZWMFEFAOAL-JKSUJKDBSA-N 2 2 303.475 2.278 10 0 DEAELP CC[NH2+][C@@H](Cc1ccc(Cl)s1)[C@H]1C[N@H+](C)CCN1C ZINC000093895617 193324685 /nfs/dbraw/zinc/32/46/85/193324685.db2.gz XGDQPJFLRBZFIR-QWHCGFSZSA-N 2 2 301.887 2.168 10 0 DEAELP CC[NH2+][C@@H](Cc1ccc(Cl)s1)[C@H]1C[N@@H+](C)CCN1C ZINC000093895617 193324687 /nfs/dbraw/zinc/32/46/87/193324687.db2.gz XGDQPJFLRBZFIR-QWHCGFSZSA-N 2 2 301.887 2.168 10 0 DEAELP C[NH2+][C@H](c1ccc(C(F)(F)F)cc1)[C@H]1C[N@H+](C)CCN1C ZINC000093894770 193325866 /nfs/dbraw/zinc/32/58/66/193325866.db2.gz QBKZXIIGKNUKKO-ZIAGYGMSSA-N 2 2 301.356 2.212 10 0 DEAELP C[NH2+][C@H](c1ccc(C(F)(F)F)cc1)[C@H]1C[N@@H+](C)CCN1C ZINC000093894770 193325868 /nfs/dbraw/zinc/32/58/68/193325868.db2.gz QBKZXIIGKNUKKO-ZIAGYGMSSA-N 2 2 301.356 2.212 10 0 DEAELP C[NH2+][C@@H](Cc1ccc(Cl)cc1Cl)[C@H]1C[NH+]2CCN1CC2 ZINC000094509283 193375124 /nfs/dbraw/zinc/37/51/24/193375124.db2.gz VISLGOLUGQCNRQ-LSDHHAIUSA-N 2 2 314.260 2.124 10 0 DEAELP C[N@H+](Cc1ccc(Br)cc1)C1(C[NH3+])CCOCC1 ZINC000042439830 183269995 /nfs/dbraw/zinc/26/99/95/183269995.db2.gz QIYIUJGIURBHJE-UHFFFAOYSA-N 2 2 313.239 2.389 10 0 DEAELP C[N@@H+](Cc1ccc(Br)cc1)C1(C[NH3+])CCOCC1 ZINC000042439830 183269997 /nfs/dbraw/zinc/26/99/97/183269997.db2.gz QIYIUJGIURBHJE-UHFFFAOYSA-N 2 2 313.239 2.389 10 0 DEAELP C[N@H+](Cc1cccc(Br)c1)C1(C[NH3+])CCOCC1 ZINC000042440346 183270150 /nfs/dbraw/zinc/27/01/50/183270150.db2.gz UGJJCONYWYJQPJ-UHFFFAOYSA-N 2 2 313.239 2.389 10 0 DEAELP C[N@@H+](Cc1cccc(Br)c1)C1(C[NH3+])CCOCC1 ZINC000042440346 183270153 /nfs/dbraw/zinc/27/01/53/183270153.db2.gz UGJJCONYWYJQPJ-UHFFFAOYSA-N 2 2 313.239 2.389 10 0 DEAELP Cc1cc(NS(=O)(=O)[C@H]2CCC[NH2+]C2)c2ccccc2[nH+]1 ZINC000042341386 183256160 /nfs/dbraw/zinc/25/61/60/183256160.db2.gz TYLXXVFJQYHLMV-LBPRGKRZSA-N 2 2 305.403 2.037 10 0 DEAELP CC[NH+]1CCC([N@H+](C)Cc2ccc(C(N)=S)cc2F)CC1 ZINC000042679855 183296396 /nfs/dbraw/zinc/29/63/96/183296396.db2.gz BQLCJDQRCKDTPH-UHFFFAOYSA-N 2 2 309.454 2.376 10 0 DEAELP CC[NH+]1CCC([N@@H+](C)Cc2ccc(C(N)=S)cc2F)CC1 ZINC000042679855 183296398 /nfs/dbraw/zinc/29/63/98/183296398.db2.gz BQLCJDQRCKDTPH-UHFFFAOYSA-N 2 2 309.454 2.376 10 0 DEAELP CCC[N@H+](CCO)[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000042954328 183321429 /nfs/dbraw/zinc/32/14/29/183321429.db2.gz RHHAOTDOHMDEPD-ZDUSSCGKSA-N 2 2 301.228 2.153 10 0 DEAELP CCC[N@@H+](CCO)[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000042954328 183321431 /nfs/dbraw/zinc/32/14/31/183321431.db2.gz RHHAOTDOHMDEPD-ZDUSSCGKSA-N 2 2 301.228 2.153 10 0 DEAELP C[NH+](C)[C@@H](C(=O)N1CC[NH+](CC(C)(C)C)CC1)c1ccccc1 ZINC000062455695 184237408 /nfs/dbraw/zinc/23/74/08/184237408.db2.gz DCOLSUVBTZMYMG-QGZVFWFLSA-N 2 2 317.477 2.480 10 0 DEAELP CCC(=O)N1CC[NH+](C2(c3ccccc3)CC[NH+](C)CC2)CC1 ZINC000062554775 184242403 /nfs/dbraw/zinc/24/24/03/184242403.db2.gz OIMQNCGJPZKWEG-UHFFFAOYSA-N 2 2 315.461 2.162 10 0 DEAELP CCC[C@@]1(C[NH+]2CCN(CC(F)(F)F)CC2)CCC[NH2+]C1 ZINC000062868037 184257132 /nfs/dbraw/zinc/25/71/32/184257132.db2.gz KMYXMUWOBLHIGX-CQSZACIVSA-N 2 2 307.404 2.336 10 0 DEAELP Cc1cc([C@@H](C[NH3+])[N@@H+](C)[C@@H]2CCOC2)ccc1Br ZINC000158668630 197292668 /nfs/dbraw/zinc/29/26/68/197292668.db2.gz YLBLCRCKOTTXAM-TZMCWYRMSA-N 2 2 313.239 2.478 10 0 DEAELP Cc1cc([C@@H](C[NH3+])[N@H+](C)[C@@H]2CCOC2)ccc1Br ZINC000158668630 197292670 /nfs/dbraw/zinc/29/26/70/197292670.db2.gz YLBLCRCKOTTXAM-TZMCWYRMSA-N 2 2 313.239 2.478 10 0 DEAELP OCC[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000188002801 207369462 /nfs/dbraw/zinc/36/94/62/207369462.db2.gz KKMDDVQDXHUNDT-FUHWJXTLSA-N 2 2 303.450 2.187 10 0 DEAELP CCCn1c(C)nnc1C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000159137339 197330164 /nfs/dbraw/zinc/33/01/64/197330164.db2.gz RQPIUQLMZZATLH-HNNXBMFYSA-N 2 2 314.437 2.326 10 0 DEAELP CCCn1c(C)nnc1C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000159137339 197330165 /nfs/dbraw/zinc/33/01/65/197330165.db2.gz RQPIUQLMZZATLH-HNNXBMFYSA-N 2 2 314.437 2.326 10 0 DEAELP COCCOc1ccc(C[NH2+]CC[N@H+]2CC=C(C)CC2)cc1 ZINC000358172773 133126120 /nfs/dbraw/zinc/12/61/20/133126120.db2.gz VBWQHULBVXFPOJ-UHFFFAOYSA-N 2 2 304.434 2.453 10 0 DEAELP COCCOc1ccc(C[NH2+]CC[N@@H+]2CC=C(C)CC2)cc1 ZINC000358172773 133126121 /nfs/dbraw/zinc/12/61/21/133126121.db2.gz VBWQHULBVXFPOJ-UHFFFAOYSA-N 2 2 304.434 2.453 10 0 DEAELP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3nc(N)c4ccccc4n3)CC[C@H]21 ZINC000246613724 145109096 /nfs/dbraw/zinc/10/90/96/145109096.db2.gz DQYLDZGPAQNNPY-CZUORRHYSA-N 2 2 311.433 2.128 10 0 DEAELP C[N@H+]1CCC[C@@H]2C[NH+](Cc3nc(N)c4ccccc4n3)CC[C@H]21 ZINC000246613724 145109097 /nfs/dbraw/zinc/10/90/97/145109097.db2.gz DQYLDZGPAQNNPY-CZUORRHYSA-N 2 2 311.433 2.128 10 0 DEAELP C[NH+]1CCC[C@@H]2C[N@H+](Cc3nc(N)c4ccccc4n3)CC[C@H]21 ZINC000246613724 145109098 /nfs/dbraw/zinc/10/90/98/145109098.db2.gz DQYLDZGPAQNNPY-CZUORRHYSA-N 2 2 311.433 2.128 10 0 DEAELP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3nc(N)c4ccccc4n3)CC[C@H]21 ZINC000246613724 145109099 /nfs/dbraw/zinc/10/90/99/145109099.db2.gz DQYLDZGPAQNNPY-CZUORRHYSA-N 2 2 311.433 2.128 10 0 DEAELP CCCOC(=O)[C@H](C)[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000247035610 145124621 /nfs/dbraw/zinc/12/46/21/145124621.db2.gz VCQBXSYIQPJUCO-GJZGRUSLSA-N 2 2 305.422 2.466 10 0 DEAELP CCCOC(=O)[C@H](C)[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000247035610 145124622 /nfs/dbraw/zinc/12/46/22/145124622.db2.gz VCQBXSYIQPJUCO-GJZGRUSLSA-N 2 2 305.422 2.466 10 0 DEAELP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)Nc3cc(F)cc(F)c3)CC[C@H]21 ZINC000247974724 145146948 /nfs/dbraw/zinc/14/69/48/145146948.db2.gz HQDQXQKIWGJZEP-MLGOLLRUSA-N 2 2 323.387 2.319 10 0 DEAELP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)Nc3cc(F)cc(F)c3)CC[C@H]21 ZINC000247974724 145146949 /nfs/dbraw/zinc/14/69/49/145146949.db2.gz HQDQXQKIWGJZEP-MLGOLLRUSA-N 2 2 323.387 2.319 10 0 DEAELP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)Nc3cc(F)cc(F)c3)CC[C@H]21 ZINC000247974724 145146951 /nfs/dbraw/zinc/14/69/51/145146951.db2.gz HQDQXQKIWGJZEP-MLGOLLRUSA-N 2 2 323.387 2.319 10 0 DEAELP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)Nc3cc(F)cc(F)c3)CC[C@H]21 ZINC000247974724 145146953 /nfs/dbraw/zinc/14/69/53/145146953.db2.gz HQDQXQKIWGJZEP-MLGOLLRUSA-N 2 2 323.387 2.319 10 0 DEAELP Cc1cc(=O)[nH]c([C@H](C)[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)n1 ZINC000248719097 145164858 /nfs/dbraw/zinc/16/48/58/145164858.db2.gz GBYGUYOOPBDPBX-KBPBESRZSA-N 2 2 313.405 2.381 10 0 DEAELP Cc1cc(=O)[nH]c([C@H](C)[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)n1 ZINC000248719097 145164860 /nfs/dbraw/zinc/16/48/60/145164860.db2.gz GBYGUYOOPBDPBX-KBPBESRZSA-N 2 2 313.405 2.381 10 0 DEAELP CCCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249858690 145190903 /nfs/dbraw/zinc/19/09/03/145190903.db2.gz FCUKZMQSGUBTEO-GJZGRUSLSA-N 2 2 304.438 2.120 10 0 DEAELP CCCCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249858690 145190904 /nfs/dbraw/zinc/19/09/04/145190904.db2.gz FCUKZMQSGUBTEO-GJZGRUSLSA-N 2 2 304.438 2.120 10 0 DEAELP CC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249805998 145191096 /nfs/dbraw/zinc/19/10/96/145191096.db2.gz BFPAPIHJEYMPMR-ZNMIVQPWSA-N 2 2 304.438 2.119 10 0 DEAELP CC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249805998 145191099 /nfs/dbraw/zinc/19/10/99/145191099.db2.gz BFPAPIHJEYMPMR-ZNMIVQPWSA-N 2 2 304.438 2.119 10 0 DEAELP CCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249858688 145191487 /nfs/dbraw/zinc/19/14/87/145191487.db2.gz FCUKZMQSGUBTEO-CABCVRRESA-N 2 2 304.438 2.120 10 0 DEAELP CCCCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249858688 145191489 /nfs/dbraw/zinc/19/14/89/145191489.db2.gz FCUKZMQSGUBTEO-CABCVRRESA-N 2 2 304.438 2.120 10 0 DEAELP C[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261790741 145226576 /nfs/dbraw/zinc/22/65/76/145226576.db2.gz NMMKSLSHCNJYTJ-SWLSCSKDSA-N 2 2 323.868 2.404 10 0 DEAELP C[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261790741 145226578 /nfs/dbraw/zinc/22/65/78/145226578.db2.gz NMMKSLSHCNJYTJ-SWLSCSKDSA-N 2 2 323.868 2.404 10 0 DEAELP C[C@@H]1CCC[C@H](NC(=O)C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1C ZINC000261859939 145234524 /nfs/dbraw/zinc/23/45/24/145234524.db2.gz FPPWTLOOLQMPMP-VZSUBVHGSA-N 2 2 307.482 2.142 10 0 DEAELP C[C@@H]1CCC[C@H](NC(=O)C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1C ZINC000261859939 145234526 /nfs/dbraw/zinc/23/45/26/145234526.db2.gz FPPWTLOOLQMPMP-VZSUBVHGSA-N 2 2 307.482 2.142 10 0 DEAELP C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)C[C@H](C)[NH3+])CC1 ZINC000261858360 145234641 /nfs/dbraw/zinc/23/46/41/145234641.db2.gz PLXRHIDIGVAKFD-QWHCGFSZSA-N 2 2 309.841 2.283 10 0 DEAELP c1sc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)nc1C1CC1 ZINC000261995513 145251535 /nfs/dbraw/zinc/25/15/35/145251535.db2.gz TZCUMPKSJBHTDZ-MJBXVCDLSA-N 2 2 307.463 2.267 10 0 DEAELP C[N@H+](C[C@@]1(C)CC[NH2+]C1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000262057766 145257360 /nfs/dbraw/zinc/25/73/60/145257360.db2.gz QUKJRIYUURSDOK-RDJZCZTQSA-N 2 2 321.852 2.377 10 0 DEAELP C[N@@H+](C[C@@]1(C)CC[NH2+]C1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000262057766 145257362 /nfs/dbraw/zinc/25/73/62/145257362.db2.gz QUKJRIYUURSDOK-RDJZCZTQSA-N 2 2 321.852 2.377 10 0 DEAELP CC(C)Cc1ccc([C@@H](CNC2=[NH+]CCCN2)[NH+](C)C)cc1 ZINC000262338189 145277847 /nfs/dbraw/zinc/27/78/47/145277847.db2.gz XQNLDDUDXGXVRL-QGZVFWFLSA-N 2 2 302.466 2.427 10 0 DEAELP COc1cc(C[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cc(OC)c1OC ZINC000262538394 145291535 /nfs/dbraw/zinc/29/15/35/145291535.db2.gz QSVBNEAEULNXCO-OAHLLOKOSA-N 2 2 308.422 2.272 10 0 DEAELP COc1cc(C[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cc(OC)c1OC ZINC000262538394 145291537 /nfs/dbraw/zinc/29/15/37/145291537.db2.gz QSVBNEAEULNXCO-OAHLLOKOSA-N 2 2 308.422 2.272 10 0 DEAELP CC[NH+](CC)CCNC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000372386880 148202113 /nfs/dbraw/zinc/20/21/13/148202113.db2.gz NDVHSBNHTBTRAR-ZDUSSCGKSA-N 2 2 306.454 2.096 10 0 DEAELP CC[NH+](CC)CCNC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000372386880 148202116 /nfs/dbraw/zinc/20/21/16/148202116.db2.gz NDVHSBNHTBTRAR-ZDUSSCGKSA-N 2 2 306.454 2.096 10 0 DEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000074535520 401741959 /nfs/dbraw/zinc/74/19/59/401741959.db2.gz ZLOHUPXCKGKSJT-HNNXBMFYSA-N 2 2 321.469 2.021 10 0 DEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N1CC[N@@H+](C)C[C@H]1C(C)C ZINC000074535520 401741961 /nfs/dbraw/zinc/74/19/61/401741961.db2.gz ZLOHUPXCKGKSJT-HNNXBMFYSA-N 2 2 321.469 2.021 10 0 DEAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)c2ccncc2)nc[nH+]1 ZINC000111227151 401701409 /nfs/dbraw/zinc/70/14/09/401701409.db2.gz NBPAKKRERLVBBF-ZFWWWQNUSA-N 2 2 312.421 2.233 10 0 DEAELP Cc1cccc(N2CCC([NH2+][C@H]3CC[N@H+](C)[C@H](C)C3)CC2)[nH+]1 ZINC000128082233 401762185 /nfs/dbraw/zinc/76/21/85/401762185.db2.gz NZFFQFCIHUSDLO-WBVHZDCISA-N 3 2 302.466 2.431 10 0 DEAELP Cc1cccc(N2CCC([NH2+][C@H]3CC[N@@H+](C)[C@H](C)C3)CC2)[nH+]1 ZINC000128082233 401762188 /nfs/dbraw/zinc/76/21/88/401762188.db2.gz NZFFQFCIHUSDLO-WBVHZDCISA-N 3 2 302.466 2.431 10 0 DEAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1nc2ccccc2n1C ZINC000091318956 401996271 /nfs/dbraw/zinc/99/62/71/401996271.db2.gz MVIZEKFTCVPOCF-CABCVRRESA-N 2 2 316.449 2.335 10 0 DEAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1nc2ccccc2n1C ZINC000091318956 401996272 /nfs/dbraw/zinc/99/62/72/401996272.db2.gz MVIZEKFTCVPOCF-CABCVRRESA-N 2 2 316.449 2.335 10 0 DEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000121657374 402047736 /nfs/dbraw/zinc/04/77/36/402047736.db2.gz ASINWUJJVLCFAI-CABCVRRESA-N 2 2 321.469 2.067 10 0 DEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000121657374 402047737 /nfs/dbraw/zinc/04/77/37/402047737.db2.gz ASINWUJJVLCFAI-CABCVRRESA-N 2 2 321.469 2.067 10 0 DEAELP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2)C1 ZINC000123649187 402139886 /nfs/dbraw/zinc/13/98/86/402139886.db2.gz ZZPYPXFVQISRMI-HNNXBMFYSA-N 2 2 312.417 2.313 10 0 DEAELP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2)C1 ZINC000123649187 402139887 /nfs/dbraw/zinc/13/98/87/402139887.db2.gz ZZPYPXFVQISRMI-HNNXBMFYSA-N 2 2 312.417 2.313 10 0 DEAELP CC(C)C[C@H](C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000184717170 402294393 /nfs/dbraw/zinc/29/43/93/402294393.db2.gz QKVQYDZYPFUMPQ-HNNXBMFYSA-N 2 2 309.498 2.343 10 0 DEAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)c2ccccn2)nc[nH+]1 ZINC000177125783 402372409 /nfs/dbraw/zinc/37/24/09/402372409.db2.gz ZFUIQSGNJRGQSW-KBPBESRZSA-N 2 2 312.421 2.233 10 0 DEAELP C[C@@]([NH3+])(C(=O)NC1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000237364895 402405640 /nfs/dbraw/zinc/40/56/40/402405640.db2.gz OYDKMUHMZMDQFE-IBGZPJMESA-N 2 2 324.428 2.041 10 0 DEAELP C[NH+]1CCC(CNC(=O)[C@H]2C[C@H]2C2CC2)([NH+]2CCCCC2)CC1 ZINC000177471940 402406862 /nfs/dbraw/zinc/40/68/62/402406862.db2.gz UPXSHSJTRWEVGO-IRXDYDNUSA-N 2 2 319.493 2.099 10 0 DEAELP [NH3+][C@@H]1CCC[C@H](C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000237900462 402425163 /nfs/dbraw/zinc/42/51/63/402425163.db2.gz VAATZUUPYJJHMB-JKSUJKDBSA-N 2 2 316.449 2.206 10 0 DEAELP Cc1[nH+]c2ccccc2n1CC(=O)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186527500 402439235 /nfs/dbraw/zinc/43/92/35/402439235.db2.gz AJOBNTBXAPMXSR-CQSZACIVSA-N 2 2 312.417 2.088 10 0 DEAELP NC(=O)c1coc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1 ZINC000187734657 402510135 /nfs/dbraw/zinc/51/01/35/402510135.db2.gz UHJTVJWYUFWWKQ-UHFFFAOYSA-N 2 2 305.422 2.265 10 0 DEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NCc2ccc(C)cc2)[C@@H](C)C1 ZINC000245412427 402457790 /nfs/dbraw/zinc/45/77/90/402457790.db2.gz AODWAGPORBKMMD-WMZOPIPTSA-N 2 2 317.477 2.273 10 0 DEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NCc2ccc(C)cc2)[C@@H](C)C1 ZINC000245412427 402457794 /nfs/dbraw/zinc/45/77/94/402457794.db2.gz AODWAGPORBKMMD-WMZOPIPTSA-N 2 2 317.477 2.273 10 0 DEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NCc2ccc(C)cc2)[C@@H](C)C1 ZINC000245412427 402457796 /nfs/dbraw/zinc/45/77/96/402457796.db2.gz AODWAGPORBKMMD-WMZOPIPTSA-N 2 2 317.477 2.273 10 0 DEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NCc2ccc(C)cc2)[C@@H](C)C1 ZINC000245412427 402457799 /nfs/dbraw/zinc/45/77/99/402457799.db2.gz AODWAGPORBKMMD-WMZOPIPTSA-N 2 2 317.477 2.273 10 0 DEAELP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(c3ccccc3)C2=O)CC[N@@H+]1C ZINC000178249262 402476092 /nfs/dbraw/zinc/47/60/92/402476092.db2.gz HOEVJANQEHCNJW-HLLBOEOZSA-N 2 2 301.434 2.254 10 0 DEAELP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(c3ccccc3)C2=O)CC[N@H+]1C ZINC000178249262 402476095 /nfs/dbraw/zinc/47/60/95/402476095.db2.gz HOEVJANQEHCNJW-HLLBOEOZSA-N 2 2 301.434 2.254 10 0 DEAELP C[NH+](C)C1CC[NH+](CCOCC(F)(F)C(F)(F)F)CC1 ZINC000188726433 402524656 /nfs/dbraw/zinc/52/46/56/402524656.db2.gz FTZLROIECCBCFR-UHFFFAOYSA-N 2 2 304.303 2.227 10 0 DEAELP Cc1cc(=O)[nH]c([C@@H](C)[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)n1 ZINC000248719101 402604790 /nfs/dbraw/zinc/60/47/90/402604790.db2.gz GBYGUYOOPBDPBX-KGLIPLIRSA-N 2 2 313.405 2.381 10 0 DEAELP Cc1cc(=O)[nH]c([C@@H](C)[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)n1 ZINC000248719101 402604791 /nfs/dbraw/zinc/60/47/91/402604791.db2.gz GBYGUYOOPBDPBX-KGLIPLIRSA-N 2 2 313.405 2.381 10 0 DEAELP Cc1c([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)cnn1C(C)(C)C ZINC000191202963 402650468 /nfs/dbraw/zinc/65/04/68/402650468.db2.gz ZTOLGECSZLSKEW-GDBMZVCRSA-N 2 2 322.497 2.444 10 0 DEAELP C1CCC([NH+]2CCC([NH2+][C@H]3CCC[C@H]3[C@H]3COCC[NH2+]3)CC2)C1 ZINC000261841629 402718129 /nfs/dbraw/zinc/71/81/29/402718129.db2.gz ALSGZBGVWISSNO-CEXWTWQISA-N 3 2 321.509 2.140 10 0 DEAELP Cc1ccoc1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000172751573 402673714 /nfs/dbraw/zinc/67/37/14/402673714.db2.gz TWTICUQGPGFWRC-UHFFFAOYSA-N 2 2 319.449 2.268 10 0 DEAELP C[C@H]([NH3+])CC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000261900073 402719538 /nfs/dbraw/zinc/71/95/38/402719538.db2.gz YTWSJJUQZMHAPY-FGEZKYSXSA-N 2 2 313.804 2.078 10 0 DEAELP C[C@H]([NH3+])CC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000261900073 402719540 /nfs/dbraw/zinc/71/95/40/402719540.db2.gz YTWSJJUQZMHAPY-FGEZKYSXSA-N 2 2 313.804 2.078 10 0 DEAELP C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)sc(=O)n3C)C[N@@H+]1C1CC1 ZINC000192626674 402740904 /nfs/dbraw/zinc/74/09/04/402740904.db2.gz YPZLGRXPHUGVLW-DGCLKSJQSA-N 2 2 317.458 2.315 10 0 DEAELP C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)sc(=O)n3C)C[N@H+]1C1CC1 ZINC000192626674 402740905 /nfs/dbraw/zinc/74/09/05/402740905.db2.gz YPZLGRXPHUGVLW-DGCLKSJQSA-N 2 2 317.458 2.315 10 0 DEAELP C[C@]1([NH3+])CCCC[C@H]1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000263228084 402748157 /nfs/dbraw/zinc/74/81/57/402748157.db2.gz NBMFXVXAPCBBHF-YJBOKZPZSA-N 2 2 316.449 2.074 10 0 DEAELP C[C@H]1CC[C@H](C)[N@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000174013773 402723539 /nfs/dbraw/zinc/72/35/39/402723539.db2.gz UQSFVIZOCHBGCN-HOTGVXAUSA-N 2 2 319.449 2.044 10 0 DEAELP C[C@H]1CC[C@H](C)[N@@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000174013773 402723542 /nfs/dbraw/zinc/72/35/42/402723542.db2.gz UQSFVIZOCHBGCN-HOTGVXAUSA-N 2 2 319.449 2.044 10 0 DEAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N(C)Cc2cccs2)[C@H](C)C1 ZINC000175728964 402827283 /nfs/dbraw/zinc/82/72/83/402827283.db2.gz GOCOIBJTNDPKER-GDBMZVCRSA-N 2 2 323.506 2.369 10 0 DEAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N(C)Cc2cccs2)[C@H](C)C1 ZINC000175728964 402827284 /nfs/dbraw/zinc/82/72/84/402827284.db2.gz GOCOIBJTNDPKER-GDBMZVCRSA-N 2 2 323.506 2.369 10 0 DEAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N(C)Cc2cccs2)[C@H](C)C1 ZINC000175728964 402827285 /nfs/dbraw/zinc/82/72/85/402827285.db2.gz GOCOIBJTNDPKER-GDBMZVCRSA-N 2 2 323.506 2.369 10 0 DEAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N(C)Cc2cccs2)[C@H](C)C1 ZINC000175728964 402827287 /nfs/dbraw/zinc/82/72/87/402827287.db2.gz GOCOIBJTNDPKER-GDBMZVCRSA-N 2 2 323.506 2.369 10 0 DEAELP C[N@@H+]1CCC[C@H]1C[NH2+]C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000195195166 402835790 /nfs/dbraw/zinc/83/57/90/402835790.db2.gz PDGIWWZIJFHUMB-YOEHRIQHSA-N 2 2 311.470 2.317 10 0 DEAELP C[N@H+]1CCC[C@H]1C[NH2+]C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000195195166 402835793 /nfs/dbraw/zinc/83/57/93/402835793.db2.gz PDGIWWZIJFHUMB-YOEHRIQHSA-N 2 2 311.470 2.317 10 0 DEAELP CC1CCN(C(=O)C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)CC1 ZINC000195515687 402848929 /nfs/dbraw/zinc/84/89/29/402848929.db2.gz QFMGUWTXWKJINQ-MRXNPFEDSA-N 2 2 316.449 2.074 10 0 DEAELP CC1CCN(C(=O)C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)CC1 ZINC000195515687 402848930 /nfs/dbraw/zinc/84/89/30/402848930.db2.gz QFMGUWTXWKJINQ-MRXNPFEDSA-N 2 2 316.449 2.074 10 0 DEAELP C[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH+](Cc1cc[nH]n1)CC2 ZINC000275556382 403105678 /nfs/dbraw/zinc/10/56/78/403105678.db2.gz GGISCCCSONLXIC-CQSZACIVSA-N 2 2 317.462 2.353 10 0 DEAELP C[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH+](Cc1cc[nH]n1)CC2 ZINC000275556382 403105679 /nfs/dbraw/zinc/10/56/79/403105679.db2.gz GGISCCCSONLXIC-CQSZACIVSA-N 2 2 317.462 2.353 10 0 DEAELP CSCCC[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000361052325 404895736 /nfs/dbraw/zinc/89/57/36/404895736.db2.gz NXEVAAAZNPIXGX-KBPBESRZSA-N 2 2 314.474 2.017 10 0 DEAELP CSCCC[N@@H+](C)C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000361052325 404895739 /nfs/dbraw/zinc/89/57/39/404895739.db2.gz NXEVAAAZNPIXGX-KBPBESRZSA-N 2 2 314.474 2.017 10 0 DEAELP c1[nH+]c([C@H]2CCC[N@@H+](CC[C@H]3CC[NH2+]C3)C2)n2c1CCCC2 ZINC000420378951 405338256 /nfs/dbraw/zinc/33/82/56/405338256.db2.gz UURKKIMUMUCYKZ-CVEARBPZSA-N 3 2 302.466 2.398 10 0 DEAELP c1[nH+]c([C@H]2CCC[N@H+](CC[C@H]3CC[NH2+]C3)C2)n2c1CCCC2 ZINC000420378951 405338258 /nfs/dbraw/zinc/33/82/58/405338258.db2.gz UURKKIMUMUCYKZ-CVEARBPZSA-N 3 2 302.466 2.398 10 0 DEAELP c1ccc(N2CC[NH+](CCC[N@@H+]3CC[C@]34CCOC4)CC2)cc1 ZINC000421018699 405431658 /nfs/dbraw/zinc/43/16/58/405431658.db2.gz LNVSVJSYRHAXDX-LJQANCHMSA-N 2 2 315.461 2.064 10 0 DEAELP c1ccc(N2CC[NH+](CCC[N@H+]3CC[C@]34CCOC4)CC2)cc1 ZINC000421018699 405431661 /nfs/dbraw/zinc/43/16/61/405431661.db2.gz LNVSVJSYRHAXDX-LJQANCHMSA-N 2 2 315.461 2.064 10 0 DEAELP Cn1ccc([C@@H]([NH2+]CCc2c[nH+]cn2C)c2ccc(F)cc2)n1 ZINC000530355026 405786588 /nfs/dbraw/zinc/78/65/88/405786588.db2.gz VLTNDNIGSPNDFW-KRWDZBQOSA-N 2 2 313.380 2.214 10 0 DEAELP C[C@@H](C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)S(C)(=O)=O ZINC000450352800 405852460 /nfs/dbraw/zinc/85/24/60/405852460.db2.gz ZSXNAZYTZNXMPW-JKSUJKDBSA-N 2 2 316.511 2.008 10 0 DEAELP C[C@@H](C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)S(C)(=O)=O ZINC000450352800 405852468 /nfs/dbraw/zinc/85/24/68/405852468.db2.gz ZSXNAZYTZNXMPW-JKSUJKDBSA-N 2 2 316.511 2.008 10 0 DEAELP C[C@H](CC[NH2+]C1CC[NH+](Cc2ccccc2)CC1)[S@](C)=O ZINC000129456608 196050439 /nfs/dbraw/zinc/05/04/39/196050439.db2.gz OUSXSOBKBGKLII-QVKFZJNVSA-N 2 2 308.491 2.398 10 0 DEAELP COc1ccc(C(N)=[NH2+])cc1C[N@H+](C)Cc1scnc1C ZINC000130890181 196119359 /nfs/dbraw/zinc/11/93/59/196119359.db2.gz HXDVNSBZVHIOEZ-UHFFFAOYSA-N 2 2 304.419 2.376 10 0 DEAELP COc1ccc(C(N)=[NH2+])cc1C[N@@H+](C)Cc1scnc1C ZINC000130890181 196119362 /nfs/dbraw/zinc/11/93/62/196119362.db2.gz HXDVNSBZVHIOEZ-UHFFFAOYSA-N 2 2 304.419 2.376 10 0 DEAELP c1ccc2nc(CC[NH2+][C@H](C3CC3)[C@H]3C[NH2+]CCO3)ccc2c1 ZINC000422792514 230211429 /nfs/dbraw/zinc/21/14/29/230211429.db2.gz ZIRYUDVRUIOMPB-RTBURBONSA-N 2 2 311.429 2.134 10 0 DEAELP c1ccc2nc(CC[NH2+][C@H](C3CC3)[C@@H]3C[NH2+]CCO3)ccc2c1 ZINC000422792511 230211965 /nfs/dbraw/zinc/21/19/65/230211965.db2.gz ZIRYUDVRUIOMPB-RBUKOAKNSA-N 2 2 311.429 2.134 10 0 DEAELP C[NH+](C)C1(C[NH2+]C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000397908764 269107523 /nfs/dbraw/zinc/10/75/23/269107523.db2.gz XFCFSGFPCMXVQB-AWEZNQCLSA-N 2 2 311.470 2.317 10 0 DEAELP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000398047016 269108031 /nfs/dbraw/zinc/10/80/31/269108031.db2.gz WDVTYVKTVFONIN-KCITZHQASA-N 3 2 301.478 2.485 10 0 DEAELP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000398047016 269108033 /nfs/dbraw/zinc/10/80/33/269108033.db2.gz WDVTYVKTVFONIN-KCITZHQASA-N 3 2 301.478 2.485 10 0 DEAELP O=C([C@H]1CCCn2cc[nH+]c21)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000081795642 275008418 /nfs/dbraw/zinc/00/84/18/275008418.db2.gz LUDPEEUTIXHMMS-INIZCTEOSA-N 2 2 316.449 2.237 10 0 DEAELP O=C([C@H]1CCCn2cc[nH+]c21)N1CCC[N@H+](C2CCCC2)CC1 ZINC000081795642 275008419 /nfs/dbraw/zinc/00/84/19/275008419.db2.gz LUDPEEUTIXHMMS-INIZCTEOSA-N 2 2 316.449 2.237 10 0 DEAELP CC(C)c1ccc(NC(=O)C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000262429691 276054700 /nfs/dbraw/zinc/05/47/00/276054700.db2.gz FSJKYDGTSOCKPH-HZPDHXFCSA-N 2 2 301.434 2.290 10 0 DEAELP CC(C)c1ccc(NC(=O)C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000262429691 276054702 /nfs/dbraw/zinc/05/47/02/276054702.db2.gz FSJKYDGTSOCKPH-HZPDHXFCSA-N 2 2 301.434 2.290 10 0 DEAELP CC[NH+](CC)[C@H](C[NH2+]C1CCN(C(N)=O)CC1)c1ccccc1 ZINC000123710157 276340458 /nfs/dbraw/zinc/34/04/58/276340458.db2.gz PSHLGZAKWLVOBZ-QGZVFWFLSA-N 2 2 318.465 2.202 10 0 DEAELP Cc1nc2c(s1)[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)CCC2 ZINC000151318986 279117091 /nfs/dbraw/zinc/11/70/91/279117091.db2.gz ZOMGULAINGDENM-KBPBESRZSA-N 2 2 309.479 2.265 10 0 DEAELP CC1(C)C[N@@H+]([C@H]2CCCN(c3ccccc3)C2=O)CC[C@H]1[NH3+] ZINC000261601173 281264652 /nfs/dbraw/zinc/26/46/52/281264652.db2.gz AEDVDHPRFINCTH-JKSUJKDBSA-N 2 2 301.434 2.241 10 0 DEAELP CC1(C)C[N@H+]([C@H]2CCCN(c3ccccc3)C2=O)CC[C@H]1[NH3+] ZINC000261601173 281264656 /nfs/dbraw/zinc/26/46/56/281264656.db2.gz AEDVDHPRFINCTH-JKSUJKDBSA-N 2 2 301.434 2.241 10 0 DEAELP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000103307202 519775128 /nfs/dbraw/zinc/77/51/28/519775128.db2.gz YPPYBDZCORBIQF-HNNXBMFYSA-N 2 2 321.469 2.206 10 0 DEAELP CCOc1ccccc1NC(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261617691 535522137 /nfs/dbraw/zinc/52/21/37/535522137.db2.gz AKSKLNZUNTVFCX-YIONKMFJSA-N 2 2 317.433 2.239 10 0 DEAELP CCOc1ccccc1NC(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261617691 535522141 /nfs/dbraw/zinc/52/21/41/535522141.db2.gz AKSKLNZUNTVFCX-YIONKMFJSA-N 2 2 317.433 2.239 10 0 DEAELP CNC(=O)c1ccc(C[N@H+](CC[NH3+])CCc2ccccc2)cc1 ZINC000261864996 536422090 /nfs/dbraw/zinc/42/20/90/536422090.db2.gz ZXQWCDPKPSWULB-UHFFFAOYSA-N 2 2 311.429 2.050 10 0 DEAELP CNC(=O)c1ccc(C[N@@H+](CC[NH3+])CCc2ccccc2)cc1 ZINC000261864996 536422093 /nfs/dbraw/zinc/42/20/93/536422093.db2.gz ZXQWCDPKPSWULB-UHFFFAOYSA-N 2 2 311.429 2.050 10 0 DEAELP COc1ccc(NC(=O)C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000247315584 536769416 /nfs/dbraw/zinc/76/94/16/536769416.db2.gz VSYADXDWQOVEOF-RHSMWYFYSA-N 2 2 317.433 2.050 10 0 DEAELP COc1ccc(NC(=O)C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000247315584 536769421 /nfs/dbraw/zinc/76/94/21/536769421.db2.gz VSYADXDWQOVEOF-RHSMWYFYSA-N 2 2 317.433 2.050 10 0 DEAELP COc1ccc(NC(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000247315584 536769425 /nfs/dbraw/zinc/76/94/25/536769425.db2.gz VSYADXDWQOVEOF-RHSMWYFYSA-N 2 2 317.433 2.050 10 0 DEAELP COc1ccc(NC(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000247315584 536769430 /nfs/dbraw/zinc/76/94/30/536769430.db2.gz VSYADXDWQOVEOF-RHSMWYFYSA-N 2 2 317.433 2.050 10 0 DEAELP C[C@@H]1OC[C@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)[C@@H]1C ZINC000405565024 802072247 /nfs/dbraw/zinc/07/22/47/802072247.db2.gz VBDYLLQEPHKUMY-JFRXWTBNSA-N 2 2 318.461 2.291 10 0 DEAELP C[C@@H]1OC[C@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)[C@@H]1C ZINC000405565024 802072255 /nfs/dbraw/zinc/07/22/55/802072255.db2.gz VBDYLLQEPHKUMY-JFRXWTBNSA-N 2 2 318.461 2.291 10 0 DEAELP c1cn(CCCC[NH2+]Cc2ccccc2N2CCOCC2)c[nH+]1 ZINC000066973785 1079869010 /nfs/dbraw/zinc/86/90/10/1079869010.db2.gz NSJIAVLKWYEKQI-UHFFFAOYSA-N 2 2 314.433 2.290 10 0 DEAELP CCC[NH+]1CCC([NH2+][C@H]2CON(C(=O)OC(C)(C)C)C2)CC1 ZINC000705599068 1086618046 /nfs/dbraw/zinc/61/80/46/1086618046.db2.gz PXTHKGQFCQWVHI-CQSZACIVSA-N 2 2 313.442 2.001 10 0 DEAELP C[NH+](C)CC[C@@H](NC(=O)[C@@H]1CCCn2cc[nH+]c21)C(C)(C)C ZINC000081764484 192321790 /nfs/dbraw/zinc/32/17/90/192321790.db2.gz PADQUUXSZUEPPT-ZIAGYGMSSA-N 2 2 306.454 2.243 10 0 DEAELP Cc1[nH+]ccn1CC[NH+]1CCN(Cc2cc(F)cc(F)c2)CC1 ZINC000077121756 185111086 /nfs/dbraw/zinc/11/10/86/185111086.db2.gz CYROAHQTIALBGQ-UHFFFAOYSA-N 2 2 320.387 2.288 10 0 DEAELP C[C@H](CCCO)[NH2+][C@H](C[NH3+])c1ccc(Br)s1 ZINC000087359078 185222570 /nfs/dbraw/zinc/22/25/70/185222570.db2.gz QHXZNZJRJOIJFA-RKDXNWHRSA-N 2 2 307.257 2.261 10 0 DEAELP COc1ccc(Br)c(C[N@H+](C)C[C@@H](C)C(N)=[NH2+])c1 ZINC000087789226 185231974 /nfs/dbraw/zinc/23/19/74/185231974.db2.gz PNSACJABJGMCHA-SECBINFHSA-N 2 2 314.227 2.462 10 0 DEAELP COc1ccc(Br)c(C[N@@H+](C)C[C@@H](C)C(N)=[NH2+])c1 ZINC000087789226 185231975 /nfs/dbraw/zinc/23/19/75/185231975.db2.gz PNSACJABJGMCHA-SECBINFHSA-N 2 2 314.227 2.462 10 0 DEAELP CCc1cc(N2CCCC[C@@H]2C[NH+]2CCOCC2)nc(C)[nH+]1 ZINC000302039172 529531083 /nfs/dbraw/zinc/53/10/83/529531083.db2.gz HANZYNVBMCRIDG-MRXNPFEDSA-N 2 2 304.438 2.039 10 0 DEAELP CC[C@@H](C[NH3+])S(=O)(=O)Nc1ccc([NH+]2CCCCC2)cc1 ZINC000088474046 185252129 /nfs/dbraw/zinc/25/21/29/185252129.db2.gz GIEWKYNGAVAZDI-HNNXBMFYSA-N 2 2 311.451 2.156 10 0 DEAELP C[C@H](C(=O)Nc1ccc(C[NH3+])cc1)[N@H+](C)CCC(F)(F)F ZINC000088417518 185249281 /nfs/dbraw/zinc/24/92/81/185249281.db2.gz UDDXCROBIXEHDS-SNVBAGLBSA-N 2 2 303.328 2.357 10 0 DEAELP C[C@H](C(=O)Nc1ccc(C[NH3+])cc1)[N@@H+](C)CCC(F)(F)F ZINC000088417518 185249282 /nfs/dbraw/zinc/24/92/82/185249282.db2.gz UDDXCROBIXEHDS-SNVBAGLBSA-N 2 2 303.328 2.357 10 0 DEAELP CC(C)[NH2+][C@](CO)(C[NH+]1CCC(C(F)(F)F)CC1)C1CC1 ZINC000088439706 185250759 /nfs/dbraw/zinc/25/07/59/185250759.db2.gz CLKMTYJPEORBHT-AWEZNQCLSA-N 2 2 308.388 2.400 10 0 DEAELP Clc1cccc(C[NH+]2CCN(C3C[NH2+]C3)CC2)c1Cl ZINC000090306538 185290131 /nfs/dbraw/zinc/29/01/31/185290131.db2.gz YJSSKQIDCFYGOJ-UHFFFAOYSA-N 2 2 300.233 2.083 10 0 DEAELP C[C@@H](c1cccc(Cl)c1)N(C)C(=O)C[NH+]1CCC([NH3+])CC1 ZINC000092714319 185335757 /nfs/dbraw/zinc/33/57/57/185335757.db2.gz OXXCSYHYUBDWDV-LBPRGKRZSA-N 2 2 309.841 2.283 10 0 DEAELP CSc1ccc([C@@H](C)NC(=O)C[NH+]2CCC([NH3+])CC2)cc1 ZINC000092713850 185335764 /nfs/dbraw/zinc/33/57/64/185335764.db2.gz YLUDVHYLBMUYKN-GFCCVEGCSA-N 2 2 307.463 2.009 10 0 DEAELP C[N@@H+](Cc1ccc(OC(F)(F)F)cc1)C[C@@H]1C[NH2+]CCO1 ZINC000125492384 539472929 /nfs/dbraw/zinc/47/29/29/539472929.db2.gz UCIAPVDKOUECEF-ZDUSSCGKSA-N 2 2 304.312 2.005 10 0 DEAELP C[N@H+](Cc1ccc(OC(F)(F)F)cc1)C[C@@H]1C[NH2+]CCO1 ZINC000125492384 539472932 /nfs/dbraw/zinc/47/29/32/539472932.db2.gz UCIAPVDKOUECEF-ZDUSSCGKSA-N 2 2 304.312 2.005 10 0 DEAELP Cc1ccc([C@H](O)c2c(Cl)cnn2CC[NH+](C)C)c(C)[nH+]1 ZINC000140167255 186026212 /nfs/dbraw/zinc/02/62/12/186026212.db2.gz RCAXQVQILZGYPR-HNNXBMFYSA-N 2 2 308.813 2.192 10 0 DEAELP CC(C)n1cc[nH+]c1CN1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000171933560 198010916 /nfs/dbraw/zinc/01/09/16/198010916.db2.gz LHFBJAWJAZMPIO-KRWDZBQOSA-N 2 2 319.497 2.066 10 0 DEAELP CC(C)n1cc[nH+]c1CN1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000171933560 198010918 /nfs/dbraw/zinc/01/09/18/198010918.db2.gz LHFBJAWJAZMPIO-KRWDZBQOSA-N 2 2 319.497 2.066 10 0 DEAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)c2ccoc2)nc[nH+]1 ZINC000180572829 356053289 /nfs/dbraw/zinc/05/32/89/356053289.db2.gz OUEDEORRBBDWRD-TZMCWYRMSA-N 2 2 301.394 2.431 10 0 DEAELP CC(C)[C@H](C)NC(=O)C1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000182743189 356143684 /nfs/dbraw/zinc/14/36/84/356143684.db2.gz KTGVXXMDDHZEDC-HNNXBMFYSA-N 2 2 306.454 2.146 10 0 DEAELP COC[C@H](C)C[N@@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000188648006 356214744 /nfs/dbraw/zinc/21/47/44/356214744.db2.gz SPZWSDJXTGWVGA-UKRRQHHQSA-N 2 2 311.495 2.488 10 0 DEAELP COC[C@H](C)C[N@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000188648006 356214747 /nfs/dbraw/zinc/21/47/47/356214747.db2.gz SPZWSDJXTGWVGA-UKRRQHHQSA-N 2 2 311.495 2.488 10 0 DEAELP COC[C@H](C)C[NH+]1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000188648006 356214748 /nfs/dbraw/zinc/21/47/48/356214748.db2.gz SPZWSDJXTGWVGA-UKRRQHHQSA-N 2 2 311.495 2.488 10 0 DEAELP COC[C@H](C)C[NH+]1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000188648006 356214750 /nfs/dbraw/zinc/21/47/50/356214750.db2.gz SPZWSDJXTGWVGA-UKRRQHHQSA-N 2 2 311.495 2.488 10 0 DEAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000400460066 283157134 /nfs/dbraw/zinc/15/71/34/283157134.db2.gz UGPNLICXDQDERL-KKUMJFAQSA-N 2 2 311.470 2.316 10 0 DEAELP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000400460066 283157139 /nfs/dbraw/zinc/15/71/39/283157139.db2.gz UGPNLICXDQDERL-KKUMJFAQSA-N 2 2 311.470 2.316 10 0 DEAELP C[C@H]([NH2+]CC[NH+]1CCCC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400509141 283157389 /nfs/dbraw/zinc/15/73/89/283157389.db2.gz KXBCIWMNDMAGEJ-LSDHHAIUSA-N 2 2 311.470 2.317 10 0 DEAELP CCCCNC(=O)C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180659361 199192783 /nfs/dbraw/zinc/19/27/83/199192783.db2.gz GBIMTKFOAUNTEO-CQSZACIVSA-N 2 2 300.406 2.439 10 0 DEAELP CSC1(C[NH2+]C[C@@H]2C[N@H+](C)CCN2Cc2ccccc2)CC1 ZINC000597237791 358864389 /nfs/dbraw/zinc/86/43/89/358864389.db2.gz IJUNXGNRSDOWCB-QGZVFWFLSA-N 2 2 319.518 2.288 10 0 DEAELP CSC1(C[NH2+]C[C@@H]2C[N@@H+](C)CCN2Cc2ccccc2)CC1 ZINC000597237791 358864390 /nfs/dbraw/zinc/86/43/90/358864390.db2.gz IJUNXGNRSDOWCB-QGZVFWFLSA-N 2 2 319.518 2.288 10 0 DEAELP Cc1nccnc1[C@H](C)[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000187795960 200158554 /nfs/dbraw/zinc/15/85/54/200158554.db2.gz DXBDMFAUKWNXHS-HNNXBMFYSA-N 2 2 311.433 2.495 10 0 DEAELP c1cn(-c2cc(N3CCCC[C@@H]([NH+]4CCCC4)C3)ncn2)c[nH+]1 ZINC000607145796 361072509 /nfs/dbraw/zinc/07/25/09/361072509.db2.gz ZQBCCQZGNWZIHD-OAHLLOKOSA-N 2 2 312.421 2.117 10 0 DEAELP CC[NH2+][C@H](CCCS(C)(=O)=O)C(C)(C)[NH+]1CCCCCC1 ZINC000091568503 193074574 /nfs/dbraw/zinc/07/45/74/193074574.db2.gz SXCOCULXHYIDLB-OAHLLOKOSA-N 2 2 318.527 2.444 10 0 DEAELP c1c(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)nnn1CC1CC1 ZINC000450605019 242010840 /nfs/dbraw/zinc/01/08/40/242010840.db2.gz YDAHVZBHLBPXMF-MAUKXSAKSA-N 2 2 315.465 2.137 10 0 DEAELP c1c(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)nnn1CC1CC1 ZINC000450605019 242010851 /nfs/dbraw/zinc/01/08/51/242010851.db2.gz YDAHVZBHLBPXMF-MAUKXSAKSA-N 2 2 315.465 2.137 10 0 DEAELP c1c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nnn1CC1CC1 ZINC000450605019 242010867 /nfs/dbraw/zinc/01/08/67/242010867.db2.gz YDAHVZBHLBPXMF-MAUKXSAKSA-N 2 2 315.465 2.137 10 0 DEAELP c1c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)nnn1CC1CC1 ZINC000450605019 242010870 /nfs/dbraw/zinc/01/08/70/242010870.db2.gz YDAHVZBHLBPXMF-MAUKXSAKSA-N 2 2 315.465 2.137 10 0 DEAELP COc1ccc(Br)cc1C[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631842862 368418657 /nfs/dbraw/zinc/41/86/57/368418657.db2.gz GYWONAKEIUHBFG-PWSUYJOCSA-N 2 2 313.239 2.484 10 0 DEAELP COc1ccc(Br)cc1C[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631842862 368418659 /nfs/dbraw/zinc/41/86/59/368418659.db2.gz GYWONAKEIUHBFG-PWSUYJOCSA-N 2 2 313.239 2.484 10 0 DEAELP CCC[NH2+][C@H]1CCC[C@H]([NH+]2CCN(CC(F)(F)F)CC2)C1 ZINC000093730401 193298766 /nfs/dbraw/zinc/29/87/66/193298766.db2.gz FXILALRBOZSLIE-KBPBESRZSA-N 2 2 307.404 2.477 10 0 DEAELP CCC[NH2+][C@@H]1CCCc2sc([C@@H]3C[N@H+](C)CCN3C)nc21 ZINC000093896269 193325378 /nfs/dbraw/zinc/32/53/78/193325378.db2.gz PRMZQGUWIPVGMH-OLZOCXBDSA-N 2 2 308.495 2.438 10 0 DEAELP CCC[NH2+][C@@H]1CCCc2sc([C@@H]3C[N@@H+](C)CCN3C)nc21 ZINC000093896269 193325380 /nfs/dbraw/zinc/32/53/80/193325380.db2.gz PRMZQGUWIPVGMH-OLZOCXBDSA-N 2 2 308.495 2.438 10 0 DEAELP CCC[NH2+][C@@H](Cc1ccc(CC)s1)[C@@H]1C[N@H+](C)CCN1C ZINC000093896111 193325439 /nfs/dbraw/zinc/32/54/39/193325439.db2.gz DDJGMPJQVUNXTQ-IRXDYDNUSA-N 2 2 309.523 2.467 10 0 DEAELP CCC[NH2+][C@@H](Cc1ccc(CC)s1)[C@@H]1C[N@@H+](C)CCN1C ZINC000093896111 193325441 /nfs/dbraw/zinc/32/54/41/193325441.db2.gz DDJGMPJQVUNXTQ-IRXDYDNUSA-N 2 2 309.523 2.467 10 0 DEAELP C[NH2+][C@@H](Cc1csc2ccccc12)[C@H]1C[NH+]2CCN1CC2 ZINC000094509187 193375117 /nfs/dbraw/zinc/37/51/17/193375117.db2.gz GIDIRLLVWAELTL-JKSUJKDBSA-N 2 2 301.459 2.032 10 0 DEAELP CC[C@H]([NH3+])[C@H](c1ccc(Br)cc1)[N@H+](C)CCO ZINC000042953978 183321557 /nfs/dbraw/zinc/32/15/57/183321557.db2.gz VQEDCVSNWVNRAF-STQMWFEESA-N 2 2 301.228 2.152 10 0 DEAELP CC[C@H]([NH3+])[C@H](c1ccc(Br)cc1)[N@@H+](C)CCO ZINC000042953978 183321558 /nfs/dbraw/zinc/32/15/58/183321558.db2.gz VQEDCVSNWVNRAF-STQMWFEESA-N 2 2 301.228 2.152 10 0 DEAELP CC[C@@H]([NH3+])[C@@H](c1ccc(C)s1)[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000043240625 183345960 /nfs/dbraw/zinc/34/59/60/183345960.db2.gz NTLGGNCZQGRULR-NFAWXSAZSA-N 2 2 309.479 2.388 10 0 DEAELP CC[C@@H]([NH3+])[C@@H](c1ccc(C)s1)[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000043240625 183345963 /nfs/dbraw/zinc/34/59/63/183345963.db2.gz NTLGGNCZQGRULR-NFAWXSAZSA-N 2 2 309.479 2.388 10 0 DEAELP CC[NH2+]Cc1ccc(S(=O)(=O)Nc2cc[nH+]cc2C)cc1 ZINC000111043973 194386585 /nfs/dbraw/zinc/38/65/85/194386585.db2.gz AIQFOMAISURSPV-UHFFFAOYSA-N 2 2 305.403 2.300 10 0 DEAELP [NH3+][C@@H](CC[NH+]1CCN(CC(F)(F)F)CC1)c1ccccc1 ZINC000061947705 184198072 /nfs/dbraw/zinc/19/80/72/184198072.db2.gz MINSXJWZEJHNPZ-AWEZNQCLSA-N 2 2 301.356 2.256 10 0 DEAELP C[NH+](C)[C@@H](C(=O)NCc1[nH+]cc2ccccn21)c1ccccc1 ZINC000062225617 184224278 /nfs/dbraw/zinc/22/42/78/184224278.db2.gz HAIMMLRLALPQDE-QGZVFWFLSA-N 2 2 308.385 2.253 10 0 DEAELP COc1cc(C[NH2+]Cc2cccnc2-n2cc[nH+]c2)ccc1O ZINC000192945886 207370651 /nfs/dbraw/zinc/37/06/51/207370651.db2.gz RCHRGGLEJUQYHN-UHFFFAOYSA-N 2 2 310.357 2.271 10 0 DEAELP CN1CCC[C@H]([N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)C1=O ZINC000538712663 285052131 /nfs/dbraw/zinc/05/21/31/285052131.db2.gz KQAYYIBTWLQRNY-SJORKVTESA-N 2 2 307.482 2.195 10 0 DEAELP CN1CCC[C@H]([N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)C1=O ZINC000538712663 285052132 /nfs/dbraw/zinc/05/21/32/285052132.db2.gz KQAYYIBTWLQRNY-SJORKVTESA-N 2 2 307.482 2.195 10 0 DEAELP C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000270262560 208329035 /nfs/dbraw/zinc/32/90/35/208329035.db2.gz RUHXSZOUQLVGEP-GJZGRUSLSA-N 2 2 312.417 2.096 10 0 DEAELP C[C@H]1CCCC[N@@H+]1CC[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000156604933 197126343 /nfs/dbraw/zinc/12/63/43/197126343.db2.gz XEUXLPVJJYUVFZ-ZDUSSCGKSA-N 2 2 307.404 2.477 10 0 DEAELP C[C@H]1CCCC[N@H+]1CC[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000156604933 197126344 /nfs/dbraw/zinc/12/63/44/197126344.db2.gz XEUXLPVJJYUVFZ-ZDUSSCGKSA-N 2 2 307.404 2.477 10 0 DEAELP CC[C@H](C)CC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000188259256 145009500 /nfs/dbraw/zinc/00/95/00/145009500.db2.gz BAPKBMQLXSLTNH-INIZCTEOSA-N 2 2 309.498 2.489 10 0 DEAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000191918222 145067246 /nfs/dbraw/zinc/06/72/46/145067246.db2.gz IFKREVKQMZQDSD-QGZVFWFLSA-N 2 2 312.417 2.233 10 0 DEAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000191918222 145067247 /nfs/dbraw/zinc/06/72/47/145067247.db2.gz IFKREVKQMZQDSD-QGZVFWFLSA-N 2 2 312.417 2.233 10 0 DEAELP C[N@H+]1C[C@@H]2C[NH+](C[C@@H]3CC(c4ccc(Cl)cc4)=NO3)C[C@@H]2C1 ZINC000193646305 145088572 /nfs/dbraw/zinc/08/85/72/145088572.db2.gz XRCSGOIMYRQGGQ-LZWOXQAQSA-N 2 2 319.836 2.326 10 0 DEAELP C[N@@H+]1C[C@@H]2C[NH+](C[C@@H]3CC(c4ccc(Cl)cc4)=NO3)C[C@@H]2C1 ZINC000193646305 145088574 /nfs/dbraw/zinc/08/85/74/145088574.db2.gz XRCSGOIMYRQGGQ-LZWOXQAQSA-N 2 2 319.836 2.326 10 0 DEAELP C[NH+]1C[C@@H]2C[N@@H+](C[C@@H]3CC(c4ccc(Cl)cc4)=NO3)C[C@@H]2C1 ZINC000193646305 145088576 /nfs/dbraw/zinc/08/85/76/145088576.db2.gz XRCSGOIMYRQGGQ-LZWOXQAQSA-N 2 2 319.836 2.326 10 0 DEAELP C[NH+]1C[C@@H]2C[N@H+](C[C@@H]3CC(c4ccc(Cl)cc4)=NO3)C[C@@H]2C1 ZINC000193646305 145088577 /nfs/dbraw/zinc/08/85/77/145088577.db2.gz XRCSGOIMYRQGGQ-LZWOXQAQSA-N 2 2 319.836 2.326 10 0 DEAELP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000247174218 145128369 /nfs/dbraw/zinc/12/83/69/145128369.db2.gz KVBYBKMAWIVXNS-PBHICJAKSA-N 2 2 310.401 2.181 10 0 DEAELP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000247174218 145128370 /nfs/dbraw/zinc/12/83/70/145128370.db2.gz KVBYBKMAWIVXNS-PBHICJAKSA-N 2 2 310.401 2.181 10 0 DEAELP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1cnccn1 ZINC000248201105 145150382 /nfs/dbraw/zinc/15/03/82/145150382.db2.gz YSNRKOGUUCXRPV-HLLBOEOZSA-N 2 2 311.433 2.433 10 0 DEAELP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1cnccn1 ZINC000248201105 145150383 /nfs/dbraw/zinc/15/03/83/145150383.db2.gz YSNRKOGUUCXRPV-HLLBOEOZSA-N 2 2 311.433 2.433 10 0 DEAELP COc1ccnc(C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1OC ZINC000249113434 145178848 /nfs/dbraw/zinc/17/88/48/145178848.db2.gz RNQDWANPXSDEDJ-UKRRQHHQSA-N 2 2 316.405 2.378 10 0 DEAELP COc1ccnc(C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1OC ZINC000249113434 145178850 /nfs/dbraw/zinc/17/88/50/145178850.db2.gz RNQDWANPXSDEDJ-UKRRQHHQSA-N 2 2 316.405 2.378 10 0 DEAELP Cc1cccc2[nH+]cc(CN3CC[NH2+]C[C@H]3c3cccnc3)n21 ZINC000261671324 145215666 /nfs/dbraw/zinc/21/56/66/145215666.db2.gz GYAMGVUXZOKEMB-KRWDZBQOSA-N 2 2 307.401 2.184 10 0 DEAELP C[N@H+](C[C@]1(C)CC[NH2+]C1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000261767711 145224214 /nfs/dbraw/zinc/22/42/14/145224214.db2.gz MBYFVUKKFYYYBH-LJQANCHMSA-N 3 2 316.493 2.020 10 0 DEAELP C[N@@H+](C[C@]1(C)CC[NH2+]C1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000261767711 145224216 /nfs/dbraw/zinc/22/42/16/145224216.db2.gz MBYFVUKKFYYYBH-LJQANCHMSA-N 3 2 316.493 2.020 10 0 DEAELP C[C@H](C(=O)N1CCc2ccccc21)[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261850178 145233069 /nfs/dbraw/zinc/23/30/69/145233069.db2.gz RLGWEPXXEYJIMH-CZUORRHYSA-N 2 2 301.434 2.023 10 0 DEAELP C[C@H](C(=O)N1CCc2ccccc21)[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261850178 145233071 /nfs/dbraw/zinc/23/30/71/145233071.db2.gz RLGWEPXXEYJIMH-CZUORRHYSA-N 2 2 301.434 2.023 10 0 DEAELP c1cc(N2CCCC2)[nH+]cc1N[C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000261887945 145238089 /nfs/dbraw/zinc/23/80/89/145238089.db2.gz GAZIXYUDMGELFW-BBWFWOEESA-N 2 2 316.449 2.251 10 0 DEAELP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cc(C(F)(F)F)ccc1Cl ZINC000262122077 145264036 /nfs/dbraw/zinc/26/40/36/145264036.db2.gz MJCKSHOZSBGZEH-CABZTGNLSA-N 2 2 308.731 2.029 10 0 DEAELP CC(C)N(C(=O)C[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1)c1ccccc1 ZINC000262554090 145292315 /nfs/dbraw/zinc/29/23/15/145292315.db2.gz SYMWSRNRCZHHRP-MRXNPFEDSA-N 2 2 303.450 2.487 10 0 DEAELP CC(C)N(C(=O)C[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1)c1ccccc1 ZINC000262554090 145292317 /nfs/dbraw/zinc/29/23/17/145292317.db2.gz SYMWSRNRCZHHRP-MRXNPFEDSA-N 2 2 303.450 2.487 10 0 DEAELP C[C@@H]1Cc2ccccc2N1C(=O)C[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000262573575 145294253 /nfs/dbraw/zinc/29/42/53/145294253.db2.gz XTPLJDIEIIONND-CZUORRHYSA-N 2 2 301.434 2.023 10 0 DEAELP C[C@@H]1Cc2ccccc2N1C(=O)C[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000262573575 145294255 /nfs/dbraw/zinc/29/42/55/145294255.db2.gz XTPLJDIEIIONND-CZUORRHYSA-N 2 2 301.434 2.023 10 0 DEAELP CCC[N@H+](CC)C[C@H](C)NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000358428505 147131959 /nfs/dbraw/zinc/13/19/59/147131959.db2.gz WOZRIUGJVCZYGM-AWEZNQCLSA-N 2 2 321.469 2.419 10 0 DEAELP CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000358428505 147131961 /nfs/dbraw/zinc/13/19/61/147131961.db2.gz WOZRIUGJVCZYGM-AWEZNQCLSA-N 2 2 321.469 2.419 10 0 DEAELP CCN(CCC[NH+](C)C)C(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000370389665 148013825 /nfs/dbraw/zinc/01/38/25/148013825.db2.gz KUQTXZZXWGXESF-AWEZNQCLSA-N 2 2 320.481 2.438 10 0 DEAELP CCN(CCC[NH+](C)C)C(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000370389665 148013827 /nfs/dbraw/zinc/01/38/27/148013827.db2.gz KUQTXZZXWGXESF-AWEZNQCLSA-N 2 2 320.481 2.438 10 0 DEAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2ccncc2)nc[nH+]1 ZINC000111227155 401701335 /nfs/dbraw/zinc/70/13/35/401701335.db2.gz NBPAKKRERLVBBF-DZGCQCFKSA-N 2 2 312.421 2.233 10 0 DEAELP C[C@H](c1nc(-c2cccnc2)no1)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113516269 401781485 /nfs/dbraw/zinc/78/14/85/401781485.db2.gz HMRZKIYPHVCYDB-CHWSQXEVSA-N 2 2 301.394 2.076 10 0 DEAELP C[C@H](c1nc(-c2cccnc2)no1)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113516269 401781488 /nfs/dbraw/zinc/78/14/88/401781488.db2.gz HMRZKIYPHVCYDB-CHWSQXEVSA-N 2 2 301.394 2.076 10 0 DEAELP CC[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CCCn2cc[nH+]c21 ZINC000080653671 401890669 /nfs/dbraw/zinc/89/06/69/401890669.db2.gz VJZIBIRUODXUME-LSDHHAIUSA-N 2 2 304.438 2.141 10 0 DEAELP CC[C@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1CCCn2cc[nH+]c21 ZINC000080653671 401890673 /nfs/dbraw/zinc/89/06/73/401890673.db2.gz VJZIBIRUODXUME-LSDHHAIUSA-N 2 2 304.438 2.141 10 0 DEAELP O=c1c(C[NH2+]CCCn2cc[nH+]c2)cc2cccc3c2n1CCC3 ZINC000039287260 401924057 /nfs/dbraw/zinc/92/40/57/401924057.db2.gz XQJWXQKBFMBQJO-UHFFFAOYSA-N 2 2 322.412 2.324 10 0 DEAELP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CC(=O)NCCC(C)(C)C)C1 ZINC000090003975 401978920 /nfs/dbraw/zinc/97/89/20/401978920.db2.gz IFYCTVPOQRXUFY-HNNXBMFYSA-N 2 2 320.481 2.227 10 0 DEAELP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CC(=O)NCCC(C)(C)C)C1 ZINC000090003975 401978922 /nfs/dbraw/zinc/97/89/22/401978922.db2.gz IFYCTVPOQRXUFY-HNNXBMFYSA-N 2 2 320.481 2.227 10 0 DEAELP CC(C)(C)OC(=O)N1C[C@@H](c2[nH+]ccc3[nH]ccc32)[C@H]([NH3+])C1 ZINC000089220766 401938884 /nfs/dbraw/zinc/93/88/84/401938884.db2.gz VCNPCIVVKYWICT-VXGBXAGGSA-N 2 2 302.378 2.225 10 0 DEAELP O[C@H](C[NH2+][C@@H]1CCCOc2ccccc21)C[NH+]1CCCCC1 ZINC000151309705 402029311 /nfs/dbraw/zinc/02/93/11/402029311.db2.gz FEVQCHXORMGSMN-NVXWUHKLSA-N 2 2 304.434 2.337 10 0 DEAELP C[C@H](NC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1)c1cccs1 ZINC000123195923 402115100 /nfs/dbraw/zinc/11/51/00/402115100.db2.gz PBCKJTZFUNWYTI-MELADBBJSA-N 2 2 309.479 2.340 10 0 DEAELP C[C@H](NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1)c1cccs1 ZINC000123195923 402115103 /nfs/dbraw/zinc/11/51/03/402115103.db2.gz PBCKJTZFUNWYTI-MELADBBJSA-N 2 2 309.479 2.340 10 0 DEAELP C[C@H](NC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cccs1 ZINC000123195923 402115106 /nfs/dbraw/zinc/11/51/06/402115106.db2.gz PBCKJTZFUNWYTI-MELADBBJSA-N 2 2 309.479 2.340 10 0 DEAELP C[C@H](NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccs1 ZINC000123195923 402115109 /nfs/dbraw/zinc/11/51/09/402115109.db2.gz PBCKJTZFUNWYTI-MELADBBJSA-N 2 2 309.479 2.340 10 0 DEAELP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2)C1 ZINC000123649462 402139966 /nfs/dbraw/zinc/13/99/66/402139966.db2.gz ZZPYPXFVQISRMI-OAHLLOKOSA-N 2 2 312.417 2.313 10 0 DEAELP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2)C1 ZINC000123649462 402139969 /nfs/dbraw/zinc/13/99/69/402139969.db2.gz ZZPYPXFVQISRMI-OAHLLOKOSA-N 2 2 312.417 2.313 10 0 DEAELP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCCC3(C)C)CC2)CC1 ZINC000102959722 402175572 /nfs/dbraw/zinc/17/55/72/402175572.db2.gz BGASUINBIDMMSL-UHFFFAOYSA-N 2 2 322.497 2.129 10 0 DEAELP CC[C@H]1CN(Cc2cn3cc(C)ccc3[nH+]2)CC[N@@H+]1CCOC ZINC000176917258 402349696 /nfs/dbraw/zinc/34/96/96/402349696.db2.gz OMPRTBKOHQZAJY-KRWDZBQOSA-N 2 2 316.449 2.185 10 0 DEAELP CC[C@H]1CN(Cc2cn3cc(C)ccc3[nH+]2)CC[N@H+]1CCOC ZINC000176917258 402349699 /nfs/dbraw/zinc/34/96/99/402349699.db2.gz OMPRTBKOHQZAJY-KRWDZBQOSA-N 2 2 316.449 2.185 10 0 DEAELP CCOCC[N@@H+]1CCN(CCCCn2cc[nH+]c2C)C[C@H]1C ZINC000245576945 402472451 /nfs/dbraw/zinc/47/24/51/402472451.db2.gz BFIVQIRVEMEMKJ-MRXNPFEDSA-N 2 2 308.470 2.014 10 0 DEAELP CCOCC[N@H+]1CCN(CCCCn2cc[nH+]c2C)C[C@H]1C ZINC000245576945 402472454 /nfs/dbraw/zinc/47/24/54/402472454.db2.gz BFIVQIRVEMEMKJ-MRXNPFEDSA-N 2 2 308.470 2.014 10 0 DEAELP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+]2CCOC)C12CCCC2 ZINC000245941828 402499756 /nfs/dbraw/zinc/49/97/56/402499756.db2.gz UZOYKQDEXIICLT-IXDOHACOSA-N 2 2 310.482 2.425 10 0 DEAELP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+]2CCOC)C12CCCC2 ZINC000245941828 402499757 /nfs/dbraw/zinc/49/97/57/402499757.db2.gz UZOYKQDEXIICLT-IXDOHACOSA-N 2 2 310.482 2.425 10 0 DEAELP C[NH+](C)C[C@@H](NC(=O)c1ccc2[nH+]ccn2c1)c1ccccc1 ZINC000170861656 402534092 /nfs/dbraw/zinc/53/40/92/402534092.db2.gz DNMQEZGXKOARKT-MRXNPFEDSA-N 2 2 308.385 2.367 10 0 DEAELP CC(C)CNC(=O)C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180675781 402623266 /nfs/dbraw/zinc/62/32/66/402623266.db2.gz KPFUBPWTHYRSGE-AWEZNQCLSA-N 2 2 300.406 2.295 10 0 DEAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2nccc(OC)c2OC)[C@H](C)C1 ZINC000190885807 402630067 /nfs/dbraw/zinc/63/00/67/402630067.db2.gz MXRNHWMGTMXNID-UKRRQHHQSA-N 2 2 307.438 2.261 10 0 DEAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2nccc(OC)c2OC)[C@H](C)C1 ZINC000190885807 402630072 /nfs/dbraw/zinc/63/00/72/402630072.db2.gz MXRNHWMGTMXNID-UKRRQHHQSA-N 2 2 307.438 2.261 10 0 DEAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2nccc(OC)c2OC)[C@H](C)C1 ZINC000190885807 402630075 /nfs/dbraw/zinc/63/00/75/402630075.db2.gz MXRNHWMGTMXNID-UKRRQHHQSA-N 2 2 307.438 2.261 10 0 DEAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2nccc(OC)c2OC)[C@H](C)C1 ZINC000190885807 402630078 /nfs/dbraw/zinc/63/00/78/402630078.db2.gz MXRNHWMGTMXNID-UKRRQHHQSA-N 2 2 307.438 2.261 10 0 DEAELP CC[N@@H+]1CC[C@@H](N(C)Cc2[nH+]ccc(OC)c2OC)[C@H](C)C1 ZINC000190885807 402630081 /nfs/dbraw/zinc/63/00/81/402630081.db2.gz MXRNHWMGTMXNID-UKRRQHHQSA-N 2 2 307.438 2.261 10 0 DEAELP CC[N@H+]1CC[C@@H](N(C)Cc2[nH+]ccc(OC)c2OC)[C@H](C)C1 ZINC000190885807 402630084 /nfs/dbraw/zinc/63/00/84/402630084.db2.gz MXRNHWMGTMXNID-UKRRQHHQSA-N 2 2 307.438 2.261 10 0 DEAELP COCCN(C)c1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cn1 ZINC000191399024 402666852 /nfs/dbraw/zinc/66/68/52/402666852.db2.gz RLRRBJLQBLGETH-NVXWUHKLSA-N 2 2 320.481 2.079 10 0 DEAELP COCCN(C)c1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cn1 ZINC000191399024 402666854 /nfs/dbraw/zinc/66/68/54/402666854.db2.gz RLRRBJLQBLGETH-NVXWUHKLSA-N 2 2 320.481 2.079 10 0 DEAELP COCCN(C)c1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cn1 ZINC000191399024 402666857 /nfs/dbraw/zinc/66/68/57/402666857.db2.gz RLRRBJLQBLGETH-NVXWUHKLSA-N 2 2 320.481 2.079 10 0 DEAELP COCCN(C)c1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cn1 ZINC000191399024 402666860 /nfs/dbraw/zinc/66/68/60/402666860.db2.gz RLRRBJLQBLGETH-NVXWUHKLSA-N 2 2 320.481 2.079 10 0 DEAELP Cc1[nH+]cc(C[NH2+]CC2(C)OCCCO2)n1-c1ccccc1 ZINC000192248932 402719141 /nfs/dbraw/zinc/71/91/41/402719141.db2.gz VPBUVVJUBPARJC-UHFFFAOYSA-N 2 2 301.390 2.423 10 0 DEAELP COc1cccc([C@@H]2C[N@H+](CCCn3cc[nH+]c3)CCO2)c1 ZINC000182864745 402722742 /nfs/dbraw/zinc/72/27/42/402722742.db2.gz SMWJPVATAJUZFT-KRWDZBQOSA-N 2 2 301.390 2.355 10 0 DEAELP COc1cccc([C@@H]2C[N@@H+](CCCn3cc[nH+]c3)CCO2)c1 ZINC000182864745 402722744 /nfs/dbraw/zinc/72/27/44/402722744.db2.gz SMWJPVATAJUZFT-KRWDZBQOSA-N 2 2 301.390 2.355 10 0 DEAELP CC(C)(C)CCNC(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515995 402848983 /nfs/dbraw/zinc/84/89/83/402848983.db2.gz UYTOAOTZXXMFJZ-OAHLLOKOSA-N 2 2 318.465 2.368 10 0 DEAELP CC(C)(C)CCNC(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515995 402848984 /nfs/dbraw/zinc/84/89/84/402848984.db2.gz UYTOAOTZXXMFJZ-OAHLLOKOSA-N 2 2 318.465 2.368 10 0 DEAELP c1cn(-c2ccccc2C[NH2+]Cc2cn3cccnc3n2)c[nH+]1 ZINC000343604333 403658810 /nfs/dbraw/zinc/65/88/10/403658810.db2.gz SZSKDAQZFTXGGV-UHFFFAOYSA-N 2 2 304.357 2.205 10 0 DEAELP CC[C@@H](C)NC(=O)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000370023201 404308065 /nfs/dbraw/zinc/30/80/65/404308065.db2.gz XBAKNUIVRIYHII-CABCVRRESA-N 2 2 318.465 2.314 10 0 DEAELP CC[C@@H](C)NC(=O)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000370023201 404308071 /nfs/dbraw/zinc/30/80/71/404308071.db2.gz XBAKNUIVRIYHII-CABCVRRESA-N 2 2 318.465 2.314 10 0 DEAELP CCOC[C@H](O)C[NH2+]C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000379651474 405027185 /nfs/dbraw/zinc/02/71/85/405027185.db2.gz UNVWWDYLQISPCG-ZWKOTPCHSA-N 2 2 306.450 2.028 10 0 DEAELP CCOC[C@H](O)C[NH2+]C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000379651474 405027192 /nfs/dbraw/zinc/02/71/92/405027192.db2.gz UNVWWDYLQISPCG-ZWKOTPCHSA-N 2 2 306.450 2.028 10 0 DEAELP CC(C)n1ncnc1C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381003177 405030856 /nfs/dbraw/zinc/03/08/56/405030856.db2.gz PNOMZAQQVSFYBQ-KRWDZBQOSA-N 2 2 313.449 2.471 10 0 DEAELP CC(C)n1ncnc1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000381003177 405030864 /nfs/dbraw/zinc/03/08/64/405030864.db2.gz PNOMZAQQVSFYBQ-KRWDZBQOSA-N 2 2 313.449 2.471 10 0 DEAELP COC1([C@H](C)[NH2+]C[C@H](Cc2ccccc2)[NH+](C)C)CCOCC1 ZINC000453050710 405279475 /nfs/dbraw/zinc/27/94/75/405279475.db2.gz ADIHHNNKNVJZIE-WMZOPIPTSA-N 2 2 320.477 2.333 10 0 DEAELP c1cncc(C[NH2+]CCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000423184434 405714024 /nfs/dbraw/zinc/71/40/24/405714024.db2.gz IBUDWGCMUHWMKK-GBESFXJTSA-N 3 2 316.493 2.462 10 0 DEAELP c1ccc([C@@H]2C[C@@H]([NH2+]C3COCCOC3)CC[N@H+]2C2CC2)cc1 ZINC000639201804 405968323 /nfs/dbraw/zinc/96/83/23/405968323.db2.gz MVJFAYVFKQCPML-LPHOPBHVSA-N 2 2 316.445 2.360 10 0 DEAELP c1ccc([C@@H]2C[C@@H]([NH2+]C3COCCOC3)CC[N@@H+]2C2CC2)cc1 ZINC000639201804 405968325 /nfs/dbraw/zinc/96/83/25/405968325.db2.gz MVJFAYVFKQCPML-LPHOPBHVSA-N 2 2 316.445 2.360 10 0 DEAELP COc1ccc(C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)cc1Br ZINC000635000706 406393937 /nfs/dbraw/zinc/39/39/37/406393937.db2.gz UDQZDKUOMCVWHT-JQWIXIFHSA-N 2 2 313.239 2.484 10 0 DEAELP COc1ccc(C[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)cc1Br ZINC000635000706 406393943 /nfs/dbraw/zinc/39/39/43/406393943.db2.gz UDQZDKUOMCVWHT-JQWIXIFHSA-N 2 2 313.239 2.484 10 0 DEAELP COC[C@H]([NH2+]CC[N@H+](C)Cc1ccccc1)C1CCOCC1 ZINC000187817978 225000303 /nfs/dbraw/zinc/00/03/03/225000303.db2.gz RGZPRFOLJKDYSQ-SFHVURJKSA-N 2 2 306.450 2.150 10 0 DEAELP COC[C@H]([NH2+]CC[N@@H+](C)Cc1ccccc1)C1CCOCC1 ZINC000187817978 225000306 /nfs/dbraw/zinc/00/03/06/225000306.db2.gz RGZPRFOLJKDYSQ-SFHVURJKSA-N 2 2 306.450 2.150 10 0 DEAELP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCCCOCc1ccccc1 ZINC000390553585 269097305 /nfs/dbraw/zinc/09/73/05/269097305.db2.gz FPUJORLPCWZMAK-AEFFLSMTSA-N 2 2 306.450 2.340 10 0 DEAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@H](C)C2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000495606443 269159447 /nfs/dbraw/zinc/15/94/47/269159447.db2.gz YBHFMNLPFLYBHG-UKRRQHHQSA-N 2 2 311.470 2.316 10 0 DEAELP CC[N@H+]1CCC[C@@H]([NH2+][C@H](C)C2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000495606443 269159449 /nfs/dbraw/zinc/15/94/49/269159449.db2.gz YBHFMNLPFLYBHG-UKRRQHHQSA-N 2 2 311.470 2.316 10 0 DEAELP COC1([C@@H](C)[NH2+]C[C@H](Cc2ccccc2)[NH+](C)C)CCOCC1 ZINC000453050707 277189821 /nfs/dbraw/zinc/18/98/21/277189821.db2.gz ADIHHNNKNVJZIE-AEFFLSMTSA-N 2 2 320.477 2.333 10 0 DEAELP COc1cccc2c(N3C[C@@H]4OCC[N@H+](C)[C@H]4C3)cc(C)[nH+]c12 ZINC000301700993 278025016 /nfs/dbraw/zinc/02/50/16/278025016.db2.gz FQZVJYRGVPTLFD-RDJZCZTQSA-N 2 2 313.401 2.071 10 0 DEAELP COc1cccc2c(N3C[C@@H]4OCC[N@@H+](C)[C@H]4C3)cc(C)[nH+]c12 ZINC000301700993 278025018 /nfs/dbraw/zinc/02/50/18/278025018.db2.gz FQZVJYRGVPTLFD-RDJZCZTQSA-N 2 2 313.401 2.071 10 0 DEAELP COc1ccccc1-n1nccc1C[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261802091 295345960 /nfs/dbraw/zinc/34/59/60/295345960.db2.gz HAVRJKDEVVORBZ-QGZVFWFLSA-N 2 2 314.433 2.440 10 0 DEAELP COc1ccccc1-n1nccc1C[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261802091 295345961 /nfs/dbraw/zinc/34/59/61/295345961.db2.gz HAVRJKDEVVORBZ-QGZVFWFLSA-N 2 2 314.433 2.440 10 0 DEAELP Cc1nc(NC[C@H](C)[N@@H+]2CCOC[C@@H]2C)c2c([nH+]1)CCCC2 ZINC000302063907 534624498 /nfs/dbraw/zinc/62/44/98/534624498.db2.gz VDQFKYCWFXAFFK-STQMWFEESA-N 2 2 304.438 2.185 10 0 DEAELP Cc1nc(NC[C@H](C)[N@H+]2CCOC[C@@H]2C)c2c([nH+]1)CCCC2 ZINC000302063907 534624505 /nfs/dbraw/zinc/62/45/05/534624505.db2.gz VDQFKYCWFXAFFK-STQMWFEESA-N 2 2 304.438 2.185 10 0 DEAELP Cc1nc(NC[C@H]2C[N@@H+]3CCCC[C@@H]3CO2)c2c([nH+]1)CCCC2 ZINC000302074982 534624703 /nfs/dbraw/zinc/62/47/03/534624703.db2.gz GOHUZKZEJGJXKA-CABCVRRESA-N 2 2 316.449 2.329 10 0 DEAELP Cc1nc(NC[C@H]2C[N@H+]3CCCC[C@@H]3CO2)c2c([nH+]1)CCCC2 ZINC000302074982 534624705 /nfs/dbraw/zinc/62/47/05/534624705.db2.gz GOHUZKZEJGJXKA-CABCVRRESA-N 2 2 316.449 2.329 10 0 DEAELP Cc1nnc(CCC[N@@H+]2CC[C@H](n3c[nH+]c4c3CCCC4)C2)o1 ZINC000299741914 534865949 /nfs/dbraw/zinc/86/59/49/534865949.db2.gz HSXKKPJJKYYMMC-AWEZNQCLSA-N 2 2 315.421 2.333 10 0 DEAELP Cc1nnc(CCC[N@H+]2CC[C@H](n3c[nH+]c4c3CCCC4)C2)o1 ZINC000299741914 534865951 /nfs/dbraw/zinc/86/59/51/534865951.db2.gz HSXKKPJJKYYMMC-AWEZNQCLSA-N 2 2 315.421 2.333 10 0 DEAELP CC(C)N(Cc1ccccc1)C(=O)C[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261782638 535100704 /nfs/dbraw/zinc/10/07/04/535100704.db2.gz NAOLMMYQPRJHKQ-KRWDZBQOSA-N 2 2 317.477 2.483 10 0 DEAELP CC(C)N(Cc1ccccc1)C(=O)C[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261782638 535100709 /nfs/dbraw/zinc/10/07/09/535100709.db2.gz NAOLMMYQPRJHKQ-KRWDZBQOSA-N 2 2 317.477 2.483 10 0 DEAELP CC1(C)CN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC[C@@H]1[NH3+] ZINC000261996136 535347984 /nfs/dbraw/zinc/34/79/84/535347984.db2.gz NCMYEHUGFWPVJH-INIZCTEOSA-N 2 2 312.417 2.131 10 0 DEAELP Cn1cnc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000309920810 625605864 /nfs/dbraw/zinc/60/58/64/625605864.db2.gz QPNWWIAKPSNGTQ-YTQUADARSA-N 2 2 310.445 2.420 10 0 DEAELP Cn1cnc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000309920810 625605866 /nfs/dbraw/zinc/60/58/66/625605866.db2.gz QPNWWIAKPSNGTQ-YTQUADARSA-N 2 2 310.445 2.420 10 0 DEAELP CCC[C@@H]1CC(=O)N(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)C1 ZINC000176083403 624622094 /nfs/dbraw/zinc/62/20/94/624622094.db2.gz IBYGZNRGQYFWGE-HZPDHXFCSA-N 2 2 304.438 2.262 10 0 DEAELP CCC[C@@H]1CC(=O)N(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)C1 ZINC000176083403 624622095 /nfs/dbraw/zinc/62/20/95/624622095.db2.gz IBYGZNRGQYFWGE-HZPDHXFCSA-N 2 2 304.438 2.262 10 0 DEAELP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000382771003 685405430 /nfs/dbraw/zinc/40/54/30/685405430.db2.gz LISGYUNEHTWNJW-NEWSRXKRSA-N 3 2 301.478 2.296 10 0 DEAELP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000382771003 685405434 /nfs/dbraw/zinc/40/54/34/685405434.db2.gz LISGYUNEHTWNJW-NEWSRXKRSA-N 3 2 301.478 2.296 10 0 DEAELP C[C@@H]1C[NH2+]C[C@H]1C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000382771003 685405437 /nfs/dbraw/zinc/40/54/37/685405437.db2.gz LISGYUNEHTWNJW-NEWSRXKRSA-N 3 2 301.478 2.296 10 0 DEAELP C[C@@H]1C[NH2+]C[C@H]1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000382771003 685405439 /nfs/dbraw/zinc/40/54/39/685405439.db2.gz LISGYUNEHTWNJW-NEWSRXKRSA-N 3 2 301.478 2.296 10 0 DEAELP Cc1[nH+]c[nH]c1CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000713341228 792218928 /nfs/dbraw/zinc/21/89/28/792218928.db2.gz CGJZOGMJQAFHHW-BBRMVZONSA-N 2 2 312.417 2.102 10 0 DEAELP Cc1[nH+]c[nH]c1CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000713341228 792218937 /nfs/dbraw/zinc/21/89/37/792218937.db2.gz CGJZOGMJQAFHHW-BBRMVZONSA-N 2 2 312.417 2.102 10 0 DEAELP COC(C[NH+]1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@]2(C)C1)OC ZINC000705662612 1086622131 /nfs/dbraw/zinc/62/21/31/1086622131.db2.gz LSFDWQATQWEMIA-RTBURBONSA-N 2 2 318.461 2.449 10 0 DEAELP C[C@H](C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2)[NH+](C)C ZINC000707938971 1086675067 /nfs/dbraw/zinc/67/50/67/1086675067.db2.gz CWGHFHIXKFGTPH-BARDWOONSA-N 2 2 311.470 2.314 10 0 DEAELP CCC[C@H](C(=O)N1CC[NH+](Cc2ccccc2C)CC1)[NH+](C)C ZINC000179238854 282220170 /nfs/dbraw/zinc/22/01/70/282220170.db2.gz RAEOSDHBHRJAJI-GOSISDBHSA-N 2 2 317.477 2.370 10 0 DEAELP CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2C[N@@H+]1Cc1nc(-c2cccs2)no1 ZINC000090332327 185291470 /nfs/dbraw/zinc/29/14/70/185291470.db2.gz AVLZBPVZNSELSG-IJLUTSLNSA-N 2 2 304.419 2.228 10 0 DEAELP CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2C[N@H+]1Cc1nc(-c2cccs2)no1 ZINC000090332327 185291471 /nfs/dbraw/zinc/29/14/71/185291471.db2.gz AVLZBPVZNSELSG-IJLUTSLNSA-N 2 2 304.419 2.228 10 0 DEAELP CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2C[N@@H+]1Cc1nnc(-c2cccs2)o1 ZINC000090333253 185291546 /nfs/dbraw/zinc/29/15/46/185291546.db2.gz QTMQTDGLOJKJFQ-GRYCIOLGSA-N 2 2 304.419 2.228 10 0 DEAELP CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2C[N@H+]1Cc1nnc(-c2cccs2)o1 ZINC000090333253 185291547 /nfs/dbraw/zinc/29/15/47/185291547.db2.gz QTMQTDGLOJKJFQ-GRYCIOLGSA-N 2 2 304.419 2.228 10 0 DEAELP CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2C[N@@H+]1Cc1nc(-c2cccs2)no1 ZINC000090332329 185291656 /nfs/dbraw/zinc/29/16/56/185291656.db2.gz AVLZBPVZNSELSG-GRYCIOLGSA-N 2 2 304.419 2.228 10 0 DEAELP CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2C[N@H+]1Cc1nc(-c2cccs2)no1 ZINC000090332329 185291657 /nfs/dbraw/zinc/29/16/57/185291657.db2.gz AVLZBPVZNSELSG-GRYCIOLGSA-N 2 2 304.419 2.228 10 0 DEAELP CC1(C)C[N@H+](CC[C@H]([NH3+])c2cccc(Cl)c2)C[C@@H](CO)O1 ZINC000163921737 186142269 /nfs/dbraw/zinc/14/22/69/186142269.db2.gz AJLXPYMQXGNZGV-GJZGRUSLSA-N 2 2 312.841 2.202 10 0 DEAELP CC1(C)C[N@@H+](CC[C@H]([NH3+])c2cccc(Cl)c2)C[C@@H](CO)O1 ZINC000163921737 186142271 /nfs/dbraw/zinc/14/22/71/186142271.db2.gz AJLXPYMQXGNZGV-GJZGRUSLSA-N 2 2 312.841 2.202 10 0 DEAELP COc1ccc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)cc1OC ZINC000173345802 186179142 /nfs/dbraw/zinc/17/91/42/186179142.db2.gz UGCBUXUDWCQYJT-ZBFHGGJFSA-N 2 2 322.449 2.201 10 0 DEAELP O=C(C[NH+]1CCC(n2cc[nH+]c2)CC1)Nc1cc(F)cc(F)c1 ZINC000171942539 198012307 /nfs/dbraw/zinc/01/23/07/198012307.db2.gz RPSYQZMQCKNANX-UHFFFAOYSA-N 2 2 320.343 2.437 10 0 DEAELP Cc1nc(N(C)C[C@@H]2CC[N@H+](C)C2)c(Br)c(C)[nH+]1 ZINC000323223816 539905494 /nfs/dbraw/zinc/90/54/94/539905494.db2.gz WBEMLPFTZKPGFG-LLVKDONJSA-N 2 2 313.243 2.244 10 0 DEAELP Cc1nc(N(C)C[C@@H]2CC[N@@H+](C)C2)c(Br)c(C)[nH+]1 ZINC000323223816 539905498 /nfs/dbraw/zinc/90/54/98/539905498.db2.gz WBEMLPFTZKPGFG-LLVKDONJSA-N 2 2 313.243 2.244 10 0 DEAELP CCn1c(C)nnc1C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185693277 356209349 /nfs/dbraw/zinc/20/93/49/356209349.db2.gz IETQDATXFXFODV-DZGCQCFKSA-N 2 2 305.470 2.349 10 0 DEAELP CCn1c(C)nnc1C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185693277 356209351 /nfs/dbraw/zinc/20/93/51/356209351.db2.gz IETQDATXFXFODV-DZGCQCFKSA-N 2 2 305.470 2.349 10 0 DEAELP C[C@H]([NH2+]Cc1nnc(C2CC2)n1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185666401 356209414 /nfs/dbraw/zinc/20/94/14/356209414.db2.gz DOXZFJZSXGAHNZ-ZFWWWQNUSA-N 2 2 317.481 2.435 10 0 DEAELP C[C@H]([NH2+]Cc1nnc(C2CC2)n1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185666401 356209415 /nfs/dbraw/zinc/20/94/15/356209415.db2.gz DOXZFJZSXGAHNZ-ZFWWWQNUSA-N 2 2 317.481 2.435 10 0 DEAELP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1nc2ccccc2n1C ZINC000180044964 199111480 /nfs/dbraw/zinc/11/14/80/199111480.db2.gz NMQYEBRFDVEDPT-GJZGRUSLSA-N 2 2 316.449 2.071 10 0 DEAELP Cc1nc(C)c(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)o1 ZINC000628219037 366771805 /nfs/dbraw/zinc/77/18/05/366771805.db2.gz ZWVYHEBBJRJPTR-GOSISDBHSA-N 2 2 315.417 2.018 10 0 DEAELP Cc1nc(C)c(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000628219037 366771817 /nfs/dbraw/zinc/77/18/17/366771817.db2.gz ZWVYHEBBJRJPTR-GOSISDBHSA-N 2 2 315.417 2.018 10 0 DEAELP COC(=O)CCC[NH+]1CCC([NH2+]C[C@@H](C)c2ccncc2)CC1 ZINC000611409596 361594631 /nfs/dbraw/zinc/59/46/31/361594631.db2.gz BMOJNSUKKNAZBR-OAHLLOKOSA-N 2 2 319.449 2.192 10 0 DEAELP C[N@H+](Cc1ccc(Cl)cc1)[C@@H](C[NH3+])CC(=O)NC(C)(C)C ZINC000091321137 193039844 /nfs/dbraw/zinc/03/98/44/193039844.db2.gz NPAUIQPMOWQQFZ-CQSZACIVSA-N 2 2 311.857 2.404 10 0 DEAELP C[N@@H+](Cc1ccc(Cl)cc1)[C@@H](C[NH3+])CC(=O)NC(C)(C)C ZINC000091321137 193039846 /nfs/dbraw/zinc/03/98/46/193039846.db2.gz NPAUIQPMOWQQFZ-CQSZACIVSA-N 2 2 311.857 2.404 10 0 DEAELP CC[C@H]([NH3+])Cc1ccc(OC[C@@H]2C[N@H+](C)CCO2)c(Cl)c1 ZINC000092060723 193149752 /nfs/dbraw/zinc/14/97/52/193149752.db2.gz KWILNCAYEHEDSL-KBPBESRZSA-N 2 2 312.841 2.329 10 0 DEAELP CC[C@H]([NH3+])Cc1ccc(OC[C@@H]2C[N@@H+](C)CCO2)c(Cl)c1 ZINC000092060723 193149753 /nfs/dbraw/zinc/14/97/53/193149753.db2.gz KWILNCAYEHEDSL-KBPBESRZSA-N 2 2 312.841 2.329 10 0 DEAELP c1cc(OCC[NH+]2CCOCC2)ccc1C[NH2+][C@@H]1CC12CC2 ZINC000631164201 368055501 /nfs/dbraw/zinc/05/55/01/368055501.db2.gz YUFDQLJPQKQUHR-QGZVFWFLSA-N 2 2 302.418 2.040 10 0 DEAELP COc1ccc(Br)cc1C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631842863 368418785 /nfs/dbraw/zinc/41/87/85/368418785.db2.gz GYWONAKEIUHBFG-ZYHUDNBSSA-N 2 2 313.239 2.484 10 0 DEAELP COc1ccc(Br)cc1C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631842863 368418787 /nfs/dbraw/zinc/41/87/87/368418787.db2.gz GYWONAKEIUHBFG-ZYHUDNBSSA-N 2 2 313.239 2.484 10 0 DEAELP Brc1cnccc1C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631888995 368445944 /nfs/dbraw/zinc/44/59/44/368445944.db2.gz BATKFRNEJYFVBK-BXUZGUMPSA-N 2 2 310.239 2.418 10 0 DEAELP Brc1cnccc1C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631888995 368445950 /nfs/dbraw/zinc/44/59/50/368445950.db2.gz BATKFRNEJYFVBK-BXUZGUMPSA-N 2 2 310.239 2.418 10 0 DEAELP CCC[NH2+][C@@H](Cc1cccc(Cl)c1)[C@H]1C[N@H+](C)CCN1C ZINC000093895949 193325765 /nfs/dbraw/zinc/32/57/65/193325765.db2.gz QCMUFFBXXROKTG-DLBZAZTESA-N 2 2 309.885 2.497 10 0 DEAELP CCC[NH2+][C@@H](Cc1cccc(Cl)c1)[C@H]1C[N@@H+](C)CCN1C ZINC000093895949 193325766 /nfs/dbraw/zinc/32/57/66/193325766.db2.gz QCMUFFBXXROKTG-DLBZAZTESA-N 2 2 309.885 2.497 10 0 DEAELP C[N@H+](Cc1cc(Br)cs1)[C@@H](C[NH3+])[C@@H]1CCOC1 ZINC000042398497 183264119 /nfs/dbraw/zinc/26/41/19/183264119.db2.gz NPOOMGCFUIFYIE-SKDRFNHKSA-N 2 2 319.268 2.306 10 0 DEAELP C[N@@H+](Cc1cc(Br)cs1)[C@@H](C[NH3+])[C@@H]1CCOC1 ZINC000042398497 183264122 /nfs/dbraw/zinc/26/41/22/183264122.db2.gz NPOOMGCFUIFYIE-SKDRFNHKSA-N 2 2 319.268 2.306 10 0 DEAELP COCC[N@H+]([C@H](C)COC)[C@@H](C[NH3+])c1ccc(SC)cc1 ZINC000042606650 183290491 /nfs/dbraw/zinc/29/04/91/183290491.db2.gz UQSAHDDHOBYCGA-CJNGLKHVSA-N 2 2 312.479 2.392 10 0 DEAELP COCC[N@@H+]([C@H](C)COC)[C@@H](C[NH3+])c1ccc(SC)cc1 ZINC000042606650 183290496 /nfs/dbraw/zinc/29/04/96/183290496.db2.gz UQSAHDDHOBYCGA-CJNGLKHVSA-N 2 2 312.479 2.392 10 0 DEAELP CC[C@@H]([NH3+])[C@@H](c1ccc(C)s1)[NH+](CCOC)CCOC ZINC000043240873 183345780 /nfs/dbraw/zinc/34/57/80/183345780.db2.gz GFXBZLYMIVUFCV-HIFRSBDPSA-N 2 2 300.468 2.430 10 0 DEAELP CC[C@H]([NH3+])[C@@H](c1sccc1C)[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000043248008 183347143 /nfs/dbraw/zinc/34/71/43/183347143.db2.gz CKTDYXVTKLAENH-MJBXVCDLSA-N 2 2 309.479 2.388 10 0 DEAELP CC[C@H]([NH3+])[C@@H](c1sccc1C)[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000043248008 183347145 /nfs/dbraw/zinc/34/71/45/183347145.db2.gz CKTDYXVTKLAENH-MJBXVCDLSA-N 2 2 309.479 2.388 10 0 DEAELP C[C@@H]1C[C@@H](Nc2[nH+]c3c(cc2C(N)=S)CCC3)CC[N@@H+]1C ZINC000158059956 197240257 /nfs/dbraw/zinc/24/02/57/197240257.db2.gz JOIJUUWXZILAMG-PWSUYJOCSA-N 2 2 304.463 2.099 10 0 DEAELP C[C@@H]1C[C@@H](Nc2[nH+]c3c(cc2C(N)=S)CCC3)CC[N@H+]1C ZINC000158059956 197240259 /nfs/dbraw/zinc/24/02/59/197240259.db2.gz JOIJUUWXZILAMG-PWSUYJOCSA-N 2 2 304.463 2.099 10 0 DEAELP Cc1[nH+]cc(C[NH2+]C2CCS(=O)CC2)n1-c1ccccc1 ZINC000157978753 197232169 /nfs/dbraw/zinc/23/21/69/197232169.db2.gz ZPJCODUWIOXQMC-UHFFFAOYSA-N 2 2 303.431 2.181 10 0 DEAELP Cc1cnn(C[C@@H]2C[N@H+](CCCc3c[nH+]ccc3C)CCO2)c1 ZINC000289578931 221081124 /nfs/dbraw/zinc/08/11/24/221081124.db2.gz HFCZUVVWUZOFIN-SFHVURJKSA-N 2 2 314.433 2.229 10 0 DEAELP Cc1cnn(C[C@@H]2C[N@@H+](CCCc3c[nH+]ccc3C)CCO2)c1 ZINC000289578931 221081126 /nfs/dbraw/zinc/08/11/26/221081126.db2.gz HFCZUVVWUZOFIN-SFHVURJKSA-N 2 2 314.433 2.229 10 0 DEAELP c1cn2c(cccc2C[NH+]2CCC(c3nnc4n3CCC4)CC2)[nH+]1 ZINC000362034862 133206767 /nfs/dbraw/zinc/20/67/67/133206767.db2.gz CISDTAHRWBBHMT-UHFFFAOYSA-N 2 2 322.416 2.252 10 0 DEAELP Cn1nncc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000368542140 133277480 /nfs/dbraw/zinc/27/74/80/133277480.db2.gz DGBLSDKATCZSNW-ALOPSCKCSA-N 2 2 311.433 2.100 10 0 DEAELP Cn1nncc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000368542140 133277481 /nfs/dbraw/zinc/27/74/81/133277481.db2.gz DGBLSDKATCZSNW-ALOPSCKCSA-N 2 2 311.433 2.100 10 0 DEAELP Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1 ZINC000193602269 145087785 /nfs/dbraw/zinc/08/77/85/145087785.db2.gz RXKOBICMAZOFQT-HRCADAONSA-N 2 2 301.434 2.124 10 0 DEAELP Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1 ZINC000193602269 145087787 /nfs/dbraw/zinc/08/77/87/145087787.db2.gz RXKOBICMAZOFQT-HRCADAONSA-N 2 2 301.434 2.124 10 0 DEAELP Cc1cc(C)cc(NC(=O)[C@H](C)[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c1 ZINC000193602269 145087789 /nfs/dbraw/zinc/08/77/89/145087789.db2.gz RXKOBICMAZOFQT-HRCADAONSA-N 2 2 301.434 2.124 10 0 DEAELP Cc1cc(C)cc(NC(=O)[C@H](C)[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c1 ZINC000193602269 145087791 /nfs/dbraw/zinc/08/77/91/145087791.db2.gz RXKOBICMAZOFQT-HRCADAONSA-N 2 2 301.434 2.124 10 0 DEAELP Cc1cccc(CNC(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000247927039 145144706 /nfs/dbraw/zinc/14/47/06/145144706.db2.gz BRGVQGYPLCFNBB-ROUUACIJSA-N 2 2 315.461 2.027 10 0 DEAELP Cc1cccc(CNC(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000247927039 145144707 /nfs/dbraw/zinc/14/47/07/145144707.db2.gz BRGVQGYPLCFNBB-ROUUACIJSA-N 2 2 315.461 2.027 10 0 DEAELP Cc1cccc(CNC(=O)C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000247927039 145144709 /nfs/dbraw/zinc/14/47/09/145144709.db2.gz BRGVQGYPLCFNBB-ROUUACIJSA-N 2 2 315.461 2.027 10 0 DEAELP Cc1cccc(CNC(=O)C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000247927039 145144710 /nfs/dbraw/zinc/14/47/10/145144710.db2.gz BRGVQGYPLCFNBB-ROUUACIJSA-N 2 2 315.461 2.027 10 0 DEAELP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(c3ccccc3)C2=O)CC[N@@H+]1C ZINC000247973622 145145049 /nfs/dbraw/zinc/14/50/49/145145049.db2.gz HOEVJANQEHCNJW-VYDXJSESSA-N 2 2 301.434 2.254 10 0 DEAELP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(c3ccccc3)C2=O)CC[N@H+]1C ZINC000247973622 145145051 /nfs/dbraw/zinc/14/50/51/145145051.db2.gz HOEVJANQEHCNJW-VYDXJSESSA-N 2 2 301.434 2.254 10 0 DEAELP Cc1ccsc1CNC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248140271 145148579 /nfs/dbraw/zinc/14/85/79/145148579.db2.gz PPEOOUYUIYYFOU-LSDHHAIUSA-N 2 2 321.490 2.089 10 0 DEAELP Cc1ccsc1CNC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248140271 145148580 /nfs/dbraw/zinc/14/85/80/145148580.db2.gz PPEOOUYUIYYFOU-LSDHHAIUSA-N 2 2 321.490 2.089 10 0 DEAELP Cc1ccsc1CNC(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248140271 145148581 /nfs/dbraw/zinc/14/85/81/145148581.db2.gz PPEOOUYUIYYFOU-LSDHHAIUSA-N 2 2 321.490 2.089 10 0 DEAELP Cc1ccsc1CNC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248140271 145148582 /nfs/dbraw/zinc/14/85/82/145148582.db2.gz PPEOOUYUIYYFOU-LSDHHAIUSA-N 2 2 321.490 2.089 10 0 DEAELP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)Nc3cccc(F)c3)CC[C@H]21 ZINC000248152015 145149459 /nfs/dbraw/zinc/14/94/59/145149459.db2.gz QWCONAKWUHUDNP-CZUORRHYSA-N 2 2 305.397 2.180 10 0 DEAELP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)Nc3cccc(F)c3)CC[C@H]21 ZINC000248152015 145149461 /nfs/dbraw/zinc/14/94/61/145149461.db2.gz QWCONAKWUHUDNP-CZUORRHYSA-N 2 2 305.397 2.180 10 0 DEAELP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)Nc3cccc(F)c3)CC[C@H]21 ZINC000248152015 145149463 /nfs/dbraw/zinc/14/94/63/145149463.db2.gz QWCONAKWUHUDNP-CZUORRHYSA-N 2 2 305.397 2.180 10 0 DEAELP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)Nc3cccc(F)c3)CC[C@H]21 ZINC000248152015 145149464 /nfs/dbraw/zinc/14/94/64/145149464.db2.gz QWCONAKWUHUDNP-CZUORRHYSA-N 2 2 305.397 2.180 10 0 DEAELP Cc1ccccc1CNC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248185756 145149856 /nfs/dbraw/zinc/14/98/56/145149856.db2.gz XICPXWIVNCBVBA-ZWKOTPCHSA-N 2 2 315.461 2.027 10 0 DEAELP Cc1ccccc1CNC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248185756 145149858 /nfs/dbraw/zinc/14/98/58/145149858.db2.gz XICPXWIVNCBVBA-ZWKOTPCHSA-N 2 2 315.461 2.027 10 0 DEAELP Cc1ccccc1CNC(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248185756 145149860 /nfs/dbraw/zinc/14/98/60/145149860.db2.gz XICPXWIVNCBVBA-ZWKOTPCHSA-N 2 2 315.461 2.027 10 0 DEAELP Cc1ccccc1CNC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248185756 145149863 /nfs/dbraw/zinc/14/98/63/145149863.db2.gz XICPXWIVNCBVBA-ZWKOTPCHSA-N 2 2 315.461 2.027 10 0 DEAELP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C[C@H]2CC3(CCC3)C(=O)O2)C1 ZINC000248877688 145171306 /nfs/dbraw/zinc/17/13/06/145171306.db2.gz OLJWULHSMVFJMQ-LSDHHAIUSA-N 2 2 317.433 2.160 10 0 DEAELP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C[C@H]2CC3(CCC3)C(=O)O2)C1 ZINC000248877688 145171307 /nfs/dbraw/zinc/17/13/07/145171307.db2.gz OLJWULHSMVFJMQ-LSDHHAIUSA-N 2 2 317.433 2.160 10 0 DEAELP CCOC(=O)[C@@H](Cc1cccc(Cl)c1)[NH2+]CC1CC[NH2+]CC1 ZINC000261705847 145218544 /nfs/dbraw/zinc/21/85/44/145218544.db2.gz IKKBGRONTDAOOQ-MRXNPFEDSA-N 2 2 324.852 2.403 10 0 DEAELP C[C@@]1(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)CC[NH2+]C1 ZINC000261719962 145219657 /nfs/dbraw/zinc/21/96/57/145219657.db2.gz FSLUKQNFMLFICV-GOSISDBHSA-N 3 2 302.466 2.398 10 0 DEAELP CC1(C)C[N@H+](CC(=O)N(Cc2ccccc2)C2CC2)CC[C@@H]1[NH3+] ZINC000261845408 145232748 /nfs/dbraw/zinc/23/27/48/145232748.db2.gz QYHNOKCLBLKFSP-KRWDZBQOSA-N 2 2 315.461 2.237 10 0 DEAELP CC1(C)C[N@@H+](CC(=O)N(Cc2ccccc2)C2CC2)CC[C@@H]1[NH3+] ZINC000261845408 145232749 /nfs/dbraw/zinc/23/27/49/145232749.db2.gz QYHNOKCLBLKFSP-KRWDZBQOSA-N 2 2 315.461 2.237 10 0 DEAELP Cc1cc(C(C)C)nc(N2CC[NH+](C[C@]3(C)CC[NH2+]C3)CC2)n1 ZINC000261913177 145241244 /nfs/dbraw/zinc/24/12/44/145241244.db2.gz YTNSTEDSZPMTIP-GOSISDBHSA-N 2 2 317.481 2.030 10 0 DEAELP Cn1cc[nH+]c1CN(Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000262124752 145263733 /nfs/dbraw/zinc/26/37/33/145263733.db2.gz MTFGHPLORDEKPP-CYBMUJFWSA-N 2 2 317.462 2.021 10 0 DEAELP CC(C)Cn1cc[nH+]c1CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000262667340 145299322 /nfs/dbraw/zinc/29/93/22/145299322.db2.gz KZZMAOWMGIONFB-ZNMIVQPWSA-N 2 2 304.438 2.076 10 0 DEAELP CC1=CC[N@H+](CC[NH2+][C@@H](C)c2ccc3c(c2)OCC(=O)N3)CC1 ZINC000565497285 292166134 /nfs/dbraw/zinc/16/61/34/292166134.db2.gz PHHUCYGUCGYSDW-AWEZNQCLSA-N 2 2 315.417 2.320 10 0 DEAELP CC1=CC[N@@H+](CC[NH2+][C@@H](C)c2ccc3c(c2)OCC(=O)N3)CC1 ZINC000565497285 292166136 /nfs/dbraw/zinc/16/61/36/292166136.db2.gz PHHUCYGUCGYSDW-AWEZNQCLSA-N 2 2 315.417 2.320 10 0 DEAELP C[N@@H+](CC(=O)NC(C)(C)C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110213 401783565 /nfs/dbraw/zinc/78/35/65/401783565.db2.gz LWJULJKYDRTIRB-KRWDZBQOSA-N 2 2 317.477 2.355 10 0 DEAELP C[N@H+](CC(=O)NC(C)(C)C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110213 401783566 /nfs/dbraw/zinc/78/35/66/401783566.db2.gz LWJULJKYDRTIRB-KRWDZBQOSA-N 2 2 317.477 2.355 10 0 DEAELP C[NH+](CC(=O)NC(C)(C)C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076110213 401783567 /nfs/dbraw/zinc/78/35/67/401783567.db2.gz LWJULJKYDRTIRB-KRWDZBQOSA-N 2 2 317.477 2.355 10 0 DEAELP C[NH+](CC(=O)NC(C)(C)C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076110213 401783568 /nfs/dbraw/zinc/78/35/68/401783568.db2.gz LWJULJKYDRTIRB-KRWDZBQOSA-N 2 2 317.477 2.355 10 0 DEAELP O=C(NC1CC[NH+](CCn2cc[nH+]c2)CC1)C1CCCCC1 ZINC000131844728 401858032 /nfs/dbraw/zinc/85/80/32/401858032.db2.gz LLLLZORVZGDOCC-UHFFFAOYSA-N 2 2 304.438 2.044 10 0 DEAELP COc1ccc([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)cc1F ZINC000151272790 402027106 /nfs/dbraw/zinc/02/71/06/402027106.db2.gz AZAIPVBRJRFXKG-DZGCQCFKSA-N 2 2 310.413 2.332 10 0 DEAELP O[C@@H](C[NH2+][C@@H]1CCCOc2ccccc21)C[NH+]1CCCCC1 ZINC000151309580 402029224 /nfs/dbraw/zinc/02/92/24/402029224.db2.gz FEVQCHXORMGSMN-DOTOQJQBSA-N 2 2 304.434 2.337 10 0 DEAELP C[C@@H]1C[C@@H]([NH+](C)CC(=O)N(C)Cc2ccccc2F)CC[N@@H+]1C ZINC000123311312 402120778 /nfs/dbraw/zinc/12/07/78/402120778.db2.gz MATFSKGNDDKTQQ-ZBFHGGJFSA-N 2 2 321.440 2.199 10 0 DEAELP C[C@@H]1C[C@@H]([NH+](C)CC(=O)N(C)Cc2ccccc2F)CC[N@H+]1C ZINC000123311312 402120780 /nfs/dbraw/zinc/12/07/80/402120780.db2.gz MATFSKGNDDKTQQ-ZBFHGGJFSA-N 2 2 321.440 2.199 10 0 DEAELP C[C@@H]1C[C@@H]([N@H+](C)CC(=O)N(C)Cc2ccccc2F)CC[NH+]1C ZINC000123311312 402120783 /nfs/dbraw/zinc/12/07/83/402120783.db2.gz MATFSKGNDDKTQQ-ZBFHGGJFSA-N 2 2 321.440 2.199 10 0 DEAELP C[C@@H]1C[C@@H]([N@@H+](C)CC(=O)N(C)Cc2ccccc2F)CC[NH+]1C ZINC000123311312 402120785 /nfs/dbraw/zinc/12/07/85/402120785.db2.gz MATFSKGNDDKTQQ-ZBFHGGJFSA-N 2 2 321.440 2.199 10 0 DEAELP Cc1cccc(CNC(=O)C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000123788081 402146034 /nfs/dbraw/zinc/14/60/34/402146034.db2.gz DOYKTCJACSPCBL-WBVHZDCISA-N 2 2 303.450 2.026 10 0 DEAELP Cc1cccc(CNC(=O)C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000123788081 402146035 /nfs/dbraw/zinc/14/60/35/402146035.db2.gz DOYKTCJACSPCBL-WBVHZDCISA-N 2 2 303.450 2.026 10 0 DEAELP Cc1cccc(CNC(=O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000123788081 402146036 /nfs/dbraw/zinc/14/60/36/402146036.db2.gz DOYKTCJACSPCBL-WBVHZDCISA-N 2 2 303.450 2.026 10 0 DEAELP Cc1cccc(CNC(=O)C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000123788081 402146037 /nfs/dbraw/zinc/14/60/37/402146037.db2.gz DOYKTCJACSPCBL-WBVHZDCISA-N 2 2 303.450 2.026 10 0 DEAELP C[C@@H]1C[C@H]([NH+](C)CC(=O)Nc2ccc(F)c(F)c2)CC[N@@H+]1C ZINC000123940902 402155307 /nfs/dbraw/zinc/15/53/07/402155307.db2.gz BITYTFXOQZILDK-DGCLKSJQSA-N 2 2 311.376 2.318 10 0 DEAELP C[C@@H]1C[C@H]([NH+](C)CC(=O)Nc2ccc(F)c(F)c2)CC[N@H+]1C ZINC000123940902 402155310 /nfs/dbraw/zinc/15/53/10/402155310.db2.gz BITYTFXOQZILDK-DGCLKSJQSA-N 2 2 311.376 2.318 10 0 DEAELP C[C@@H]1C[C@H]([N@H+](C)CC(=O)Nc2ccc(F)c(F)c2)CC[NH+]1C ZINC000123940902 402155312 /nfs/dbraw/zinc/15/53/12/402155312.db2.gz BITYTFXOQZILDK-DGCLKSJQSA-N 2 2 311.376 2.318 10 0 DEAELP C[C@@H]1C[C@H]([N@@H+](C)CC(=O)Nc2ccc(F)c(F)c2)CC[NH+]1C ZINC000123940902 402155315 /nfs/dbraw/zinc/15/53/15/402155315.db2.gz BITYTFXOQZILDK-DGCLKSJQSA-N 2 2 311.376 2.318 10 0 DEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1nc(N)c2ccccc2n1 ZINC000154571165 402219071 /nfs/dbraw/zinc/21/90/71/402219071.db2.gz OMDWDUAUYDDDTE-CQSZACIVSA-N 2 2 322.416 2.382 10 0 DEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1nc(N)c2ccccc2n1 ZINC000154571165 402219077 /nfs/dbraw/zinc/21/90/77/402219077.db2.gz OMDWDUAUYDDDTE-CQSZACIVSA-N 2 2 322.416 2.382 10 0 DEAELP C[NH+]1CCC([NH+]2CCC(NC(=O)NCC3(C)CCC3)CC2)CC1 ZINC000176648681 402326249 /nfs/dbraw/zinc/32/62/49/402326249.db2.gz CCAJIKICPJGHCF-UHFFFAOYSA-N 2 2 322.497 2.034 10 0 DEAELP CC[N@@H+]1CCC[C@@H]([NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000226615917 402328997 /nfs/dbraw/zinc/32/89/97/402328997.db2.gz JKKCZQYRUUXBHT-OAHLLOKOSA-N 2 2 311.470 2.460 10 0 DEAELP CC[N@H+]1CCC[C@@H]([NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000226615917 402328998 /nfs/dbraw/zinc/32/89/98/402328998.db2.gz JKKCZQYRUUXBHT-OAHLLOKOSA-N 2 2 311.470 2.460 10 0 DEAELP O=C(c1cccc(-n2cc[nH+]c2)c1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177806666 402438007 /nfs/dbraw/zinc/43/80/07/402438007.db2.gz UUOGQEACIAEQQM-QGZVFWFLSA-N 2 2 321.384 2.374 10 0 DEAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cccc(NC(C)=O)c1 ZINC000163263634 402445950 /nfs/dbraw/zinc/44/59/50/402445950.db2.gz DDVJYPKNQZBVKO-KDOFPFPSSA-N 2 2 319.449 2.406 10 0 DEAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cccc(NC(C)=O)c1 ZINC000163263634 402445951 /nfs/dbraw/zinc/44/59/51/402445951.db2.gz DDVJYPKNQZBVKO-KDOFPFPSSA-N 2 2 319.449 2.406 10 0 DEAELP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(c3ccccc3)C2=O)CC[N@@H+]1C ZINC000178249235 402475765 /nfs/dbraw/zinc/47/57/65/402475765.db2.gz HOEVJANQEHCNJW-BFYDXBDKSA-N 2 2 301.434 2.254 10 0 DEAELP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(c3ccccc3)C2=O)CC[N@H+]1C ZINC000178249235 402475768 /nfs/dbraw/zinc/47/57/68/402475768.db2.gz HOEVJANQEHCNJW-BFYDXBDKSA-N 2 2 301.434 2.254 10 0 DEAELP CCO[C@H](C)c1noc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)n1 ZINC000178331682 402485580 /nfs/dbraw/zinc/48/55/80/402485580.db2.gz KMUFLOGHONRYCP-TZMCWYRMSA-N 2 2 319.409 2.337 10 0 DEAELP CCO[C@H](C)c1noc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)n1 ZINC000178331682 402485582 /nfs/dbraw/zinc/48/55/82/402485582.db2.gz KMUFLOGHONRYCP-TZMCWYRMSA-N 2 2 319.409 2.337 10 0 DEAELP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCC[N@@H+]2CC)C12CCOCC2 ZINC000248907273 402613954 /nfs/dbraw/zinc/61/39/54/402613954.db2.gz BJUSWLLHUFAGHO-BRWVUGGUSA-N 2 2 310.482 2.425 10 0 DEAELP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCC[N@H+]2CC)C12CCOCC2 ZINC000248907273 402613958 /nfs/dbraw/zinc/61/39/58/402613958.db2.gz BJUSWLLHUFAGHO-BRWVUGGUSA-N 2 2 310.482 2.425 10 0 DEAELP CC(C)n1ccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)n1 ZINC000172013744 402637268 /nfs/dbraw/zinc/63/72/68/402637268.db2.gz AQNWIARQSFNREV-UHFFFAOYSA-N 2 2 306.454 2.008 10 0 DEAELP CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]CC[NH+]2CCCC2)C1 ZINC000172472328 402658014 /nfs/dbraw/zinc/65/80/14/402658014.db2.gz JFYROBSVSKRKBN-HNNXBMFYSA-N 2 2 311.470 2.319 10 0 DEAELP C[C@H]1C[C@@H]([NH+](C)Cc2cc(=O)oc3cc(O)ccc23)CC[N@@H+]1C ZINC000182396947 402686541 /nfs/dbraw/zinc/68/65/41/402686541.db2.gz XLXWPRMSTACNLM-JSGCOSHPSA-N 2 2 316.401 2.413 10 0 DEAELP C[C@H]1C[C@@H]([NH+](C)Cc2cc(=O)oc3cc(O)ccc23)CC[N@H+]1C ZINC000182396947 402686544 /nfs/dbraw/zinc/68/65/44/402686544.db2.gz XLXWPRMSTACNLM-JSGCOSHPSA-N 2 2 316.401 2.413 10 0 DEAELP C[C@H]1C[C@@H]([N@H+](C)Cc2cc(=O)oc3cc(O)ccc23)CC[NH+]1C ZINC000182396947 402686546 /nfs/dbraw/zinc/68/65/46/402686546.db2.gz XLXWPRMSTACNLM-JSGCOSHPSA-N 2 2 316.401 2.413 10 0 DEAELP C[C@H]1C[C@@H]([N@@H+](C)Cc2cc(=O)oc3cc(O)ccc23)CC[NH+]1C ZINC000182396947 402686549 /nfs/dbraw/zinc/68/65/49/402686549.db2.gz XLXWPRMSTACNLM-JSGCOSHPSA-N 2 2 316.401 2.413 10 0 DEAELP O=C(Nc1cccc(CC[NH+]2CCCC2)c1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263272260 402752627 /nfs/dbraw/zinc/75/26/27/402752627.db2.gz SKCXGJRQDFMREV-HNNXBMFYSA-N 2 2 323.387 2.261 10 0 DEAELP COC(=O)c1occc1C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515851 402848854 /nfs/dbraw/zinc/84/88/54/402848854.db2.gz YCFKBNUQORCNOS-CYBMUJFWSA-N 2 2 315.373 2.395 10 0 DEAELP COC(=O)c1occc1C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515851 402848855 /nfs/dbraw/zinc/84/88/55/402848855.db2.gz YCFKBNUQORCNOS-CYBMUJFWSA-N 2 2 315.373 2.395 10 0 DEAELP Cc1cc(N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)c2cccc(F)c2[nH+]1 ZINC000301729206 403671624 /nfs/dbraw/zinc/67/16/24/403671624.db2.gz WQPXTAIIOABKJS-HOTGVXAUSA-N 2 2 301.365 2.202 10 0 DEAELP Cc1cc(N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)c2cccc(F)c2[nH+]1 ZINC000301729206 403671628 /nfs/dbraw/zinc/67/16/28/403671628.db2.gz WQPXTAIIOABKJS-HOTGVXAUSA-N 2 2 301.365 2.202 10 0 DEAELP [NH3+][C@@H]1CCC[C@@H]2CN(c3cc(N4CCCCC4)[nH+]cn3)C[C@H]21 ZINC000333135442 403674302 /nfs/dbraw/zinc/67/43/02/403674302.db2.gz BMWYOTUVZDCIJL-RBSFLKMASA-N 2 2 301.438 2.031 10 0 DEAELP [NH3+][C@@H]1CCC[C@@H]2CN(c3cc(N4CCCCC4)nc[nH+]3)C[C@H]21 ZINC000333135442 403674306 /nfs/dbraw/zinc/67/43/06/403674306.db2.gz BMWYOTUVZDCIJL-RBSFLKMASA-N 2 2 301.438 2.031 10 0 DEAELP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C)C[NH+]2CCOCC2)C12CCCC2 ZINC000181782281 286387698 /nfs/dbraw/zinc/38/76/98/286387698.db2.gz XFZALGYTIBAMEF-IXDOHACOSA-N 2 2 310.482 2.282 10 0 DEAELP Cc1nc(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)nc(N)[nH+]1 ZINC000310481748 403967106 /nfs/dbraw/zinc/96/71/06/403967106.db2.gz DZKBTPRDVUZVOY-BZUAXINKSA-N 2 2 324.432 2.085 10 0 DEAELP Cc1nc(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)nc(N)[nH+]1 ZINC000310481748 403967114 /nfs/dbraw/zinc/96/71/14/403967114.db2.gz DZKBTPRDVUZVOY-BZUAXINKSA-N 2 2 324.432 2.085 10 0 DEAELP Cc1nc(N)nc(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)[nH+]1 ZINC000310481748 403967118 /nfs/dbraw/zinc/96/71/18/403967118.db2.gz DZKBTPRDVUZVOY-BZUAXINKSA-N 2 2 324.432 2.085 10 0 DEAELP Cc1nc(N)nc(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)[nH+]1 ZINC000310481748 403967127 /nfs/dbraw/zinc/96/71/27/403967127.db2.gz DZKBTPRDVUZVOY-BZUAXINKSA-N 2 2 324.432 2.085 10 0 DEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@H]1c1nncn1C ZINC000329759001 404444215 /nfs/dbraw/zinc/44/42/15/404444215.db2.gz OIHYBUHMXGWUMA-INIZCTEOSA-N 2 2 323.404 2.041 10 0 DEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@H]1c1nncn1C ZINC000329759001 404444218 /nfs/dbraw/zinc/44/42/18/404444218.db2.gz OIHYBUHMXGWUMA-INIZCTEOSA-N 2 2 323.404 2.041 10 0 DEAELP C[C@H]([NH2+]Cc1ncc(Br)s1)[C@@H]1CCC[NH2+]C1 ZINC000414855435 404749040 /nfs/dbraw/zinc/74/90/40/404749040.db2.gz NEQRTXPWDVCMDD-DTWKUNHWSA-N 2 2 304.257 2.383 10 0 DEAELP CC[NH+]1CCC(CCNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000366185156 404768744 /nfs/dbraw/zinc/76/87/44/404768744.db2.gz BPMIKADIPBUXAQ-CQSZACIVSA-N 2 2 304.438 2.068 10 0 DEAELP CC[NH+]1CCC(CCNC(=O)[C@@H]2CCCc3[nH]c[nH+]c32)CC1 ZINC000366185156 404768747 /nfs/dbraw/zinc/76/87/47/404768747.db2.gz BPMIKADIPBUXAQ-CQSZACIVSA-N 2 2 304.438 2.068 10 0 DEAELP O[C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2[NH2+]C2CCC3(CCOCC3)CC2)C1 ZINC000639369897 406067831 /nfs/dbraw/zinc/06/78/31/406067831.db2.gz LJVMKJMRBIXFOP-FGTMMUONSA-N 2 2 322.493 2.303 10 0 DEAELP O[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]2[NH2+]C2CCC3(CCOCC3)CC2)C1 ZINC000639369897 406067832 /nfs/dbraw/zinc/06/78/32/406067832.db2.gz LJVMKJMRBIXFOP-FGTMMUONSA-N 2 2 322.493 2.303 10 0 DEAELP [NH3+]CCc1cc(OCCn2cc[nH+]c2)ccc1Br ZINC000129225197 196030259 /nfs/dbraw/zinc/03/02/59/196030259.db2.gz XJAXWNFIUQQSLL-UHFFFAOYSA-N 2 2 310.195 2.226 10 0 DEAELP Cc1ccc(C)c(OC[C@H](O)C[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000193811626 424870944 /nfs/dbraw/zinc/87/09/44/424870944.db2.gz FHZZKRVJCOSDMM-QGZVFWFLSA-N 2 2 306.450 2.069 10 0 DEAELP CC(C)(C)NC(=O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000103229692 278357962 /nfs/dbraw/zinc/35/79/62/278357962.db2.gz BBAOBAHQVQTVKI-INIZCTEOSA-N 2 2 309.498 2.489 10 0 DEAELP CC(C)(C)NC(=O)C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000103229692 278357963 /nfs/dbraw/zinc/35/79/63/278357963.db2.gz BBAOBAHQVQTVKI-INIZCTEOSA-N 2 2 309.498 2.489 10 0 DEAELP C[C@H]1C[C@H]([NH2+]C2CCC(C(N)=O)CC2)C[N@@H+]1Cc1ccccc1 ZINC000303491658 280008653 /nfs/dbraw/zinc/00/86/53/280008653.db2.gz ZUCUZIRIKWIBPH-KUQKPQIMSA-N 2 2 315.461 2.283 10 0 DEAELP C[C@H]1C[C@H]([NH2+]C2CCC(C(N)=O)CC2)C[N@H+]1Cc1ccccc1 ZINC000303491658 280008656 /nfs/dbraw/zinc/00/86/56/280008656.db2.gz ZUCUZIRIKWIBPH-KUQKPQIMSA-N 2 2 315.461 2.283 10 0 DEAELP CC(=O)N1CC[C@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c2ccccc2C1 ZINC000575371645 326236477 /nfs/dbraw/zinc/23/64/77/326236477.db2.gz UGAJMPCJDKWPHN-WBVHZDCISA-N 2 2 324.428 2.350 10 0 DEAELP CC(=O)N1CC[C@H]([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)c2ccccc2C1 ZINC000575371645 326236479 /nfs/dbraw/zinc/23/64/79/326236479.db2.gz UGAJMPCJDKWPHN-WBVHZDCISA-N 2 2 324.428 2.350 10 0 DEAELP CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000346186344 534807624 /nfs/dbraw/zinc/80/76/24/534807624.db2.gz YPMHRMVBDKSXMT-AWEZNQCLSA-N 2 2 318.446 2.234 10 0 DEAELP CC(=O)N1CC[C@@H](C[N@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000346186344 534807627 /nfs/dbraw/zinc/80/76/27/534807627.db2.gz YPMHRMVBDKSXMT-AWEZNQCLSA-N 2 2 318.446 2.234 10 0 DEAELP Cn1c[nH+]cc1[C@@H]1C[C@H]([NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)CCO1 ZINC000328655428 534815403 /nfs/dbraw/zinc/81/54/03/534815403.db2.gz YKHXFAKGCOLNCY-DEDQRHPVSA-N 2 2 305.422 2.043 10 0 DEAELP CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000358428506 535305014 /nfs/dbraw/zinc/30/50/14/535305014.db2.gz WOZRIUGJVCZYGM-CQSZACIVSA-N 2 2 321.469 2.419 10 0 DEAELP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000358428506 535305017 /nfs/dbraw/zinc/30/50/17/535305017.db2.gz WOZRIUGJVCZYGM-CQSZACIVSA-N 2 2 321.469 2.419 10 0 DEAELP CC1(C)C[N@H+](CC(=O)Nc2ccc3c(c2)CCC3)CC[C@@H]1[NH3+] ZINC000262563616 535354011 /nfs/dbraw/zinc/35/40/11/535354011.db2.gz WEEPUUXDJFQEIN-INIZCTEOSA-N 2 2 301.434 2.173 10 0 DEAELP CC1(C)C[N@@H+](CC(=O)Nc2ccc3c(c2)CCC3)CC[C@@H]1[NH3+] ZINC000262563616 535354013 /nfs/dbraw/zinc/35/40/13/535354013.db2.gz WEEPUUXDJFQEIN-INIZCTEOSA-N 2 2 301.434 2.173 10 0 DEAELP COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000261871282 536801038 /nfs/dbraw/zinc/80/10/38/536801038.db2.gz SYLJTESCAGWRSA-DOMZBBRYSA-N 2 2 305.422 2.081 10 0 DEAELP COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000261871282 536801045 /nfs/dbraw/zinc/80/10/45/536801045.db2.gz SYLJTESCAGWRSA-DOMZBBRYSA-N 2 2 305.422 2.081 10 0 DEAELP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc2c(c1)CCO2 ZINC000178518712 635161049 /nfs/dbraw/zinc/16/10/49/635161049.db2.gz MDINVPGACXPEBD-RHSMWYFYSA-N 2 2 304.434 2.119 10 0 DEAELP Cn1c2ccccc2[nH+]c1NCc1cc(O[C@H]2CC[NH2+]C2)ccn1 ZINC000818629016 647492537 /nfs/dbraw/zinc/49/25/37/647492537.db2.gz SNRHVUOTPZXUSB-HNNXBMFYSA-N 2 2 323.400 2.321 10 0 DEAELP CCOC(=O)[C@@H](F)[C@H](C)[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000134747565 684229927 /nfs/dbraw/zinc/22/99/27/684229927.db2.gz WNNZOVQBUXHFHT-NHYWBVRUSA-N 2 2 314.376 2.267 10 0 DEAELP CC(C)C[C@@H](C[NH+](C)C)[NH2+]CC1CN(C(=O)OC(C)(C)C)C1 ZINC000710871824 1086689236 /nfs/dbraw/zinc/68/92/36/1086689236.db2.gz BLLKWPLMOCZZCB-HNNXBMFYSA-N 2 2 313.486 2.419 10 0 DEAELP C[C@H](CCCO)[NH2+][C@H](C[NH3+])c1cc(Br)cs1 ZINC000087359042 185222769 /nfs/dbraw/zinc/22/27/69/185222769.db2.gz DEIVRAXOCALZIV-PSASIEDQSA-N 2 2 307.257 2.261 10 0 DEAELP C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[NH+]1CCC([NH+](C)C)CC1 ZINC000193814061 539715049 /nfs/dbraw/zinc/71/50/49/539715049.db2.gz JJVQOBWZMPITMW-AWEZNQCLSA-N 2 2 321.440 2.199 10 0 DEAELP CCNc1cc(N2CCC[N@@H+]3CCC[C@@H]3C2)nc(SC)[nH+]1 ZINC000149829139 186053106 /nfs/dbraw/zinc/05/31/06/186053106.db2.gz QDTBIFLMTSQPJH-GFCCVEGCSA-N 2 2 307.467 2.305 10 0 DEAELP CCNc1cc(N2CCC[N@H+]3CCC[C@@H]3C2)nc(SC)[nH+]1 ZINC000149829139 186053107 /nfs/dbraw/zinc/05/31/07/186053107.db2.gz QDTBIFLMTSQPJH-GFCCVEGCSA-N 2 2 307.467 2.305 10 0 DEAELP Cc1cncc(CC[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000402863370 540143748 /nfs/dbraw/zinc/14/37/48/540143748.db2.gz YPQWLXXXQWZJEA-BEFAXECRSA-N 2 2 310.445 2.438 10 0 DEAELP Cc1cncc(CC[NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000402863370 540143751 /nfs/dbraw/zinc/14/37/51/540143751.db2.gz YPQWLXXXQWZJEA-BEFAXECRSA-N 2 2 310.445 2.438 10 0 DEAELP CNc1cc(N2CCC[C@H]2C[NH2+]C(C2CC2)C2CC2)nc[nH+]1 ZINC000180576343 356053069 /nfs/dbraw/zinc/05/30/69/356053069.db2.gz WANVOMULPOAFRF-AWEZNQCLSA-N 2 2 301.438 2.265 10 0 DEAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)c2ccoc2)nc[nH+]1 ZINC000180572784 356053088 /nfs/dbraw/zinc/05/30/88/356053088.db2.gz OUEDEORRBBDWRD-JSGCOSHPSA-N 2 2 301.394 2.431 10 0 DEAELP CC[C@H]1CCCCCN1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000179311927 356020238 /nfs/dbraw/zinc/02/02/38/356020238.db2.gz YMPKTRAOTBFTKK-INIZCTEOSA-N 2 2 324.513 2.377 10 0 DEAELP COC[C@@H](C)C[N@@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000249939128 356332120 /nfs/dbraw/zinc/33/21/20/356332120.db2.gz SPZWSDJXTGWVGA-ZFWWWQNUSA-N 2 2 311.495 2.488 10 0 DEAELP COC[C@@H](C)C[N@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000249939128 356332122 /nfs/dbraw/zinc/33/21/22/356332122.db2.gz SPZWSDJXTGWVGA-ZFWWWQNUSA-N 2 2 311.495 2.488 10 0 DEAELP COC[C@@H](C)C[NH+]1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000249939128 356332124 /nfs/dbraw/zinc/33/21/24/356332124.db2.gz SPZWSDJXTGWVGA-ZFWWWQNUSA-N 2 2 311.495 2.488 10 0 DEAELP COC[C@@H](C)C[NH+]1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000249939128 356332126 /nfs/dbraw/zinc/33/21/26/356332126.db2.gz SPZWSDJXTGWVGA-ZFWWWQNUSA-N 2 2 311.495 2.488 10 0 DEAELP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000400460058 283157063 /nfs/dbraw/zinc/15/70/63/283157063.db2.gz UGPNLICXDQDERL-ILXRZTDVSA-N 2 2 311.470 2.316 10 0 DEAELP CC[N@H+]1CC[C@H]([NH2+][C@H](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000400460058 283157067 /nfs/dbraw/zinc/15/70/67/283157067.db2.gz UGPNLICXDQDERL-ILXRZTDVSA-N 2 2 311.470 2.316 10 0 DEAELP CCCCOC[C@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000393926512 356713469 /nfs/dbraw/zinc/71/34/69/356713469.db2.gz HEZPJYOHQDJBCG-UHOSZYNNSA-N 2 2 320.477 2.417 10 0 DEAELP CCCCOC[C@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000393926512 356713471 /nfs/dbraw/zinc/71/34/71/356713471.db2.gz HEZPJYOHQDJBCG-UHOSZYNNSA-N 2 2 320.477 2.417 10 0 DEAELP O=c1ccccn1CC[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000590819546 357620200 /nfs/dbraw/zinc/62/02/00/357620200.db2.gz WMHGMVVHLZKCKI-SFHVURJKSA-N 2 2 317.477 2.436 10 0 DEAELP O=c1ccccn1CC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000590819546 357620202 /nfs/dbraw/zinc/62/02/02/357620202.db2.gz WMHGMVVHLZKCKI-SFHVURJKSA-N 2 2 317.477 2.436 10 0 DEAELP Cc1nn(C)c2ncc(C[N@@H+]3CCC[C@@H]3Cn3cc[nH+]c3)cc12 ZINC000179271566 199008037 /nfs/dbraw/zinc/00/80/37/199008037.db2.gz RWWFHCINOZSBRE-OAHLLOKOSA-N 2 2 310.405 2.138 10 0 DEAELP Cc1nn(C)c2ncc(C[N@H+]3CCC[C@@H]3Cn3cc[nH+]c3)cc12 ZINC000179271566 199008038 /nfs/dbraw/zinc/00/80/38/199008038.db2.gz RWWFHCINOZSBRE-OAHLLOKOSA-N 2 2 310.405 2.138 10 0 DEAELP CCC[N@H+](Cc1noc(C[NH3+])n1)[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000261621928 283301513 /nfs/dbraw/zinc/30/15/13/283301513.db2.gz DCYHAGILTKAOTF-ZIAGYGMSSA-N 2 2 322.453 2.478 10 0 DEAELP CCC[N@@H+](Cc1noc(C[NH3+])n1)[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000261621928 283301517 /nfs/dbraw/zinc/30/15/17/283301517.db2.gz DCYHAGILTKAOTF-ZIAGYGMSSA-N 2 2 322.453 2.478 10 0 DEAELP c1nnn(Cc2ccccc2)c1C[NH2+]CCC[NH+]1CCCCC1 ZINC000490582540 283305563 /nfs/dbraw/zinc/30/55/63/283305563.db2.gz UPBZCOZTESMTAT-UHFFFAOYSA-N 2 2 313.449 2.292 10 0 DEAELP Cc1cccn2cc(CC(=O)Nc3ccc4[nH+]ccn4c3)[nH+]c12 ZINC000603883255 360868558 /nfs/dbraw/zinc/86/85/58/360868558.db2.gz BTKHZFIFZJVSFP-UHFFFAOYSA-N 2 2 305.341 2.472 10 0 DEAELP CC[NH+]1CCC(CNC(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000606580592 361022634 /nfs/dbraw/zinc/02/26/34/361022634.db2.gz VGFVLMPKIMBXTG-UHFFFAOYSA-N 2 2 301.394 2.188 10 0 DEAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](C[C@@H]2CCCCO2)C1 ZINC000195271301 201371767 /nfs/dbraw/zinc/37/17/67/201371767.db2.gz ZPFZBYJDHAFWCJ-MSOLQXFVSA-N 2 2 303.450 2.404 10 0 DEAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](C[C@@H]2CCCCO2)C1 ZINC000195271301 201371771 /nfs/dbraw/zinc/37/17/71/201371771.db2.gz ZPFZBYJDHAFWCJ-MSOLQXFVSA-N 2 2 303.450 2.404 10 0 DEAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](C[C@@H]2CCCCO2)C1 ZINC000195271301 201371774 /nfs/dbraw/zinc/37/17/74/201371774.db2.gz ZPFZBYJDHAFWCJ-MSOLQXFVSA-N 2 2 303.450 2.404 10 0 DEAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](C[C@@H]2CCCCO2)C1 ZINC000195271301 201371777 /nfs/dbraw/zinc/37/17/77/201371777.db2.gz ZPFZBYJDHAFWCJ-MSOLQXFVSA-N 2 2 303.450 2.404 10 0 DEAELP CCS(=O)(=O)CCC[C@H]([NH2+]C)C1([NH+](C)C)CCC(C)CC1 ZINC000091649045 193085109 /nfs/dbraw/zinc/08/51/09/193085109.db2.gz ZVKBOYIPDRSANY-PCKAHOCUSA-N 2 2 318.527 2.300 10 0 DEAELP c1nnsc1C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000450925958 242399508 /nfs/dbraw/zinc/39/95/08/242399508.db2.gz JOQMQIBAUVKUKY-GFCCVEGCSA-N 2 2 303.435 2.451 10 0 DEAELP c1nnsc1C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000450925958 242399520 /nfs/dbraw/zinc/39/95/20/242399520.db2.gz JOQMQIBAUVKUKY-GFCCVEGCSA-N 2 2 303.435 2.451 10 0 DEAELP C[C@H]1C[N@H+](CC(=O)Nc2ccc(Cl)c(Cl)c2)C[C@H]1C[NH3+] ZINC000631845069 368421405 /nfs/dbraw/zinc/42/14/05/368421405.db2.gz SDHDBBHFGVGDDR-VHSXEESVSA-N 2 2 316.232 2.459 10 0 DEAELP C[C@H]1C[N@@H+](CC(=O)Nc2ccc(Cl)c(Cl)c2)C[C@H]1C[NH3+] ZINC000631845069 368421407 /nfs/dbraw/zinc/42/14/07/368421407.db2.gz SDHDBBHFGVGDDR-VHSXEESVSA-N 2 2 316.232 2.459 10 0 DEAELP Cc1cc(C)n2c(C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)cnc2n1 ZINC000093597578 193272679 /nfs/dbraw/zinc/27/26/79/193272679.db2.gz RIUQCPZJVNYVEH-INIZCTEOSA-N 2 2 313.449 2.264 10 0 DEAELP Cc1cc(C)n2c(C[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)cnc2n1 ZINC000093597578 193272680 /nfs/dbraw/zinc/27/26/80/193272680.db2.gz RIUQCPZJVNYVEH-INIZCTEOSA-N 2 2 313.449 2.264 10 0 DEAELP CCC[NH2+][C@H](Cc1ccc(CC)s1)[C@@H]1C[N@H+](C)CCN1C ZINC000093896112 193324849 /nfs/dbraw/zinc/32/48/49/193324849.db2.gz DDJGMPJQVUNXTQ-SJORKVTESA-N 2 2 309.523 2.467 10 0 DEAELP CCC[NH2+][C@H](Cc1ccc(CC)s1)[C@@H]1C[N@@H+](C)CCN1C ZINC000093896112 193324851 /nfs/dbraw/zinc/32/48/51/193324851.db2.gz DDJGMPJQVUNXTQ-SJORKVTESA-N 2 2 309.523 2.467 10 0 DEAELP CCC[NH2+][C@@H](Cc1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCN1C ZINC000093895943 193325428 /nfs/dbraw/zinc/32/54/28/193325428.db2.gz OCHSIGYCSFPDIM-IRXDYDNUSA-N 2 2 309.885 2.497 10 0 DEAELP CCC[NH2+][C@@H](Cc1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCN1C ZINC000093895943 193325429 /nfs/dbraw/zinc/32/54/29/193325429.db2.gz OCHSIGYCSFPDIM-IRXDYDNUSA-N 2 2 309.885 2.497 10 0 DEAELP CC[NH2+][C@H](Cc1c(F)cccc1Cl)[C@H]1C[N@H+](C)CCN1C ZINC000093895498 193325888 /nfs/dbraw/zinc/32/58/88/193325888.db2.gz MZOSCTHQNVASSY-HZPDHXFCSA-N 2 2 313.848 2.246 10 0 DEAELP CC[NH2+][C@H](Cc1c(F)cccc1Cl)[C@H]1C[N@@H+](C)CCN1C ZINC000093895498 193325890 /nfs/dbraw/zinc/32/58/90/193325890.db2.gz MZOSCTHQNVASSY-HZPDHXFCSA-N 2 2 313.848 2.246 10 0 DEAELP COc1ccc(C[N@H+]2C[C@H]([NH3+])C[C@H](C)C2)cc1OC(F)F ZINC000094548183 193378337 /nfs/dbraw/zinc/37/83/37/193378337.db2.gz WYYGQOVQHPOOBO-CMPLNLGQSA-N 2 2 300.349 2.466 10 0 DEAELP COc1ccc(C[N@@H+]2C[C@H]([NH3+])C[C@H](C)C2)cc1OC(F)F ZINC000094548183 193378338 /nfs/dbraw/zinc/37/83/38/193378338.db2.gz WYYGQOVQHPOOBO-CMPLNLGQSA-N 2 2 300.349 2.466 10 0 DEAELP CCOc1c(Cl)cc(C[NH2+]CC[NH2+]C[C@@H](C)O)cc1Cl ZINC000020477760 182222141 /nfs/dbraw/zinc/22/21/41/182222141.db2.gz VOQKIIVSQYFYEZ-SNVBAGLBSA-N 2 2 321.248 2.452 10 0 DEAELP COCCC[N@H+](CCOC)[C@H](C[NH3+])c1ccc(SC)cc1 ZINC000042420981 183268108 /nfs/dbraw/zinc/26/81/08/183268108.db2.gz DKIFWRHXTKSQNT-MRXNPFEDSA-N 2 2 312.479 2.393 10 0 DEAELP COCCC[N@@H+](CCOC)[C@H](C[NH3+])c1ccc(SC)cc1 ZINC000042420981 183268110 /nfs/dbraw/zinc/26/81/10/183268110.db2.gz DKIFWRHXTKSQNT-MRXNPFEDSA-N 2 2 312.479 2.393 10 0 DEAELP CC[C@H]([NH3+])[C@H](c1ccccc1Cl)[NH+]1CCC(C(N)=O)CC1 ZINC000043051059 183332735 /nfs/dbraw/zinc/33/27/35/183332735.db2.gz NEJRQMQAZHCYCB-GJZGRUSLSA-N 2 2 309.841 2.316 10 0 DEAELP C[C@@H]([NH3+])[C@H](N1CC[NH+](Cc2ccccc2)CC1)C(F)(F)F ZINC000043376588 183357109 /nfs/dbraw/zinc/35/71/09/183357109.db2.gz FRLOJWOZFIMWLG-OCCSQVGLSA-N 2 2 301.356 2.082 10 0 DEAELP CC1(C)Cc2cc(C[NH2+]C[C@@H](O)C[NH+]3CCCCC3)ccc2O1 ZINC000105422602 194102791 /nfs/dbraw/zinc/10/27/91/194102791.db2.gz HZJQPPYOVNNTJR-QGZVFWFLSA-N 2 2 318.461 2.337 10 0 DEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cn3cccnc3n2)C1 ZINC000105897194 194161447 /nfs/dbraw/zinc/16/14/47/194161447.db2.gz FSEQTWUFAKTBFN-OAHLLOKOSA-N 2 2 310.405 2.325 10 0 DEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cn3cccnc3n2)C1 ZINC000105897194 194161448 /nfs/dbraw/zinc/16/14/48/194161448.db2.gz FSEQTWUFAKTBFN-OAHLLOKOSA-N 2 2 310.405 2.325 10 0 DEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)Nc2cc(C)no2)C1 ZINC000105897125 194162928 /nfs/dbraw/zinc/16/29/28/194162928.db2.gz BHYDWDXGIIAYBJ-ZDUSSCGKSA-N 2 2 317.393 2.018 10 0 DEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)Nc2cc(C)no2)C1 ZINC000105897125 194162930 /nfs/dbraw/zinc/16/29/30/194162930.db2.gz BHYDWDXGIIAYBJ-ZDUSSCGKSA-N 2 2 317.393 2.018 10 0 DEAELP c1cn(-c2ccc(C[N@@H+]3CCO[C@@]4(CCCOC4)C3)cc2)c[nH+]1 ZINC000285285008 218365357 /nfs/dbraw/zinc/36/53/57/218365357.db2.gz JSRGQQLFULTHKQ-SFHVURJKSA-N 2 2 313.401 2.254 10 0 DEAELP c1cn(-c2ccc(C[N@H+]3CCO[C@@]4(CCCOC4)C3)cc2)c[nH+]1 ZINC000285285008 218365359 /nfs/dbraw/zinc/36/53/59/218365359.db2.gz JSRGQQLFULTHKQ-SFHVURJKSA-N 2 2 313.401 2.254 10 0 DEAELP C[NH2+]Cc1ccccc1C[NH+]1CCN(CC(F)(F)F)CC1 ZINC000061948324 184197872 /nfs/dbraw/zinc/19/78/72/184197872.db2.gz LSWXYYRGKCGVHD-UHFFFAOYSA-N 2 2 301.356 2.086 10 0 DEAELP CC[NH2+]CC1(C[NH+]2CCN(CC(F)(F)F)CC2)CCCC1 ZINC000061947578 184198047 /nfs/dbraw/zinc/19/80/47/184198047.db2.gz RQAFTNHSLXWWOJ-UHFFFAOYSA-N 2 2 307.404 2.336 10 0 DEAELP [NH3+]C[C@H](c1cccc(Br)c1)N1CCn2cc[nH+]c2C1 ZINC000062246230 184225229 /nfs/dbraw/zinc/22/52/29/184225229.db2.gz RAKSRDCXTXYUGS-CYBMUJFWSA-N 2 2 321.222 2.161 10 0 DEAELP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cnn(-c4ccccc4)n3)CC[C@@H]21 ZINC000158641730 197291001 /nfs/dbraw/zinc/29/10/01/197291001.db2.gz SGFNAQZOKAWWDR-QAPCUYQASA-N 2 2 311.433 2.183 10 0 DEAELP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cnn(-c4ccccc4)n3)CC[C@@H]21 ZINC000158641730 197291002 /nfs/dbraw/zinc/29/10/02/197291002.db2.gz SGFNAQZOKAWWDR-QAPCUYQASA-N 2 2 311.433 2.183 10 0 DEAELP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cnn(-c4ccccc4)n3)CC[C@@H]21 ZINC000158641730 197291004 /nfs/dbraw/zinc/29/10/04/197291004.db2.gz SGFNAQZOKAWWDR-QAPCUYQASA-N 2 2 311.433 2.183 10 0 DEAELP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cnn(-c4ccccc4)n3)CC[C@@H]21 ZINC000158641730 197291006 /nfs/dbraw/zinc/29/10/06/197291006.db2.gz SGFNAQZOKAWWDR-QAPCUYQASA-N 2 2 311.433 2.183 10 0 DEAELP C[C@H](c1ccccn1)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000155115913 197023629 /nfs/dbraw/zinc/02/36/29/197023629.db2.gz JELGYTMNHOXXIR-MRXNPFEDSA-N 2 2 313.449 2.436 10 0 DEAELP C[C@H](c1ccccn1)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000155115913 197023630 /nfs/dbraw/zinc/02/36/30/197023630.db2.gz JELGYTMNHOXXIR-MRXNPFEDSA-N 2 2 313.449 2.436 10 0 DEAELP c1ccc(NC[C@@H]2CO[C@H]3C[N@H+](Cc4cccnc4)C[C@@H]23)[nH+]c1 ZINC000253602728 257105738 /nfs/dbraw/zinc/10/57/38/257105738.db2.gz RECDCIVPPPOLRI-IKGGRYGDSA-N 2 2 310.401 2.036 10 0 DEAELP c1ccc(NC[C@@H]2CO[C@H]3C[N@@H+](Cc4cccnc4)C[C@@H]23)[nH+]c1 ZINC000253602728 257105740 /nfs/dbraw/zinc/10/57/40/257105740.db2.gz RECDCIVPPPOLRI-IKGGRYGDSA-N 2 2 310.401 2.036 10 0 DEAELP CC[N@@H+]1C[C@@H](COC)[C@]2(CC[NH+](Cc3cccc(C)n3)C2)C1 ZINC000503720675 257207648 /nfs/dbraw/zinc/20/76/48/257207648.db2.gz VDFBRPWJUZCKEE-FUHWJXTLSA-N 2 2 303.450 2.180 10 0 DEAELP CC[N@H+]1C[C@@H](COC)[C@]2(CC[NH+](Cc3cccc(C)n3)C2)C1 ZINC000503720675 257207649 /nfs/dbraw/zinc/20/76/49/257207649.db2.gz VDFBRPWJUZCKEE-FUHWJXTLSA-N 2 2 303.450 2.180 10 0 DEAELP CC[NH+]1C[C@@H](COC)[C@]2(CC[N@H+](Cc3cccc(C)n3)C2)C1 ZINC000503720675 257207651 /nfs/dbraw/zinc/20/76/51/257207651.db2.gz VDFBRPWJUZCKEE-FUHWJXTLSA-N 2 2 303.450 2.180 10 0 DEAELP CC[NH+]1C[C@@H](COC)[C@]2(CC[N@@H+](Cc3cccc(C)n3)C2)C1 ZINC000503720675 257207652 /nfs/dbraw/zinc/20/76/52/257207652.db2.gz VDFBRPWJUZCKEE-FUHWJXTLSA-N 2 2 303.450 2.180 10 0 DEAELP Fc1cccc(C[NH+]2C[C@H]3C[NH+](C4CCOCC4)C[C@@H]3C2)c1 ZINC000503716980 257209462 /nfs/dbraw/zinc/20/94/62/257209462.db2.gz OHBAZHFPOZUHPA-HOTGVXAUSA-N 2 2 304.409 2.368 10 0 DEAELP COC[C@@](C)(CCO)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000192066279 145069975 /nfs/dbraw/zinc/06/99/75/145069975.db2.gz DLPNJBNUBMVWPP-QGZVFWFLSA-N 2 2 303.406 2.058 10 0 DEAELP Cc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1C ZINC000193620346 145087558 /nfs/dbraw/zinc/08/75/58/145087558.db2.gz SJHUGICTTHHJFJ-HRCADAONSA-N 2 2 301.434 2.124 10 0 DEAELP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1C ZINC000193620346 145087560 /nfs/dbraw/zinc/08/75/60/145087560.db2.gz SJHUGICTTHHJFJ-HRCADAONSA-N 2 2 301.434 2.124 10 0 DEAELP Cc1ccc(NC(=O)[C@H](C)[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cc1C ZINC000193620346 145087562 /nfs/dbraw/zinc/08/75/62/145087562.db2.gz SJHUGICTTHHJFJ-HRCADAONSA-N 2 2 301.434 2.124 10 0 DEAELP Cc1ccc(NC(=O)[C@H](C)[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cc1C ZINC000193620346 145087563 /nfs/dbraw/zinc/08/75/63/145087563.db2.gz SJHUGICTTHHJFJ-HRCADAONSA-N 2 2 301.434 2.124 10 0 DEAELP CCN(C(=O)[C@@H](C)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)C1CCCCC1 ZINC000193610189 145088256 /nfs/dbraw/zinc/08/82/56/145088256.db2.gz RJJBTGWXZLVGKY-OAGGEKHMSA-N 2 2 307.482 2.050 10 0 DEAELP CCN(C(=O)[C@@H](C)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)C1CCCCC1 ZINC000193610189 145088257 /nfs/dbraw/zinc/08/82/57/145088257.db2.gz RJJBTGWXZLVGKY-OAGGEKHMSA-N 2 2 307.482 2.050 10 0 DEAELP CCN(C(=O)[C@@H](C)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1)C1CCCCC1 ZINC000193610189 145088258 /nfs/dbraw/zinc/08/82/58/145088258.db2.gz RJJBTGWXZLVGKY-OAGGEKHMSA-N 2 2 307.482 2.050 10 0 DEAELP CCN(C(=O)[C@@H](C)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1)C1CCCCC1 ZINC000193610189 145088259 /nfs/dbraw/zinc/08/82/59/145088259.db2.gz RJJBTGWXZLVGKY-OAGGEKHMSA-N 2 2 307.482 2.050 10 0 DEAELP C[N@H+]1C[C@@H]2C[NH+](Cc3ncc(-c4ccc(F)cc4)o3)C[C@@H]2C1 ZINC000193642064 145089211 /nfs/dbraw/zinc/08/92/11/145089211.db2.gz VPFYIFMITUJOPS-OKILXGFUSA-N 2 2 301.365 2.474 10 0 DEAELP C[N@@H+]1C[C@@H]2C[NH+](Cc3ncc(-c4ccc(F)cc4)o3)C[C@@H]2C1 ZINC000193642064 145089212 /nfs/dbraw/zinc/08/92/12/145089212.db2.gz VPFYIFMITUJOPS-OKILXGFUSA-N 2 2 301.365 2.474 10 0 DEAELP C[NH+]1C[C@@H]2C[N@@H+](Cc3ncc(-c4ccc(F)cc4)o3)C[C@@H]2C1 ZINC000193642064 145089214 /nfs/dbraw/zinc/08/92/14/145089214.db2.gz VPFYIFMITUJOPS-OKILXGFUSA-N 2 2 301.365 2.474 10 0 DEAELP C[NH+]1C[C@@H]2C[N@H+](Cc3ncc(-c4ccc(F)cc4)o3)C[C@@H]2C1 ZINC000193642064 145089216 /nfs/dbraw/zinc/08/92/16/145089216.db2.gz VPFYIFMITUJOPS-OKILXGFUSA-N 2 2 301.365 2.474 10 0 DEAELP c1ccc(CC[N@@H+]2CC[C@H]([NH2+][C@@H]3C[C@@H]4OCCC[C@H]34)C2)cc1 ZINC000249892188 145190703 /nfs/dbraw/zinc/19/07/03/145190703.db2.gz QVEWSYOUMFHEBI-MANSERQUSA-N 2 2 300.446 2.461 10 0 DEAELP c1ccc(CC[N@H+]2CC[C@H]([NH2+][C@@H]3C[C@@H]4OCCC[C@H]34)C2)cc1 ZINC000249892188 145190707 /nfs/dbraw/zinc/19/07/07/145190707.db2.gz QVEWSYOUMFHEBI-MANSERQUSA-N 2 2 300.446 2.461 10 0 DEAELP C[C@@H](NC(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(F)cc1 ZINC000261634016 145212415 /nfs/dbraw/zinc/21/24/15/145212415.db2.gz CJLBAGXAJWMRGA-AJSFGMTHSA-N 2 2 319.424 2.218 10 0 DEAELP C[C@@H](NC(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(F)cc1 ZINC000261634016 145212416 /nfs/dbraw/zinc/21/24/16/145212416.db2.gz CJLBAGXAJWMRGA-AJSFGMTHSA-N 2 2 319.424 2.218 10 0 DEAELP C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261683248 145216091 /nfs/dbraw/zinc/21/60/91/145216091.db2.gz KECYRJIYZYISAD-INMHGKMJSA-N 2 2 317.477 2.354 10 0 DEAELP C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261683248 145216092 /nfs/dbraw/zinc/21/60/92/145216092.db2.gz KECYRJIYZYISAD-INMHGKMJSA-N 2 2 317.477 2.354 10 0 DEAELP Cc1cc(C)c(NC(=O)C[N@@H+](C)C[C@@]2(C)CC[NH2+]C2)c(C)c1 ZINC000261716662 145219613 /nfs/dbraw/zinc/21/96/13/145219613.db2.gz FFADDNOMBYOHEQ-SFHVURJKSA-N 2 2 303.450 2.482 10 0 DEAELP Cc1cc(C)c(NC(=O)C[N@H+](C)C[C@@]2(C)CC[NH2+]C2)c(C)c1 ZINC000261716662 145219614 /nfs/dbraw/zinc/21/96/14/145219614.db2.gz FFADDNOMBYOHEQ-SFHVURJKSA-N 2 2 303.450 2.482 10 0 DEAELP COc1cc(OC)c(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(OC)c1 ZINC000261762129 145223177 /nfs/dbraw/zinc/22/31/77/145223177.db2.gz PXZWNVSOXXNCIH-PBWFPOADSA-N 2 2 320.433 2.427 10 0 DEAELP COc1cc(OC)c(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(OC)c1 ZINC000261762129 145223178 /nfs/dbraw/zinc/22/31/78/145223178.db2.gz PXZWNVSOXXNCIH-PBWFPOADSA-N 2 2 320.433 2.427 10 0 DEAELP COc1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261815845 145229516 /nfs/dbraw/zinc/22/95/16/145229516.db2.gz PCBVHLAIQUBYDI-SWLSCSKDSA-N 2 2 305.422 2.081 10 0 DEAELP COc1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261815845 145229518 /nfs/dbraw/zinc/22/95/18/145229518.db2.gz PCBVHLAIQUBYDI-SWLSCSKDSA-N 2 2 305.422 2.081 10 0 DEAELP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1)c1ccc(F)cc1 ZINC000261883669 145237398 /nfs/dbraw/zinc/23/73/98/145237398.db2.gz UVSNKKZSXANXLS-XEZPLFJOSA-N 2 2 321.440 2.451 10 0 DEAELP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@H]([NH3+])C(C)(C)C1)c1ccc(F)cc1 ZINC000261883669 145237399 /nfs/dbraw/zinc/23/73/99/145237399.db2.gz UVSNKKZSXANXLS-XEZPLFJOSA-N 2 2 321.440 2.451 10 0 DEAELP C[C@@]1(C[NH+]2CCN(C(=O)CCC3CCCC3)CC2)CC[NH2+]C1 ZINC000261887232 145238062 /nfs/dbraw/zinc/23/80/62/145238062.db2.gz SFBFRZNYUMROSD-GOSISDBHSA-N 2 2 307.482 2.101 10 0 DEAELP Cc1ccc(NC(=O)C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(C)c1 ZINC000261952309 145246497 /nfs/dbraw/zinc/24/64/97/145246497.db2.gz NHQKSQQXEZEYHL-XYPWUTKMSA-N 2 2 301.434 2.457 10 0 DEAELP Cc1ccc(NC(=O)C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(C)c1 ZINC000261952309 145246499 /nfs/dbraw/zinc/24/64/99/145246499.db2.gz NHQKSQQXEZEYHL-XYPWUTKMSA-N 2 2 301.434 2.457 10 0 DEAELP CCN(C(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCCCC1 ZINC000261980673 145249170 /nfs/dbraw/zinc/24/91/70/145249170.db2.gz RFPCIUQTAVNLBM-FKEKPDDDSA-N 2 2 307.482 2.382 10 0 DEAELP CCN(C(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCCCC1 ZINC000261980673 145249172 /nfs/dbraw/zinc/24/91/72/145249172.db2.gz RFPCIUQTAVNLBM-FKEKPDDDSA-N 2 2 307.482 2.382 10 0 DEAELP CC(C)c1ccc(NC(=O)C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000262429693 145283595 /nfs/dbraw/zinc/28/35/95/145283595.db2.gz FSJKYDGTSOCKPH-JKSUJKDBSA-N 2 2 301.434 2.290 10 0 DEAELP CC(C)c1ccc(NC(=O)C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000262429693 145283597 /nfs/dbraw/zinc/28/35/97/145283597.db2.gz FSJKYDGTSOCKPH-JKSUJKDBSA-N 2 2 301.434 2.290 10 0 DEAELP Clc1cccc(-c2noc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@@H]4C3)n2)c1 ZINC000262530543 145290340 /nfs/dbraw/zinc/29/03/40/145290340.db2.gz PMSVEHWEKXCGAY-QWHCGFSZSA-N 2 2 318.808 2.431 10 0 DEAELP Clc1cccc(-c2noc(C[N@H+]3CC[C@H]4C[NH2+]C[C@@H]4C3)n2)c1 ZINC000262530543 145290342 /nfs/dbraw/zinc/29/03/42/145290342.db2.gz PMSVEHWEKXCGAY-QWHCGFSZSA-N 2 2 318.808 2.431 10 0 DEAELP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2COc3ccccc3O2)C[N@@H+]1C1CC1 ZINC000358297044 147108400 /nfs/dbraw/zinc/10/84/00/147108400.db2.gz LOFFPQKEQVBOFR-FMKPAKJESA-N 2 2 302.418 2.431 10 0 DEAELP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2COc3ccccc3O2)C[N@H+]1C1CC1 ZINC000358297044 147108401 /nfs/dbraw/zinc/10/84/01/147108401.db2.gz LOFFPQKEQVBOFR-FMKPAKJESA-N 2 2 302.418 2.431 10 0 DEAELP COC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)C1CC1 ZINC000126341874 401689953 /nfs/dbraw/zinc/68/99/53/401689953.db2.gz AVKYGFSTMQHEKM-WBAXXEDZSA-N 2 2 303.450 2.307 10 0 DEAELP COC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)C1CC1 ZINC000126341874 401689954 /nfs/dbraw/zinc/68/99/54/401689954.db2.gz AVKYGFSTMQHEKM-WBAXXEDZSA-N 2 2 303.450 2.307 10 0 DEAELP CNC(=O)c1cccc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000113931394 401787349 /nfs/dbraw/zinc/78/73/49/401787349.db2.gz ZYKOFGZCHXTGGY-INIZCTEOSA-N 2 2 324.428 2.375 10 0 DEAELP CNC(=O)c1cccc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000113931394 401787350 /nfs/dbraw/zinc/78/73/50/401787350.db2.gz ZYKOFGZCHXTGGY-INIZCTEOSA-N 2 2 324.428 2.375 10 0 DEAELP CC(C)Cn1cc[nH+]c1CNC(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000080564225 401890421 /nfs/dbraw/zinc/89/04/21/401890421.db2.gz DUUARLIXEVFPBG-HNNXBMFYSA-N 2 2 321.469 2.213 10 0 DEAELP CC(C)Cn1cc[nH+]c1CNC(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000080564225 401890422 /nfs/dbraw/zinc/89/04/22/401890422.db2.gz DUUARLIXEVFPBG-HNNXBMFYSA-N 2 2 321.469 2.213 10 0 DEAELP O[C@@H]1CCCC[C@@H]1CNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000119550009 401958473 /nfs/dbraw/zinc/95/84/73/401958473.db2.gz UFLRNMSZQICUSU-IUODEOHRSA-N 2 2 324.388 2.174 10 0 DEAELP C[C@H](NC(=O)N1CCC[C@H]1Cn1cc[nH+]c1)C(C)(C)C[NH+](C)C ZINC000121205810 402020702 /nfs/dbraw/zinc/02/07/02/402020702.db2.gz FFHNDXLQHZIJHX-GJZGRUSLSA-N 2 2 321.469 2.033 10 0 DEAELP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc(F)cc1N(C)C ZINC000151320860 402029536 /nfs/dbraw/zinc/02/95/36/402029536.db2.gz LDOSMTFVIZBUHL-GOEBONIOSA-N 2 2 323.456 2.389 10 0 DEAELP CCN(CC)C(=O)C[C@@H](C)[NH2+]Cc1cccnc1-n1cc[nH+]c1 ZINC000151533178 402042322 /nfs/dbraw/zinc/04/23/22/402042322.db2.gz QATRHDOFGOCTAL-CQSZACIVSA-N 2 2 315.421 2.004 10 0 DEAELP COc1ccc2[nH+]c(N3CCO[C@@H](C[NH+](C)C)C3)ccc2c1 ZINC000108951925 402265017 /nfs/dbraw/zinc/26/50/17/402265017.db2.gz WYAMYKDXTUNKDA-HNNXBMFYSA-N 2 2 301.390 2.010 10 0 DEAELP C[NH+]1CCC(CNC(=O)[C@@H]2C[C@@H]2C2CC2)([NH+]2CCCCC2)CC1 ZINC000177471893 402406630 /nfs/dbraw/zinc/40/66/30/402406630.db2.gz UPXSHSJTRWEVGO-IAGOWNOFSA-N 2 2 319.493 2.099 10 0 DEAELP C[NH+](C)Cc1cccc(C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000177804061 402437798 /nfs/dbraw/zinc/43/77/98/402437798.db2.gz BBWBQEZJRQNPDV-QGZVFWFLSA-N 2 2 312.417 2.250 10 0 DEAELP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CCCn2cc[nH+]c21 ZINC000245426746 402459609 /nfs/dbraw/zinc/45/96/09/402459609.db2.gz VJZIBIRUODXUME-CABCVRRESA-N 2 2 304.438 2.141 10 0 DEAELP CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H]1CCCn2cc[nH+]c21 ZINC000245426746 402459610 /nfs/dbraw/zinc/45/96/10/402459610.db2.gz VJZIBIRUODXUME-CABCVRRESA-N 2 2 304.438 2.141 10 0 DEAELP Cc1ccc(C[NH+]2CCC([N@H+]3CCO[C@@H](C)C3)CC2)c(C)n1 ZINC000186727222 402460397 /nfs/dbraw/zinc/46/03/97/402460397.db2.gz MEOYNEWXKJOCJD-HNNXBMFYSA-N 2 2 303.450 2.384 10 0 DEAELP Cc1ccc(C[NH+]2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)c(C)n1 ZINC000186727222 402460399 /nfs/dbraw/zinc/46/03/99/402460399.db2.gz MEOYNEWXKJOCJD-HNNXBMFYSA-N 2 2 303.450 2.384 10 0 DEAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NCc2ccccc2F)[C@@H](C)C1 ZINC000245431070 402460460 /nfs/dbraw/zinc/46/04/60/402460460.db2.gz NWTUEODVQXLOIN-WMLDXEAASA-N 2 2 321.440 2.104 10 0 DEAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NCc2ccccc2F)[C@@H](C)C1 ZINC000245431070 402460462 /nfs/dbraw/zinc/46/04/62/402460462.db2.gz NWTUEODVQXLOIN-WMLDXEAASA-N 2 2 321.440 2.104 10 0 DEAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NCc2ccccc2F)[C@@H](C)C1 ZINC000245431070 402460465 /nfs/dbraw/zinc/46/04/65/402460465.db2.gz NWTUEODVQXLOIN-WMLDXEAASA-N 2 2 321.440 2.104 10 0 DEAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NCc2ccccc2F)[C@@H](C)C1 ZINC000245431070 402460467 /nfs/dbraw/zinc/46/04/67/402460467.db2.gz NWTUEODVQXLOIN-WMLDXEAASA-N 2 2 321.440 2.104 10 0 DEAELP CC(C)Cn1cc[nH+]c1CNC(=O)C[C@@H](C)C1CC[NH2+]CC1 ZINC000178809864 402542804 /nfs/dbraw/zinc/54/28/04/402542804.db2.gz GGCHCVHYLMIHOD-CQSZACIVSA-N 2 2 306.454 2.181 10 0 DEAELP Cc1[nH+]ccn1CCCC[NH+]1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000179039980 402567268 /nfs/dbraw/zinc/56/72/68/402567268.db2.gz RCCTWSFOIOKCJE-MRXNPFEDSA-N 3 2 320.481 2.157 10 0 DEAELP Cc1[nH+]ccn1CCCC[NH+]1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000179039980 402567269 /nfs/dbraw/zinc/56/72/69/402567269.db2.gz RCCTWSFOIOKCJE-MRXNPFEDSA-N 3 2 320.481 2.157 10 0 DEAELP [NH3+]CC[N@H+](CCc1ccccc1)Cc1cccc2c1OCCO2 ZINC000261748879 402716518 /nfs/dbraw/zinc/71/65/18/402716518.db2.gz LQFVDGYKEXWVRY-UHFFFAOYSA-N 2 2 312.413 2.461 10 0 DEAELP [NH3+]CC[N@@H+](CCc1ccccc1)Cc1cccc2c1OCCO2 ZINC000261748879 402716522 /nfs/dbraw/zinc/71/65/22/402716522.db2.gz LQFVDGYKEXWVRY-UHFFFAOYSA-N 2 2 312.413 2.461 10 0 DEAELP C[C@H](C[NH3+])C(=O)N1CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC000262325576 402724541 /nfs/dbraw/zinc/72/45/41/402724541.db2.gz FYEHXLCRVVRZOV-CHWSQXEVSA-N 2 2 309.841 2.140 10 0 DEAELP Cc1cn2cc(NC(=O)N3CC[C@H]4CC[C@@H](C3)[N@H+]4C)ccc2[nH+]1 ZINC000266768324 402989940 /nfs/dbraw/zinc/98/99/40/402989940.db2.gz RTFNNFIIDZYWAP-CABCVRRESA-N 2 2 313.405 2.343 10 0 DEAELP O=C(Nc1ccn2cc[nH+]c2c1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000333255878 403708175 /nfs/dbraw/zinc/70/81/75/403708175.db2.gz DFZBYGILAQIJPK-HNNXBMFYSA-N 2 2 313.405 2.330 10 0 DEAELP Cc1cc(N2CC[N@@H+]3CCOC[C@@H]3C2)c2cccc(F)c2[nH+]1 ZINC000364884533 404542142 /nfs/dbraw/zinc/54/21/42/404542142.db2.gz QSBFYUQPQLHWSM-ZDUSSCGKSA-N 2 2 301.365 2.203 10 0 DEAELP Cc1cc(N2CC[N@H+]3CCOC[C@@H]3C2)c2cccc(F)c2[nH+]1 ZINC000364884533 404542150 /nfs/dbraw/zinc/54/21/50/404542150.db2.gz QSBFYUQPQLHWSM-ZDUSSCGKSA-N 2 2 301.365 2.203 10 0 DEAELP COC(=O)[C@@H](C1CC1)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434688315 404924636 /nfs/dbraw/zinc/92/46/36/404924636.db2.gz KWEHZYGVWVWXRI-MRXNPFEDSA-N 2 2 317.433 2.350 10 0 DEAELP Cc1nc(C2([NH2+]CCc3c[nH+]cn3C)CCCCCC2)no1 ZINC000459354095 405867774 /nfs/dbraw/zinc/86/77/74/405867774.db2.gz OGQCHELRSIQRAT-UHFFFAOYSA-N 2 2 303.410 2.493 10 0 DEAELP CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC000524211779 406442370 /nfs/dbraw/zinc/44/23/70/406442370.db2.gz SRCCUTBZHAABTP-AWEZNQCLSA-N 2 2 319.453 2.031 10 0 DEAELP CCC[N@H+]1CC[C@@H](CNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC000524211779 406442373 /nfs/dbraw/zinc/44/23/73/406442373.db2.gz SRCCUTBZHAABTP-AWEZNQCLSA-N 2 2 319.453 2.031 10 0 DEAELP COC[C@H](C)[C@@H](C[NH3+])[N@H+](C)Cc1cccc(Br)c1 ZINC000131957890 196213797 /nfs/dbraw/zinc/21/37/97/196213797.db2.gz FHNWKSMDWXJNEI-SMDDNHRTSA-N 2 2 315.255 2.491 10 0 DEAELP COC[C@H](C)[C@@H](C[NH3+])[N@@H+](C)Cc1cccc(Br)c1 ZINC000131957890 196213799 /nfs/dbraw/zinc/21/37/99/196213799.db2.gz FHNWKSMDWXJNEI-SMDDNHRTSA-N 2 2 315.255 2.491 10 0 DEAELP Cc1sc2nc(C[N@H+]3CC[C@@H]([C@@H](C)[NH3+])C3)nc(N)c2c1C ZINC000132387768 196252256 /nfs/dbraw/zinc/25/22/56/196252256.db2.gz HUTWBKJRWOLUGW-MWLCHTKSSA-N 2 2 305.451 2.059 10 0 DEAELP Cc1sc2nc(C[N@@H+]3CC[C@@H]([C@@H](C)[NH3+])C3)nc(N)c2c1C ZINC000132387768 196252257 /nfs/dbraw/zinc/25/22/57/196252257.db2.gz HUTWBKJRWOLUGW-MWLCHTKSSA-N 2 2 305.451 2.059 10 0 DEAELP CNc1cc(N2CC[NH+](C3CCCC3)CC2)nc(SC)[nH+]1 ZINC000134107668 196361997 /nfs/dbraw/zinc/36/19/97/196361997.db2.gz WRYUGMZBHUMKHM-UHFFFAOYSA-N 2 2 307.467 2.305 10 0 DEAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](CCCCCO)C1 ZINC000195258115 225199929 /nfs/dbraw/zinc/19/99/29/225199929.db2.gz JNWTVPWQAOPXMS-HNNXBMFYSA-N 2 2 311.495 2.368 10 0 DEAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](CCCCCO)C1 ZINC000195258115 225199931 /nfs/dbraw/zinc/19/99/31/225199931.db2.gz JNWTVPWQAOPXMS-HNNXBMFYSA-N 2 2 311.495 2.368 10 0 DEAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](CCCCCO)C1 ZINC000195258115 225199934 /nfs/dbraw/zinc/19/99/34/225199934.db2.gz JNWTVPWQAOPXMS-HNNXBMFYSA-N 2 2 311.495 2.368 10 0 DEAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](CCCCCO)C1 ZINC000195258115 225199938 /nfs/dbraw/zinc/19/99/38/225199938.db2.gz JNWTVPWQAOPXMS-HNNXBMFYSA-N 2 2 311.495 2.368 10 0 DEAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NCc2ccccc2F)[C@H](C)C1 ZINC000081096639 267379168 /nfs/dbraw/zinc/37/91/68/267379168.db2.gz NWTUEODVQXLOIN-RHSMWYFYSA-N 2 2 321.440 2.104 10 0 DEAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NCc2ccccc2F)[C@H](C)C1 ZINC000081096639 267379172 /nfs/dbraw/zinc/37/91/72/267379172.db2.gz NWTUEODVQXLOIN-RHSMWYFYSA-N 2 2 321.440 2.104 10 0 DEAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NCc2ccccc2F)[C@H](C)C1 ZINC000081096639 267379173 /nfs/dbraw/zinc/37/91/73/267379173.db2.gz NWTUEODVQXLOIN-RHSMWYFYSA-N 2 2 321.440 2.104 10 0 DEAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NCc2ccccc2F)[C@H](C)C1 ZINC000081096639 267379177 /nfs/dbraw/zinc/37/91/77/267379177.db2.gz NWTUEODVQXLOIN-RHSMWYFYSA-N 2 2 321.440 2.104 10 0 DEAELP CC[NH+]1CCC(CNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)CC1 ZINC000519563743 269419129 /nfs/dbraw/zinc/41/91/29/269419129.db2.gz XXFAYDASTNFELX-UHFFFAOYSA-N 2 2 319.453 2.031 10 0 DEAELP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177413153 279123872 /nfs/dbraw/zinc/12/38/72/279123872.db2.gz ZQJAFDAVLVCHLC-HZPDHXFCSA-N 2 2 321.469 2.033 10 0 DEAELP CC(C)[C@@H]1C[C@@H]1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000185535886 280026662 /nfs/dbraw/zinc/02/66/62/280026662.db2.gz ZRTGONQZFUVGKD-IRXDYDNUSA-N 2 2 321.509 2.345 10 0 DEAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(OC)cc1OC ZINC000163420873 523829714 /nfs/dbraw/zinc/82/97/14/523829714.db2.gz UJRWBTRGDKFIAA-HUUCEWRRSA-N 2 2 322.449 2.465 10 0 DEAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(OC)cc1OC ZINC000163420873 523829715 /nfs/dbraw/zinc/82/97/15/523829715.db2.gz UJRWBTRGDKFIAA-HUUCEWRRSA-N 2 2 322.449 2.465 10 0 DEAELP CC(C)Cn1cc[nH+]c1CNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262673639 534911798 /nfs/dbraw/zinc/91/17/98/534911798.db2.gz QHRPVZPCJDLJNL-GOOCMWNKSA-N 2 2 304.438 2.076 10 0 DEAELP CCN(C(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1)c1ccccc1 ZINC000248123517 535665903 /nfs/dbraw/zinc/66/59/03/535665903.db2.gz NRGKNRAKKCAELU-WMZOPIPTSA-N 2 2 315.461 2.456 10 0 DEAELP CCN(C(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1)c1ccccc1 ZINC000248123517 535665910 /nfs/dbraw/zinc/66/59/10/535665910.db2.gz NRGKNRAKKCAELU-WMZOPIPTSA-N 2 2 315.461 2.456 10 0 DEAELP CCN(C(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)c1ccccc1 ZINC000248123517 535665915 /nfs/dbraw/zinc/66/59/15/535665915.db2.gz NRGKNRAKKCAELU-WMZOPIPTSA-N 2 2 315.461 2.456 10 0 DEAELP CCN(C(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)c1ccccc1 ZINC000248123517 535665918 /nfs/dbraw/zinc/66/59/18/535665918.db2.gz NRGKNRAKKCAELU-WMZOPIPTSA-N 2 2 315.461 2.456 10 0 DEAELP CCc1cccc(CC)c1NC(=O)C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261606897 535881098 /nfs/dbraw/zinc/88/10/98/535881098.db2.gz BFWZEYOULXGRDG-SFHVURJKSA-N 2 2 303.450 2.421 10 0 DEAELP CCc1cccc(CC)c1NC(=O)C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261606897 535881099 /nfs/dbraw/zinc/88/10/99/535881099.db2.gz BFWZEYOULXGRDG-SFHVURJKSA-N 2 2 303.450 2.421 10 0 DEAELP Cc1nc(NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)nc(N)[nH+]1 ZINC000309743493 625547343 /nfs/dbraw/zinc/54/73/43/625547343.db2.gz SRPISSRFRLVZLF-KRWDZBQOSA-N 2 2 312.421 2.086 10 0 DEAELP Cc1nc(NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)nc(N)[nH+]1 ZINC000309743493 625547353 /nfs/dbraw/zinc/54/73/53/625547353.db2.gz SRPISSRFRLVZLF-KRWDZBQOSA-N 2 2 312.421 2.086 10 0 DEAELP Cc1nc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)sc1Br ZINC000723686272 777161928 /nfs/dbraw/zinc/16/19/28/777161928.db2.gz HHHVRSJNRUCPMD-SECBINFHSA-N 2 2 304.257 2.385 10 0 DEAELP Cc1nc(C[N@H+]2CC[C@@H](CC[NH3+])C2)sc1Br ZINC000723686272 777161932 /nfs/dbraw/zinc/16/19/32/777161932.db2.gz HHHVRSJNRUCPMD-SECBINFHSA-N 2 2 304.257 2.385 10 0 DEAELP Cc1nc(C[N@@H+]2CC[C@H](CC[NH3+])C2)sc1Br ZINC000723686275 777162036 /nfs/dbraw/zinc/16/20/36/777162036.db2.gz HHHVRSJNRUCPMD-VIFPVBQESA-N 2 2 304.257 2.385 10 0 DEAELP Cc1nc(C[N@H+]2CC[C@H](CC[NH3+])C2)sc1Br ZINC000723686275 777162042 /nfs/dbraw/zinc/16/20/42/777162042.db2.gz HHHVRSJNRUCPMD-VIFPVBQESA-N 2 2 304.257 2.385 10 0 DEAELP c1cn(-c2ccc(C[NH2+]CCCC[NH+]3CCOCC3)cc2)c[nH+]1 ZINC000078455513 1080616502 /nfs/dbraw/zinc/61/65/02/1080616502.db2.gz CLRNNWDAQVIFGK-UHFFFAOYSA-N 3 2 314.433 2.074 10 0 DEAELP CC(C)([NH3+])C(C)(C)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000087627910 185229529 /nfs/dbraw/zinc/22/95/29/185229529.db2.gz GWKROLVLCRIRIY-UHFFFAOYSA-N 2 2 309.479 2.156 10 0 DEAELP COCCC[C@H]([NH3+])C[NH2+]Cc1sccc1Br ZINC000088006185 185237976 /nfs/dbraw/zinc/23/79/76/185237976.db2.gz OYKXPHPKRVGRBB-VIFPVBQESA-N 2 2 307.257 2.354 10 0 DEAELP C[NH2+][C@](C)(CCC[NH+]1CCC(C(F)(F)F)CC1)C(=O)OC ZINC000088435521 185250517 /nfs/dbraw/zinc/25/05/17/185250517.db2.gz YUSIWYZKKUNAEN-CYBMUJFWSA-N 2 2 310.360 2.192 10 0 DEAELP CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2C[N@@H+]1Cc1nc(-c2ccsc2)no1 ZINC000090333413 185291716 /nfs/dbraw/zinc/29/17/16/185291716.db2.gz XNSDHPFRUZFRNI-JHJVBQTASA-N 2 2 304.419 2.228 10 0 DEAELP CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2C[N@H+]1Cc1nc(-c2ccsc2)no1 ZINC000090333413 185291717 /nfs/dbraw/zinc/29/17/17/185291717.db2.gz XNSDHPFRUZFRNI-JHJVBQTASA-N 2 2 304.419 2.228 10 0 DEAELP CC1(C)[C@@H]2C[NH2+]C[C@H]2C[N@@H+]1Cc1nc(-c2ccsc2)no1 ZINC000090338333 185291996 /nfs/dbraw/zinc/29/19/96/185291996.db2.gz NHWFELTXSSAQBI-NWDGAFQWSA-N 2 2 304.419 2.228 10 0 DEAELP CC1(C)[C@@H]2C[NH2+]C[C@H]2C[N@H+]1Cc1nc(-c2ccsc2)no1 ZINC000090338333 185291997 /nfs/dbraw/zinc/29/19/97/185291997.db2.gz NHWFELTXSSAQBI-NWDGAFQWSA-N 2 2 304.419 2.228 10 0 DEAELP CN(Cc1ccccc1Br)[C@H](C[NH3+])c1c[nH+]cn1C ZINC000090167506 185284536 /nfs/dbraw/zinc/28/45/36/185284536.db2.gz BYQZYLJCYIZCPG-CYBMUJFWSA-N 2 2 323.238 2.314 10 0 DEAELP NC(=O)c1csc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000092812890 185343295 /nfs/dbraw/zinc/34/32/95/185343295.db2.gz WVABAKBHCTTYMI-GFCCVEGCSA-N 2 2 316.430 2.176 10 0 DEAELP NC(=O)c1csc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000092812890 185343296 /nfs/dbraw/zinc/34/32/96/185343296.db2.gz WVABAKBHCTTYMI-GFCCVEGCSA-N 2 2 316.430 2.176 10 0 DEAELP CC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000181987755 199371747 /nfs/dbraw/zinc/37/17/47/199371747.db2.gz QVFLABPYUKXXRH-RDTXWAMCSA-N 2 2 319.449 2.142 10 0 DEAELP C[C@@H]([NH2+]CCn1cc[nH+]c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000279679751 215054979 /nfs/dbraw/zinc/05/49/79/215054979.db2.gz GXSDHHHSSJHDDB-KGLIPLIRSA-N 2 2 308.426 2.118 10 0 DEAELP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC000162458990 539597022 /nfs/dbraw/zinc/59/70/22/539597022.db2.gz BURWDFXSGOAFBA-ZFWWWQNUSA-N 2 2 320.481 2.450 10 0 DEAELP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC000162458990 539597026 /nfs/dbraw/zinc/59/70/26/539597026.db2.gz BURWDFXSGOAFBA-ZFWWWQNUSA-N 2 2 320.481 2.450 10 0 DEAELP [NH3+]C[C@H]([NH2+]C[C@H]1CCCO1)c1ccc(Br)s1 ZINC000083774174 192382642 /nfs/dbraw/zinc/38/26/42/192382642.db2.gz KMQFJYVDTSCPCA-BDAKNGLRSA-N 2 2 305.241 2.279 10 0 DEAELP COC[C@H](C)C[NH+]1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000189591707 356215836 /nfs/dbraw/zinc/21/58/36/356215836.db2.gz ANCHDBLJBMMACW-CQSZACIVSA-N 2 2 306.454 2.313 10 0 DEAELP C[NH2+][C@@H](C)c1csc(N2CCN(c3cccc[nH+]3)CC2)n1 ZINC000080804614 192192603 /nfs/dbraw/zinc/19/26/03/192192603.db2.gz QBTIUDJUSOROBJ-LBPRGKRZSA-N 2 2 303.435 2.145 10 0 DEAELP C[C@H]1CCC[C@]([NH3+])(C[NH2+]Cc2ccc(S(C)(=O)=O)cc2)C1 ZINC000080934496 192203244 /nfs/dbraw/zinc/20/32/44/192203244.db2.gz SDFWYGIEIAICAO-XJKSGUPXSA-N 2 2 310.463 2.087 10 0 DEAELP CCOCC[N@@H+]1CCN(Cc2cccc3[nH+]ccn32)C[C@H]1CC ZINC000180087650 199115792 /nfs/dbraw/zinc/11/57/92/199115792.db2.gz UJKOURNXIWGTGI-MRXNPFEDSA-N 2 2 316.449 2.267 10 0 DEAELP CCOCC[N@H+]1CCN(Cc2cccc3[nH+]ccn32)C[C@H]1CC ZINC000180087650 199115794 /nfs/dbraw/zinc/11/57/94/199115794.db2.gz UJKOURNXIWGTGI-MRXNPFEDSA-N 2 2 316.449 2.267 10 0 DEAELP Brc1ccnc2c1C[N@H+](CCCn1cc[nH+]c1)CC2 ZINC000623287337 364967513 /nfs/dbraw/zinc/96/75/13/364967513.db2.gz YTTYKSSHQMOLDA-UHFFFAOYSA-N 2 2 321.222 2.489 10 0 DEAELP Brc1ccnc2c1C[N@@H+](CCCn1cc[nH+]c1)CC2 ZINC000623287337 364967519 /nfs/dbraw/zinc/96/75/19/364967519.db2.gz YTTYKSSHQMOLDA-UHFFFAOYSA-N 2 2 321.222 2.489 10 0 DEAELP [NH3+]C[C@H](CC(=O)N1CCCC1)[N@H+](Cc1cccs1)C1CC1 ZINC000091323422 193040038 /nfs/dbraw/zinc/04/00/38/193040038.db2.gz HBEWWZUKLAEQDZ-AWEZNQCLSA-N 2 2 307.463 2.052 10 0 DEAELP [NH3+]C[C@H](CC(=O)N1CCCC1)[N@@H+](Cc1cccs1)C1CC1 ZINC000091323422 193040040 /nfs/dbraw/zinc/04/00/40/193040040.db2.gz HBEWWZUKLAEQDZ-AWEZNQCLSA-N 2 2 307.463 2.052 10 0 DEAELP CC[N@H+](Cc1cccs1)[C@@H](C[NH3+])CC(=O)N1CCCCC1 ZINC000091325268 193040957 /nfs/dbraw/zinc/04/09/57/193040957.db2.gz NFFQCXRFQOGRHP-CQSZACIVSA-N 2 2 309.479 2.300 10 0 DEAELP CC[N@@H+](Cc1cccs1)[C@@H](C[NH3+])CC(=O)N1CCCCC1 ZINC000091325268 193040960 /nfs/dbraw/zinc/04/09/60/193040960.db2.gz NFFQCXRFQOGRHP-CQSZACIVSA-N 2 2 309.479 2.300 10 0 DEAELP CCC[NH2+][C@H](CCCS(=O)(=O)CC)[C@](C)(CC)[NH+](C)C ZINC000091571699 193074151 /nfs/dbraw/zinc/07/41/51/193074151.db2.gz VXKZPOJSVKBPMJ-CABCVRRESA-N 2 2 306.516 2.300 10 0 DEAELP C[NH2+][C@@H](CCCS(C)(=O)=O)C(C)(C)[NH+]1CCCCCC1 ZINC000091568303 193074227 /nfs/dbraw/zinc/07/42/27/193074227.db2.gz WLDYVFJKRPWXAC-AWEZNQCLSA-N 2 2 304.500 2.054 10 0 DEAELP CCS(=O)(=O)CCC[C@@H]([NH2+]C)C1([NH+](C)C)CCCCCC1 ZINC000091654376 193085125 /nfs/dbraw/zinc/08/51/25/193085125.db2.gz YVPNYYVUGMDMPU-OAHLLOKOSA-N 2 2 318.527 2.444 10 0 DEAELP C[C@@H]1C[N@H+](CC(=O)Nc2ccc(Cl)c(Cl)c2)C[C@@H]1C[NH3+] ZINC000631845070 368421125 /nfs/dbraw/zinc/42/11/25/368421125.db2.gz SDHDBBHFGVGDDR-ZJUUUORDSA-N 2 2 316.232 2.459 10 0 DEAELP C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(Cl)c(Cl)c2)C[C@@H]1C[NH3+] ZINC000631845070 368421132 /nfs/dbraw/zinc/42/11/32/368421132.db2.gz SDHDBBHFGVGDDR-ZJUUUORDSA-N 2 2 316.232 2.459 10 0 DEAELP Cn1c[nH+]cc1[C@H]1CNC(=[NH2+])N1c1cccc(Br)c1 ZINC000093387584 193242312 /nfs/dbraw/zinc/24/23/12/193242312.db2.gz AEEHAJSSHJKOHD-GFCCVEGCSA-N 2 2 320.194 2.268 10 0 DEAELP CCC[NH2+][C@H]1CCC[C@@H]([NH+]2CCN(CC(F)(F)F)CC2)C1 ZINC000093730403 193298096 /nfs/dbraw/zinc/29/80/96/193298096.db2.gz FXILALRBOZSLIE-UONOGXRCSA-N 2 2 307.404 2.477 10 0 DEAELP C[N@H+](CCS(C)(=O)=O)Cc1ccc(C[NH2+]C(C)(C)C)cc1 ZINC000094300806 193358552 /nfs/dbraw/zinc/35/85/52/193358552.db2.gz PFIVFZDJBGUISI-UHFFFAOYSA-N 2 2 312.479 2.051 10 0 DEAELP C[N@@H+](CCS(C)(=O)=O)Cc1ccc(C[NH2+]C(C)(C)C)cc1 ZINC000094300806 193358554 /nfs/dbraw/zinc/35/85/54/193358554.db2.gz PFIVFZDJBGUISI-UHFFFAOYSA-N 2 2 312.479 2.051 10 0 DEAELP C[NH2+][C@@H]1[C@H](C[NH+]2CCN(c3nccs3)CC2)CCC1(C)C ZINC000094315992 193359616 /nfs/dbraw/zinc/35/96/16/193359616.db2.gz SKPZDFSHAIAGIO-UONOGXRCSA-N 2 2 308.495 2.289 10 0 DEAELP CC[NH+](CC)CCCNC(=O)Cc1cn2cc(Cl)ccc2[nH+]1 ZINC000041287416 183183037 /nfs/dbraw/zinc/18/30/37/183183037.db2.gz IQFUHEORYZKMQL-UHFFFAOYSA-N 2 2 322.840 2.378 10 0 DEAELP Cn1cc[nH+]c1[C@@H](NC(=O)CC[NH+](C)C)c1cccc(Cl)c1 ZINC000041536412 183199915 /nfs/dbraw/zinc/19/99/15/183199915.db2.gz CZOIXMAPZRUGIB-HNNXBMFYSA-N 2 2 320.824 2.231 10 0 DEAELP CC[C@H]([NH3+])[C@H](c1cccc(Cl)c1)[NH+]1CCC(C(N)=O)CC1 ZINC000042975093 183325334 /nfs/dbraw/zinc/32/53/34/183325334.db2.gz ICVHTOFLJJWAOJ-GJZGRUSLSA-N 2 2 309.841 2.316 10 0 DEAELP CCC[N@H+](CCO)[C@@H](C[NH3+])c1cc(Br)cs1 ZINC000043286604 183350563 /nfs/dbraw/zinc/35/05/63/183350563.db2.gz JKCQUFIBVJBYDE-JTQLQIEISA-N 2 2 307.257 2.215 10 0 DEAELP CCC[N@@H+](CCO)[C@@H](C[NH3+])c1cc(Br)cs1 ZINC000043286604 183350566 /nfs/dbraw/zinc/35/05/66/183350566.db2.gz JKCQUFIBVJBYDE-JTQLQIEISA-N 2 2 307.257 2.215 10 0 DEAELP CC[NH2+][C@@H]1CCCC[C@H]1C[NH+]1CCN(c2nccs2)CC1 ZINC000060743419 184155416 /nfs/dbraw/zinc/15/54/16/184155416.db2.gz XXANTIFXPYCVTI-LSDHHAIUSA-N 2 2 308.495 2.433 10 0 DEAELP CC[NH+](CC)c1ccc(NS(=O)(=O)C[C@H]2CCC[NH2+]2)cc1 ZINC000062996939 184264781 /nfs/dbraw/zinc/26/47/81/184264781.db2.gz COZIOOHGQINBBK-CQSZACIVSA-N 2 2 311.451 2.027 10 0 DEAELP c1csc(C[N@@H+]2CCO[C@H]3C[NH+](C4CCOCC4)C[C@H]3C2)c1 ZINC000247818063 257117371 /nfs/dbraw/zinc/11/73/71/257117371.db2.gz FIUQQUMOASVMHH-PBHICJAKSA-N 2 2 322.474 2.060 10 0 DEAELP c1csc(C[N@H+]2CCO[C@H]3C[NH+](C4CCOCC4)C[C@H]3C2)c1 ZINC000247818063 257117372 /nfs/dbraw/zinc/11/73/72/257117372.db2.gz FIUQQUMOASVMHH-PBHICJAKSA-N 2 2 322.474 2.060 10 0 DEAELP c1csc(C[NH+]2CCO[C@H]3C[N@@H+](C4CCOCC4)C[C@H]3C2)c1 ZINC000247818063 257117373 /nfs/dbraw/zinc/11/73/73/257117373.db2.gz FIUQQUMOASVMHH-PBHICJAKSA-N 2 2 322.474 2.060 10 0 DEAELP c1csc(C[NH+]2CCO[C@H]3C[N@H+](C4CCOCC4)C[C@H]3C2)c1 ZINC000247818063 257117374 /nfs/dbraw/zinc/11/73/74/257117374.db2.gz FIUQQUMOASVMHH-PBHICJAKSA-N 2 2 322.474 2.060 10 0 DEAELP Cc1cc[nH+]c(NC[C@H]2CCN(c3nc[nH+]c(N)c3Cl)C2)c1 ZINC000372968500 133372343 /nfs/dbraw/zinc/37/23/43/133372343.db2.gz SHTMKDSFIOXGHW-LLVKDONJSA-N 2 2 318.812 2.354 10 0 DEAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(-n3cc[nH+]c3)nc2)[C@@H](C)C1 ZINC000246402947 145101636 /nfs/dbraw/zinc/10/16/36/145101636.db2.gz AOXWVKZEGZIEHL-DOTOQJQBSA-N 3 2 313.449 2.429 10 0 DEAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(-n3cc[nH+]c3)nc2)[C@@H](C)C1 ZINC000246402947 145101637 /nfs/dbraw/zinc/10/16/37/145101637.db2.gz AOXWVKZEGZIEHL-DOTOQJQBSA-N 3 2 313.449 2.429 10 0 DEAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(-n3cc[nH+]c3)nc2)[C@@H](C)C1 ZINC000246402947 145101638 /nfs/dbraw/zinc/10/16/38/145101638.db2.gz AOXWVKZEGZIEHL-DOTOQJQBSA-N 3 2 313.449 2.429 10 0 DEAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(-n3cc[nH+]c3)nc2)[C@@H](C)C1 ZINC000246402947 145101639 /nfs/dbraw/zinc/10/16/39/145101639.db2.gz AOXWVKZEGZIEHL-DOTOQJQBSA-N 3 2 313.449 2.429 10 0 DEAELP COc1c(C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c(C)nn1C ZINC000246437416 145102988 /nfs/dbraw/zinc/10/29/88/145102988.db2.gz NDUYSAGCWLZMHR-WFASDCNBSA-N 2 2 303.410 2.017 10 0 DEAELP COc1c(C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c(C)nn1C ZINC000246437416 145102991 /nfs/dbraw/zinc/10/29/91/145102991.db2.gz NDUYSAGCWLZMHR-WFASDCNBSA-N 2 2 303.410 2.017 10 0 DEAELP Cc1ccc2[nH+]cc(C[N@@H+]3CCS[C@@H]4COCC[C@H]43)n2c1 ZINC000247067035 145124768 /nfs/dbraw/zinc/12/47/68/145124768.db2.gz VNWWSJBGMZMNEJ-HUUCEWRRSA-N 2 2 303.431 2.349 10 0 DEAELP Cc1ccc2[nH+]cc(C[N@H+]3CCS[C@@H]4COCC[C@H]43)n2c1 ZINC000247067035 145124770 /nfs/dbraw/zinc/12/47/70/145124770.db2.gz VNWWSJBGMZMNEJ-HUUCEWRRSA-N 2 2 303.431 2.349 10 0 DEAELP CN(Cc1cccs1)C(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000247949327 145145554 /nfs/dbraw/zinc/14/55/54/145145554.db2.gz DWVJLXBLMVCVCH-GDBMZVCRSA-N 2 2 321.490 2.123 10 0 DEAELP CN(Cc1cccs1)C(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000247949327 145145555 /nfs/dbraw/zinc/14/55/55/145145555.db2.gz DWVJLXBLMVCVCH-GDBMZVCRSA-N 2 2 321.490 2.123 10 0 DEAELP CN(Cc1cccs1)C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000247949327 145145556 /nfs/dbraw/zinc/14/55/56/145145556.db2.gz DWVJLXBLMVCVCH-GDBMZVCRSA-N 2 2 321.490 2.123 10 0 DEAELP CN(Cc1cccs1)C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000247949327 145145557 /nfs/dbraw/zinc/14/55/57/145145557.db2.gz DWVJLXBLMVCVCH-GDBMZVCRSA-N 2 2 321.490 2.123 10 0 DEAELP COc1cc(C[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cc2c1OCCO2 ZINC000261783704 145225933 /nfs/dbraw/zinc/22/59/33/145225933.db2.gz UGBZVATUTQHASJ-OAHLLOKOSA-N 2 2 306.406 2.026 10 0 DEAELP COc1cc(C[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cc2c1OCCO2 ZINC000261783704 145225934 /nfs/dbraw/zinc/22/59/34/145225934.db2.gz UGBZVATUTQHASJ-OAHLLOKOSA-N 2 2 306.406 2.026 10 0 DEAELP C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261790739 145226623 /nfs/dbraw/zinc/22/66/23/145226623.db2.gz NMMKSLSHCNJYTJ-IUODEOHRSA-N 2 2 323.868 2.404 10 0 DEAELP C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261790739 145226624 /nfs/dbraw/zinc/22/66/24/145226624.db2.gz NMMKSLSHCNJYTJ-IUODEOHRSA-N 2 2 323.868 2.404 10 0 DEAELP Cc1ccc(C)c(NC(=O)C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000261851061 145233972 /nfs/dbraw/zinc/23/39/72/145233972.db2.gz DNMRVHHBJFAKMJ-XYPWUTKMSA-N 2 2 301.434 2.457 10 0 DEAELP Cc1ccc(C)c(NC(=O)C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000261851061 145233974 /nfs/dbraw/zinc/23/39/74/145233974.db2.gz DNMRVHHBJFAKMJ-XYPWUTKMSA-N 2 2 301.434 2.457 10 0 DEAELP Cc1ccccc1CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261872752 145236245 /nfs/dbraw/zinc/23/62/45/145236245.db2.gz TVBGQKRLOKKGTH-GDBMZVCRSA-N 2 2 303.450 2.059 10 0 DEAELP Cc1ccccc1CNC(=O)[C@@H](C)[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261872752 145236249 /nfs/dbraw/zinc/23/62/49/145236249.db2.gz TVBGQKRLOKKGTH-GDBMZVCRSA-N 2 2 303.450 2.059 10 0 DEAELP C[C@H](c1nc(-c2cccnc2)no1)[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261928210 145243475 /nfs/dbraw/zinc/24/34/75/145243475.db2.gz ZNMPTLLGGGFDBZ-YPMHNXCESA-N 2 2 301.394 2.252 10 0 DEAELP C[C@H](c1nc(-c2cccnc2)no1)[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261928210 145243477 /nfs/dbraw/zinc/24/34/77/145243477.db2.gz ZNMPTLLGGGFDBZ-YPMHNXCESA-N 2 2 301.394 2.252 10 0 DEAELP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc3c(c2)sc(=O)n3C)C1 ZINC000261939237 145244781 /nfs/dbraw/zinc/24/47/81/145244781.db2.gz MLIVHLQRJHCHBJ-CYBMUJFWSA-N 2 2 305.447 2.031 10 0 DEAELP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc3c(c2)sc(=O)n3C)C1 ZINC000261939237 145244782 /nfs/dbraw/zinc/24/47/82/145244782.db2.gz MLIVHLQRJHCHBJ-CYBMUJFWSA-N 2 2 305.447 2.031 10 0 DEAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262059107 145258550 /nfs/dbraw/zinc/25/85/50/145258550.db2.gz QYJPBRPALSFRRC-RDJZCZTQSA-N 3 2 322.522 2.205 10 0 DEAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262059107 145258551 /nfs/dbraw/zinc/25/85/51/145258551.db2.gz QYJPBRPALSFRRC-RDJZCZTQSA-N 3 2 322.522 2.205 10 0 DEAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262059107 145258554 /nfs/dbraw/zinc/25/85/54/145258554.db2.gz QYJPBRPALSFRRC-RDJZCZTQSA-N 3 2 322.522 2.205 10 0 DEAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262059107 145258556 /nfs/dbraw/zinc/25/85/56/145258556.db2.gz QYJPBRPALSFRRC-RDJZCZTQSA-N 3 2 322.522 2.205 10 0 DEAELP Cc1ccc([C@@H]([NH3+])C(=O)NCc2[nH+]ccn2CC(C)C)cc1 ZINC000262611512 145296779 /nfs/dbraw/zinc/29/67/79/145296779.db2.gz BYINWUMJWMNGAI-MRXNPFEDSA-N 2 2 300.406 2.164 10 0 DEAELP CC[NH+](CC)Cc1cccc(NC(=O)[C@H]2CC(F)(F)C[NH2+]2)c1 ZINC000262950883 145313707 /nfs/dbraw/zinc/31/37/07/145313707.db2.gz JPWWXSHAQGFHFG-CQSZACIVSA-N 2 2 311.376 2.464 10 0 DEAELP Cc1ccc(N2CC[C@@H]([N@@H+]3CC[C@@H]([NH3+])C(C)(C)C3)C2=O)cc1 ZINC000261741059 292136500 /nfs/dbraw/zinc/13/65/00/292136500.db2.gz KMWMHSWAVTWPEJ-HZPDHXFCSA-N 2 2 301.434 2.160 10 0 DEAELP Cc1ccc(N2CC[C@@H]([N@H+]3CC[C@@H]([NH3+])C(C)(C)C3)C2=O)cc1 ZINC000261741059 292136502 /nfs/dbraw/zinc/13/65/02/292136502.db2.gz KMWMHSWAVTWPEJ-HZPDHXFCSA-N 2 2 301.434 2.160 10 0 DEAELP C[C@H](NC(=O)C1CC[NH+](C)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000074173944 401732635 /nfs/dbraw/zinc/73/26/35/401732635.db2.gz DSAKNUHRRRUCGA-AWEZNQCLSA-N 2 2 312.417 2.391 10 0 DEAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)c2ccncc2)nc[nH+]1 ZINC000111227153 401701323 /nfs/dbraw/zinc/70/13/23/401701323.db2.gz NBPAKKRERLVBBF-HIFRSBDPSA-N 2 2 312.421 2.233 10 0 DEAELP CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc3[nH+]ccn3c2)[C@H](C)C1 ZINC000076484297 401796352 /nfs/dbraw/zinc/79/63/52/401796352.db2.gz KBEFIWLZCJDERJ-HIFRSBDPSA-N 2 2 300.406 2.137 10 0 DEAELP CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc3[nH+]ccn3c2)[C@H](C)C1 ZINC000076484297 401796354 /nfs/dbraw/zinc/79/63/54/401796354.db2.gz KBEFIWLZCJDERJ-HIFRSBDPSA-N 2 2 300.406 2.137 10 0 DEAELP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000118782713 401907664 /nfs/dbraw/zinc/90/76/64/401907664.db2.gz WBIWUCGEKVRKKL-MRXNPFEDSA-N 2 2 304.438 2.310 10 0 DEAELP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000118782713 401907665 /nfs/dbraw/zinc/90/76/65/401907665.db2.gz WBIWUCGEKVRKKL-MRXNPFEDSA-N 2 2 304.438 2.310 10 0 DEAELP CCO[C@@H](C)c1noc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)n1 ZINC000120670531 401997493 /nfs/dbraw/zinc/99/74/93/401997493.db2.gz HUSWUPQABQIXQR-AWEZNQCLSA-N 2 2 322.453 2.475 10 0 DEAELP [NH3+]CC[N@@H+]1CCC2(C1)CCN(C(=O)OCc1ccccc1)CC2 ZINC000095077570 402024038 /nfs/dbraw/zinc/02/40/38/402024038.db2.gz DVCIWEJWRQQKHG-UHFFFAOYSA-N 2 2 317.433 2.070 10 0 DEAELP [NH3+]CC[N@H+]1CCC2(C1)CCN(C(=O)OCc1ccccc1)CC2 ZINC000095077570 402024040 /nfs/dbraw/zinc/02/40/40/402024040.db2.gz DVCIWEJWRQQKHG-UHFFFAOYSA-N 2 2 317.433 2.070 10 0 DEAELP COc1ccc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)c(OC)c1 ZINC000151324334 402029834 /nfs/dbraw/zinc/02/98/34/402029834.db2.gz DAERQODRIWURSF-GJZGRUSLSA-N 2 2 322.449 2.201 10 0 DEAELP CCN(CC)C(=O)C[C@H](C)[NH2+]Cc1cccnc1-n1cc[nH+]c1 ZINC000151533252 402041995 /nfs/dbraw/zinc/04/19/95/402041995.db2.gz QATRHDOFGOCTAL-AWEZNQCLSA-N 2 2 315.421 2.004 10 0 DEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@H](C(N)=O)c1ccc(F)cc1 ZINC000154541096 402217643 /nfs/dbraw/zinc/21/76/43/402217643.db2.gz HWVJLMVCJZWEHJ-HOTGVXAUSA-N 2 2 316.380 2.022 10 0 DEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@H](C(N)=O)c1ccc(F)cc1 ZINC000154541096 402217644 /nfs/dbraw/zinc/21/76/44/402217644.db2.gz HWVJLMVCJZWEHJ-HOTGVXAUSA-N 2 2 316.380 2.022 10 0 DEAELP CC[NH+](CC)[C@H](C)CNC(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000069401674 402221957 /nfs/dbraw/zinc/22/19/57/402221957.db2.gz CQPRZRBAUZMFSO-CQSZACIVSA-N 2 2 317.437 2.172 10 0 DEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000176321443 402299425 /nfs/dbraw/zinc/29/94/25/402299425.db2.gz RGFNIDRYSWWBBT-HUUCEWRRSA-N 2 2 321.469 2.211 10 0 DEAELP C[N@@H+]1CCC[C@H]1C[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000230195647 402349107 /nfs/dbraw/zinc/34/91/07/402349107.db2.gz ABTXLUQYYVBAID-HNNXBMFYSA-N 2 2 311.470 2.317 10 0 DEAELP C[N@H+]1CCC[C@H]1C[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000230195647 402349109 /nfs/dbraw/zinc/34/91/09/402349109.db2.gz ABTXLUQYYVBAID-HNNXBMFYSA-N 2 2 311.470 2.317 10 0 DEAELP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)c1ccc2[nH+]ccn2c1 ZINC000177221505 402383011 /nfs/dbraw/zinc/38/30/11/402383011.db2.gz ZDXGVBYWFQHBAY-OAHLLOKOSA-N 2 2 309.373 2.144 10 0 DEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ccc(-n2ccnc2)nc1 ZINC000177372558 402395439 /nfs/dbraw/zinc/39/54/39/402395439.db2.gz UGWXWNKJFFMOOB-KRWDZBQOSA-N 2 2 322.416 2.437 10 0 DEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1ccc(-n2ccnc2)nc1 ZINC000177372558 402395443 /nfs/dbraw/zinc/39/54/43/402395443.db2.gz UGWXWNKJFFMOOB-KRWDZBQOSA-N 2 2 322.416 2.437 10 0 DEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177372558 402395446 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C(C[NH+]1CCOCC1)N1CCC([NH2+]C2CCC3(CC3)CC2)CC1 ZINC000559959585 405763900 /nfs/dbraw/zinc/76/39/00/405763900.db2.gz XTYMVELWFVFKLK-UHFFFAOYSA-N 2 2 321.509 2.095 10 0 DEAELP C(C[NH+]1CCC([NH2+]C2CCC3(CC3)CC2)CC1)N1CCOCC1 ZINC000559959585 405763905 /nfs/dbraw/zinc/76/39/05/405763905.db2.gz XTYMVELWFVFKLK-UHFFFAOYSA-N 2 2 321.509 2.095 10 0 DEAELP c1ccc(C[N@@H+]2CCCO[C@H](C[NH+]3C[C@@H]4C[C@H]3CS4)C2)cc1 ZINC000459784542 406045339 /nfs/dbraw/zinc/04/53/39/406045339.db2.gz AEUDCQMPYYSGEX-BZSNNMDCSA-N 2 2 318.486 2.467 10 0 DEAELP c1ccc(C[N@H+]2CCCO[C@H](C[NH+]3C[C@@H]4C[C@H]3CS4)C2)cc1 ZINC000459784542 406045346 /nfs/dbraw/zinc/04/53/46/406045346.db2.gz AEUDCQMPYYSGEX-BZSNNMDCSA-N 2 2 318.486 2.467 10 0 DEAELP c1ccc(C[NH+]2CCCO[C@H](C[N@@H+]3C[C@@H]4C[C@H]3CS4)C2)cc1 ZINC000459784542 406045350 /nfs/dbraw/zinc/04/53/50/406045350.db2.gz AEUDCQMPYYSGEX-BZSNNMDCSA-N 2 2 318.486 2.467 10 0 DEAELP c1ccc(C[NH+]2CCCO[C@H](C[N@H+]3C[C@@H]4C[C@H]3CS4)C2)cc1 ZINC000459784542 406045355 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c1ccc(-c2noc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)n2)nc1 ZINC000391115445 424918974 /nfs/dbraw/zinc/91/89/74/424918974.db2.gz GZVMVTXWWFARDE-ZIAGYGMSSA-N 2 2 313.405 2.096 10 0 DEAELP CC1(C)CCC[NH2+][C@@H]1C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000262392047 275814898 /nfs/dbraw/zinc/81/48/98/275814898.db2.gz BJVNYLINCHVKBC-OAHLLOKOSA-N 2 2 321.490 2.171 10 0 DEAELP C[C@]1([NH3+])CCCC[C@@H]1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000263228083 280165209 /nfs/dbraw/zinc/16/52/09/280165209.db2.gz NBMFXVXAPCBBHF-QAPCUYQASA-N 2 2 316.449 2.074 10 0 DEAELP Cc1nnc([C@H](C)[N@@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)[nH]1 ZINC000408466856 293377688 /nfs/dbraw/zinc/37/76/88/293377688.db2.gz MRAHYLFGMNWVFL-WCQYABFASA-N 2 2 300.410 2.196 10 0 DEAELP Cc1nnc([C@H](C)[N@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)[nH]1 ZINC000408466856 293377691 /nfs/dbraw/zinc/37/76/91/293377691.db2.gz MRAHYLFGMNWVFL-WCQYABFASA-N 2 2 300.410 2.196 10 0 DEAELP [NH3+]Cc1nc(C[N@@H+]2CCC[C@]3(CCCc4ccccc43)C2)no1 ZINC000262309302 295279789 /nfs/dbraw/zinc/27/97/89/295279789.db2.gz YRHXVKACFOYFDT-GOSISDBHSA-N 2 2 312.417 2.398 10 0 DEAELP [NH3+]Cc1nc(C[N@H+]2CCC[C@]3(CCCc4ccccc43)C2)no1 ZINC000262309302 295279790 /nfs/dbraw/zinc/27/97/90/295279790.db2.gz YRHXVKACFOYFDT-GOSISDBHSA-N 2 2 312.417 2.398 10 0 DEAELP CC(C)[N@H+](C)CC(=O)NCC[NH+]1CCc2c(Cl)cccc2C1 ZINC000189406178 528812292 /nfs/dbraw/zinc/81/22/92/528812292.db2.gz UFDIDNAXKOWCNN-UHFFFAOYSA-N 2 2 323.868 2.155 10 0 DEAELP CC(C)[N@@H+](C)CC(=O)NCC[NH+]1CCc2c(Cl)cccc2C1 ZINC000189406178 528812297 /nfs/dbraw/zinc/81/22/97/528812297.db2.gz UFDIDNAXKOWCNN-UHFFFAOYSA-N 2 2 323.868 2.155 10 0 DEAELP CC(C)[NH+](C)CC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000189406178 528812299 /nfs/dbraw/zinc/81/22/99/528812299.db2.gz UFDIDNAXKOWCNN-UHFFFAOYSA-N 2 2 323.868 2.155 10 0 DEAELP CC(C)[NH+](C)CC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000189406178 528812303 /nfs/dbraw/zinc/81/23/03/528812303.db2.gz UFDIDNAXKOWCNN-UHFFFAOYSA-N 2 2 323.868 2.155 10 0 DEAELP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000372392137 535567963 /nfs/dbraw/zinc/56/79/63/535567963.db2.gz ACEUEJVKIHUMDQ-UONOGXRCSA-N 2 2 318.465 2.239 10 0 DEAELP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000372392137 535567967 /nfs/dbraw/zinc/56/79/67/535567967.db2.gz ACEUEJVKIHUMDQ-UONOGXRCSA-N 2 2 318.465 2.239 10 0 DEAELP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000372392137 535567970 /nfs/dbraw/zinc/56/79/70/535567970.db2.gz ACEUEJVKIHUMDQ-UONOGXRCSA-N 2 2 318.465 2.239 10 0 DEAELP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000372392137 535567972 /nfs/dbraw/zinc/56/79/72/535567972.db2.gz ACEUEJVKIHUMDQ-UONOGXRCSA-N 2 2 318.465 2.239 10 0 DEAELP COc1ccc(-c2cnc(C[N@H+]3C[C@H]4C[NH+](C)C[C@H]4C3)o2)cc1 ZINC000193632971 536496085 /nfs/dbraw/zinc/49/60/85/536496085.db2.gz MCZRAGADJFPUKF-GASCZTMLSA-N 2 2 313.401 2.344 10 0 DEAELP COc1ccc(-c2cnc(C[N@@H+]3C[C@H]4C[NH+](C)C[C@H]4C3)o2)cc1 ZINC000193632971 536496093 /nfs/dbraw/zinc/49/60/93/536496093.db2.gz MCZRAGADJFPUKF-GASCZTMLSA-N 2 2 313.401 2.344 10 0 DEAELP COc1ccc(-c2cnc(C[NH+]3C[C@H]4C[N@@H+](C)C[C@H]4C3)o2)cc1 ZINC000193632971 536496097 /nfs/dbraw/zinc/49/60/97/536496097.db2.gz MCZRAGADJFPUKF-GASCZTMLSA-N 2 2 313.401 2.344 10 0 DEAELP COc1ccc(-c2cnc(C[NH+]3C[C@H]4C[N@H+](C)C[C@H]4C3)o2)cc1 ZINC000193632971 536496103 /nfs/dbraw/zinc/49/61/03/536496103.db2.gz MCZRAGADJFPUKF-GASCZTMLSA-N 2 2 313.401 2.344 10 0 DEAELP COC[C@](C)(CCO)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000192066273 536629826 /nfs/dbraw/zinc/62/98/26/536629826.db2.gz DLPNJBNUBMVWPP-KRWDZBQOSA-N 2 2 303.406 2.058 10 0 DEAELP COc1ccccc1NC(=O)C1CC[NH+](CC[NH2+]C(C)C)CC1 ZINC000193465433 537081011 /nfs/dbraw/zinc/08/10/11/537081011.db2.gz YXPTZQXBZAAPMA-UHFFFAOYSA-N 2 2 319.449 2.344 10 0 DEAELP CO[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390920344 685442624 /nfs/dbraw/zinc/44/26/24/685442624.db2.gz WXKMEMZSFYQPTD-CEXWTWQISA-N 2 2 318.461 2.435 10 0 DEAELP CO[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390920344 685442629 /nfs/dbraw/zinc/44/26/29/685442629.db2.gz WXKMEMZSFYQPTD-CEXWTWQISA-N 2 2 318.461 2.435 10 0 DEAELP c1cn(CC[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)c[nH+]1 ZINC000073649751 1080184888 /nfs/dbraw/zinc/18/48/88/1080184888.db2.gz DFBQGRFEHBUJCU-UHFFFAOYSA-N 3 2 314.433 2.148 10 0 DEAELP [NH3+]C[C@@]1(Nc2ccccc2Br)C[NH+]2CCC1CC2 ZINC000087914550 185237447 /nfs/dbraw/zinc/23/74/47/185237447.db2.gz OLCKWHKBYHZBAK-CQSZACIVSA-N 2 2 310.239 2.284 10 0 DEAELP CC[N@@H+]1CCC[C@@H]1CN(C)c1[nH+]c(C)cc(C)c1C(N)=S ZINC000092632008 185330411 /nfs/dbraw/zinc/33/04/11/185330411.db2.gz JSMOWRMYBVUYPD-CYBMUJFWSA-N 2 2 306.479 2.253 10 0 DEAELP CC[N@H+]1CCC[C@@H]1CN(C)c1[nH+]c(C)cc(C)c1C(N)=S ZINC000092632008 185330412 /nfs/dbraw/zinc/33/04/12/185330412.db2.gz JSMOWRMYBVUYPD-CYBMUJFWSA-N 2 2 306.479 2.253 10 0 DEAELP CCN(Cc1ccccc1Cl)C(=O)C[NH+]1CCC([NH3+])CC1 ZINC000092714098 185336000 /nfs/dbraw/zinc/33/60/00/185336000.db2.gz NIAOGSIUQSFUDZ-UHFFFAOYSA-N 2 2 309.841 2.112 10 0 DEAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccccc2OC)[C@@H](C)C1 ZINC000245433821 282387956 /nfs/dbraw/zinc/38/79/56/282387956.db2.gz PLJPXVFHZFIVPO-GOEBONIOSA-N 2 2 319.449 2.296 10 0 DEAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccccc2OC)[C@@H](C)C1 ZINC000245433821 282387959 /nfs/dbraw/zinc/38/79/59/282387959.db2.gz PLJPXVFHZFIVPO-GOEBONIOSA-N 2 2 319.449 2.296 10 0 DEAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccccc2OC)[C@@H](C)C1 ZINC000245433821 282387962 /nfs/dbraw/zinc/38/79/62/282387962.db2.gz PLJPXVFHZFIVPO-GOEBONIOSA-N 2 2 319.449 2.296 10 0 DEAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccccc2OC)[C@@H](C)C1 ZINC000245433821 282387966 /nfs/dbraw/zinc/38/79/66/282387966.db2.gz PLJPXVFHZFIVPO-GOEBONIOSA-N 2 2 319.449 2.296 10 0 DEAELP C[C@@H](C(=O)N(C)Cc1ccccc1)[NH+]1CCC([NH+](C)C)CC1 ZINC000193816910 539715298 /nfs/dbraw/zinc/71/52/98/539715298.db2.gz XKSJBUZEAPXNGS-HNNXBMFYSA-N 2 2 303.450 2.060 10 0 DEAELP CC[C@H]([NH3+])[C@@H](c1ccc(C)s1)[N@@H+]1CC[C@H](NC(=O)OC)C1 ZINC000133634287 186001580 /nfs/dbraw/zinc/00/15/80/186001580.db2.gz PUINNKDGSSLNKY-OBJOEFQTSA-N 2 2 311.451 2.265 10 0 DEAELP CC[C@H]([NH3+])[C@@H](c1ccc(C)s1)[N@H+]1CC[C@H](NC(=O)OC)C1 ZINC000133634287 186001581 /nfs/dbraw/zinc/00/15/81/186001581.db2.gz PUINNKDGSSLNKY-OBJOEFQTSA-N 2 2 311.451 2.265 10 0 DEAELP CSc1nc(N)cc(N2CCC(C[NH+]3CCCC3)CC2)[nH+]1 ZINC000149637748 186052101 /nfs/dbraw/zinc/05/21/01/186052101.db2.gz HYMGHSPXZDVSCC-UHFFFAOYSA-N 2 2 307.467 2.093 10 0 DEAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(Cl)cn2)[C@H](C)C1 ZINC000174777632 198383323 /nfs/dbraw/zinc/38/33/23/198383323.db2.gz QWFYDNYFEIEEFF-TZMCWYRMSA-N 2 2 324.856 2.336 10 0 DEAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(Cl)cn2)[C@H](C)C1 ZINC000174777632 198383324 /nfs/dbraw/zinc/38/33/24/198383324.db2.gz QWFYDNYFEIEEFF-TZMCWYRMSA-N 2 2 324.856 2.336 10 0 DEAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc(Cl)cn2)[C@H](C)C1 ZINC000174777632 198383325 /nfs/dbraw/zinc/38/33/25/198383325.db2.gz QWFYDNYFEIEEFF-TZMCWYRMSA-N 2 2 324.856 2.336 10 0 DEAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc(Cl)cn2)[C@H](C)C1 ZINC000174777632 198383326 /nfs/dbraw/zinc/38/33/26/198383326.db2.gz QWFYDNYFEIEEFF-TZMCWYRMSA-N 2 2 324.856 2.336 10 0 DEAELP CC[NH+](CC)CCCNC(=O)NCc1[nH+]ccn1CC(C)C ZINC000073437568 191316876 /nfs/dbraw/zinc/31/68/76/191316876.db2.gz WIDZQMBXBXEXKT-UHFFFAOYSA-N 2 2 309.458 2.070 10 0 DEAELP O=C(CC1CCCC1)NC1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000183177188 356162483 /nfs/dbraw/zinc/16/24/83/356162483.db2.gz UDKGQYTXVVVGPV-UHFFFAOYSA-N 2 2 318.465 2.434 10 0 DEAELP OCC[NH+]1CCC([NH2+]Cc2csc(Br)c2)CC1 ZINC000399097539 356721566 /nfs/dbraw/zinc/72/15/66/356721566.db2.gz YZVVTPBVZUVXCC-UHFFFAOYSA-N 2 2 319.268 2.057 10 0 DEAELP c1c[nH+]c([C@H]2CCC[N@@H+](Cc3cnnn3Cc3ccccc3)C2)[nH]1 ZINC000292555749 223146218 /nfs/dbraw/zinc/14/62/18/223146218.db2.gz NCGIKXHEQLOJSN-INIZCTEOSA-N 2 2 322.416 2.429 10 0 DEAELP c1c[nH+]c([C@H]2CCC[N@H+](Cc3cnnn3Cc3ccccc3)C2)[nH]1 ZINC000292555749 223146221 /nfs/dbraw/zinc/14/62/21/223146221.db2.gz NCGIKXHEQLOJSN-INIZCTEOSA-N 2 2 322.416 2.429 10 0 DEAELP C[NH+](C)CCn1cc(NCc2c[nH+]c3ccc(Cl)cn23)cn1 ZINC000606469849 361013227 /nfs/dbraw/zinc/01/32/27/361013227.db2.gz VEJHMWWOGSCJRG-UHFFFAOYSA-N 2 2 318.812 2.358 10 0 DEAELP c1cc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)n(CCc2ccccc2)n1 ZINC000621355841 364367408 /nfs/dbraw/zinc/36/74/08/364367408.db2.gz YZOLCHLHJRRKTD-INIZCTEOSA-N 2 2 321.428 2.496 10 0 DEAELP c1cc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)n(CCc2ccccc2)n1 ZINC000621355841 364367415 /nfs/dbraw/zinc/36/74/15/364367415.db2.gz YZOLCHLHJRRKTD-INIZCTEOSA-N 2 2 321.428 2.496 10 0 DEAELP c1ncn(-c2ccccc2C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)n1 ZINC000623727832 365149843 /nfs/dbraw/zinc/14/98/43/365149843.db2.gz PEZNKYMGGJPEJE-QGZVFWFLSA-N 2 2 311.433 2.374 10 0 DEAELP c1ncn(-c2ccccc2C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)n1 ZINC000623727832 365149847 /nfs/dbraw/zinc/14/98/47/365149847.db2.gz PEZNKYMGGJPEJE-QGZVFWFLSA-N 2 2 311.433 2.374 10 0 DEAELP C[NH2+]Cc1cc(Cl)cc(Cl)c1OC[C@@H]1C[N@H+](C)CCO1 ZINC000092054307 193149980 /nfs/dbraw/zinc/14/99/80/193149980.db2.gz TWYKIGFDORXHJP-LBPRGKRZSA-N 2 2 319.232 2.422 10 0 DEAELP C[NH2+]Cc1cc(Cl)cc(Cl)c1OC[C@@H]1C[N@@H+](C)CCO1 ZINC000092054307 193149982 /nfs/dbraw/zinc/14/99/82/193149982.db2.gz TWYKIGFDORXHJP-LBPRGKRZSA-N 2 2 319.232 2.422 10 0 DEAELP c1cc(OCC[NH+]2CCOCC2)ccc1C[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000631165132 368056204 /nfs/dbraw/zinc/05/62/04/368056204.db2.gz WUTWITMWKVCFOZ-BCDXTJNWSA-N 2 2 316.445 2.286 10 0 DEAELP CC[NH2+][C@@H](Cc1c(F)cccc1Cl)[C@H]1C[N@H+](C)CCN1C ZINC000093895497 193325596 /nfs/dbraw/zinc/32/55/96/193325596.db2.gz MZOSCTHQNVASSY-JKSUJKDBSA-N 2 2 313.848 2.246 10 0 DEAELP CC[NH2+][C@@H](Cc1c(F)cccc1Cl)[C@H]1C[N@@H+](C)CCN1C ZINC000093895497 193325598 /nfs/dbraw/zinc/32/55/98/193325598.db2.gz MZOSCTHQNVASSY-JKSUJKDBSA-N 2 2 313.848 2.246 10 0 DEAELP CCC[NH2+][C@@H](Cc1ccc(CC)s1)[C@H]1C[NH+]2CCN1CC2 ZINC000094510914 193376229 /nfs/dbraw/zinc/37/62/29/193376229.db2.gz AEZKNSVMOSYGHV-DLBZAZTESA-N 2 2 307.507 2.221 10 0 DEAELP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cnc(CC)o2)[C@@H](C)C1 ZINC000453391953 245112399 /nfs/dbraw/zinc/11/23/99/245112399.db2.gz QYDDYPNIDKSBEP-HOCLYGCPSA-N 2 2 309.454 2.464 10 0 DEAELP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cnc(CC)o2)[C@@H](C)C1 ZINC000453391953 245112416 /nfs/dbraw/zinc/11/24/16/245112416.db2.gz QYDDYPNIDKSBEP-HOCLYGCPSA-N 2 2 309.454 2.464 10 0 DEAELP CCOc1c(Cl)cc(C[NH2+]CC[NH2+]CCO)cc1Cl ZINC000020477685 182222330 /nfs/dbraw/zinc/22/23/30/182222330.db2.gz SBWHTTZMEBGHCW-UHFFFAOYSA-N 2 2 307.221 2.064 10 0 DEAELP C[N@H+](Cc1cccc(Br)c1)[C@H](C[NH3+])[C@@H]1CCOC1 ZINC000042440374 183270195 /nfs/dbraw/zinc/27/01/95/183270195.db2.gz ASANKWOHPJDXJE-TZMCWYRMSA-N 2 2 313.239 2.245 10 0 DEAELP C[N@@H+](Cc1cccc(Br)c1)[C@H](C[NH3+])[C@@H]1CCOC1 ZINC000042440374 183270196 /nfs/dbraw/zinc/27/01/96/183270196.db2.gz ASANKWOHPJDXJE-TZMCWYRMSA-N 2 2 313.239 2.245 10 0 DEAELP CC[C@H]([NH3+])[C@@H](c1sccc1C)[NH+]1CCC(C(=O)NC)CC1 ZINC000043248018 183346982 /nfs/dbraw/zinc/34/69/82/183346982.db2.gz MUXSEORDHDVPIF-KBPBESRZSA-N 2 2 309.479 2.293 10 0 DEAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC000043301622 183352577 /nfs/dbraw/zinc/35/25/77/183352577.db2.gz FEFTZTSSLICWLX-AWEZNQCLSA-N 2 2 323.868 2.324 10 0 DEAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC000043301622 183352578 /nfs/dbraw/zinc/35/25/78/183352578.db2.gz FEFTZTSSLICWLX-AWEZNQCLSA-N 2 2 323.868 2.324 10 0 DEAELP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000109755652 194283639 /nfs/dbraw/zinc/28/36/39/194283639.db2.gz RKZXYYHQIPZZBN-SFHVURJKSA-N 2 2 305.441 2.428 10 0 DEAELP C[N@H+]1CCCC[C@H]1CN1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000109755652 194283641 /nfs/dbraw/zinc/28/36/41/194283641.db2.gz RKZXYYHQIPZZBN-SFHVURJKSA-N 2 2 305.441 2.428 10 0 DEAELP C[C@H]([NH2+]C1CCS(=O)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000157912174 197225935 /nfs/dbraw/zinc/22/59/35/197225935.db2.gz OWGWWIZZFSLNAX-PCODGMICSA-N 2 2 303.431 2.434 10 0 DEAELP c1ccc(C[N@H+]2C[C@@H]3OC[C@@H](CNc4cccc[nH+]4)[C@@H]3C2)nc1 ZINC000248123094 257107929 /nfs/dbraw/zinc/10/79/29/257107929.db2.gz VVDROCJOTBOSNZ-PVAVHDDUSA-N 2 2 310.401 2.036 10 0 DEAELP c1ccc(C[N@@H+]2C[C@@H]3OC[C@@H](CNc4cccc[nH+]4)[C@@H]3C2)nc1 ZINC000248123094 257107930 /nfs/dbraw/zinc/10/79/30/257107930.db2.gz VVDROCJOTBOSNZ-PVAVHDDUSA-N 2 2 310.401 2.036 10 0 DEAELP C[C@@H]1C[N@H+](CCc2ccccc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000362703253 133246698 /nfs/dbraw/zinc/24/66/98/133246698.db2.gz PSHRBWKSGOPLCS-MJGOQNOKSA-N 2 2 301.478 2.187 10 0 DEAELP C[C@@H]1C[N@@H+](CCc2ccccc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000362703253 133246699 /nfs/dbraw/zinc/24/66/99/133246699.db2.gz PSHRBWKSGOPLCS-MJGOQNOKSA-N 2 2 301.478 2.187 10 0 DEAELP Cc1cccc(NC2CC[NH+]([C@H](C)c3nncn3C)CC2)[nH+]1 ZINC000376507156 133297764 /nfs/dbraw/zinc/29/77/64/133297764.db2.gz NVRRRSHNXBFYGD-CYBMUJFWSA-N 2 2 300.410 2.156 10 0 DEAELP CCCCNC(=O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000372563442 133358361 /nfs/dbraw/zinc/35/83/61/133358361.db2.gz KKBVZXTUOCQTJI-KRWDZBQOSA-N 2 2 309.498 2.491 10 0 DEAELP CCCCNC(=O)C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000372563442 133358362 /nfs/dbraw/zinc/35/83/62/133358362.db2.gz KKBVZXTUOCQTJI-KRWDZBQOSA-N 2 2 309.498 2.491 10 0 DEAELP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193633546 145088248 /nfs/dbraw/zinc/08/82/48/145088248.db2.gz VBUCNKSJDJYGAO-MELADBBJSA-N 2 2 321.852 2.469 10 0 DEAELP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193633546 145088249 /nfs/dbraw/zinc/08/82/49/145088249.db2.gz VBUCNKSJDJYGAO-MELADBBJSA-N 2 2 321.852 2.469 10 0 DEAELP Cc1c(Cl)cccc1NC(=O)[C@H](C)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193633546 145088250 /nfs/dbraw/zinc/08/82/50/145088250.db2.gz VBUCNKSJDJYGAO-MELADBBJSA-N 2 2 321.852 2.469 10 0 DEAELP Cc1c(Cl)cccc1NC(=O)[C@H](C)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193633546 145088251 /nfs/dbraw/zinc/08/82/51/145088251.db2.gz VBUCNKSJDJYGAO-MELADBBJSA-N 2 2 321.852 2.469 10 0 DEAELP C[C@H](C1CC1)N(C(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1)C1CC1 ZINC000246595973 145108192 /nfs/dbraw/zinc/10/81/92/145108192.db2.gz GBMWHAAOILMOKO-CPUCHLNUSA-N 2 2 307.482 2.190 10 0 DEAELP C[C@H](C1CC1)N(C(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1)C1CC1 ZINC000246595973 145108194 /nfs/dbraw/zinc/10/81/94/145108194.db2.gz GBMWHAAOILMOKO-CPUCHLNUSA-N 2 2 307.482 2.190 10 0 DEAELP C[C@H](C1CC1)N(C(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1)C1CC1 ZINC000246595973 145108196 /nfs/dbraw/zinc/10/81/96/145108196.db2.gz GBMWHAAOILMOKO-CPUCHLNUSA-N 2 2 307.482 2.190 10 0 DEAELP C[C@H](C1CC1)N(C(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1)C1CC1 ZINC000246595973 145108198 /nfs/dbraw/zinc/10/81/98/145108198.db2.gz GBMWHAAOILMOKO-CPUCHLNUSA-N 2 2 307.482 2.190 10 0 DEAELP CCO[C@H](C)c1noc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)n1 ZINC000246997568 145122231 /nfs/dbraw/zinc/12/22/31/145122231.db2.gz KMUFLOGHONRYCP-OCCSQVGLSA-N 2 2 319.409 2.337 10 0 DEAELP CCO[C@H](C)c1noc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)n1 ZINC000246997568 145122232 /nfs/dbraw/zinc/12/22/32/145122232.db2.gz KMUFLOGHONRYCP-OCCSQVGLSA-N 2 2 319.409 2.337 10 0 DEAELP C[C@H]1CC[N@H+](CC(=O)NCc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000247632516 145142450 /nfs/dbraw/zinc/14/24/50/145142450.db2.gz NWZJRZMUIBPIFD-DOTOQJQBSA-N 2 2 312.417 2.082 10 0 DEAELP C[C@H]1CC[N@@H+](CC(=O)NCc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000247632516 145142451 /nfs/dbraw/zinc/14/24/51/145142451.db2.gz NWZJRZMUIBPIFD-DOTOQJQBSA-N 2 2 312.417 2.082 10 0 DEAELP c1ccc(CC[N@@H+]2CC[C@H]([NH2+][C@@H]3C[C@H]4OCCC[C@@H]34)C2)cc1 ZINC000249892182 145190727 /nfs/dbraw/zinc/19/07/27/145190727.db2.gz QVEWSYOUMFHEBI-INDMIFKZSA-N 2 2 300.446 2.461 10 0 DEAELP c1ccc(CC[N@H+]2CC[C@H]([NH2+][C@@H]3C[C@H]4OCCC[C@@H]34)C2)cc1 ZINC000249892182 145190728 /nfs/dbraw/zinc/19/07/28/145190728.db2.gz QVEWSYOUMFHEBI-INDMIFKZSA-N 2 2 300.446 2.461 10 0 DEAELP C[C@H](C(=O)N(C)Cc1ccccc1)[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261612611 145210557 /nfs/dbraw/zinc/21/05/57/145210557.db2.gz CIGDZHVUPPFWRH-GDBMZVCRSA-N 2 2 303.450 2.093 10 0 DEAELP C[C@H](C(=O)N(C)Cc1ccccc1)[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261612611 145210559 /nfs/dbraw/zinc/21/05/59/145210559.db2.gz CIGDZHVUPPFWRH-GDBMZVCRSA-N 2 2 303.450 2.093 10 0 DEAELP CCc1ccc([C@H](C)NC(=O)C[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000261798738 145227447 /nfs/dbraw/zinc/22/74/47/145227447.db2.gz NZJMJULIAPWOEP-YOEHRIQHSA-N 2 2 317.477 2.485 10 0 DEAELP CCc1ccc([C@H](C)NC(=O)C[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000261798738 145227448 /nfs/dbraw/zinc/22/74/48/145227448.db2.gz NZJMJULIAPWOEP-YOEHRIQHSA-N 2 2 317.477 2.485 10 0 DEAELP CCC(CC)(C[NH3+])C(=O)N[C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000261917483 145241654 /nfs/dbraw/zinc/24/16/54/145241654.db2.gz ZAUNWSYVBJXXCV-ZDUSSCGKSA-N 2 2 320.481 2.377 10 0 DEAELP C[C@@H](c1nc(-c2cccnc2)no1)[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261928208 145243286 /nfs/dbraw/zinc/24/32/86/145243286.db2.gz ZNMPTLLGGGFDBZ-WCQYABFASA-N 2 2 301.394 2.252 10 0 DEAELP C[C@@H](c1nc(-c2cccnc2)no1)[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261928208 145243287 /nfs/dbraw/zinc/24/32/87/145243287.db2.gz ZNMPTLLGGGFDBZ-WCQYABFASA-N 2 2 301.394 2.252 10 0 DEAELP CC(C)c1csc([C@H]2CCC[N@H+](Cc3noc(C[NH3+])n3)C2)n1 ZINC000262183170 145268198 /nfs/dbraw/zinc/26/81/98/145268198.db2.gz IWKFADVLHHDOLO-NSHDSACASA-N 2 2 321.450 2.488 10 0 DEAELP CC(C)c1csc([C@H]2CCC[N@@H+](Cc3noc(C[NH3+])n3)C2)n1 ZINC000262183170 145268200 /nfs/dbraw/zinc/26/82/00/145268200.db2.gz IWKFADVLHHDOLO-NSHDSACASA-N 2 2 321.450 2.488 10 0 DEAELP c1cn(-c2csc(CN3CC[NH+](CC4CC4)CC3)c2)c[nH+]1 ZINC000346198938 146036784 /nfs/dbraw/zinc/03/67/84/146036784.db2.gz FYWARZPECAXZKF-UHFFFAOYSA-N 2 2 302.447 2.461 10 0 DEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N(CC(C)C)C2CC2)[C@H](C)C1 ZINC000081095241 401893882 /nfs/dbraw/zinc/89/38/82/401893882.db2.gz UVWQXNWOWKRIPP-WBVHZDCISA-N 2 2 309.498 2.296 10 0 DEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N(CC(C)C)C2CC2)[C@H](C)C1 ZINC000081095241 401893885 /nfs/dbraw/zinc/89/38/85/401893885.db2.gz UVWQXNWOWKRIPP-WBVHZDCISA-N 2 2 309.498 2.296 10 0 DEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N(CC(C)C)C2CC2)[C@H](C)C1 ZINC000081095241 401893888 /nfs/dbraw/zinc/89/38/88/401893888.db2.gz UVWQXNWOWKRIPP-WBVHZDCISA-N 2 2 309.498 2.296 10 0 DEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N(CC(C)C)C2CC2)[C@H](C)C1 ZINC000081095241 401893889 /nfs/dbraw/zinc/89/38/89/401893889.db2.gz UVWQXNWOWKRIPP-WBVHZDCISA-N 2 2 309.498 2.296 10 0 DEAELP CCCC[C@H](C(=O)OC)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090003380 401978335 /nfs/dbraw/zinc/97/83/35/401978335.db2.gz VXSAECIQRJLYNZ-HUUCEWRRSA-N 2 2 307.438 2.406 10 0 DEAELP CCCC[C@H](C(=O)OC)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090003380 401978337 /nfs/dbraw/zinc/97/83/37/401978337.db2.gz VXSAECIQRJLYNZ-HUUCEWRRSA-N 2 2 307.438 2.406 10 0 DEAELP C[NH+](C)C[C@H](NC(=O)Cc1cn2ccccc2[nH+]1)c1ccccc1 ZINC000122625238 402087645 /nfs/dbraw/zinc/08/76/45/402087645.db2.gz WSIPOYSKZCJWSJ-KRWDZBQOSA-N 2 2 322.412 2.296 10 0 DEAELP COc1ccc(NC(=O)C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000123683857 402141293 /nfs/dbraw/zinc/14/12/93/402141293.db2.gz OLERKUBGKOKTCZ-HIFRSBDPSA-N 2 2 305.422 2.048 10 0 DEAELP COc1ccc(NC(=O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000123683857 402141296 /nfs/dbraw/zinc/14/12/96/402141296.db2.gz OLERKUBGKOKTCZ-HIFRSBDPSA-N 2 2 305.422 2.048 10 0 DEAELP COc1ccc(NC(=O)C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000123683857 402141297 /nfs/dbraw/zinc/14/12/97/402141297.db2.gz OLERKUBGKOKTCZ-HIFRSBDPSA-N 2 2 305.422 2.048 10 0 DEAELP COc1ccc(NC(=O)C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000123683857 402141300 /nfs/dbraw/zinc/14/13/00/402141300.db2.gz OLERKUBGKOKTCZ-HIFRSBDPSA-N 2 2 305.422 2.048 10 0 DEAELP C[C@@H]1C[C@@H]([NH+](C)CC(=O)N(C2CC2)C2CCCC2)CC[N@@H+]1C ZINC000123519417 402131965 /nfs/dbraw/zinc/13/19/65/402131965.db2.gz QHOXCRGBLBGDSW-PBHICJAKSA-N 2 2 307.482 2.335 10 0 DEAELP C[C@@H]1C[C@@H]([NH+](C)CC(=O)N(C2CC2)C2CCCC2)CC[N@H+]1C ZINC000123519417 402131967 /nfs/dbraw/zinc/13/19/67/402131967.db2.gz QHOXCRGBLBGDSW-PBHICJAKSA-N 2 2 307.482 2.335 10 0 DEAELP C[C@@H]1C[C@@H]([N@H+](C)CC(=O)N(C2CC2)C2CCCC2)CC[NH+]1C ZINC000123519417 402131968 /nfs/dbraw/zinc/13/19/68/402131968.db2.gz QHOXCRGBLBGDSW-PBHICJAKSA-N 2 2 307.482 2.335 10 0 DEAELP C[C@@H]1C[C@@H]([N@@H+](C)CC(=O)N(C2CC2)C2CCCC2)CC[NH+]1C ZINC000123519417 402131969 /nfs/dbraw/zinc/13/19/69/402131969.db2.gz QHOXCRGBLBGDSW-PBHICJAKSA-N 2 2 307.482 2.335 10 0 DEAELP C[C@@H]1C[C@H]([NH+](C)CC(=O)NCc2cccc(Cl)c2)CC[N@@H+]1C ZINC000123969421 402157061 /nfs/dbraw/zinc/15/70/61/402157061.db2.gz XICZGEKMXVHDAB-CZUORRHYSA-N 2 2 323.868 2.371 10 0 DEAELP C[C@@H]1C[C@H]([NH+](C)CC(=O)NCc2cccc(Cl)c2)CC[N@H+]1C ZINC000123969421 402157063 /nfs/dbraw/zinc/15/70/63/402157063.db2.gz XICZGEKMXVHDAB-CZUORRHYSA-N 2 2 323.868 2.371 10 0 DEAELP C[C@@H]1C[C@H]([N@H+](C)CC(=O)NCc2cccc(Cl)c2)CC[NH+]1C ZINC000123969421 402157065 /nfs/dbraw/zinc/15/70/65/402157065.db2.gz XICZGEKMXVHDAB-CZUORRHYSA-N 2 2 323.868 2.371 10 0 DEAELP C[C@@H]1C[C@H]([N@@H+](C)CC(=O)NCc2cccc(Cl)c2)CC[NH+]1C ZINC000123969421 402157067 /nfs/dbraw/zinc/15/70/67/402157067.db2.gz XICZGEKMXVHDAB-CZUORRHYSA-N 2 2 323.868 2.371 10 0 DEAELP CC[C@H](C)N(C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000176106571 402278987 /nfs/dbraw/zinc/27/89/87/402278987.db2.gz QCFSVULYBIAEDO-INIZCTEOSA-N 2 2 324.513 2.377 10 0 DEAELP CC(C)n1ccnc1C[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000161864769 402401774 /nfs/dbraw/zinc/40/17/74/402401774.db2.gz QQRPTHWXLFAURN-QGZVFWFLSA-N 2 2 319.497 2.066 10 0 DEAELP CC(C)n1ccnc1C[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000161864769 402401776 /nfs/dbraw/zinc/40/17/76/402401776.db2.gz QQRPTHWXLFAURN-QGZVFWFLSA-N 2 2 319.497 2.066 10 0 DEAELP C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)C[NH+]1CCC([NH3+])CC1 ZINC000237508879 402410573 /nfs/dbraw/zinc/41/05/73/402410573.db2.gz CZUPHQNVRFAHCT-HNNXBMFYSA-N 2 2 315.461 2.237 10 0 DEAELP CCO[C@@H]1C[C@@H]([NH2+]CCCNc2cccc[nH+]2)C12CCOCC2 ZINC000186376407 402426048 /nfs/dbraw/zinc/42/60/48/402426048.db2.gz DRLPCNUVQIVOQB-HZPDHXFCSA-N 2 2 319.449 2.447 10 0 DEAELP COc1cc(OC)cc([C@@H]2CC[N@H+](CCn3cc[nH+]c3)C2)c1 ZINC000163237671 402444877 /nfs/dbraw/zinc/44/48/77/402444877.db2.gz VKUAAJIJMIPVKP-CQSZACIVSA-N 2 2 301.390 2.390 10 0 DEAELP COc1cc(OC)cc([C@@H]2CC[N@@H+](CCn3cc[nH+]c3)C2)c1 ZINC000163237671 402444879 /nfs/dbraw/zinc/44/48/79/402444879.db2.gz VKUAAJIJMIPVKP-CQSZACIVSA-N 2 2 301.390 2.390 10 0 DEAELP CC(C)Cn1cc[nH+]c1CNC(=O)[C@H](C)[C@H]([NH3+])c1ccccc1 ZINC000178809715 402542872 /nfs/dbraw/zinc/54/28/72/402542872.db2.gz QMHDGIIYCMXBAT-PBHICJAKSA-N 2 2 314.433 2.491 10 0 DEAELP O[C@H](C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)c1ccc(F)cc1F ZINC000246246632 402520524 /nfs/dbraw/zinc/52/05/24/402520524.db2.gz VSHPWPBXUCIEEC-SUMWQHHRSA-N 2 2 310.388 2.416 10 0 DEAELP O[C@H](C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)c1ccc(F)cc1F ZINC000246246632 402520527 /nfs/dbraw/zinc/52/05/27/402520527.db2.gz VSHPWPBXUCIEEC-SUMWQHHRSA-N 2 2 310.388 2.416 10 0 DEAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](CC2=CCCOC2)C1 ZINC000190473318 402603639 /nfs/dbraw/zinc/60/36/39/402603639.db2.gz JQCBCXFIHKTGPA-QGZVFWFLSA-N 2 2 301.434 2.182 10 0 DEAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](CC2=CCCOC2)C1 ZINC000190473318 402603640 /nfs/dbraw/zinc/60/36/40/402603640.db2.gz JQCBCXFIHKTGPA-QGZVFWFLSA-N 2 2 301.434 2.182 10 0 DEAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](CC2=CCCOC2)C1 ZINC000190473318 402603642 /nfs/dbraw/zinc/60/36/42/402603642.db2.gz JQCBCXFIHKTGPA-QGZVFWFLSA-N 2 2 301.434 2.182 10 0 DEAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](CC2=CCCOC2)C1 ZINC000190473318 402603643 /nfs/dbraw/zinc/60/36/43/402603643.db2.gz JQCBCXFIHKTGPA-QGZVFWFLSA-N 2 2 301.434 2.182 10 0 DEAELP Cc1c([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)cnn1C(C)C ZINC000191202194 402650437 /nfs/dbraw/zinc/65/04/37/402650437.db2.gz XSXYBMKIKFYRBA-ZBFHGGJFSA-N 2 2 308.470 2.270 10 0 DEAELP C[NH+](C)[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)c1cccs1 ZINC000261907973 402719458 /nfs/dbraw/zinc/71/94/58/402719458.db2.gz INZKTUMXOVPSEM-ZJIFWQFVSA-N 2 2 323.506 2.098 10 0 DEAELP FC(F)(F)Cn1cc[nH+]c1CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000172801604 402676624 /nfs/dbraw/zinc/67/66/24/402676624.db2.gz UPEWLKDUPCFISM-GFCCVEGCSA-N 2 2 302.344 2.116 10 0 DEAELP FC(F)(F)Cn1cc[nH+]c1CN1CC[N@H+]2CCCC[C@@H]2C1 ZINC000172801604 402676626 /nfs/dbraw/zinc/67/66/26/402676626.db2.gz UPEWLKDUPCFISM-GFCCVEGCSA-N 2 2 302.344 2.116 10 0 DEAELP c1cn(CCC[N@@H+]2CCC[C@@H](c3nncn3C3CC3)C2)c[nH+]1 ZINC000182963788 402729920 /nfs/dbraw/zinc/72/99/20/402729920.db2.gz WJEMZGHDBBTABE-CQSZACIVSA-N 2 2 300.410 2.079 10 0 DEAELP c1cn(CCC[N@H+]2CCC[C@@H](c3nncn3C3CC3)C2)c[nH+]1 ZINC000182963788 402729922 /nfs/dbraw/zinc/72/99/22/402729922.db2.gz WJEMZGHDBBTABE-CQSZACIVSA-N 2 2 300.410 2.079 10 0 DEAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(-n3cc[nH+]c3)nc2)[C@H](C)C1 ZINC000175728573 402827355 /nfs/dbraw/zinc/82/73/55/402827355.db2.gz AOXWVKZEGZIEHL-WBVHZDCISA-N 3 2 313.449 2.429 10 0 DEAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(-n3cc[nH+]c3)nc2)[C@H](C)C1 ZINC000175728573 402827356 /nfs/dbraw/zinc/82/73/56/402827356.db2.gz AOXWVKZEGZIEHL-WBVHZDCISA-N 3 2 313.449 2.429 10 0 DEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccccc2F)[C@H](C)C1 ZINC000175728887 402827456 /nfs/dbraw/zinc/82/74/56/402827456.db2.gz ZQOZBGKVZCJNPJ-CJNGLKHVSA-N 2 2 307.413 2.426 10 0 DEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccccc2F)[C@H](C)C1 ZINC000175728887 402827458 /nfs/dbraw/zinc/82/74/58/402827458.db2.gz ZQOZBGKVZCJNPJ-CJNGLKHVSA-N 2 2 307.413 2.426 10 0 DEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2ccccc2F)[C@H](C)C1 ZINC000175728887 402827459 /nfs/dbraw/zinc/82/74/59/402827459.db2.gz ZQOZBGKVZCJNPJ-CJNGLKHVSA-N 2 2 307.413 2.426 10 0 DEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccccc2F)[C@H](C)C1 ZINC000175728887 402827461 /nfs/dbraw/zinc/82/74/61/402827461.db2.gz ZQOZBGKVZCJNPJ-CJNGLKHVSA-N 2 2 307.413 2.426 10 0 DEAELP Cc1cccc(NC[C@H]2CC[N@H+](Cc3cn4cccnc4n3)C2)[nH+]1 ZINC000195516235 402849290 /nfs/dbraw/zinc/84/92/90/402849290.db2.gz MJHCUOZNQOCONF-OAHLLOKOSA-N 2 2 322.416 2.367 10 0 DEAELP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3cn4cccnc4n3)C2)[nH+]1 ZINC000195516235 402849292 /nfs/dbraw/zinc/84/92/92/402849292.db2.gz MJHCUOZNQOCONF-OAHLLOKOSA-N 2 2 322.416 2.367 10 0 DEAELP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[N@@H+]2CC)C12CCOCC2 ZINC000248907278 286388654 /nfs/dbraw/zinc/38/86/54/286388654.db2.gz BJUSWLLHUFAGHO-YESZJQIVSA-N 2 2 310.482 2.425 10 0 DEAELP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[N@H+]2CC)C12CCOCC2 ZINC000248907278 286388655 /nfs/dbraw/zinc/38/86/55/286388655.db2.gz BJUSWLLHUFAGHO-YESZJQIVSA-N 2 2 310.482 2.425 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@H](C)[N@H+](C)C1CC1)C2 ZINC000369638035 404174662 /nfs/dbraw/zinc/17/46/62/404174662.db2.gz KTHPMEFNJWTZNK-QWHCGFSZSA-N 2 2 318.465 2.237 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@H](C)[N@@H+](C)C1CC1)C2 ZINC000369638035 404174667 /nfs/dbraw/zinc/17/46/67/404174667.db2.gz KTHPMEFNJWTZNK-QWHCGFSZSA-N 2 2 318.465 2.237 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@H](C)[N@H+](C)C1CC1)CC2 ZINC000369638035 404174675 /nfs/dbraw/zinc/17/46/75/404174675.db2.gz KTHPMEFNJWTZNK-QWHCGFSZSA-N 2 2 318.465 2.237 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@H](C)[N@@H+](C)C1CC1)CC2 ZINC000369638035 404174685 /nfs/dbraw/zinc/17/46/85/404174685.db2.gz KTHPMEFNJWTZNK-QWHCGFSZSA-N 2 2 318.465 2.237 10 0 DEAELP COc1cccc2c1[nH+]cc(C)c2N1CC[N@@H+]2CCOC[C@H]2C1 ZINC000365293695 404603585 /nfs/dbraw/zinc/60/35/85/404603585.db2.gz UZNXPJVTYYYVMY-CQSZACIVSA-N 2 2 313.401 2.073 10 0 DEAELP COc1cccc2c1[nH+]cc(C)c2N1CC[N@H+]2CCOC[C@H]2C1 ZINC000365293695 404603588 /nfs/dbraw/zinc/60/35/88/404603588.db2.gz UZNXPJVTYYYVMY-CQSZACIVSA-N 2 2 313.401 2.073 10 0 DEAELP C[C@@H]1CCOCC[N@@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000375728087 404735347 /nfs/dbraw/zinc/73/53/47/404735347.db2.gz XKNZSUZKCYDYMJ-GOSISDBHSA-N 2 2 317.477 2.310 10 0 DEAELP C[C@@H]1CCOCC[N@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000375728087 404735350 /nfs/dbraw/zinc/73/53/50/404735350.db2.gz XKNZSUZKCYDYMJ-GOSISDBHSA-N 2 2 317.477 2.310 10 0 DEAELP c1csc(-c2noc(CCC[N@@H+]3CCC[C@H]4C[NH2+]C[C@H]43)n2)c1 ZINC000389152505 405037975 /nfs/dbraw/zinc/03/79/75/405037975.db2.gz JVYGWGSPFBAFLA-QWHCGFSZSA-N 2 2 318.446 2.415 10 0 DEAELP c1csc(-c2noc(CCC[N@H+]3CCC[C@H]4C[NH2+]C[C@H]43)n2)c1 ZINC000389152505 405037979 /nfs/dbraw/zinc/03/79/79/405037979.db2.gz JVYGWGSPFBAFLA-QWHCGFSZSA-N 2 2 318.446 2.415 10 0 DEAELP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ncc(C3CC3)o2)CC1 ZINC000451988770 405120412 /nfs/dbraw/zinc/12/04/12/405120412.db2.gz PPVZTNXGRGSUON-UHFFFAOYSA-N 2 2 306.454 2.058 10 0 DEAELP c1cc(-c2noc(C[N@@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)n2)co1 ZINC000420376934 405337811 /nfs/dbraw/zinc/33/78/11/405337811.db2.gz AULWPDUFZZULSL-GXTWGEPZSA-N 2 2 302.378 2.294 10 0 DEAELP c1cc(-c2noc(C[N@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)n2)co1 ZINC000420376934 405337813 /nfs/dbraw/zinc/33/78/13/405337813.db2.gz AULWPDUFZZULSL-GXTWGEPZSA-N 2 2 302.378 2.294 10 0 DEAELP c1ccc(CCCO[C@@H]2CC[N@H+](CC34CC(C3)C[NH2+]4)C2)cc1 ZINC000634994464 406388737 /nfs/dbraw/zinc/38/87/37/406388737.db2.gz DRWWZUIGQXWUET-JLAWEPINSA-N 2 2 300.446 2.462 10 0 DEAELP c1ccc(CCCO[C@@H]2CC[N@@H+](CC34CC(C3)C[NH2+]4)C2)cc1 ZINC000634994464 406388738 /nfs/dbraw/zinc/38/87/38/406388738.db2.gz DRWWZUIGQXWUET-JLAWEPINSA-N 2 2 300.446 2.462 10 0 DEAELP C[C@H](CC[NH2+]C1CC[NH+](Cc2ccccc2)CC1)[S@@](C)=O ZINC000129457002 196050113 /nfs/dbraw/zinc/05/01/13/196050113.db2.gz OUSXSOBKBGKLII-VFNWGFHPSA-N 2 2 308.491 2.398 10 0 DEAELP CC(C)[NH2+]CCCS(=O)(=O)Nc1cccc2cc[nH+]cc21 ZINC000131553403 196179335 /nfs/dbraw/zinc/17/93/35/196179335.db2.gz SUHUFXBNZYAIBW-UHFFFAOYSA-N 2 2 307.419 2.365 10 0 DEAELP CCCNc1nc(NC[C@@H](C)[NH+](C)C)c(Br)c[nH+]1 ZINC000132225243 196237208 /nfs/dbraw/zinc/23/72/08/196237208.db2.gz GRPYMGZHUOJTHB-SECBINFHSA-N 2 2 316.247 2.423 10 0 DEAELP COC[C@@H](CCC[NH3+])[NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000397940663 269107394 /nfs/dbraw/zinc/10/73/94/269107394.db2.gz ZOGSTZICUPKEQX-RTBURBONSA-N 3 2 319.493 2.385 10 0 DEAELP COC[C@@H](CCC[NH3+])[NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000397940663 269107396 /nfs/dbraw/zinc/10/73/96/269107396.db2.gz ZOGSTZICUPKEQX-RTBURBONSA-N 3 2 319.493 2.385 10 0 DEAELP c1ccc2[nH+]c(N3CCC[N@@H+](C4CCOCC4)CC3)[nH]c2c1 ZINC000301880497 275069020 /nfs/dbraw/zinc/06/90/20/275069020.db2.gz LSDNZWJUGAUUPV-UHFFFAOYSA-N 2 2 300.406 2.254 10 0 DEAELP c1ccc2[nH+]c(N3CCC[N@H+](C4CCOCC4)CC3)[nH]c2c1 ZINC000301880497 275069021 /nfs/dbraw/zinc/06/90/21/275069021.db2.gz LSDNZWJUGAUUPV-UHFFFAOYSA-N 2 2 300.406 2.254 10 0 DEAELP CC[N@@H+]1CCN(C(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)[C@@H](C)C1 ZINC000553329398 500689344 /nfs/dbraw/zinc/68/93/44/500689344.db2.gz HERAPKWRKANTGY-UONOGXRCSA-N 2 2 318.465 2.191 10 0 DEAELP CC[N@H+]1CCN(C(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)[C@@H](C)C1 ZINC000553329398 500689349 /nfs/dbraw/zinc/68/93/49/500689349.db2.gz HERAPKWRKANTGY-UONOGXRCSA-N 2 2 318.465 2.191 10 0 DEAELP CC[N@@H+]1CCN(C(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)[C@@H](C)C1 ZINC000553329398 500689351 /nfs/dbraw/zinc/68/93/51/500689351.db2.gz HERAPKWRKANTGY-UONOGXRCSA-N 2 2 318.465 2.191 10 0 DEAELP CC[N@H+]1CCN(C(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)[C@@H](C)C1 ZINC000553329398 500689355 /nfs/dbraw/zinc/68/93/55/500689355.db2.gz HERAPKWRKANTGY-UONOGXRCSA-N 2 2 318.465 2.191 10 0 DEAELP CCCn1c(C)nnc1C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000157150734 521621764 /nfs/dbraw/zinc/62/17/64/521621764.db2.gz KZEQQECUKQSRIW-UHFFFAOYSA-N 2 2 316.453 2.185 10 0 DEAELP Cc1nc(NC[C@@H](C)[N@@H+]2CCOC[C@@H]2C)c2c([nH+]1)CCCC2 ZINC000302063903 534622416 /nfs/dbraw/zinc/62/24/16/534622416.db2.gz VDQFKYCWFXAFFK-OLZOCXBDSA-N 2 2 304.438 2.185 10 0 DEAELP Cc1nc(NC[C@@H](C)[N@H+]2CCOC[C@@H]2C)c2c([nH+]1)CCCC2 ZINC000302063903 534622425 /nfs/dbraw/zinc/62/24/25/534622425.db2.gz VDQFKYCWFXAFFK-OLZOCXBDSA-N 2 2 304.438 2.185 10 0 DEAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(OC)cc1OC ZINC000163420767 523830622 /nfs/dbraw/zinc/83/06/22/523830622.db2.gz UJRWBTRGDKFIAA-LSDHHAIUSA-N 2 2 322.449 2.465 10 0 DEAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(OC)cc1OC ZINC000163420767 523830627 /nfs/dbraw/zinc/83/06/27/523830627.db2.gz UJRWBTRGDKFIAA-LSDHHAIUSA-N 2 2 322.449 2.465 10 0 DEAELP c1c(C2CC2)[nH]nc1N1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000189243302 526397404 /nfs/dbraw/zinc/39/74/04/526397404.db2.gz USLCYYCFGWCCRF-UHFFFAOYSA-N 2 2 317.481 2.285 10 0 DEAELP C[C@H]1C[N@H+](Cc2cnc(NC(=O)CC3CC3)s2)CC[C@@H]1[NH3+] ZINC000725272085 563577547 /nfs/dbraw/zinc/57/75/47/563577547.db2.gz MDXAZCKEVVSBOI-GWCFXTLKSA-N 2 2 308.451 2.051 10 0 DEAELP C[C@H]1C[N@@H+](Cc2cnc(NC(=O)CC3CC3)s2)CC[C@@H]1[NH3+] ZINC000725272085 563577549 /nfs/dbraw/zinc/57/75/49/563577549.db2.gz MDXAZCKEVVSBOI-GWCFXTLKSA-N 2 2 308.451 2.051 10 0 DEAELP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000724641300 787352439 /nfs/dbraw/zinc/35/24/39/787352439.db2.gz UEVSGVYJVHGTJB-OKZBNKHCSA-N 2 2 318.461 2.291 10 0 DEAELP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000724641300 787352449 /nfs/dbraw/zinc/35/24/49/787352449.db2.gz UEVSGVYJVHGTJB-OKZBNKHCSA-N 2 2 318.461 2.291 10 0 DEAELP Cc1c(N)c[nH+]c(NCCCC[NH+](C)C)c1Br ZINC000165525449 197677308 /nfs/dbraw/zinc/67/73/08/197677308.db2.gz SKWDNMPBFGBWQX-UHFFFAOYSA-N 2 2 301.232 2.488 10 0 DEAELP [NH3+]C[C@@]1([NH2+]Cc2cccs2)CCN(Cc2ccccc2)C1 ZINC000087910211 185237488 /nfs/dbraw/zinc/23/74/88/185237488.db2.gz YMGAIXPFBVMMDP-KRWDZBQOSA-N 2 2 301.459 2.441 10 0 DEAELP [NH3+]C[C@@]1(NCc2cccs2)CC[N@H+](Cc2ccccc2)C1 ZINC000087910211 185237489 /nfs/dbraw/zinc/23/74/89/185237489.db2.gz YMGAIXPFBVMMDP-KRWDZBQOSA-N 2 2 301.459 2.441 10 0 DEAELP [NH3+]C[C@@]1(NCc2cccs2)CC[N@@H+](Cc2ccccc2)C1 ZINC000087910211 185237490 /nfs/dbraw/zinc/23/74/90/185237490.db2.gz YMGAIXPFBVMMDP-KRWDZBQOSA-N 2 2 301.459 2.441 10 0 DEAELP C[NH2+][C@@H]1COC[C@H]1C[N@H+](C)Cc1ccccc1Br ZINC000090438779 185296529 /nfs/dbraw/zinc/29/65/29/185296529.db2.gz HDSVWQMJSWERLD-TZMCWYRMSA-N 2 2 313.239 2.115 10 0 DEAELP C[NH2+][C@@H]1COC[C@H]1C[N@@H+](C)Cc1ccccc1Br ZINC000090438779 185296530 /nfs/dbraw/zinc/29/65/30/185296530.db2.gz HDSVWQMJSWERLD-TZMCWYRMSA-N 2 2 313.239 2.115 10 0 DEAELP C[NH2+][C@@H]1COC[C@@H]1C[N@H+](C)Cc1csc(Br)c1 ZINC000090438869 185296690 /nfs/dbraw/zinc/29/66/90/185296690.db2.gz SKUHFFIWKCZFGR-WDEREUQCSA-N 2 2 319.268 2.177 10 0 DEAELP C[NH2+][C@@H]1COC[C@@H]1C[N@@H+](C)Cc1csc(Br)c1 ZINC000090438869 185296691 /nfs/dbraw/zinc/29/66/91/185296691.db2.gz SKUHFFIWKCZFGR-WDEREUQCSA-N 2 2 319.268 2.177 10 0 DEAELP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(-n4ccnc4)nc3)C2)C1 ZINC000292830196 530059887 /nfs/dbraw/zinc/05/98/87/530059887.db2.gz ALAGTVUCJXLSTD-GOSISDBHSA-N 2 2 311.433 2.185 10 0 DEAELP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(-n4ccnc4)nc3)C2)C1 ZINC000292830196 530059888 /nfs/dbraw/zinc/05/98/88/530059888.db2.gz ALAGTVUCJXLSTD-GOSISDBHSA-N 2 2 311.433 2.185 10 0 DEAELP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc(-n4ccnc4)nc3)C2)C1 ZINC000292830196 530059889 /nfs/dbraw/zinc/05/98/89/530059889.db2.gz ALAGTVUCJXLSTD-GOSISDBHSA-N 2 2 311.433 2.185 10 0 DEAELP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc(-n4ccnc4)nc3)C2)C1 ZINC000292830196 530059890 /nfs/dbraw/zinc/05/98/90/530059890.db2.gz ALAGTVUCJXLSTD-GOSISDBHSA-N 2 2 311.433 2.185 10 0 DEAELP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(-n4cc[nH+]c4)nc3)C2)C1 ZINC000292830196 530059891 /nfs/dbraw/zinc/05/98/91/530059891.db2.gz ALAGTVUCJXLSTD-GOSISDBHSA-N 3 2 311.433 2.185 10 0 DEAELP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(-n4cc[nH+]c4)nc3)C2)C1 ZINC000292830196 530059892 /nfs/dbraw/zinc/05/98/92/530059892.db2.gz ALAGTVUCJXLSTD-GOSISDBHSA-N 3 2 311.433 2.185 10 0 DEAELP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc(-n4cc[nH+]c4)nc3)C2)C1 ZINC000292830196 530059893 /nfs/dbraw/zinc/05/98/93/530059893.db2.gz ALAGTVUCJXLSTD-GOSISDBHSA-N 3 2 311.433 2.185 10 0 DEAELP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)nc3)C2)C1 ZINC000292830196 530059894 /nfs/dbraw/zinc/05/98/94/530059894.db2.gz ALAGTVUCJXLSTD-GOSISDBHSA-N 3 2 311.433 2.185 10 0 DEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N2[C@H](C)CCC[C@H]2C)[C@@H](C)C1 ZINC000245428437 282387174 /nfs/dbraw/zinc/38/71/74/282387174.db2.gz MOEAAKFUJFAJCX-HZMVEIRTSA-N 2 2 309.498 2.438 10 0 DEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N2[C@H](C)CCC[C@H]2C)[C@@H](C)C1 ZINC000245428437 282387175 /nfs/dbraw/zinc/38/71/75/282387175.db2.gz MOEAAKFUJFAJCX-HZMVEIRTSA-N 2 2 309.498 2.438 10 0 DEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N2[C@H](C)CCC[C@H]2C)[C@@H](C)C1 ZINC000245428437 282387176 /nfs/dbraw/zinc/38/71/76/282387176.db2.gz MOEAAKFUJFAJCX-HZMVEIRTSA-N 2 2 309.498 2.438 10 0 DEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N2[C@H](C)CCC[C@H]2C)[C@@H](C)C1 ZINC000245428437 282387178 /nfs/dbraw/zinc/38/71/78/282387178.db2.gz MOEAAKFUJFAJCX-HZMVEIRTSA-N 2 2 309.498 2.438 10 0 DEAELP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(C)c(F)c2)CC1 ZINC000181347088 539650911 /nfs/dbraw/zinc/65/09/11/539650911.db2.gz OMLQWGLJYLYHIN-GJZGRUSLSA-N 2 2 321.440 2.337 10 0 DEAELP c1cn(CCC[NH+]2CCN(c3nc4ccccc4o3)CC2)c[nH+]1 ZINC000182753709 356143388 /nfs/dbraw/zinc/14/33/88/356143388.db2.gz ISUABPQSWXDOEC-UHFFFAOYSA-N 2 2 311.389 2.237 10 0 DEAELP Cn1ncc(Cl)c1C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000187123264 200065393 /nfs/dbraw/zinc/06/53/93/200065393.db2.gz ACWNVEYRRXCCCO-GFCCVEGCSA-N 2 2 305.813 2.403 10 0 DEAELP Cn1ncc(Cl)c1C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000187123264 200065394 /nfs/dbraw/zinc/06/53/94/200065394.db2.gz ACWNVEYRRXCCCO-GFCCVEGCSA-N 2 2 305.813 2.403 10 0 DEAELP C[C@@H](C(=O)NCc1cn2c([nH+]1)CCCC2)[NH+]1CCCCCC1 ZINC000603819759 360861806 /nfs/dbraw/zinc/86/18/06/360861806.db2.gz VEEAVLBSUZHKMU-AWEZNQCLSA-N 2 2 304.438 2.100 10 0 DEAELP CC(C)[N@H+](C)CC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000608206556 361184451 /nfs/dbraw/zinc/18/44/51/361184451.db2.gz YEFDHELIYRISDR-INIZCTEOSA-N 2 2 314.433 2.160 10 0 DEAELP CC(C)[N@@H+](C)CC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000608206556 361184456 /nfs/dbraw/zinc/18/44/56/361184456.db2.gz YEFDHELIYRISDR-INIZCTEOSA-N 2 2 314.433 2.160 10 0 DEAELP CCC[NH2+][C@@H](CCCS(C)(=O)=O)C(C)(C)[NH+](CC)CC ZINC000091532270 193069924 /nfs/dbraw/zinc/06/99/24/193069924.db2.gz ZTPJVXPCKQXDBM-AWEZNQCLSA-N 2 2 306.516 2.300 10 0 DEAELP CCS(=O)(=O)CCC[C@H]([NH2+]C)C1([NH+](C)C)CCCCCC1 ZINC000091654375 193084834 /nfs/dbraw/zinc/08/48/34/193084834.db2.gz YVPNYYVUGMDMPU-HNNXBMFYSA-N 2 2 318.527 2.444 10 0 DEAELP CCC[NH2+][C@H](CCCS(=O)(=O)CC)C1([NH+](C)C)CCCC1 ZINC000091638250 193082557 /nfs/dbraw/zinc/08/25/57/193082557.db2.gz QXVYUPJIIIYLAZ-OAHLLOKOSA-N 2 2 318.527 2.444 10 0 DEAELP c1[nH+]cn2c1CN(c1nc(N3Cc4ccccc4C3)cc[nH+]1)CC2 ZINC000624232913 365344006 /nfs/dbraw/zinc/34/40/06/365344006.db2.gz QASGWNABNZXJPL-UHFFFAOYSA-N 2 2 318.384 2.214 10 0 DEAELP CCC[NH2+][C@H](CCCS(C)(=O)=O)C1([NH+](C)C)CCCC1 ZINC000091638440 193082851 /nfs/dbraw/zinc/08/28/51/193082851.db2.gz JXLXNNVUZULDJJ-CQSZACIVSA-N 2 2 304.500 2.054 10 0 DEAELP COc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc2c1OCCO2 ZINC000093644088 193281872 /nfs/dbraw/zinc/28/18/72/193281872.db2.gz YEAFUPZMNRWXJN-DZGCQCFKSA-N 2 2 320.433 2.381 10 0 DEAELP COc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc2c1OCCO2 ZINC000093644088 193281873 /nfs/dbraw/zinc/28/18/73/193281873.db2.gz YEAFUPZMNRWXJN-DZGCQCFKSA-N 2 2 320.433 2.381 10 0 DEAELP COc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc2c1OCCO2 ZINC000093644088 193281875 /nfs/dbraw/zinc/28/18/75/193281875.db2.gz YEAFUPZMNRWXJN-DZGCQCFKSA-N 2 2 320.433 2.381 10 0 DEAELP COc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc2c1OCCO2 ZINC000093644088 193281877 /nfs/dbraw/zinc/28/18/77/193281877.db2.gz YEAFUPZMNRWXJN-DZGCQCFKSA-N 2 2 320.433 2.381 10 0 DEAELP CCC(C)(C)[C@@H]1CC[C@H](C[NH3+])[C@H]([N@H+](C)CCS(C)(=O)=O)C1 ZINC000094297591 193356674 /nfs/dbraw/zinc/35/66/74/193356674.db2.gz USNGDTZWJWWHOR-RBSFLKMASA-N 2 2 318.527 2.143 10 0 DEAELP CCC(C)(C)[C@@H]1CC[C@H](C[NH3+])[C@H]([N@@H+](C)CCS(C)(=O)=O)C1 ZINC000094297591 193356676 /nfs/dbraw/zinc/35/66/76/193356676.db2.gz USNGDTZWJWWHOR-RBSFLKMASA-N 2 2 318.527 2.143 10 0 DEAELP C[NH2+][C@@H]1[C@@H](C[NH+]2CCN(CC(F)(F)F)CC2)CCC1(C)C ZINC000094318373 193359186 /nfs/dbraw/zinc/35/91/86/193359186.db2.gz HNLFPIVIBNSSGG-CHWSQXEVSA-N 2 2 307.404 2.191 10 0 DEAELP Cc1cccc(N2CC[NH+]([C@]3(C[NH3+])CS[C@H](C)C3)CC2)c1 ZINC000094473261 193372555 /nfs/dbraw/zinc/37/25/55/193372555.db2.gz HYCXEYWJXSVGIA-NVXWUHKLSA-N 2 2 305.491 2.340 10 0 DEAELP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cnc(CC)o2)[C@@H](C)C1 ZINC000453391952 245113587 /nfs/dbraw/zinc/11/35/87/245113587.db2.gz QYDDYPNIDKSBEP-GOEBONIOSA-N 2 2 309.454 2.464 10 0 DEAELP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cnc(CC)o2)[C@@H](C)C1 ZINC000453391952 245113594 /nfs/dbraw/zinc/11/35/94/245113594.db2.gz QYDDYPNIDKSBEP-GOEBONIOSA-N 2 2 309.454 2.464 10 0 DEAELP C[NH+](C)CCC[NH2+]Cc1ccccc1OCC(=O)NC(C)(C)C ZINC000020872430 182250951 /nfs/dbraw/zinc/25/09/51/182250951.db2.gz DURAPVJSXNQRCM-UHFFFAOYSA-N 2 2 321.465 2.021 10 0 DEAELP COC[C@H](C)[N@H+](C)[C@@H](C[NH3+])c1cccc(Br)c1 ZINC000042517779 183279726 /nfs/dbraw/zinc/27/97/26/183279726.db2.gz FOHWYGVBRPFPAF-GWCFXTLKSA-N 2 2 301.228 2.416 10 0 DEAELP COC[C@H](C)[N@@H+](C)[C@@H](C[NH3+])c1cccc(Br)c1 ZINC000042517779 183279729 /nfs/dbraw/zinc/27/97/29/183279729.db2.gz FOHWYGVBRPFPAF-GWCFXTLKSA-N 2 2 301.228 2.416 10 0 DEAELP CC[C@H]([NH3+])[C@@H](c1ccccc1Cl)[NH+]1CCC(C(N)=O)CC1 ZINC000043051055 183333068 /nfs/dbraw/zinc/33/30/68/183333068.db2.gz NEJRQMQAZHCYCB-LSDHHAIUSA-N 2 2 309.841 2.316 10 0 DEAELP CC[C@@H]([NH3+])[C@@H](c1ccc(Br)cc1)[N@H+](C)CCO ZINC000042953976 183322107 /nfs/dbraw/zinc/32/21/07/183322107.db2.gz VQEDCVSNWVNRAF-CHWSQXEVSA-N 2 2 301.228 2.152 10 0 DEAELP CC[C@@H]([NH3+])[C@@H](c1ccc(Br)cc1)[N@@H+](C)CCO ZINC000042953976 183322109 /nfs/dbraw/zinc/32/21/09/183322109.db2.gz VQEDCVSNWVNRAF-CHWSQXEVSA-N 2 2 301.228 2.152 10 0 DEAELP COCC[N@H+](C)[C@@H](c1cccc(Br)c1)[C@H](C)[NH3+] ZINC000043021239 183330040 /nfs/dbraw/zinc/33/00/40/183330040.db2.gz QBJUTIKQBFNLNR-GXFFZTMASA-N 2 2 301.228 2.416 10 0 DEAELP COCC[N@@H+](C)[C@@H](c1cccc(Br)c1)[C@H](C)[NH3+] ZINC000043021239 183330041 /nfs/dbraw/zinc/33/00/41/183330041.db2.gz QBJUTIKQBFNLNR-GXFFZTMASA-N 2 2 301.228 2.416 10 0 DEAELP CC[C@H]([NH3+])[C@@H](c1ccc(C)s1)[NH+]1CCC(C(=O)NC)CC1 ZINC000043240651 183345984 /nfs/dbraw/zinc/34/59/84/183345984.db2.gz PWZUSQANMRRUOY-ZFWWWQNUSA-N 2 2 309.479 2.293 10 0 DEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)Nc2cc(C)no2)C1 ZINC000105897123 194163374 /nfs/dbraw/zinc/16/33/74/194163374.db2.gz BHYDWDXGIIAYBJ-CYBMUJFWSA-N 2 2 317.393 2.018 10 0 DEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(C)no2)C1 ZINC000105897123 194163377 /nfs/dbraw/zinc/16/33/77/194163377.db2.gz BHYDWDXGIIAYBJ-CYBMUJFWSA-N 2 2 317.393 2.018 10 0 DEAELP CCC[C@@]1(C[NH+]2CCN(c3nccs3)CC2)CCC[NH2+]C1 ZINC000062861696 184257109 /nfs/dbraw/zinc/25/71/09/184257109.db2.gz QBSXGUGVQMHTSD-MRXNPFEDSA-N 2 2 308.495 2.435 10 0 DEAELP OCC[C@H]1CCC[C@H]1[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000188002751 207369744 /nfs/dbraw/zinc/36/97/44/207369744.db2.gz KKMDDVQDXHUNDT-SJLPKXTDSA-N 2 2 303.450 2.187 10 0 DEAELP COc1nc2sccn2c1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000157423191 197186162 /nfs/dbraw/zinc/18/61/62/197186162.db2.gz DKGGRFCNWFXBOL-VXGBXAGGSA-N 2 2 306.435 2.121 10 0 DEAELP COc1nc2sccn2c1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000157423191 197186164 /nfs/dbraw/zinc/18/61/64/197186164.db2.gz DKGGRFCNWFXBOL-VXGBXAGGSA-N 2 2 306.435 2.121 10 0 DEAELP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2noc(-c3ccccc3)n2)C1 ZINC000542517449 285230468 /nfs/dbraw/zinc/23/04/68/285230468.db2.gz AWGCCEBCFFTCFS-CQSZACIVSA-N 2 2 309.373 2.460 10 0 DEAELP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2noc(-c3ccccc3)n2)C1 ZINC000542517449 285230472 /nfs/dbraw/zinc/23/04/72/285230472.db2.gz AWGCCEBCFFTCFS-CQSZACIVSA-N 2 2 309.373 2.460 10 0 DEAELP c1[nH]c2c([nH+]1)CC[C@H]([NH2+]Cc1cnc([C@@H]3CCCO3)s1)C2 ZINC000368258167 133266868 /nfs/dbraw/zinc/26/68/68/133266868.db2.gz IYHMZRVRQWUCRA-HZMBPMFUSA-N 2 2 304.419 2.365 10 0 DEAELP c1[nH]c2c([nH+]1)C[C@@H]([NH2+]Cc1cnc([C@@H]3CCCO3)s1)CC2 ZINC000368258167 133266869 /nfs/dbraw/zinc/26/68/69/133266869.db2.gz IYHMZRVRQWUCRA-HZMBPMFUSA-N 2 2 304.419 2.365 10 0 DEAELP CC(C)(C)n1cc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)nn1 ZINC000189943408 145036706 /nfs/dbraw/zinc/03/67/06/145036706.db2.gz OVXMLVHBFILALJ-UHFFFAOYSA-N 2 2 314.437 2.187 10 0 DEAELP CCc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1 ZINC000193654636 145088950 /nfs/dbraw/zinc/08/89/50/145088950.db2.gz JXTZGGALAKCMNH-CWRNSKLLSA-N 2 2 301.434 2.069 10 0 DEAELP CCc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1 ZINC000193654636 145088952 /nfs/dbraw/zinc/08/89/52/145088952.db2.gz JXTZGGALAKCMNH-CWRNSKLLSA-N 2 2 301.434 2.069 10 0 DEAELP CCc1ccc(NC(=O)[C@H](C)[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cc1 ZINC000193654636 145088954 /nfs/dbraw/zinc/08/89/54/145088954.db2.gz JXTZGGALAKCMNH-CWRNSKLLSA-N 2 2 301.434 2.069 10 0 DEAELP CCc1ccc(NC(=O)[C@H](C)[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cc1 ZINC000193654636 145088956 /nfs/dbraw/zinc/08/89/56/145088956.db2.gz JXTZGGALAKCMNH-CWRNSKLLSA-N 2 2 301.434 2.069 10 0 DEAELP C[NH+]1CCC(CNC(=O)[C@H]2[C@@H]3CCC[C@@H]32)([NH+]2CCCCC2)CC1 ZINC000248357268 145151661 /nfs/dbraw/zinc/15/16/61/145151661.db2.gz PHAUTLHCOBBNTR-FVQHAEBGSA-N 2 2 319.493 2.099 10 0 DEAELP CCN(C(=O)[C@H](C)[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1)c1ccccc1 ZINC000261623511 145211834 /nfs/dbraw/zinc/21/18/34/145211834.db2.gz CKMCITVUSGZYPA-GOEBONIOSA-N 2 2 303.450 2.487 10 0 DEAELP CCN(C(=O)[C@H](C)[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1)c1ccccc1 ZINC000261623511 145211836 /nfs/dbraw/zinc/21/18/36/145211836.db2.gz CKMCITVUSGZYPA-GOEBONIOSA-N 2 2 303.450 2.487 10 0 DEAELP CCOc1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261758023 145223729 /nfs/dbraw/zinc/22/37/29/145223729.db2.gz LORHHMXNHUVFDJ-BBRMVZONSA-N 2 2 319.449 2.472 10 0 DEAELP CCOc1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261758023 145223731 /nfs/dbraw/zinc/22/37/31/145223731.db2.gz LORHHMXNHUVFDJ-BBRMVZONSA-N 2 2 319.449 2.472 10 0 DEAELP Cc1ncsc1C[N@H+]1C[C@@H](F)C[C@H]1CN(C)CC(C)(C)[NH3+] ZINC000261882156 145236866 /nfs/dbraw/zinc/23/68/66/145236866.db2.gz WNXKJOIUPWRZNS-STQMWFEESA-N 2 2 314.474 2.033 10 0 DEAELP Cc1ncsc1C[N@@H+]1C[C@@H](F)C[C@H]1CN(C)CC(C)(C)[NH3+] ZINC000261882156 145236867 /nfs/dbraw/zinc/23/68/67/145236867.db2.gz WNXKJOIUPWRZNS-STQMWFEESA-N 2 2 314.474 2.033 10 0 DEAELP CCN(CC)c1ccc(N[C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)c[nH+]1 ZINC000261894341 145238512 /nfs/dbraw/zinc/23/85/12/145238512.db2.gz GYMFVIRCDLZNPQ-GVDBMIGSSA-N 2 2 318.465 2.497 10 0 DEAELP C[N@H+](CC(=O)Nc1cc(F)cc(F)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261938882 145245021 /nfs/dbraw/zinc/24/50/21/145245021.db2.gz KXADBNDLPCYPOF-NNQSOWQGSA-N 2 2 309.360 2.118 10 0 DEAELP C[N@@H+](CC(=O)Nc1cc(F)cc(F)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261938882 145245022 /nfs/dbraw/zinc/24/50/22/145245022.db2.gz KXADBNDLPCYPOF-NNQSOWQGSA-N 2 2 309.360 2.118 10 0 DEAELP C[C@@H]1CCC[C@](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)([NH+](C)C)C1 ZINC000262036107 145255474 /nfs/dbraw/zinc/25/54/74/145255474.db2.gz XZIYLHPUWQFALW-LFDJNIOPSA-N 3 2 323.525 2.244 10 0 DEAELP Cc1ccc2oc(N3CC[NH+](C[C@@]4(C)CC[NH2+]C4)CC3)nc2c1 ZINC000262045940 145256800 /nfs/dbraw/zinc/25/68/00/145256800.db2.gz PRSSQYLYFHTBPW-SFHVURJKSA-N 2 2 314.433 2.258 10 0 DEAELP C[N@H+](C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)C[C@@]1(C)CC[NH2+]C1 ZINC000262093899 145260591 /nfs/dbraw/zinc/26/05/91/145260591.db2.gz UZWLPHOZBIFHKC-BZSNNMDCSA-N 3 2 302.466 2.006 10 0 DEAELP C[N@@H+](C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)C[C@@]1(C)CC[NH2+]C1 ZINC000262093899 145260594 /nfs/dbraw/zinc/26/05/94/145260594.db2.gz UZWLPHOZBIFHKC-BZSNNMDCSA-N 3 2 302.466 2.006 10 0 DEAELP C[NH+](C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)C[C@@]1(C)CC[NH2+]C1 ZINC000262093899 145260595 /nfs/dbraw/zinc/26/05/95/145260595.db2.gz UZWLPHOZBIFHKC-BZSNNMDCSA-N 3 2 302.466 2.006 10 0 DEAELP C[NH+](C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)C[C@@]1(C)CC[NH2+]C1 ZINC000262093899 145260598 /nfs/dbraw/zinc/26/05/98/145260598.db2.gz UZWLPHOZBIFHKC-BZSNNMDCSA-N 3 2 302.466 2.006 10 0 DEAELP CC(C)c1ccc(NC(=O)C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000262529265 145290531 /nfs/dbraw/zinc/29/05/31/145290531.db2.gz PGHNTIKHGRBICI-SFHVURJKSA-N 2 2 301.434 2.434 10 0 DEAELP CC(C)c1ccc(NC(=O)C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000262529265 145290533 /nfs/dbraw/zinc/29/05/33/145290533.db2.gz PGHNTIKHGRBICI-SFHVURJKSA-N 2 2 301.434 2.434 10 0 DEAELP Cn1ccc(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)n1 ZINC000358270665 147103532 /nfs/dbraw/zinc/10/35/32/147103532.db2.gz XDOUGALQVNVBFI-UHFFFAOYSA-N 2 2 316.424 2.356 10 0 DEAELP CCN(CCC[NH+](C)C)C(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000370389666 148013652 /nfs/dbraw/zinc/01/36/52/148013652.db2.gz KUQTXZZXWGXESF-CQSZACIVSA-N 2 2 320.481 2.438 10 0 DEAELP CCN(CCC[NH+](C)C)C(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000370389666 148013654 /nfs/dbraw/zinc/01/36/54/148013654.db2.gz KUQTXZZXWGXESF-CQSZACIVSA-N 2 2 320.481 2.438 10 0 DEAELP Cc1c[nH+]c2cc(C(=O)NC[C@@H]3CCCC[N@@H+]3C3CC3)ccn12 ZINC000565959674 292194354 /nfs/dbraw/zinc/19/43/54/292194354.db2.gz QKUIFDMFGUYMCQ-INIZCTEOSA-N 2 2 312.417 2.389 10 0 DEAELP Cc1c[nH+]c2cc(C(=O)NC[C@@H]3CCCC[N@H+]3C3CC3)ccn12 ZINC000565959674 292194355 /nfs/dbraw/zinc/19/43/55/292194355.db2.gz QKUIFDMFGUYMCQ-INIZCTEOSA-N 2 2 312.417 2.389 10 0 DEAELP C[C@@H](NC(=O)C1CC[NH+](C)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000074173950 401732305 /nfs/dbraw/zinc/73/23/05/401732305.db2.gz DSAKNUHRRRUCGA-CQSZACIVSA-N 2 2 312.417 2.391 10 0 DEAELP [NH3+]CC[NH2+][C@@H]1CCCc2sc(I)cc21 ZINC000127926074 401756080 /nfs/dbraw/zinc/75/60/80/401756080.db2.gz SUCNBCVEVCJWNV-MRVPVSSYSA-N 2 2 322.215 2.278 10 0 DEAELP Cc1nc2c(s1)[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)CCC2 ZINC000151319041 402029471 /nfs/dbraw/zinc/02/94/71/402029471.db2.gz ZOMGULAINGDENM-ZIAGYGMSSA-N 2 2 309.479 2.265 10 0 DEAELP CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCOCC2)c1 ZINC000153097772 402126322 /nfs/dbraw/zinc/12/63/22/402126322.db2.gz AEBZWLKBNQMDJV-CABCVRRESA-N 2 2 319.449 2.264 10 0 DEAELP C[C@@H]1Cc2ccccc2N1C(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123474634 402129668 /nfs/dbraw/zinc/12/96/68/402129668.db2.gz BCNAIDVRHUTDLK-BFYDXBDKSA-N 2 2 315.461 2.379 10 0 DEAELP C[C@@H]1Cc2ccccc2N1C(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123474634 402129669 /nfs/dbraw/zinc/12/96/69/402129669.db2.gz BCNAIDVRHUTDLK-BFYDXBDKSA-N 2 2 315.461 2.379 10 0 DEAELP C[C@@H]1Cc2ccccc2N1C(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123474634 402129671 /nfs/dbraw/zinc/12/96/71/402129671.db2.gz BCNAIDVRHUTDLK-BFYDXBDKSA-N 2 2 315.461 2.379 10 0 DEAELP C[C@@H]1Cc2ccccc2N1C(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123474634 402129672 /nfs/dbraw/zinc/12/96/72/402129672.db2.gz BCNAIDVRHUTDLK-BFYDXBDKSA-N 2 2 315.461 2.379 10 0 DEAELP C[C@@H]1C[C@H]([NH+](C)CC(=O)N(C2CC2)C2CCCC2)CC[N@@H+]1C ZINC000123519081 402131538 /nfs/dbraw/zinc/13/15/38/402131538.db2.gz QHOXCRGBLBGDSW-RHSMWYFYSA-N 2 2 307.482 2.335 10 0 DEAELP C[C@@H]1C[C@H]([NH+](C)CC(=O)N(C2CC2)C2CCCC2)CC[N@H+]1C ZINC000123519081 402131542 /nfs/dbraw/zinc/13/15/42/402131542.db2.gz QHOXCRGBLBGDSW-RHSMWYFYSA-N 2 2 307.482 2.335 10 0 DEAELP C[C@@H]1C[C@H]([N@H+](C)CC(=O)N(C2CC2)C2CCCC2)CC[NH+]1C ZINC000123519081 402131545 /nfs/dbraw/zinc/13/15/45/402131545.db2.gz QHOXCRGBLBGDSW-RHSMWYFYSA-N 2 2 307.482 2.335 10 0 DEAELP C[C@@H]1C[C@H]([N@@H+](C)CC(=O)N(C2CC2)C2CCCC2)CC[NH+]1C ZINC000123519081 402131548 /nfs/dbraw/zinc/13/15/48/402131548.db2.gz QHOXCRGBLBGDSW-RHSMWYFYSA-N 2 2 307.482 2.335 10 0 DEAELP C[C@H](C[NH2+][C@H](C)c1ccc([S@](C)=O)cc1)C[NH+]1CCOCC1 ZINC000153256164 402135725 /nfs/dbraw/zinc/13/57/25/402135725.db2.gz ABVZKJYJIHJDRM-DOQJBMMISA-N 2 2 324.490 2.043 10 0 DEAELP COc1ccc2oc(C[NH2+]C[C@H](O)C[NH+]3CCCCC3)cc2c1 ZINC000124209778 402168851 /nfs/dbraw/zinc/16/88/51/402168851.db2.gz QBQZEBGNGRBMHO-HNNXBMFYSA-N 2 2 318.417 2.378 10 0 DEAELP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1cnn(C)c1 ZINC000126207822 402269487 /nfs/dbraw/zinc/26/94/87/402269487.db2.gz RSDLQTYKSGQBSR-MPGHIAIKSA-N 2 2 313.449 2.376 10 0 DEAELP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1cnn(C)c1 ZINC000126207822 402269490 /nfs/dbraw/zinc/26/94/90/402269490.db2.gz RSDLQTYKSGQBSR-MPGHIAIKSA-N 2 2 313.449 2.376 10 0 DEAELP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000176995874 402357554 /nfs/dbraw/zinc/35/75/54/402357554.db2.gz OIMSDDMJGABSMK-QGZVFWFLSA-N 2 2 312.417 2.429 10 0 DEAELP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000176995874 402357556 /nfs/dbraw/zinc/35/75/56/402357556.db2.gz OIMSDDMJGABSMK-QGZVFWFLSA-N 2 2 312.417 2.429 10 0 DEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCNC(=O)OC(C)(C)C ZINC000177517254 402411739 /nfs/dbraw/zinc/41/17/39/402411739.db2.gz ZPXSRTNEYLPTLC-CQSZACIVSA-N 2 2 308.426 2.181 10 0 DEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCNC(=O)OC(C)(C)C ZINC000177517254 402411740 /nfs/dbraw/zinc/41/17/40/402411740.db2.gz ZPXSRTNEYLPTLC-CQSZACIVSA-N 2 2 308.426 2.181 10 0 DEAELP CC(=O)Nc1nc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cs1 ZINC000178292625 402480312 /nfs/dbraw/zinc/48/03/12/402480312.db2.gz AAXOUQQBJXHFHL-AWEZNQCLSA-N 2 2 319.434 2.271 10 0 DEAELP CC(=O)Nc1nc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cs1 ZINC000178292625 402480314 /nfs/dbraw/zinc/48/03/14/402480314.db2.gz AAXOUQQBJXHFHL-AWEZNQCLSA-N 2 2 319.434 2.271 10 0 DEAELP CNC(=O)c1ccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cc1 ZINC000178290501 402480331 /nfs/dbraw/zinc/48/03/31/402480331.db2.gz KFKHAULIBLUHMI-KRWDZBQOSA-N 2 2 312.417 2.216 10 0 DEAELP CNC(=O)c1ccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cc1 ZINC000178290501 402480332 /nfs/dbraw/zinc/48/03/32/402480332.db2.gz KFKHAULIBLUHMI-KRWDZBQOSA-N 2 2 312.417 2.216 10 0 DEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1nc(-c2ccoc2)no1 ZINC000178303976 402482911 /nfs/dbraw/zinc/48/29/11/402482911.db2.gz QEVXZWBEVYUXNB-AWEZNQCLSA-N 2 2 313.361 2.499 10 0 DEAELP C[C@@H](C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)C1CC1 ZINC000178519647 402506641 /nfs/dbraw/zinc/50/66/41/402506641.db2.gz NBYPQEXGLISSNO-OAHLLOKOSA-N 2 2 307.482 2.099 10 0 DEAELP NC(=O)c1coc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000189403914 402536300 /nfs/dbraw/zinc/53/63/00/402536300.db2.gz FRNQKWIRAZNGAI-UHFFFAOYSA-N 2 2 313.401 2.133 10 0 DEAELP CCO[C@@H]1C[C@H]([NH2+][C@H]2C[N@@H+](C(C)C)C[C@H]2C)C12CCOCC2 ZINC000248907997 402614015 /nfs/dbraw/zinc/61/40/15/402614015.db2.gz BLVFFQZHDYYOHI-LTIDMASMSA-N 2 2 310.482 2.279 10 0 DEAELP CCO[C@@H]1C[C@H]([NH2+][C@H]2C[N@H+](C(C)C)C[C@H]2C)C12CCOCC2 ZINC000248907997 402614016 /nfs/dbraw/zinc/61/40/16/402614016.db2.gz BLVFFQZHDYYOHI-LTIDMASMSA-N 2 2 310.482 2.279 10 0 DEAELP C1CCC([NH+]2CCC([NH2+][C@H]3CCC[C@@H]3[C@@H]3COCC[NH2+]3)CC2)C1 ZINC000261841632 402717986 /nfs/dbraw/zinc/71/79/86/402717986.db2.gz ALSGZBGVWISSNO-FHWLQOOXSA-N 3 2 321.509 2.140 10 0 DEAELP COc1cc[nH+]c(N2CC[NH+](C[C@@H](O)CC3CCCC3)CC2)c1 ZINC000191333282 402661526 /nfs/dbraw/zinc/66/15/26/402661526.db2.gz HONACZVSBZGJCL-INIZCTEOSA-N 2 2 319.449 2.153 10 0 DEAELP COC(=O)C1CCC([NH2+]Cc2cccnc2-n2cc[nH+]c2)CC1 ZINC000192438956 402728785 /nfs/dbraw/zinc/72/87/85/402728785.db2.gz PGMWVVMIGBJDGK-UHFFFAOYSA-N 2 2 314.389 2.089 10 0 DEAELP CCc1nc(C[N@@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)cs1 ZINC000174903072 402762253 /nfs/dbraw/zinc/76/22/53/402762253.db2.gz BJBTUEMKMJRQTF-INIZCTEOSA-N 2 2 322.522 2.307 10 0 DEAELP CCc1nc(C[N@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)cs1 ZINC000174903072 402762254 /nfs/dbraw/zinc/76/22/54/402762254.db2.gz BJBTUEMKMJRQTF-INIZCTEOSA-N 2 2 322.522 2.307 10 0 DEAELP CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCCn3cc[nH+]c32)CC1 ZINC000175041939 402774194 /nfs/dbraw/zinc/77/41/94/402774194.db2.gz QZFIAFXUWPRUSW-OAHLLOKOSA-N 2 2 304.438 2.093 10 0 DEAELP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]Cc1cccnc1-n1cc[nH+]c1 ZINC000183704338 402790620 /nfs/dbraw/zinc/79/06/20/402790620.db2.gz YZIAUMLWYMTPLE-ZDUSSCGKSA-N 2 2 316.405 2.477 10 0 DEAELP C[C@@H](C(=O)NCc1ccc[nH+]c1N(C)C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000194666163 402808390 /nfs/dbraw/zinc/80/83/90/402808390.db2.gz XYJPIEUFHKLRFM-MJBXVCDLSA-N 2 2 304.438 2.025 10 0 DEAELP C[C@@H](C(=O)NCc1ccc[nH+]c1N(C)C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000194666163 402808394 /nfs/dbraw/zinc/80/83/94/402808394.db2.gz XYJPIEUFHKLRFM-MJBXVCDLSA-N 2 2 304.438 2.025 10 0 DEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000175471322 402809409 /nfs/dbraw/zinc/80/94/09/402809409.db2.gz GGEIKQOZVRYRRR-HNNXBMFYSA-N 2 2 321.469 2.022 10 0 DEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000175471322 402809412 /nfs/dbraw/zinc/80/94/12/402809412.db2.gz GGEIKQOZVRYRRR-HNNXBMFYSA-N 2 2 321.469 2.022 10 0 DEAELP O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000195058364 402829939 /nfs/dbraw/zinc/82/99/39/402829939.db2.gz PKTLJNLXFKZTEZ-QGZVFWFLSA-N 2 2 310.401 2.183 10 0 DEAELP O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000195058364 402829941 /nfs/dbraw/zinc/82/99/41/402829941.db2.gz PKTLJNLXFKZTEZ-QGZVFWFLSA-N 2 2 310.401 2.183 10 0 DEAELP FC(F)(F)COCC[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195516005 402849251 /nfs/dbraw/zinc/84/92/51/402849251.db2.gz KBMWOGHELXPDOR-GFCCVEGCSA-N 2 2 303.328 2.394 10 0 DEAELP FC(F)(F)COCC[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195516005 402849253 /nfs/dbraw/zinc/84/92/53/402849253.db2.gz KBMWOGHELXPDOR-GFCCVEGCSA-N 2 2 303.328 2.394 10 0 DEAELP CC(=O)N(C[C@H]1CCC[N@@H+]1Cc1cccc2[nH+]ccn21)C1CC1 ZINC000275767291 403121711 /nfs/dbraw/zinc/12/17/11/403121711.db2.gz RBHOKPBQFKJTEV-MRXNPFEDSA-N 2 2 312.417 2.310 10 0 DEAELP CC(=O)N(C[C@H]1CCC[N@H+]1Cc1cccc2[nH+]ccn21)C1CC1 ZINC000275767291 403121713 /nfs/dbraw/zinc/12/17/13/403121713.db2.gz RBHOKPBQFKJTEV-MRXNPFEDSA-N 2 2 312.417 2.310 10 0 DEAELP CC[C@H]1CN(c2nc(C)[nH+]c3c2CCCC3)CC[N@@H+]1CCOC ZINC000302056443 403707003 /nfs/dbraw/zinc/70/70/03/403707003.db2.gz QRSXNBHKTMWDGU-HNNXBMFYSA-N 2 2 318.465 2.211 10 0 DEAELP CC[C@H]1CN(c2nc(C)[nH+]c3c2CCCC3)CC[N@H+]1CCOC ZINC000302056443 403707005 /nfs/dbraw/zinc/70/70/05/403707005.db2.gz QRSXNBHKTMWDGU-HNNXBMFYSA-N 2 2 318.465 2.211 10 0 DEAELP CCC[C@H](O)C[N@@H+]1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000295948824 404023643 /nfs/dbraw/zinc/02/36/43/404023643.db2.gz LQDKVSRUVDVUGG-JKSUJKDBSA-N 2 2 319.449 2.296 10 0 DEAELP CCC[C@H](O)C[N@H+]1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000295948824 404023654 /nfs/dbraw/zinc/02/36/54/404023654.db2.gz LQDKVSRUVDVUGG-JKSUJKDBSA-N 2 2 319.449 2.296 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@H](C)[N@H+](C)C1CC1)C2 ZINC000369638036 404174412 /nfs/dbraw/zinc/17/44/12/404174412.db2.gz KTHPMEFNJWTZNK-STQMWFEESA-N 2 2 318.465 2.237 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@H](C)[N@@H+](C)C1CC1)C2 ZINC000369638036 404174419 /nfs/dbraw/zinc/17/44/19/404174419.db2.gz KTHPMEFNJWTZNK-STQMWFEESA-N 2 2 318.465 2.237 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@H](C)[N@H+](C)C1CC1)CC2 ZINC000369638036 404174426 /nfs/dbraw/zinc/17/44/26/404174426.db2.gz KTHPMEFNJWTZNK-STQMWFEESA-N 2 2 318.465 2.237 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@H](C)[N@@H+](C)C1CC1)CC2 ZINC000369638036 404174434 /nfs/dbraw/zinc/17/44/34/404174434.db2.gz KTHPMEFNJWTZNK-STQMWFEESA-N 2 2 318.465 2.237 10 0 DEAELP C[C@H]([NH2+]Cc1ncc(Br)s1)[C@H]1CCC[NH2+]C1 ZINC000414855437 404749676 /nfs/dbraw/zinc/74/96/76/404749676.db2.gz NEQRTXPWDVCMDD-IUCAKERBSA-N 2 2 304.257 2.383 10 0 DEAELP C[C@]1(C[NH2+][C@H]2CCCNC(=O)C2)CCC[N@@H+]1Cc1ccccc1 ZINC000397967862 405059931 /nfs/dbraw/zinc/05/99/31/405059931.db2.gz YRHJANRJGZLBDC-PKOBYXMFSA-N 2 2 315.461 2.299 10 0 DEAELP C[C@]1(C[NH2+][C@H]2CCCNC(=O)C2)CCC[N@H+]1Cc1ccccc1 ZINC000397967862 405059936 /nfs/dbraw/zinc/05/99/36/405059936.db2.gz YRHJANRJGZLBDC-PKOBYXMFSA-N 2 2 315.461 2.299 10 0 DEAELP Cc1nc(N2CC[NH+](CCOCC3CCCC3)CC2)cc[nH+]1 ZINC000459396583 405887024 /nfs/dbraw/zinc/88/70/24/405887024.db2.gz FSFBFGIEIDKFPA-UHFFFAOYSA-N 2 2 304.438 2.114 10 0 DEAELP c1[nH]cc(C2CC[NH+](Cc3cnc(N4CCCC4)nc3)CC2)[nH+]1 ZINC000552300487 406702201 /nfs/dbraw/zinc/70/22/01/406702201.db2.gz KPSZMXAJTQNKHM-UHFFFAOYSA-N 2 2 312.421 2.180 10 0 DEAELP O=S(=O)(C[C@@H]1CCCC[NH2+]1)Nc1cccc2cc[nH+]cc21 ZINC000131552921 196179280 /nfs/dbraw/zinc/17/92/80/196179280.db2.gz WFZIQPLTVUOPKO-ZDUSSCGKSA-N 2 2 305.403 2.119 10 0 DEAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)C1 ZINC000393917879 269100646 /nfs/dbraw/zinc/10/06/46/269100646.db2.gz YZQMHLWQPVDWBN-SOUVJXGZSA-N 2 2 311.470 2.364 10 0 DEAELP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)C1 ZINC000393917879 269100647 /nfs/dbraw/zinc/10/06/47/269100647.db2.gz YZQMHLWQPVDWBN-SOUVJXGZSA-N 2 2 311.470 2.364 10 0 DEAELP Cc1nc(C[N@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)cs1 ZINC000162049097 293263757 /nfs/dbraw/zinc/26/37/57/293263757.db2.gz OIXSYPDNVGIAJX-INIZCTEOSA-N 2 2 308.495 2.053 10 0 DEAELP Cc1nc(C[N@@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)cs1 ZINC000162049097 293263758 /nfs/dbraw/zinc/26/37/58/293263758.db2.gz OIXSYPDNVGIAJX-INIZCTEOSA-N 2 2 308.495 2.053 10 0 DEAELP Cc1cc(F)ccc1N1CCC[C@@H]([N@@H+]2CC[C@](C)(C[NH3+])C2)C1=O ZINC000261915688 301312745 /nfs/dbraw/zinc/31/27/45/301312745.db2.gz YBCJDYMDNXLNRZ-SJLPKXTDSA-N 2 2 319.424 2.300 10 0 DEAELP Cc1cc(F)ccc1N1CCC[C@@H]([N@H+]2CC[C@](C)(C[NH3+])C2)C1=O ZINC000261915688 301312748 /nfs/dbraw/zinc/31/27/48/301312748.db2.gz YBCJDYMDNXLNRZ-SJLPKXTDSA-N 2 2 319.424 2.300 10 0 DEAELP CC(=O)N1CC[C@@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c2ccccc2C1 ZINC000575371642 326236462 /nfs/dbraw/zinc/23/64/62/326236462.db2.gz UGAJMPCJDKWPHN-DOTOQJQBSA-N 2 2 324.428 2.350 10 0 DEAELP CC(=O)N1CC[C@@H]([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)c2ccccc2C1 ZINC000575371642 326236463 /nfs/dbraw/zinc/23/64/63/326236463.db2.gz UGAJMPCJDKWPHN-DOTOQJQBSA-N 2 2 324.428 2.350 10 0 DEAELP CCS(=O)(=O)CCCCC[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000190633171 535618285 /nfs/dbraw/zinc/61/82/85/535618285.db2.gz LEVGCPGNXIHVDX-HUUCEWRRSA-N 2 2 304.500 2.006 10 0 DEAELP O=C(NCCCC[NH+]1CCCC1)N1CCC(n2cc[nH+]c2)CC1 ZINC000103305893 527650135 /nfs/dbraw/zinc/65/01/35/527650135.db2.gz MHQAMMASSQFHCJ-UHFFFAOYSA-N 2 2 319.453 2.106 10 0 DEAELP CC1(C)OCC[C@H]1[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000294384145 527810869 /nfs/dbraw/zinc/81/08/69/527810869.db2.gz RNQDRNOERYQYAX-QZTJIDSGSA-N 2 2 318.461 2.435 10 0 DEAELP CC1(C)OCC[C@H]1[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000294384145 527810872 /nfs/dbraw/zinc/81/08/72/527810872.db2.gz RNQDRNOERYQYAX-QZTJIDSGSA-N 2 2 318.461 2.435 10 0 DEAELP CC(C)N(Cc1ccccc1)C(=O)C[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261782640 535101949 /nfs/dbraw/zinc/10/19/49/535101949.db2.gz NAOLMMYQPRJHKQ-QGZVFWFLSA-N 2 2 317.477 2.483 10 0 DEAELP CC(C)N(Cc1ccccc1)C(=O)C[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261782640 535101951 /nfs/dbraw/zinc/10/19/51/535101951.db2.gz NAOLMMYQPRJHKQ-QGZVFWFLSA-N 2 2 317.477 2.483 10 0 DEAELP CC1(C)C[N@H+](CC(=O)N[C@H]2CCCc3ccccc32)CC[C@@H]1[NH3+] ZINC000261820701 535352464 /nfs/dbraw/zinc/35/24/64/535352464.db2.gz PKTWBUCMIMWALP-IRXDYDNUSA-N 2 2 315.461 2.239 10 0 DEAELP CC1(C)C[N@@H+](CC(=O)N[C@H]2CCCc3ccccc32)CC[C@@H]1[NH3+] ZINC000261820701 535352466 /nfs/dbraw/zinc/35/24/66/535352466.db2.gz PKTWBUCMIMWALP-IRXDYDNUSA-N 2 2 315.461 2.239 10 0 DEAELP CCS(=O)(=O)CCCCC[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000190633171 535618274 /nfs/dbraw/zinc/61/82/74/535618274.db2.gz LEVGCPGNXIHVDX-HUUCEWRRSA-N 2 2 304.500 2.006 10 0 DEAELP CCS(=O)(=O)CCCCC[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000190633171 535618276 /nfs/dbraw/zinc/61/82/76/535618276.db2.gz LEVGCPGNXIHVDX-HUUCEWRRSA-N 2 2 304.500 2.006 10 0 DEAELP CCS(=O)(=O)CCCCC[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000190633171 535618281 /nfs/dbraw/zinc/61/82/81/535618281.db2.gz LEVGCPGNXIHVDX-HUUCEWRRSA-N 2 2 304.500 2.006 10 0 DEAELP COC(=O)[C@H](C)C[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000191947018 536604685 /nfs/dbraw/zinc/60/46/85/536604685.db2.gz SZKOMMWREGUCGK-CQSZACIVSA-N 2 2 301.390 2.422 10 0 DEAELP COC(=O)[C@H](C)C[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000191947018 536604690 /nfs/dbraw/zinc/60/46/90/536604690.db2.gz SZKOMMWREGUCGK-CQSZACIVSA-N 2 2 301.390 2.422 10 0 DEAELP COc1ccc(OC)c([C@H](C)[NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)c1 ZINC000261822031 636558667 /nfs/dbraw/zinc/55/86/67/636558667.db2.gz ASAQAJBUKBMMNN-HZSPNIEDSA-N 2 2 308.422 2.121 10 0 DEAELP CCC[C@@H](C(=O)NCc1ccc(-n2cc[nH+]c2)cc1)[NH+](C)C ZINC000179649265 648404329 /nfs/dbraw/zinc/40/43/29/648404329.db2.gz OOYQOILUNWSLFV-INIZCTEOSA-N 2 2 300.406 2.219 10 0 DEAELP C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@@H+](C[C@@H]1CCC[NH2+]C1)C2 ZINC000702087336 1086406616 /nfs/dbraw/zinc/40/66/16/1086406616.db2.gz ZYTGHXZYNIMSBY-AQNXPRMDSA-N 3 2 313.489 2.440 10 0 DEAELP C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@H+](C[C@@H]1CCC[NH2+]C1)C2 ZINC000702087336 1086406619 /nfs/dbraw/zinc/40/66/19/1086406619.db2.gz ZYTGHXZYNIMSBY-AQNXPRMDSA-N 3 2 313.489 2.440 10 0 DEAELP C[C@]12C[NH+](C[C@@H]3CCC[NH2+]C3)C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000702087336 1086406623 /nfs/dbraw/zinc/40/66/23/1086406623.db2.gz ZYTGHXZYNIMSBY-AQNXPRMDSA-N 3 2 313.489 2.440 10 0 DEAELP C[C@]12C[NH+](C[C@@H]3CCC[NH2+]C3)C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000702087336 1086406625 /nfs/dbraw/zinc/40/66/25/1086406625.db2.gz ZYTGHXZYNIMSBY-AQNXPRMDSA-N 3 2 313.489 2.440 10 0 DEAELP COC1(OC)CC[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000710967526 1086692738 /nfs/dbraw/zinc/69/27/38/1086692738.db2.gz OBGCLPORPAWOIH-QGZVFWFLSA-N 2 2 304.434 2.392 10 0 DEAELP Cc1[nH+]ccn1CC[NH+]1CCN(C(=O)Nc2cccs2)CC1 ZINC000077121800 185111140 /nfs/dbraw/zinc/11/11/40/185111140.db2.gz KSYWYZYLXXLIGC-UHFFFAOYSA-N 2 2 319.434 2.103 10 0 DEAELP CCc1cc(N2CC[NH+](Cc3cnc(C)s3)CC2)nc(C)[nH+]1 ZINC000302061081 529534558 /nfs/dbraw/zinc/53/45/58/529534558.db2.gz SXBHWZNFTJLKRZ-UHFFFAOYSA-N 2 2 317.462 2.435 10 0 DEAELP C[C@@H](c1ccccc1Cl)N(C)C(=O)C[NH+]1CCC([NH3+])CC1 ZINC000092714093 185335988 /nfs/dbraw/zinc/33/59/88/185335988.db2.gz UPLMOFLLDLTFAE-LBPRGKRZSA-N 2 2 309.841 2.283 10 0 DEAELP CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@@H](c2ccc[nH+]c2N)C1 ZINC000616621034 362898862 /nfs/dbraw/zinc/89/88/62/362898862.db2.gz ZLJVHQPNYULEJB-CYBMUJFWSA-N 2 2 320.437 2.368 10 0 DEAELP CC(C)(C)OC(=O)NCC[N@H+]1CCC[C@@H](c2ccc[nH+]c2N)C1 ZINC000616621034 362898868 /nfs/dbraw/zinc/89/88/68/362898868.db2.gz ZLJVHQPNYULEJB-CYBMUJFWSA-N 2 2 320.437 2.368 10 0 DEAELP Cn1ncc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC000287092924 219307963 /nfs/dbraw/zinc/30/79/63/219307963.db2.gz POHUETUCJHDATO-ZNXRZULTSA-N 2 2 311.433 2.100 10 0 DEAELP Cn1ncc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC000287092924 219307967 /nfs/dbraw/zinc/30/79/67/219307967.db2.gz POHUETUCJHDATO-ZNXRZULTSA-N 2 2 311.433 2.100 10 0 DEAELP Cc1[nH+]c2ccccc2n1CC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000172058388 198032919 /nfs/dbraw/zinc/03/29/19/198032919.db2.gz KFDYCDLPNFSQRS-ZFWWWQNUSA-N 2 2 312.417 2.040 10 0 DEAELP Cc1[nH+]c2ccccc2n1CC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000172058388 198032921 /nfs/dbraw/zinc/03/29/21/198032921.db2.gz KFDYCDLPNFSQRS-ZFWWWQNUSA-N 2 2 312.417 2.040 10 0 DEAELP CCOC(=O)[C@@H](CC)[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000173779878 198251102 /nfs/dbraw/zinc/25/11/02/198251102.db2.gz COXWBQQWQVGDEL-HUUCEWRRSA-N 2 2 305.422 2.466 10 0 DEAELP CCCC[NH+]1CCC(NC(=O)[C@H]2CCCn3cc[nH+]c32)CC1 ZINC000081713562 192316037 /nfs/dbraw/zinc/31/60/37/192316037.db2.gz TYPKIQHBZUSGQM-HNNXBMFYSA-N 2 2 304.438 2.141 10 0 DEAELP C[C@H](C(=O)NCc1cn2c([nH+]1)CCCC2)[NH+]1CCCCCC1 ZINC000603819760 360861363 /nfs/dbraw/zinc/86/13/63/360861363.db2.gz VEEAVLBSUZHKMU-CQSZACIVSA-N 2 2 304.438 2.100 10 0 DEAELP CCOC(=O)[C@@H](CC)[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195292751 201374354 /nfs/dbraw/zinc/37/43/54/201374354.db2.gz SITDGDGMLQEAAH-IAGOWNOFSA-N 2 2 319.449 2.177 10 0 DEAELP CCOC(=O)[C@@H](CC)[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195292751 201374357 /nfs/dbraw/zinc/37/43/57/201374357.db2.gz SITDGDGMLQEAAH-IAGOWNOFSA-N 2 2 319.449 2.177 10 0 DEAELP CCOC(=O)[C@@H](CC)[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195292751 201374360 /nfs/dbraw/zinc/37/43/60/201374360.db2.gz SITDGDGMLQEAAH-IAGOWNOFSA-N 2 2 319.449 2.177 10 0 DEAELP CCOC(=O)[C@@H](CC)[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195292751 201374363 /nfs/dbraw/zinc/37/43/63/201374363.db2.gz SITDGDGMLQEAAH-IAGOWNOFSA-N 2 2 319.449 2.177 10 0 DEAELP Fc1ccc(N2CC[NH+](CC[C@H]3CSCC[NH2+]3)CC2)cc1 ZINC000091291976 193032625 /nfs/dbraw/zinc/03/26/25/193032625.db2.gz FFEHUOICRYDXGZ-HNNXBMFYSA-N 2 2 309.454 2.043 10 0 DEAELP CCS(=O)(=O)CCC[C@@H]([NH3+])C1([NH+]2CCCCC2)CCCC1 ZINC000091641813 193083145 /nfs/dbraw/zinc/08/31/45/193083145.db2.gz SWJXHKNJDUPYEL-OAHLLOKOSA-N 2 2 316.511 2.327 10 0 DEAELP Cc1cc(C)n2c(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)cnc2n1 ZINC000092043349 193146481 /nfs/dbraw/zinc/14/64/81/193146481.db2.gz ARVZAZJLPXQQJE-NVXWUHKLSA-N 2 2 313.449 2.262 10 0 DEAELP Cc1cc(C)n2c(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)cnc2n1 ZINC000092043349 193146482 /nfs/dbraw/zinc/14/64/82/193146482.db2.gz ARVZAZJLPXQQJE-NVXWUHKLSA-N 2 2 313.449 2.262 10 0 DEAELP Cc1cc(C)n2c(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)cnc2n1 ZINC000092043349 193146484 /nfs/dbraw/zinc/14/64/84/193146484.db2.gz ARVZAZJLPXQQJE-NVXWUHKLSA-N 2 2 313.449 2.262 10 0 DEAELP Cc1cc(C)n2c(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)cnc2n1 ZINC000092043349 193146486 /nfs/dbraw/zinc/14/64/86/193146486.db2.gz ARVZAZJLPXQQJE-NVXWUHKLSA-N 2 2 313.449 2.262 10 0 DEAELP C[C@]1(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CC[NH2+]C1 ZINC000262033356 291380856 /nfs/dbraw/zinc/38/08/56/291380856.db2.gz OGGWFLLRUZPKRC-QAPCUYQASA-N 3 2 302.466 2.398 10 0 DEAELP C[C@]1(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CC[NH2+]C1 ZINC000262033356 291380857 /nfs/dbraw/zinc/38/08/57/291380857.db2.gz OGGWFLLRUZPKRC-QAPCUYQASA-N 3 2 302.466 2.398 10 0 DEAELP c1cc(-c2noc(C[N@@H+]3CCC[C@@H]4C[NH2+]CC[C@@H]43)n2)cs1 ZINC000631886693 368443765 /nfs/dbraw/zinc/44/37/65/368443765.db2.gz LGRLRTWGACNOGZ-YPMHNXCESA-N 2 2 304.419 2.372 10 0 DEAELP c1cc(-c2noc(C[N@H+]3CCC[C@@H]4C[NH2+]CC[C@@H]43)n2)cs1 ZINC000631886693 368443774 /nfs/dbraw/zinc/44/37/74/368443774.db2.gz LGRLRTWGACNOGZ-YPMHNXCESA-N 2 2 304.419 2.372 10 0 DEAELP C[NH2+][C@@H](Cc1ccc(Cl)c(Cl)c1)[C@@H]1C[N@H+](C)CCN1C ZINC000093894931 193325263 /nfs/dbraw/zinc/32/52/63/193325263.db2.gz RSJFJFIUHZHMJJ-GJZGRUSLSA-N 2 2 316.276 2.370 10 0 DEAELP C[NH2+][C@@H](Cc1ccc(Cl)c(Cl)c1)[C@@H]1C[N@@H+](C)CCN1C ZINC000093894931 193325265 /nfs/dbraw/zinc/32/52/65/193325265.db2.gz RSJFJFIUHZHMJJ-GJZGRUSLSA-N 2 2 316.276 2.370 10 0 DEAELP C[NH2+][C@H](Cc1c(Cl)cccc1Cl)[C@@H]1C[N@H+](C)CCN1C ZINC000093894844 193325294 /nfs/dbraw/zinc/32/52/94/193325294.db2.gz QOKTVIFXVJWRFI-CABCVRRESA-N 2 2 316.276 2.370 10 0 DEAELP C[NH2+][C@H](Cc1c(Cl)cccc1Cl)[C@@H]1C[N@@H+](C)CCN1C ZINC000093894844 193325296 /nfs/dbraw/zinc/32/52/96/193325296.db2.gz QOKTVIFXVJWRFI-CABCVRRESA-N 2 2 316.276 2.370 10 0 DEAELP CC[NH2+][C@H](Cc1ccc(Cl)s1)[C@H]1C[N@H+](C)CCN1C ZINC000093895618 193325896 /nfs/dbraw/zinc/32/58/96/193325896.db2.gz XGDQPJFLRBZFIR-CHWSQXEVSA-N 2 2 301.887 2.168 10 0 DEAELP CC[NH2+][C@H](Cc1ccc(Cl)s1)[C@H]1C[N@@H+](C)CCN1C ZINC000093895618 193325897 /nfs/dbraw/zinc/32/58/97/193325897.db2.gz XGDQPJFLRBZFIR-CHWSQXEVSA-N 2 2 301.887 2.168 10 0 DEAELP CC[NH2+][C@H](Cc1ccncc1Cl)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC000093927575 193329682 /nfs/dbraw/zinc/32/96/82/193329682.db2.gz RFDFYICFPMLXFY-CVEARBPZSA-N 2 2 311.857 2.365 10 0 DEAELP CC[NH2+][C@H](Cc1ccncc1Cl)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC000093927575 193329683 /nfs/dbraw/zinc/32/96/83/193329683.db2.gz RFDFYICFPMLXFY-CVEARBPZSA-N 2 2 311.857 2.365 10 0 DEAELP CCC[NH2+][C@H](Cc1ccc(CC)s1)[C@H]1C[NH+]2CCN1CC2 ZINC000094510915 193375803 /nfs/dbraw/zinc/37/58/03/193375803.db2.gz AEZKNSVMOSYGHV-IAGOWNOFSA-N 2 2 307.507 2.221 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CC[N@H+](C)[C@@H](C)[C@H]1C)C2 ZINC000530289635 284396517 /nfs/dbraw/zinc/39/65/17/284396517.db2.gz FKVROCGMKNQUAX-BFHYXJOUSA-N 2 2 318.465 2.189 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CC[N@@H+](C)[C@@H](C)[C@H]1C)C2 ZINC000530289635 284396519 /nfs/dbraw/zinc/39/65/19/284396519.db2.gz FKVROCGMKNQUAX-BFHYXJOUSA-N 2 2 318.465 2.189 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CC[N@H+](C)[C@@H](C)[C@H]1C)CC2 ZINC000530289635 284396521 /nfs/dbraw/zinc/39/65/21/284396521.db2.gz FKVROCGMKNQUAX-BFHYXJOUSA-N 2 2 318.465 2.189 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CC[N@@H+](C)[C@@H](C)[C@H]1C)CC2 ZINC000530289635 284396523 /nfs/dbraw/zinc/39/65/23/284396523.db2.gz FKVROCGMKNQUAX-BFHYXJOUSA-N 2 2 318.465 2.189 10 0 DEAELP CC[C@H]([NH3+])[C@H](c1ccc(C)s1)[NH+]1CCC(C(=O)NC)CC1 ZINC000043240657 183345821 /nfs/dbraw/zinc/34/58/21/183345821.db2.gz PWZUSQANMRRUOY-DZGCQCFKSA-N 2 2 309.479 2.293 10 0 DEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)c2cccn2C)C1 ZINC000106215390 194190346 /nfs/dbraw/zinc/19/03/46/194190346.db2.gz MMTBKAOTIFJIRV-AWEZNQCLSA-N 2 2 300.406 2.304 10 0 DEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)c2cccn2C)C1 ZINC000106215390 194190347 /nfs/dbraw/zinc/19/03/47/194190347.db2.gz MMTBKAOTIFJIRV-AWEZNQCLSA-N 2 2 300.406 2.304 10 0 DEAELP C[NH+](C)[C@H](C(=O)NCc1[nH+]cc2ccccn21)c1ccccc1 ZINC000062225613 184224247 /nfs/dbraw/zinc/22/42/47/184224247.db2.gz HAIMMLRLALPQDE-KRWDZBQOSA-N 2 2 308.385 2.253 10 0 DEAELP CN(Cc1[nH+]ccn1C)[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000062247620 184225261 /nfs/dbraw/zinc/22/52/61/184225261.db2.gz HTGIZIBTYJEAIM-ZDUSSCGKSA-N 2 2 323.238 2.314 10 0 DEAELP CCC[NH2+]Cc1sc(N2CCn3cc[nH+]c3C2)nc1CC ZINC000062328107 184230981 /nfs/dbraw/zinc/23/09/81/184230981.db2.gz MJYQXNVFOYTEGS-UHFFFAOYSA-N 2 2 305.451 2.422 10 0 DEAELP CNc1nc(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(Br)c[nH+]1 ZINC000159241088 197339426 /nfs/dbraw/zinc/33/94/26/197339426.db2.gz GBOLHPNTJFQYEN-DTWKUNHWSA-N 2 2 314.231 2.175 10 0 DEAELP CNc1nc(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(Br)c[nH+]1 ZINC000159241088 197339428 /nfs/dbraw/zinc/33/94/28/197339428.db2.gz GBOLHPNTJFQYEN-DTWKUNHWSA-N 2 2 314.231 2.175 10 0 DEAELP C[C@@H]1OCC[C@H]1[N@H+](C)[C@@H](C[NH3+])c1ccc(OC(F)F)cc1 ZINC000158553001 197283086 /nfs/dbraw/zinc/28/30/86/197283086.db2.gz UNKRSAJQAOODBA-GDLCADMTSA-N 2 2 300.349 2.397 10 0 DEAELP C[C@@H]1OCC[C@H]1[N@@H+](C)[C@@H](C[NH3+])c1ccc(OC(F)F)cc1 ZINC000158553001 197283088 /nfs/dbraw/zinc/28/30/88/197283088.db2.gz UNKRSAJQAOODBA-GDLCADMTSA-N 2 2 300.349 2.397 10 0 DEAELP CCC[C@H](C(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1)[NH+](C)C ZINC000157013975 197155608 /nfs/dbraw/zinc/15/56/08/197155608.db2.gz DKSDEJMPGZTMJW-OAHLLOKOSA-N 2 2 306.454 2.159 10 0 DEAELP Cc1ccc2[nH+]cc(C[NH2+][C@H]3CCCN(c4cccnn4)C3)n2c1 ZINC000156583558 197125799 /nfs/dbraw/zinc/12/57/99/197125799.db2.gz SVSPIVSWDYJWDY-HNNXBMFYSA-N 2 2 322.416 2.191 10 0 DEAELP Cc1ncsc1C[N@@H+]1C[C@H]2COC[C@@]2(C[NH+]2CCCCC2)C1 ZINC000248071397 257109976 /nfs/dbraw/zinc/10/99/76/257109976.db2.gz YKGIUSIFVDNIAY-DOTOQJQBSA-N 2 2 321.490 2.386 10 0 DEAELP Cc1ncsc1C[N@H+]1C[C@H]2COC[C@@]2(C[NH+]2CCCCC2)C1 ZINC000248071397 257109978 /nfs/dbraw/zinc/10/99/78/257109978.db2.gz YKGIUSIFVDNIAY-DOTOQJQBSA-N 2 2 321.490 2.386 10 0 DEAELP FC(F)C(F)(F)COCC[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000188769890 145017572 /nfs/dbraw/zinc/01/75/72/145017572.db2.gz WKHFJCUGMDIZDL-UHFFFAOYSA-N 2 2 312.351 2.464 10 0 DEAELP CCc1nnc(C2CC[NH+](CCC[NH+]3CCCCC3)CC2)[nH]1 ZINC000190699713 145046520 /nfs/dbraw/zinc/04/65/20/145046520.db2.gz WRPASSIPWFTKTC-UHFFFAOYSA-N 2 2 305.470 2.423 10 0 DEAELP CCc1n[nH]c(C2CC[NH+](CCC[NH+]3CCCCC3)CC2)n1 ZINC000190699713 145046522 /nfs/dbraw/zinc/04/65/22/145046522.db2.gz WRPASSIPWFTKTC-UHFFFAOYSA-N 2 2 305.470 2.423 10 0 DEAELP COc1ncccc1C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000193338040 145085193 /nfs/dbraw/zinc/08/51/93/145085193.db2.gz XJGJCAAJJLMPDW-UHFFFAOYSA-N 2 2 300.406 2.278 10 0 DEAELP Cc1cccc(C)c1NC(=O)[C@@H](C)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193657349 145088611 /nfs/dbraw/zinc/08/86/11/145088611.db2.gz UJAUGUOIULSDFL-OAGGEKHMSA-N 2 2 301.434 2.124 10 0 DEAELP Cc1cccc(C)c1NC(=O)[C@@H](C)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193657349 145088614 /nfs/dbraw/zinc/08/86/14/145088614.db2.gz UJAUGUOIULSDFL-OAGGEKHMSA-N 2 2 301.434 2.124 10 0 DEAELP Cc1cccc(C)c1NC(=O)[C@@H](C)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193657349 145088615 /nfs/dbraw/zinc/08/86/15/145088615.db2.gz UJAUGUOIULSDFL-OAGGEKHMSA-N 2 2 301.434 2.124 10 0 DEAELP Cc1cccc(C)c1NC(=O)[C@@H](C)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193657349 145088617 /nfs/dbraw/zinc/08/86/17/145088617.db2.gz UJAUGUOIULSDFL-OAGGEKHMSA-N 2 2 301.434 2.124 10 0 DEAELP C[C@@H]1CCC[C@H](NC(=O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)[C@H]1C ZINC000246933846 145119645 /nfs/dbraw/zinc/11/96/45/145119645.db2.gz QMEJWCWOFMCQQP-UUAJXVIYSA-N 2 2 309.498 2.342 10 0 DEAELP C[C@@H]1CCC[C@H](NC(=O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)[C@H]1C ZINC000246933846 145119647 /nfs/dbraw/zinc/11/96/47/145119647.db2.gz QMEJWCWOFMCQQP-UUAJXVIYSA-N 2 2 309.498 2.342 10 0 DEAELP C[C@@H]1CCC[C@H](NC(=O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)[C@H]1C ZINC000246933846 145119648 /nfs/dbraw/zinc/11/96/48/145119648.db2.gz QMEJWCWOFMCQQP-UUAJXVIYSA-N 2 2 309.498 2.342 10 0 DEAELP C[C@@H]1CCC[C@H](NC(=O)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)[C@H]1C ZINC000246933846 145119650 /nfs/dbraw/zinc/11/96/50/145119650.db2.gz QMEJWCWOFMCQQP-UUAJXVIYSA-N 2 2 309.498 2.342 10 0 DEAELP C[C@H]1CC[N@H+](Cc2nnc(C3CCC3)n2C)C[C@H]1n1cc[nH+]c1 ZINC000248385381 145152426 /nfs/dbraw/zinc/15/24/26/145152426.db2.gz IENAPXGAHHQPFV-DZGCQCFKSA-N 2 2 314.437 2.362 10 0 DEAELP CSc1ccc(NC(=O)C[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000261603162 145209253 /nfs/dbraw/zinc/20/92/53/145209253.db2.gz AFRDWJMPMJIXGT-CQSZACIVSA-N 2 2 307.463 2.406 10 0 DEAELP CSc1ccc(NC(=O)C[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000261603162 145209255 /nfs/dbraw/zinc/20/92/55/145209255.db2.gz AFRDWJMPMJIXGT-CQSZACIVSA-N 2 2 307.463 2.406 10 0 DEAELP C[N@H+](CC(=O)N1CCC[C@@H]2CCCC[C@@H]21)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261653229 145213973 /nfs/dbraw/zinc/21/39/73/145213973.db2.gz FOLMOYHRCPMHKL-AQDBYXPISA-N 2 2 319.493 2.382 10 0 DEAELP C[N@@H+](CC(=O)N1CCC[C@@H]2CCCC[C@@H]21)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261653229 145213974 /nfs/dbraw/zinc/21/39/74/145213974.db2.gz FOLMOYHRCPMHKL-AQDBYXPISA-N 2 2 319.493 2.382 10 0 DEAELP COCc1cnc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)s1 ZINC000261773462 145225158 /nfs/dbraw/zinc/22/51/58/145225158.db2.gz SLJCQKGKSPOFGP-ZBFHGGJFSA-N 2 2 317.458 2.464 10 0 DEAELP COCc1cnc(C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)s1 ZINC000261773462 145225159 /nfs/dbraw/zinc/22/51/59/145225159.db2.gz SLJCQKGKSPOFGP-ZBFHGGJFSA-N 2 2 317.458 2.464 10 0 DEAELP Cc1ccc2[nH+]cc(CN3CC[NH2+]C[C@H]3c3cccnc3)n2c1 ZINC000261796310 145227582 /nfs/dbraw/zinc/22/75/82/145227582.db2.gz VLXBZFDECXWROV-KRWDZBQOSA-N 2 2 307.401 2.184 10 0 DEAELP CC1(C)C[N@H+](Cc2ccc(Cl)cc2-n2cncn2)CC[C@H]1[NH3+] ZINC000262032165 145255460 /nfs/dbraw/zinc/25/54/60/145255460.db2.gz XFXYIBWBSGADAI-OAHLLOKOSA-N 2 2 319.840 2.480 10 0 DEAELP CC1(C)C[N@@H+](Cc2ccc(Cl)cc2-n2cncn2)CC[C@H]1[NH3+] ZINC000262032165 145255462 /nfs/dbraw/zinc/25/54/62/145255462.db2.gz XFXYIBWBSGADAI-OAHLLOKOSA-N 2 2 319.840 2.480 10 0 DEAELP CC1CC[NH+](C[C@H]2CCC[N@H+](C[C@H](O)C(F)(F)F)C2)CC1 ZINC000121132395 402017031 /nfs/dbraw/zinc/01/70/31/402017031.db2.gz HKDIKSXIBZMUBN-KGLIPLIRSA-N 2 2 308.388 2.354 10 0 DEAELP CC1CC[NH+](C[C@H]2CCC[N@@H+](C[C@H](O)C(F)(F)F)C2)CC1 ZINC000121132395 402017033 /nfs/dbraw/zinc/01/70/33/402017033.db2.gz HKDIKSXIBZMUBN-KGLIPLIRSA-N 2 2 308.388 2.354 10 0 DEAELP Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1cccnc1-n1cc[nH+]c1 ZINC000151546976 402042682 /nfs/dbraw/zinc/04/26/82/402042682.db2.gz GJYPICMPQYOKFL-HNNXBMFYSA-N 2 2 308.389 2.168 10 0 DEAELP Cn1cc[nH+]c1-c1cccc(NC(=O)N2CC[C@@H]([NH+](C)C)C2)c1 ZINC000150867246 402001569 /nfs/dbraw/zinc/00/15/69/402001569.db2.gz OEYBLGMEHQIVSI-OAHLLOKOSA-N 2 2 313.405 2.255 10 0 DEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cc(C(N)=O)cs2)C1 ZINC000122944490 402102939 /nfs/dbraw/zinc/10/29/39/402102939.db2.gz CZXAEIFPHNPUSO-CYBMUJFWSA-N 2 2 318.446 2.443 10 0 DEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cc(C(N)=O)cs2)C1 ZINC000122944490 402102942 /nfs/dbraw/zinc/10/29/42/402102942.db2.gz CZXAEIFPHNPUSO-CYBMUJFWSA-N 2 2 318.446 2.443 10 0 DEAELP C[C@H](C[NH2+][C@@H](C)c1ccc([S@](C)=O)cc1)C[NH+]1CCOCC1 ZINC000153255947 402136149 /nfs/dbraw/zinc/13/61/49/402136149.db2.gz ABVZKJYJIHJDRM-ZCCHDVMBSA-N 2 2 324.490 2.043 10 0 DEAELP CN(C)C(=O)C1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000071090286 402269864 /nfs/dbraw/zinc/26/98/64/402269864.db2.gz KYFLDAKTMWMGDP-UHFFFAOYSA-N 2 2 312.417 2.173 10 0 DEAELP Cc1ccc(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)s1 ZINC000176505556 402315710 /nfs/dbraw/zinc/31/57/10/402315710.db2.gz FOOZGJZIEQEVOY-UHFFFAOYSA-N 2 2 310.467 2.204 10 0 DEAELP Cc1csc(C[N@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)n1 ZINC000162051015 402407671 /nfs/dbraw/zinc/40/76/71/402407671.db2.gz NGBWKJVRJFPIKG-HNNXBMFYSA-N 2 2 308.495 2.053 10 0 DEAELP Cc1csc(C[N@@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)n1 ZINC000162051015 402407675 /nfs/dbraw/zinc/40/76/75/402407675.db2.gz NGBWKJVRJFPIKG-HNNXBMFYSA-N 2 2 308.495 2.053 10 0 DEAELP Cc1ncc(C[NH+]2CCN(CC[C@H]3CCC[N@H+]3C)CC2)s1 ZINC000162978815 402438567 /nfs/dbraw/zinc/43/85/67/402438567.db2.gz WAUAMXUGKZPUMQ-OAHLLOKOSA-N 2 2 308.495 2.053 10 0 DEAELP Cc1ncc(C[NH+]2CCN(CC[C@H]3CCC[N@@H+]3C)CC2)s1 ZINC000162978815 402438570 /nfs/dbraw/zinc/43/85/70/402438570.db2.gz WAUAMXUGKZPUMQ-OAHLLOKOSA-N 2 2 308.495 2.053 10 0 DEAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(OC)cc2)[C@@H](C)C1 ZINC000245412282 402457945 /nfs/dbraw/zinc/45/79/45/402457945.db2.gz AHNABWBNEGNJAD-WMLDXEAASA-N 2 2 319.449 2.296 10 0 DEAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(OC)cc2)[C@@H](C)C1 ZINC000245412282 402457948 /nfs/dbraw/zinc/45/79/48/402457948.db2.gz AHNABWBNEGNJAD-WMLDXEAASA-N 2 2 319.449 2.296 10 0 DEAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc(OC)cc2)[C@@H](C)C1 ZINC000245412282 402457951 /nfs/dbraw/zinc/45/79/51/402457951.db2.gz AHNABWBNEGNJAD-WMLDXEAASA-N 2 2 319.449 2.296 10 0 DEAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc(OC)cc2)[C@@H](C)C1 ZINC000245412282 402457954 /nfs/dbraw/zinc/45/79/54/402457954.db2.gz AHNABWBNEGNJAD-WMLDXEAASA-N 2 2 319.449 2.296 10 0 DEAELP C[C@H]([NH2+]C(C)(C)C[NH2+]C1CCN(C(N)=O)CC1)c1ccccc1 ZINC000167852314 402494308 /nfs/dbraw/zinc/49/43/08/402494308.db2.gz XJKHAIIZFZCJHA-AWEZNQCLSA-N 2 2 318.465 2.249 10 0 DEAELP C[C@@H]([NH2+]CCCN1CCOCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189914153 402566955 /nfs/dbraw/zinc/56/69/55/402566955.db2.gz FXWYYXLMGTYRAH-MRXNPFEDSA-N 2 2 314.433 2.245 10 0 DEAELP CC(C)[C@H](C)CC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000170781889 402524523 /nfs/dbraw/zinc/52/45/23/402524523.db2.gz YKGBFHVMGKDVOE-OAHLLOKOSA-N 2 2 309.498 2.343 10 0 DEAELP CC(C)[C@@H](C)CC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000170781886 402524541 /nfs/dbraw/zinc/52/45/41/402524541.db2.gz YKGBFHVMGKDVOE-HNNXBMFYSA-N 2 2 309.498 2.343 10 0 DEAELP CCn1nccc1C[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000190478341 402604161 /nfs/dbraw/zinc/60/41/61/402604161.db2.gz OJMDAGVYNWRFAC-KRWDZBQOSA-N 2 2 313.449 2.252 10 0 DEAELP CCn1nccc1C[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000190478341 402604162 /nfs/dbraw/zinc/60/41/62/402604162.db2.gz OJMDAGVYNWRFAC-KRWDZBQOSA-N 2 2 313.449 2.252 10 0 DEAELP CCn1nccc1C[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190478341 402604164 /nfs/dbraw/zinc/60/41/64/402604164.db2.gz OJMDAGVYNWRFAC-KRWDZBQOSA-N 2 2 313.449 2.252 10 0 DEAELP CCn1nccc1C[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000190478341 402604166 /nfs/dbraw/zinc/60/41/66/402604166.db2.gz OJMDAGVYNWRFAC-KRWDZBQOSA-N 2 2 313.449 2.252 10 0 DEAELP CCCN(CCC)C(=O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000171645399 402605262 /nfs/dbraw/zinc/60/52/62/402605262.db2.gz DWBNFYKXJGIZAY-INIZCTEOSA-N 2 2 318.465 2.464 10 0 DEAELP CCCN(CCC)C(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000171645399 402605264 /nfs/dbraw/zinc/60/52/64/402605264.db2.gz DWBNFYKXJGIZAY-INIZCTEOSA-N 2 2 318.465 2.464 10 0 DEAELP C[C@@H]1CC[C@H](C)[N@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000174013759 402723517 /nfs/dbraw/zinc/72/35/17/402723517.db2.gz UQSFVIZOCHBGCN-CVEARBPZSA-N 2 2 319.449 2.044 10 0 DEAELP C[C@@H]1CC[C@H](C)[N@@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000174013759 402723520 /nfs/dbraw/zinc/72/35/20/402723520.db2.gz UQSFVIZOCHBGCN-CVEARBPZSA-N 2 2 319.449 2.044 10 0 DEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000175471300 402809503 /nfs/dbraw/zinc/80/95/03/402809503.db2.gz GGEIKQOZVRYRRR-OAHLLOKOSA-N 2 2 321.469 2.022 10 0 DEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000175471300 402809504 /nfs/dbraw/zinc/80/95/04/402809504.db2.gz GGEIKQOZVRYRRR-OAHLLOKOSA-N 2 2 321.469 2.022 10 0 DEAELP CCc1nnc(C[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)n1C ZINC000195516357 402849263 /nfs/dbraw/zinc/84/92/63/402849263.db2.gz OUUCJRJAONFYCX-CQSZACIVSA-N 2 2 314.437 2.015 10 0 DEAELP CCc1nnc(C[N@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)n1C ZINC000195516357 402849264 /nfs/dbraw/zinc/84/92/64/402849264.db2.gz OUUCJRJAONFYCX-CQSZACIVSA-N 2 2 314.437 2.015 10 0 DEAELP c1cc(N2CCC(OCC[NH+]3CCCC3)CC2)nc(C2CC2)[nH+]1 ZINC000301440437 403629367 /nfs/dbraw/zinc/62/93/67/403629367.db2.gz VDGLXVATBPVBSS-UHFFFAOYSA-N 2 2 316.449 2.435 10 0 DEAELP Clc1ccc2[nH+]ccc(NC[C@H]3C[NH+]4CCN3CC4)c2c1 ZINC000301756340 403674145 /nfs/dbraw/zinc/67/41/45/403674145.db2.gz DQCWVUFNWLQNMV-ZDUSSCGKSA-N 2 2 302.809 2.300 10 0 DEAELP Clc1ccc2[nH+]ccc(NC[C@H]3CN4CC[NH+]3CC4)c2c1 ZINC000301756340 403674150 /nfs/dbraw/zinc/67/41/50/403674150.db2.gz DQCWVUFNWLQNMV-ZDUSSCGKSA-N 2 2 302.809 2.300 10 0 DEAELP NC(=O)C1CCC([NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000302872310 403738110 /nfs/dbraw/zinc/73/81/10/403738110.db2.gz LJOPWQYJLGYDEM-DAWZGUTISA-N 2 2 315.461 2.285 10 0 DEAELP NC(=O)C1CCC([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000302872310 403738114 /nfs/dbraw/zinc/73/81/14/403738114.db2.gz LJOPWQYJLGYDEM-DAWZGUTISA-N 2 2 315.461 2.285 10 0 DEAELP C[C@@H]1C[C@H]([NH2+]C2CCC(C(N)=O)CC2)C[N@@H+]1Cc1ccccc1 ZINC000303491660 403755356 /nfs/dbraw/zinc/75/53/56/403755356.db2.gz ZUCUZIRIKWIBPH-LTDKPHRXSA-N 2 2 315.461 2.283 10 0 DEAELP C[C@@H]1C[C@H]([NH2+]C2CCC(C(N)=O)CC2)C[N@H+]1Cc1ccccc1 ZINC000303491660 403755357 /nfs/dbraw/zinc/75/53/57/403755357.db2.gz ZUCUZIRIKWIBPH-LTDKPHRXSA-N 2 2 315.461 2.283 10 0 DEAELP CC[C@H](C)NC(=O)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000370023202 404308696 /nfs/dbraw/zinc/30/86/96/404308696.db2.gz XBAKNUIVRIYHII-GJZGRUSLSA-N 2 2 318.465 2.314 10 0 DEAELP CC[C@H](C)NC(=O)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000370023202 404308699 /nfs/dbraw/zinc/30/86/99/404308699.db2.gz XBAKNUIVRIYHII-GJZGRUSLSA-N 2 2 318.465 2.314 10 0 DEAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@H]3CCCCC3(C)C)C2)CC1 ZINC000366051634 404749169 /nfs/dbraw/zinc/74/91/69/404749169.db2.gz IYSPUJVPAWBEEX-DOTOQJQBSA-N 2 2 321.509 2.488 10 0 DEAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@H]3CCCCC3(C)C)C2)CC1 ZINC000366051634 404749173 /nfs/dbraw/zinc/74/91/73/404749173.db2.gz IYSPUJVPAWBEEX-DOTOQJQBSA-N 2 2 321.509 2.488 10 0 DEAELP c1cncc(C[NH2+]CCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000414857269 404750054 /nfs/dbraw/zinc/75/00/54/404750054.db2.gz CHYDDTBYXMVUER-KSZLIROESA-N 3 2 302.466 2.072 10 0 DEAELP c1nc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)oc1C1CC1 ZINC000366875251 404861822 /nfs/dbraw/zinc/86/18/22/404861822.db2.gz BEVNGDGINAQRGM-UHFFFAOYSA-N 2 2 305.422 2.096 10 0 DEAELP OC[C@@H]1CCC[C@H](C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000367560807 405083701 /nfs/dbraw/zinc/08/37/01/405083701.db2.gz AZFFOQPRKDXBCI-DLBZAZTESA-N 2 2 317.477 2.434 10 0 DEAELP COC1([C@@H](C)[NH2+]CCCCNc2cccc[nH+]2)CCOCC1 ZINC000453099713 405284168 /nfs/dbraw/zinc/28/41/68/405284168.db2.gz WUZUTXZQUANBBS-OAHLLOKOSA-N 2 2 307.438 2.447 10 0 DEAELP c1cc(C[NH+]2CCOCC2)ccc1C[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000420980223 405419456 /nfs/dbraw/zinc/41/94/56/405419456.db2.gz WFKWFUMMKYBOHU-IRXDYDNUSA-N 2 2 304.459 2.209 10 0 DEAELP c1cc(C[NH+]2CCOCC2)ccc1C[N@H+]1C[C@@H]2C[C@H]1CS2 ZINC000420980223 405419458 /nfs/dbraw/zinc/41/94/58/405419458.db2.gz WFKWFUMMKYBOHU-IRXDYDNUSA-N 2 2 304.459 2.209 10 0 DEAELP Cn1cncc1[C@H]1[C@H](CNc2cc[nH+]cc2Cl)CCC[N@@H+]1C ZINC000583618240 405777061 /nfs/dbraw/zinc/77/70/61/405777061.db2.gz XFDQKHSZBPJODV-BLLLJJGKSA-N 2 2 319.840 2.385 10 0 DEAELP Cn1cncc1[C@H]1[C@H](CNc2cc[nH+]cc2Cl)CCC[N@H+]1C ZINC000583618240 405777063 /nfs/dbraw/zinc/77/70/63/405777063.db2.gz XFDQKHSZBPJODV-BLLLJJGKSA-N 2 2 319.840 2.385 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@@H](C1CC1)[NH+](C)C)C2 ZINC000530422196 405799498 /nfs/dbraw/zinc/79/94/98/405799498.db2.gz RRSDEGRNKUVTGI-BBRMVZONSA-N 2 2 318.465 2.094 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@@H](C1CC1)[NH+](C)C)CC2 ZINC000530422196 405799507 /nfs/dbraw/zinc/79/95/07/405799507.db2.gz RRSDEGRNKUVTGI-BBRMVZONSA-N 2 2 318.465 2.094 10 0 DEAELP c1nnn(Cc2ccccc2)c1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000490576905 406472521 /nfs/dbraw/zinc/47/25/21/406472521.db2.gz DSJJHOPPHZJKSI-SJORKVTESA-N 2 2 311.433 2.043 10 0 DEAELP c1nnn(Cc2ccccc2)c1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000490576905 406472526 /nfs/dbraw/zinc/47/25/26/406472526.db2.gz DSJJHOPPHZJKSI-SJORKVTESA-N 2 2 311.433 2.043 10 0 DEAELP c1cc(C[NH+]2CCC([NH2+]CC[C@@H]3CCCOC3)CC2)ccn1 ZINC000527925223 406789685 /nfs/dbraw/zinc/78/96/85/406789685.db2.gz IKDPPNKJMXUXKC-KRWDZBQOSA-N 2 2 303.450 2.452 10 0 DEAELP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccccc1Br ZINC000311090520 424895001 /nfs/dbraw/zinc/89/50/01/424895001.db2.gz ICKJDSBQXRLEGG-VXGBXAGGSA-N 2 2 315.255 2.412 10 0 DEAELP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccccc1Br ZINC000311090520 424895004 /nfs/dbraw/zinc/89/50/04/424895004.db2.gz ICKJDSBQXRLEGG-VXGBXAGGSA-N 2 2 315.255 2.412 10 0 DEAELP CC(C)c1cc(N2CC[N@@H+]3CCOC[C@@H]3C2)nc(C(C)C)[nH+]1 ZINC000371808281 519833212 /nfs/dbraw/zinc/83/32/12/519833212.db2.gz HLIUMNOXSMQFCF-AWEZNQCLSA-N 2 2 304.438 2.244 10 0 DEAELP CC(C)c1cc(N2CC[N@H+]3CCOC[C@@H]3C2)nc(C(C)C)[nH+]1 ZINC000371808281 519833213 /nfs/dbraw/zinc/83/32/13/519833213.db2.gz HLIUMNOXSMQFCF-AWEZNQCLSA-N 2 2 304.438 2.244 10 0 DEAELP CCCOC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000247035587 535217768 /nfs/dbraw/zinc/21/77/68/535217768.db2.gz VCQBXSYIQPJUCO-CABCVRRESA-N 2 2 305.422 2.466 10 0 DEAELP CCCOC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000247035587 535217775 /nfs/dbraw/zinc/21/77/75/535217775.db2.gz VCQBXSYIQPJUCO-CABCVRRESA-N 2 2 305.422 2.466 10 0 DEAELP Cn1c[nH+]cc1CCOC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000805922916 643847008 /nfs/dbraw/zinc/84/70/08/643847008.db2.gz YBQIXIFYGHFMDA-UHFFFAOYSA-N 2 2 313.401 2.415 10 0 DEAELP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000724641299 787352558 /nfs/dbraw/zinc/35/25/58/787352558.db2.gz UEVSGVYJVHGTJB-FGTMMUONSA-N 2 2 318.461 2.291 10 0 DEAELP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000724641299 787352566 /nfs/dbraw/zinc/35/25/66/787352566.db2.gz UEVSGVYJVHGTJB-FGTMMUONSA-N 2 2 318.461 2.291 10 0 DEAELP CC(C)(C)OC(=O)N1CC(C[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)C1 ZINC000710985896 1086692729 /nfs/dbraw/zinc/69/27/29/1086692729.db2.gz ZRLKIZHHQRJHRJ-AWEZNQCLSA-N 2 2 311.470 2.316 10 0 DEAELP CC(C)(C)OC(=O)N1CC(C[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)C1 ZINC000710985896 1086692731 /nfs/dbraw/zinc/69/27/31/1086692731.db2.gz ZRLKIZHHQRJHRJ-AWEZNQCLSA-N 2 2 311.470 2.316 10 0 DEAELP C[N@H+](Cc1cc(Br)cs1)C[C@]1([NH3+])CCOC1 ZINC000082986640 185210384 /nfs/dbraw/zinc/21/03/84/185210384.db2.gz SDYCYIUZHLFHBO-LLVKDONJSA-N 2 2 305.241 2.060 10 0 DEAELP C[N@@H+](Cc1cc(Br)cs1)C[C@]1([NH3+])CCOC1 ZINC000082986640 185210385 /nfs/dbraw/zinc/21/03/85/185210385.db2.gz SDYCYIUZHLFHBO-LLVKDONJSA-N 2 2 305.241 2.060 10 0 DEAELP [NH3+]C[C@@H]([NH2+]C[C@@H]1CCCO1)c1ccc(F)c(Br)c1 ZINC000087928230 185237707 /nfs/dbraw/zinc/23/77/07/185237707.db2.gz IMCXOBCUIMZHEA-GXFFZTMASA-N 2 2 317.202 2.357 10 0 DEAELP [NH3+]C[C@H]([NH2+]C[C@@H]1CCCO1)c1ccc(OC(F)(F)F)cc1 ZINC000087928677 185237729 /nfs/dbraw/zinc/23/77/29/185237729.db2.gz PKFASDAXLFNYDK-STQMWFEESA-N 2 2 304.312 2.354 10 0 DEAELP CC1(C)[C@@H]2C[NH2+]C[C@H]2C[N@@H+]1CC(=O)Nc1cccc(Cl)c1 ZINC000090337924 185291846 /nfs/dbraw/zinc/29/18/46/185291846.db2.gz NKEFSPUUYMOYHZ-SMDDNHRTSA-N 2 2 307.825 2.208 10 0 DEAELP CC1(C)[C@@H]2C[NH2+]C[C@H]2C[N@H+]1CC(=O)Nc1cccc(Cl)c1 ZINC000090337924 185291847 /nfs/dbraw/zinc/29/18/47/185291847.db2.gz NKEFSPUUYMOYHZ-SMDDNHRTSA-N 2 2 307.825 2.208 10 0 DEAELP CC1(C)[C@@H]2C[NH2+]C[C@@H]2C[N@@H+]1Cc1nc(-c2ccsc2)no1 ZINC000090338331 185291976 /nfs/dbraw/zinc/29/19/76/185291976.db2.gz NHWFELTXSSAQBI-VXGBXAGGSA-N 2 2 304.419 2.228 10 0 DEAELP CC1(C)[C@@H]2C[NH2+]C[C@@H]2C[N@H+]1Cc1nc(-c2ccsc2)no1 ZINC000090338331 185291977 /nfs/dbraw/zinc/29/19/77/185291977.db2.gz NHWFELTXSSAQBI-VXGBXAGGSA-N 2 2 304.419 2.228 10 0 DEAELP CSc1ccc([C@H](C)NC(=O)C[NH+]2CCC([NH3+])CC2)cc1 ZINC000092713849 185335978 /nfs/dbraw/zinc/33/59/78/185335978.db2.gz YLUDVHYLBMUYKN-LBPRGKRZSA-N 2 2 307.463 2.009 10 0 DEAELP C[C@@H]1C[N@@H+](C2CC[NH+](CCCOCC(F)(F)F)CC2)CCO1 ZINC000097153452 185416675 /nfs/dbraw/zinc/41/66/75/185416675.db2.gz BBSYSUQPEBWIKA-CYBMUJFWSA-N 2 2 324.387 2.141 10 0 DEAELP C[C@@H]1C[N@H+](C2CC[NH+](CCCOCC(F)(F)F)CC2)CCO1 ZINC000097153452 185416676 /nfs/dbraw/zinc/41/66/76/185416676.db2.gz BBSYSUQPEBWIKA-CYBMUJFWSA-N 2 2 324.387 2.141 10 0 DEAELP C[N@H+](C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)[C@H]1CCCC[C@H]1O ZINC000328649777 529955191 /nfs/dbraw/zinc/95/51/91/529955191.db2.gz VCHNCXOESHLYPT-FJIDUMEYSA-N 2 2 303.450 2.310 10 0 DEAELP C[N@@H+](C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)[C@H]1CCCC[C@H]1O ZINC000328649777 529955193 /nfs/dbraw/zinc/95/51/93/529955193.db2.gz VCHNCXOESHLYPT-FJIDUMEYSA-N 2 2 303.450 2.310 10 0 DEAELP C[NH+](C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)[C@H]1CCCC[C@H]1O ZINC000328649777 529955194 /nfs/dbraw/zinc/95/51/94/529955194.db2.gz VCHNCXOESHLYPT-FJIDUMEYSA-N 2 2 303.450 2.310 10 0 DEAELP C[NH+](C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)[C@H]1CCCC[C@H]1O ZINC000328649777 529955195 /nfs/dbraw/zinc/95/51/95/529955195.db2.gz VCHNCXOESHLYPT-FJIDUMEYSA-N 2 2 303.450 2.310 10 0 DEAELP CC(C)(C)[NH2+]C[C@H]1CC[C@@H]1[NH+]1CCN(c2nccs2)CC1 ZINC000127016124 185913081 /nfs/dbraw/zinc/91/30/81/185913081.db2.gz DDQOBNRXSUJEAW-KGLIPLIRSA-N 2 2 308.495 2.432 10 0 DEAELP Cc1[nH+]c2ccccc2n1CC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000172620399 198125592 /nfs/dbraw/zinc/12/55/92/198125592.db2.gz ZOKHPRNALUXJGG-HIFRSBDPSA-N 2 2 314.433 2.286 10 0 DEAELP Cc1[nH+]c2ccccc2n1CC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000172620399 198125595 /nfs/dbraw/zinc/12/55/95/198125595.db2.gz ZOKHPRNALUXJGG-HIFRSBDPSA-N 2 2 314.433 2.286 10 0 DEAELP C[C@H]1C[C@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC[N@@H+]1C ZINC000172620611 198127120 /nfs/dbraw/zinc/12/71/20/198127120.db2.gz MJJDQNWHASYQOS-WMLDXEAASA-N 2 2 312.417 2.427 10 0 DEAELP C[C@H]1C[C@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC[N@H+]1C ZINC000172620611 198127122 /nfs/dbraw/zinc/12/71/22/198127122.db2.gz MJJDQNWHASYQOS-WMLDXEAASA-N 2 2 312.417 2.427 10 0 DEAELP Cc1nc(N(C)C[C@H]2CC[N@H+](C)C2)c(Br)c(C)[nH+]1 ZINC000323223818 539905630 /nfs/dbraw/zinc/90/56/30/539905630.db2.gz WBEMLPFTZKPGFG-NSHDSACASA-N 2 2 313.243 2.244 10 0 DEAELP Cc1nc(N(C)C[C@H]2CC[N@@H+](C)C2)c(Br)c(C)[nH+]1 ZINC000323223818 539905633 /nfs/dbraw/zinc/90/56/33/539905633.db2.gz WBEMLPFTZKPGFG-NSHDSACASA-N 2 2 313.243 2.244 10 0 DEAELP Cc1nnc([C@H](C)[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)o1 ZINC000069016749 354844815 /nfs/dbraw/zinc/84/48/15/354844815.db2.gz HFPSEYRFWDXUQG-MCIONIFRSA-N 2 2 322.453 2.260 10 0 DEAELP CC1(C)C[N@@H+](CC(=O)NCc2cccc(Cl)c2)CC[C@H]1[NH3+] ZINC000261790864 535352545 /nfs/dbraw/zinc/35/25/45/535352545.db2.gz NPVIWRAUSUDCAS-CQSZACIVSA-N 2 2 309.841 2.015 10 0 DEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ncn(-c2ccccc2)n1 ZINC000179358644 199020929 /nfs/dbraw/zinc/02/09/29/199020929.db2.gz BBYVQXAJWXHQLS-KRWDZBQOSA-N 2 2 322.416 2.437 10 0 DEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1ncn(-c2ccccc2)n1 ZINC000179358644 199020931 /nfs/dbraw/zinc/02/09/31/199020931.db2.gz BBYVQXAJWXHQLS-KRWDZBQOSA-N 2 2 322.416 2.437 10 0 DEAELP CCOC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)o1 ZINC000188411753 200242145 /nfs/dbraw/zinc/24/21/45/200242145.db2.gz OARIDMMZQKKJSY-CYBMUJFWSA-N 2 2 303.362 2.317 10 0 DEAELP CCOC(=O)c1ccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)o1 ZINC000188411753 200242146 /nfs/dbraw/zinc/24/21/46/200242146.db2.gz OARIDMMZQKKJSY-CYBMUJFWSA-N 2 2 303.362 2.317 10 0 DEAELP c1c[nH+]c(C2CC[NH+](Cc3nc(-c4ccccn4)no3)CC2)[nH]1 ZINC000608756839 361260407 /nfs/dbraw/zinc/26/04/07/361260407.db2.gz XXIPZIYVYQTPIO-UHFFFAOYSA-N 2 2 310.361 2.234 10 0 DEAELP Cc1nc(C)c(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)o1 ZINC000628219038 366772407 /nfs/dbraw/zinc/77/24/07/366772407.db2.gz ZWVYHEBBJRJPTR-SFHVURJKSA-N 2 2 315.417 2.018 10 0 DEAELP Cc1nc(C)c(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000628219038 366772408 /nfs/dbraw/zinc/77/24/08/366772408.db2.gz ZWVYHEBBJRJPTR-SFHVURJKSA-N 2 2 315.417 2.018 10 0 DEAELP Cc1cccc(N2CC[NH+](CC[C@H]3CSCC[NH2+]3)CC2)c1 ZINC000091291984 193033162 /nfs/dbraw/zinc/03/31/62/193033162.db2.gz OMZZZRKWCUNGLC-INIZCTEOSA-N 2 2 305.491 2.212 10 0 DEAELP CC[C@](C)([C@@H]([NH3+])CCCS(=O)(=O)CC)[NH+]1CCCCC1 ZINC000091608948 193079947 /nfs/dbraw/zinc/07/99/47/193079947.db2.gz YJSQTSIBJHMIRB-LSDHHAIUSA-N 2 2 304.500 2.183 10 0 DEAELP c1cc(OCC[NH+]2CCOCC2)ccc1C[NH2+][C@H]1[C@@H]2CCC[C@@H]21 ZINC000631179105 368064532 /nfs/dbraw/zinc/06/45/32/368064532.db2.gz ZAKQYHLGISZERH-BWTSREIZSA-N 2 2 316.445 2.286 10 0 DEAELP CC(=O)c1ccccc1OCC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631885961 368441345 /nfs/dbraw/zinc/44/13/45/368441345.db2.gz FNGPTPTWLUPKOV-RDJZCZTQSA-N 2 2 302.418 2.342 10 0 DEAELP CC(=O)c1ccccc1OCC[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631885961 368441353 /nfs/dbraw/zinc/44/13/53/368441353.db2.gz FNGPTPTWLUPKOV-RDJZCZTQSA-N 2 2 302.418 2.342 10 0 DEAELP Brc1cnccc1C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631888997 368445813 /nfs/dbraw/zinc/44/58/13/368445813.db2.gz BATKFRNEJYFVBK-RISCZKNCSA-N 2 2 310.239 2.418 10 0 DEAELP Brc1cnccc1C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631888997 368445817 /nfs/dbraw/zinc/44/58/17/368445817.db2.gz BATKFRNEJYFVBK-RISCZKNCSA-N 2 2 310.239 2.418 10 0 DEAELP Cc1cc(C)c(C(N)=S)c(N2CC[N@@H+]3CCCC[C@@H]3C2)[nH+]1 ZINC000094440027 193369661 /nfs/dbraw/zinc/36/96/61/193369661.db2.gz JMDNOUIQHWNKRK-CYBMUJFWSA-N 2 2 304.463 2.007 10 0 DEAELP Cc1cc(C)c(C(N)=S)c(N2CC[N@H+]3CCCC[C@@H]3C2)[nH+]1 ZINC000094440027 193369662 /nfs/dbraw/zinc/36/96/62/193369662.db2.gz JMDNOUIQHWNKRK-CYBMUJFWSA-N 2 2 304.463 2.007 10 0 DEAELP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530219031 284376344 /nfs/dbraw/zinc/37/63/44/284376344.db2.gz YPIWWLNTERGWRT-RYQLBKOJSA-N 3 2 313.445 2.117 10 0 DEAELP CC[C@H]([NH3+])[C@@H](c1sccc1C)[NH+]1CCC(CC(N)=O)CC1 ZINC000043248752 183347097 /nfs/dbraw/zinc/34/70/97/183347097.db2.gz MGTYBGLRYSDMCE-ZFWWWQNUSA-N 2 2 309.479 2.422 10 0 DEAELP CC[NH+](CC)CCCNc1[nH+]c2c(cc1C(N)=S)CCC2 ZINC000043408343 183359534 /nfs/dbraw/zinc/35/95/34/183359534.db2.gz LWDGMFOEIFOYHV-UHFFFAOYSA-N 2 2 306.479 2.348 10 0 DEAELP CC[NH2+]CC1(C[NH+]2CCN(c3nccs3)CC2)CCCC1 ZINC000051212202 183820231 /nfs/dbraw/zinc/82/02/31/183820231.db2.gz PPGLQCCFUQLTPE-UHFFFAOYSA-N 2 2 308.495 2.435 10 0 DEAELP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](Cc2ccccc2F)CC1 ZINC000109753548 194282877 /nfs/dbraw/zinc/28/28/77/194282877.db2.gz STNZIRGLEPVDLZ-KRWDZBQOSA-N 2 2 305.441 2.428 10 0 DEAELP C[N@H+]1CCCC[C@H]1CN1CC[NH+](Cc2ccccc2F)CC1 ZINC000109753548 194282880 /nfs/dbraw/zinc/28/28/80/194282880.db2.gz STNZIRGLEPVDLZ-KRWDZBQOSA-N 2 2 305.441 2.428 10 0 DEAELP CCC[NH2+][C@H]1CCC[C@@H]1C[NH+]1CCN(CC(F)(F)F)CC1 ZINC000061947633 184197976 /nfs/dbraw/zinc/19/79/76/184197976.db2.gz URAGABNBBWAPOK-KGLIPLIRSA-N 2 2 307.404 2.335 10 0 DEAELP Cc1nc(N2CCn3cc[nH+]c3C2)sc1C[NH2+]CC(C)C ZINC000062328092 184230907 /nfs/dbraw/zinc/23/09/07/184230907.db2.gz LAHVPQIAFGJVHB-UHFFFAOYSA-N 2 2 305.451 2.414 10 0 DEAELP CNc1cc(N2C[C@H]3CCCC[N@H+]3C[C@@H]2C)nc(SC)[nH+]1 ZINC000157388933 197183662 /nfs/dbraw/zinc/18/36/62/197183662.db2.gz CJVSQWSBLYJLCD-NWDGAFQWSA-N 2 2 307.467 2.303 10 0 DEAELP CCN(C(=O)[C@H](C)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)C1CCCCC1 ZINC000193610207 145088081 /nfs/dbraw/zinc/08/80/81/145088081.db2.gz RJJBTGWXZLVGKY-HRCADAONSA-N 2 2 307.482 2.050 10 0 DEAELP CCN(C(=O)[C@H](C)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)C1CCCCC1 ZINC000193610207 145088083 /nfs/dbraw/zinc/08/80/83/145088083.db2.gz RJJBTGWXZLVGKY-HRCADAONSA-N 2 2 307.482 2.050 10 0 DEAELP CCN(C(=O)[C@H](C)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1)C1CCCCC1 ZINC000193610207 145088086 /nfs/dbraw/zinc/08/80/86/145088086.db2.gz RJJBTGWXZLVGKY-HRCADAONSA-N 2 2 307.482 2.050 10 0 DEAELP CCN(C(=O)[C@H](C)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1)C1CCCCC1 ZINC000193610207 145088088 /nfs/dbraw/zinc/08/80/88/145088088.db2.gz RJJBTGWXZLVGKY-HRCADAONSA-N 2 2 307.482 2.050 10 0 DEAELP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH2+][C@H]3CCSC3)C2)cc1 ZINC000253335903 145201635 /nfs/dbraw/zinc/20/16/35/145201635.db2.gz AXHVUPOEWIHRSD-IRXDYDNUSA-N 2 2 306.475 2.373 10 0 DEAELP c1ccc(C[N@H+]2CCCO[C@@H](C[NH2+][C@H]3CCSC3)C2)cc1 ZINC000253335903 145201637 /nfs/dbraw/zinc/20/16/37/145201637.db2.gz AXHVUPOEWIHRSD-IRXDYDNUSA-N 2 2 306.475 2.373 10 0 DEAELP C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261715603 145219805 /nfs/dbraw/zinc/21/98/05/145219805.db2.gz MWCLLKUPUMEGMG-BBRMVZONSA-N 2 2 321.440 2.232 10 0 DEAELP C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261715603 145219806 /nfs/dbraw/zinc/21/98/06/145219806.db2.gz MWCLLKUPUMEGMG-BBRMVZONSA-N 2 2 321.440 2.232 10 0 DEAELP COc1ccc(OC)c([C@H](C)[NH2+][C@@H](C)C[C@H]2COCC[NH2+]2)c1 ZINC000261822036 145230178 /nfs/dbraw/zinc/23/01/78/145230178.db2.gz ASAQAJBUKBMMNN-IHRRRGAJSA-N 2 2 308.422 2.121 10 0 DEAELP Cc1ccc2[nH+]c(CN3CC[NH2+]C[C@@H]3c3cccnc3)cn2c1 ZINC000261821697 145230566 /nfs/dbraw/zinc/23/05/66/145230566.db2.gz SHAKYTRNEHNMMM-QGZVFWFLSA-N 2 2 307.401 2.184 10 0 DEAELP C[C@@H](C(=O)N1CCc2ccccc21)[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261850184 145233294 /nfs/dbraw/zinc/23/32/94/145233294.db2.gz RLGWEPXXEYJIMH-XJKSGUPXSA-N 2 2 301.434 2.023 10 0 DEAELP C[C@@H](C(=O)N1CCc2ccccc21)[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261850184 145233296 /nfs/dbraw/zinc/23/32/96/145233296.db2.gz RLGWEPXXEYJIMH-XJKSGUPXSA-N 2 2 301.434 2.023 10 0 DEAELP CC1(C)C[N@H+](CC(=O)N2CCCc3ccccc32)CC[C@H]1[NH3+] ZINC000262413947 145281893 /nfs/dbraw/zinc/28/18/93/145281893.db2.gz DJJOOXKGQUVYDS-MRXNPFEDSA-N 2 2 301.434 2.025 10 0 DEAELP CC1(C)C[N@@H+](CC(=O)N2CCCc3ccccc32)CC[C@H]1[NH3+] ZINC000262413947 145281895 /nfs/dbraw/zinc/28/18/95/145281895.db2.gz DJJOOXKGQUVYDS-MRXNPFEDSA-N 2 2 301.434 2.025 10 0 DEAELP C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000262518947 145290100 /nfs/dbraw/zinc/29/01/00/145290100.db2.gz NWQPFCDFRQAABU-GOEBONIOSA-N 2 2 303.450 2.265 10 0 DEAELP C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000262518947 145290104 /nfs/dbraw/zinc/29/01/04/145290104.db2.gz NWQPFCDFRQAABU-GOEBONIOSA-N 2 2 303.450 2.265 10 0 DEAELP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(-c2ccccc2)cc1F ZINC000263223034 145337873 /nfs/dbraw/zinc/33/78/73/145337873.db2.gz MFAMYEGCZQZLFR-AEFFLSMTSA-N 2 2 300.377 2.163 10 0 DEAELP C[C@@]1([NH3+])CCCC[C@H]1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000263228081 145338668 /nfs/dbraw/zinc/33/86/68/145338668.db2.gz NBMFXVXAPCBBHF-MAUKXSAKSA-N 2 2 316.449 2.074 10 0 DEAELP CC[NH+](CC)CC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000075262720 401756433 /nfs/dbraw/zinc/75/64/33/401756433.db2.gz QNUOWSWOADIWCE-AWEZNQCLSA-N 2 2 300.406 2.391 10 0 DEAELP C[C@@H](c1nc(-c2cccnc2)no1)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113516267 401781823 /nfs/dbraw/zinc/78/18/23/401781823.db2.gz HMRZKIYPHVCYDB-QWHCGFSZSA-N 2 2 301.394 2.076 10 0 DEAELP C[C@@H](c1nc(-c2cccnc2)no1)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113516267 401781824 /nfs/dbraw/zinc/78/18/24/401781824.db2.gz HMRZKIYPHVCYDB-QWHCGFSZSA-N 2 2 301.394 2.076 10 0 DEAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1nc2ccccc2n1C ZINC000091318954 401996289 /nfs/dbraw/zinc/99/62/89/401996289.db2.gz MVIZEKFTCVPOCF-GJZGRUSLSA-N 2 2 316.449 2.335 10 0 DEAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1nc2ccccc2n1C ZINC000091318954 401996290 /nfs/dbraw/zinc/99/62/90/401996290.db2.gz MVIZEKFTCVPOCF-GJZGRUSLSA-N 2 2 316.449 2.335 10 0 DEAELP CCCCCNC(=O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000151103461 402016352 /nfs/dbraw/zinc/01/63/52/402016352.db2.gz ZYDGBPNFOWUBOF-HNNXBMFYSA-N 2 2 304.438 2.122 10 0 DEAELP CCCCCNC(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000151103461 402016355 /nfs/dbraw/zinc/01/63/55/402016355.db2.gz ZYDGBPNFOWUBOF-HNNXBMFYSA-N 2 2 304.438 2.122 10 0 DEAELP CN(C)C(=O)c1cccc(C[NH+]2CCC([NH+]3CCCC3)CC2)c1 ZINC000052441608 402042353 /nfs/dbraw/zinc/04/23/53/402042353.db2.gz CIRFXFXKMXUZIQ-UHFFFAOYSA-N 2 2 315.461 2.449 10 0 DEAELP COc1ccc(C)cc1NC(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123423883 402127171 /nfs/dbraw/zinc/12/71/71/402127171.db2.gz BRLJHNIURDKWOB-CABCVRRESA-N 2 2 319.449 2.357 10 0 DEAELP COc1ccc(C)cc1NC(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123423883 402127173 /nfs/dbraw/zinc/12/71/73/402127173.db2.gz BRLJHNIURDKWOB-CABCVRRESA-N 2 2 319.449 2.357 10 0 DEAELP COc1ccc(C)cc1NC(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123423883 402127175 /nfs/dbraw/zinc/12/71/75/402127175.db2.gz BRLJHNIURDKWOB-CABCVRRESA-N 2 2 319.449 2.357 10 0 DEAELP COc1ccc(C)cc1NC(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123423883 402127176 /nfs/dbraw/zinc/12/71/76/402127176.db2.gz BRLJHNIURDKWOB-CABCVRRESA-N 2 2 319.449 2.357 10 0 DEAELP C[C@@H]1C[C@H]([NH+](C)CC(=O)NCCC2=CCCCC2)CC[N@@H+]1C ZINC000123338736 402122922 /nfs/dbraw/zinc/12/29/22/402122922.db2.gz WKEDNVSNIGFAAN-NVXWUHKLSA-N 2 2 307.482 2.408 10 0 DEAELP C[C@@H]1C[C@H]([NH+](C)CC(=O)NCCC2=CCCCC2)CC[N@H+]1C ZINC000123338736 402122925 /nfs/dbraw/zinc/12/29/25/402122925.db2.gz WKEDNVSNIGFAAN-NVXWUHKLSA-N 2 2 307.482 2.408 10 0 DEAELP C[C@@H]1C[C@H]([N@H+](C)CC(=O)NCCC2=CCCCC2)CC[NH+]1C ZINC000123338736 402122927 /nfs/dbraw/zinc/12/29/27/402122927.db2.gz WKEDNVSNIGFAAN-NVXWUHKLSA-N 2 2 307.482 2.408 10 0 DEAELP C[C@@H]1C[C@H]([N@@H+](C)CC(=O)NCCC2=CCCCC2)CC[NH+]1C ZINC000123338736 402122930 /nfs/dbraw/zinc/12/29/30/402122930.db2.gz WKEDNVSNIGFAAN-NVXWUHKLSA-N 2 2 307.482 2.408 10 0 DEAELP CCOc1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cc1CO ZINC000067982710 402181683 /nfs/dbraw/zinc/18/16/83/402181683.db2.gz IWTOVBUEOMREPM-LJQANCHMSA-N 2 2 318.461 2.495 10 0 DEAELP CCOc1ccc(C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cc1CO ZINC000067982710 402181684 /nfs/dbraw/zinc/18/16/84/402181684.db2.gz IWTOVBUEOMREPM-LJQANCHMSA-N 2 2 318.461 2.495 10 0 DEAELP CCOc1ccc(C[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)cc1CO ZINC000067982710 402181686 /nfs/dbraw/zinc/18/16/86/402181686.db2.gz IWTOVBUEOMREPM-LJQANCHMSA-N 2 2 318.461 2.495 10 0 DEAELP CCOc1ccc(C[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)cc1CO ZINC000067982710 402181688 /nfs/dbraw/zinc/18/16/88/402181688.db2.gz IWTOVBUEOMREPM-LJQANCHMSA-N 2 2 318.461 2.495 10 0 DEAELP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1cnccn1 ZINC000126198703 402268815 /nfs/dbraw/zinc/26/88/15/402268815.db2.gz YSNRKOGUUCXRPV-VYDXJSESSA-N 2 2 311.433 2.433 10 0 DEAELP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1cnccn1 ZINC000126198703 402268816 /nfs/dbraw/zinc/26/88/16/402268816.db2.gz YSNRKOGUUCXRPV-VYDXJSESSA-N 2 2 311.433 2.433 10 0 DEAELP CC(C)C[C@@H](C)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000185544401 402360187 /nfs/dbraw/zinc/36/01/87/402360187.db2.gz NOBDLZMABKDDOS-HRBLRVMOSA-N 2 2 321.509 2.438 10 0 DEAELP CC(C)C[C@@H](C)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000185544401 402360190 /nfs/dbraw/zinc/36/01/90/402360190.db2.gz NOBDLZMABKDDOS-HRBLRVMOSA-N 2 2 321.509 2.438 10 0 DEAELP CCO[C@H]1C[C@H]([NH2+]Cc2cccc3[nH+]ccn32)C12CCOCC2 ZINC000185670477 402368010 /nfs/dbraw/zinc/36/80/10/402368010.db2.gz CSLFGWRXXMDSSV-HOTGVXAUSA-N 2 2 315.417 2.398 10 0 DEAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cccc(NC(C)=O)c1 ZINC000163263752 402445877 /nfs/dbraw/zinc/44/58/77/402445877.db2.gz DDVJYPKNQZBVKO-KBXCAEBGSA-N 2 2 319.449 2.406 10 0 DEAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cccc(NC(C)=O)c1 ZINC000163263752 402445878 /nfs/dbraw/zinc/44/58/78/402445878.db2.gz DDVJYPKNQZBVKO-KBXCAEBGSA-N 2 2 319.449 2.406 10 0 DEAELP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1nccn1C ZINC000246078896 402507663 /nfs/dbraw/zinc/50/76/63/402507663.db2.gz UQEYEYZFTTVHQV-HLLBOEOZSA-N 2 2 313.449 2.376 10 0 DEAELP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1nccn1C ZINC000246078896 402507665 /nfs/dbraw/zinc/50/76/65/402507665.db2.gz UQEYEYZFTTVHQV-HLLBOEOZSA-N 2 2 313.449 2.376 10 0 DEAELP COC(=O)c1coc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000171037659 402551553 /nfs/dbraw/zinc/55/15/53/402551553.db2.gz ADAHQJCTVRCNTQ-CYBMUJFWSA-N 2 2 315.373 2.395 10 0 DEAELP COC(=O)c1coc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000171037659 402551556 /nfs/dbraw/zinc/55/15/56/402551556.db2.gz ADAHQJCTVRCNTQ-CYBMUJFWSA-N 2 2 315.373 2.395 10 0 DEAELP CC[C@@H](C)NC(=O)C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189893272 402565052 /nfs/dbraw/zinc/56/50/52/402565052.db2.gz BYLQKASTBASOEK-ZIAGYGMSSA-N 2 2 300.406 2.438 10 0 DEAELP C[C@@H]1CCC[C@](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)([NH+](C)C)C1 ZINC000262036110 402721356 /nfs/dbraw/zinc/72/13/56/402721356.db2.gz XZIYLHPUWQFALW-ZRSRNVLSSA-N 3 2 323.525 2.244 10 0 DEAELP C[NH+]1CCN([C@H]2CCCC[N@H+](Cc3cccc(Cl)n3)C2)CC1 ZINC000182909682 402726414 /nfs/dbraw/zinc/72/64/14/402726414.db2.gz ZPDORLPDECUTIJ-INIZCTEOSA-N 2 2 322.884 2.337 10 0 DEAELP C[NH+]1CCN([C@H]2CCCC[N@@H+](Cc3cccc(Cl)n3)C2)CC1 ZINC000182909682 402726415 /nfs/dbraw/zinc/72/64/15/402726415.db2.gz ZPDORLPDECUTIJ-INIZCTEOSA-N 2 2 322.884 2.337 10 0 DEAELP C[C@@H](C(=O)NCc1ccc[nH+]c1N(C)C)[NH+]1[C@H](C)CC[C@H]1C ZINC000194666195 402809272 /nfs/dbraw/zinc/80/92/72/402809272.db2.gz XYJPIEUFHKLRFM-MCIONIFRSA-N 2 2 304.438 2.025 10 0 DEAELP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)C[NH+]2CCCCC2)C12CCOCC2 ZINC000186238844 286394811 /nfs/dbraw/zinc/39/48/11/286394811.db2.gz MIXZKBDEMMHFQC-YESZJQIVSA-N 2 2 310.482 2.425 10 0 DEAELP Cc1nc(N2CC[NH+](Cc3ccc(-c4cc[nH]n4)o3)CC2)cc[nH+]1 ZINC000434988479 404948017 /nfs/dbraw/zinc/94/80/17/404948017.db2.gz SOKYIEBWGSYKMU-UHFFFAOYSA-N 2 2 324.388 2.090 10 0 DEAELP C[C@H]([NH2+]C[C@H](C1CC1)[N@H+](C)Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000423060821 405697399 /nfs/dbraw/zinc/69/73/99/405697399.db2.gz JBKMMODPVROYLZ-ZYSHUDEJSA-N 3 2 301.478 2.485 10 0 DEAELP C[C@H]([NH2+]C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000423060821 405697411 /nfs/dbraw/zinc/69/74/11/405697411.db2.gz JBKMMODPVROYLZ-ZYSHUDEJSA-N 3 2 301.478 2.485 10 0 DEAELP COc1cccc2c1cc[nH+]c2N1CCO[C@@H](C[NH+](C)C)C1 ZINC000450321929 405833300 /nfs/dbraw/zinc/83/33/00/405833300.db2.gz WCBCFJYHOKJAIB-ZDUSSCGKSA-N 2 2 301.390 2.010 10 0 DEAELP c1cc(C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)sn1 ZINC000638304049 406686904 /nfs/dbraw/zinc/68/69/04/406686904.db2.gz BBHILWANZUAXOP-UHFFFAOYSA-N 2 2 303.431 2.265 10 0 DEAELP C[C@@H]([NH2+]Cc1cocn1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000192308123 287042175 /nfs/dbraw/zinc/04/21/75/287042175.db2.gz DKWWXGKRPHAQKZ-CYBMUJFWSA-N 2 2 318.396 2.416 10 0 DEAELP CNc1nc(NCC[NH+]2CCCCC2)c(Br)c[nH+]1 ZINC000131256999 196154535 /nfs/dbraw/zinc/15/45/35/196154535.db2.gz HXQNLWOXKIUDJV-UHFFFAOYSA-N 2 2 314.231 2.179 10 0 DEAELP CC[C@H](CCO)[NH2+][C@@H](C[NH3+])c1ccc(F)c(Br)c1 ZINC000134373169 196382932 /nfs/dbraw/zinc/38/29/32/196382932.db2.gz RWFICLKHSOFOIS-MFKMUULPSA-N 2 2 319.218 2.339 10 0 DEAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCc2c(cccc2OC)C1 ZINC000192441606 225134600 /nfs/dbraw/zinc/13/46/00/225134600.db2.gz SFBONCFMPNAUQR-IAGOWNOFSA-N 2 2 318.461 2.253 10 0 DEAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCc2c(cccc2OC)C1 ZINC000192441606 225134606 /nfs/dbraw/zinc/13/46/06/225134606.db2.gz SFBONCFMPNAUQR-IAGOWNOFSA-N 2 2 318.461 2.253 10 0 DEAELP Cn1cc(C[N@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)cn1 ZINC000261751675 225255116 /nfs/dbraw/zinc/25/51/16/225255116.db2.gz LFUXOIHGRLPANF-AWEZNQCLSA-N 2 2 317.462 2.021 10 0 DEAELP Cn1cc(C[N@@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)cn1 ZINC000261751675 225255119 /nfs/dbraw/zinc/25/51/19/225255119.db2.gz LFUXOIHGRLPANF-AWEZNQCLSA-N 2 2 317.462 2.021 10 0 DEAELP Cc1noc(CCC[N@@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)n1 ZINC000299753882 229399478 /nfs/dbraw/zinc/39/94/78/229399478.db2.gz ZQPKDDKSWGWRML-CQSZACIVSA-N 2 2 315.421 2.333 10 0 DEAELP Cc1noc(CCC[N@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)n1 ZINC000299753882 229399482 /nfs/dbraw/zinc/39/94/82/229399482.db2.gz ZQPKDDKSWGWRML-CQSZACIVSA-N 2 2 315.421 2.333 10 0 DEAELP Cn1cc[nH+]c1CC1CC[NH+](Cc2nc(C3CC3)no2)CC1 ZINC000105876437 424849310 /nfs/dbraw/zinc/84/93/10/424849310.db2.gz PLZFVUKHKYLIBG-UHFFFAOYSA-N 2 2 301.394 2.135 10 0 DEAELP Cc1ccc(OC[C@@H](O)C[NH+]2CCC([NH+](C)C)CC2)c(C)c1 ZINC000193811721 424871627 /nfs/dbraw/zinc/87/16/27/424871627.db2.gz QZGSJZKXVQGODQ-KRWDZBQOSA-N 2 2 306.450 2.069 10 0 DEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(OC)cc2)[C@H](C)C1 ZINC000081094747 267379235 /nfs/dbraw/zinc/37/92/35/267379235.db2.gz AHNABWBNEGNJAD-PBHICJAKSA-N 2 2 319.449 2.296 10 0 DEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(OC)cc2)[C@H](C)C1 ZINC000081094747 267379237 /nfs/dbraw/zinc/37/92/37/267379237.db2.gz AHNABWBNEGNJAD-PBHICJAKSA-N 2 2 319.449 2.296 10 0 DEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2ccc(OC)cc2)[C@H](C)C1 ZINC000081094747 267379241 /nfs/dbraw/zinc/37/92/41/267379241.db2.gz AHNABWBNEGNJAD-PBHICJAKSA-N 2 2 319.449 2.296 10 0 DEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc(OC)cc2)[C@H](C)C1 ZINC000081094747 267379244 /nfs/dbraw/zinc/37/92/44/267379244.db2.gz AHNABWBNEGNJAD-PBHICJAKSA-N 2 2 319.449 2.296 10 0 DEAELP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](C)C[NH+]2CCOCC2)C12CCCC2 ZINC000181782322 279815982 /nfs/dbraw/zinc/81/59/82/279815982.db2.gz XFZALGYTIBAMEF-BRWVUGGUSA-N 2 2 310.482 2.282 10 0 DEAELP CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c2ccccc2C1 ZINC000575371643 326236527 /nfs/dbraw/zinc/23/65/27/326236527.db2.gz UGAJMPCJDKWPHN-NVXWUHKLSA-N 2 2 324.428 2.350 10 0 DEAELP CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)c2ccccc2C1 ZINC000575371643 326236529 /nfs/dbraw/zinc/23/65/29/326236529.db2.gz UGAJMPCJDKWPHN-NVXWUHKLSA-N 2 2 324.428 2.350 10 0 DEAELP CC1(C)C[N@H+](CC(=O)NCc2cccc(Cl)c2)CC[C@H]1[NH3+] ZINC000261790864 535352542 /nfs/dbraw/zinc/35/25/42/535352542.db2.gz NPVIWRAUSUDCAS-CQSZACIVSA-N 2 2 309.841 2.015 10 0 DEAELP c1cc(C[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)co1 ZINC000727468292 637958865 /nfs/dbraw/zinc/95/88/65/637958865.db2.gz LAWPKMZKWFQMPX-UHFFFAOYSA-N 2 2 316.401 2.280 10 0 DEAELP Cc1cc(C)cc([C@H](O)C[NH+]2CCC([N@H+](C)CCCO)CC2)c1 ZINC000173754499 646778389 /nfs/dbraw/zinc/77/83/89/646778389.db2.gz NIAWMTKIKZNXRZ-LJQANCHMSA-N 2 2 320.477 2.115 10 0 DEAELP Cc1cc(C)cc([C@H](O)C[NH+]2CCC([N@@H+](C)CCCO)CC2)c1 ZINC000173754499 646778390 /nfs/dbraw/zinc/77/83/90/646778390.db2.gz NIAWMTKIKZNXRZ-LJQANCHMSA-N 2 2 320.477 2.115 10 0 DEAELP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(C(F)(F)F)s1 ZINC000717981593 1081854590 /nfs/dbraw/zinc/85/45/90/1081854590.db2.gz GBGAPEYOSLTWSM-JOYOIKCWSA-N 2 2 308.369 2.484 10 0 DEAELP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(C(F)(F)F)s1 ZINC000717981593 1081854594 /nfs/dbraw/zinc/85/45/94/1081854594.db2.gz GBGAPEYOSLTWSM-JOYOIKCWSA-N 2 2 308.369 2.484 10 0 DEAELP Nc1[nH+]c2ccc(Br)cc2n1CCn1cc[nH+]c1 ZINC000087837032 185232999 /nfs/dbraw/zinc/23/29/99/185232999.db2.gz NGBDMPRHTHYSIJ-UHFFFAOYSA-N 2 2 306.167 2.278 10 0 DEAELP CCN(C(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1)c1ccccc1 ZINC000173525339 282191339 /nfs/dbraw/zinc/19/13/39/282191339.db2.gz MLQDKDWIIRHWCG-WBVHZDCISA-N 2 2 303.450 2.454 10 0 DEAELP CCN(C(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1)c1ccccc1 ZINC000173525339 282191344 /nfs/dbraw/zinc/19/13/44/282191344.db2.gz MLQDKDWIIRHWCG-WBVHZDCISA-N 2 2 303.450 2.454 10 0 DEAELP CCN(C(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000173525339 282191347 /nfs/dbraw/zinc/19/13/47/282191347.db2.gz MLQDKDWIIRHWCG-WBVHZDCISA-N 2 2 303.450 2.454 10 0 DEAELP CCN(C(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000173525339 282191349 /nfs/dbraw/zinc/19/13/49/282191349.db2.gz MLQDKDWIIRHWCG-WBVHZDCISA-N 2 2 303.450 2.454 10 0 DEAELP CCn1cc[nH+]c1CN1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190471051 529569614 /nfs/dbraw/zinc/56/96/14/529569614.db2.gz OCENMCMEKXKHBP-QGZVFWFLSA-N 2 2 313.449 2.252 10 0 DEAELP CCn1cc[nH+]c1CN1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000190471051 529569616 /nfs/dbraw/zinc/56/96/16/529569616.db2.gz OCENMCMEKXKHBP-QGZVFWFLSA-N 2 2 313.449 2.252 10 0 DEAELP C[C@H](C(=O)Nc1ccccc1C[NH3+])[N@H+](C)CCC(F)(F)F ZINC000088417637 185249321 /nfs/dbraw/zinc/24/93/21/185249321.db2.gz GXLMTEVNDLYPMJ-SNVBAGLBSA-N 2 2 303.328 2.357 10 0 DEAELP C[C@H](C(=O)Nc1ccccc1C[NH3+])[N@@H+](C)CCC(F)(F)F ZINC000088417637 185249322 /nfs/dbraw/zinc/24/93/22/185249322.db2.gz GXLMTEVNDLYPMJ-SNVBAGLBSA-N 2 2 303.328 2.357 10 0 DEAELP CC(C)[NH2+][C@](CO)(C[N@@H+]1CCC[C@H](C(F)(F)F)C1)C1CC1 ZINC000088439610 185250858 /nfs/dbraw/zinc/25/08/58/185250858.db2.gz HCIOKSDPKYGUMT-KBPBESRZSA-N 2 2 308.388 2.400 10 0 DEAELP CC(C)[NH2+][C@](CO)(C[N@H+]1CCC[C@H](C(F)(F)F)C1)C1CC1 ZINC000088439610 185250859 /nfs/dbraw/zinc/25/08/59/185250859.db2.gz HCIOKSDPKYGUMT-KBPBESRZSA-N 2 2 308.388 2.400 10 0 DEAELP Clc1cc(Cl)cc(C[NH+]2CCN(C3C[NH2+]C3)CC2)c1 ZINC000090306461 185290255 /nfs/dbraw/zinc/29/02/55/185290255.db2.gz ILXBHLBNGBCWPH-UHFFFAOYSA-N 2 2 300.233 2.083 10 0 DEAELP C[NH2+][C@H]1COC[C@H]1C[N@H+](C)Cc1csc(Br)c1 ZINC000090438872 185296497 /nfs/dbraw/zinc/29/64/97/185296497.db2.gz SKUHFFIWKCZFGR-MNOVXSKESA-N 2 2 319.268 2.177 10 0 DEAELP C[NH2+][C@H]1COC[C@H]1C[N@@H+](C)Cc1csc(Br)c1 ZINC000090438872 185296498 /nfs/dbraw/zinc/29/64/98/185296498.db2.gz SKUHFFIWKCZFGR-MNOVXSKESA-N 2 2 319.268 2.177 10 0 DEAELP CC[NH+](CC)CC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000189418434 282309101 /nfs/dbraw/zinc/30/91/01/282309101.db2.gz BYKZTRLUGPVDLT-UHFFFAOYSA-N 2 2 323.868 2.156 10 0 DEAELP CC[NH+](CC)CC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000189418434 282309104 /nfs/dbraw/zinc/30/91/04/282309104.db2.gz BYKZTRLUGPVDLT-UHFFFAOYSA-N 2 2 323.868 2.156 10 0 DEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N2[C@H](C)CCC[C@H]2C)[C@H](C)C1 ZINC000245428444 282387137 /nfs/dbraw/zinc/38/71/37/282387137.db2.gz MOEAAKFUJFAJCX-VQHPVUNQSA-N 2 2 309.498 2.438 10 0 DEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N2[C@H](C)CCC[C@H]2C)[C@H](C)C1 ZINC000245428444 282387139 /nfs/dbraw/zinc/38/71/39/282387139.db2.gz MOEAAKFUJFAJCX-VQHPVUNQSA-N 2 2 309.498 2.438 10 0 DEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N2[C@H](C)CCC[C@H]2C)[C@H](C)C1 ZINC000245428444 282387140 /nfs/dbraw/zinc/38/71/40/282387140.db2.gz MOEAAKFUJFAJCX-VQHPVUNQSA-N 2 2 309.498 2.438 10 0 DEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N2[C@H](C)CCC[C@H]2C)[C@H](C)C1 ZINC000245428444 282387141 /nfs/dbraw/zinc/38/71/41/282387141.db2.gz MOEAAKFUJFAJCX-VQHPVUNQSA-N 2 2 309.498 2.438 10 0 DEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccccc2OC)[C@@H](C)C1 ZINC000245433822 282388052 /nfs/dbraw/zinc/38/80/52/282388052.db2.gz PLJPXVFHZFIVPO-HOCLYGCPSA-N 2 2 319.449 2.296 10 0 DEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccccc2OC)[C@@H](C)C1 ZINC000245433822 282388053 /nfs/dbraw/zinc/38/80/53/282388053.db2.gz PLJPXVFHZFIVPO-HOCLYGCPSA-N 2 2 319.449 2.296 10 0 DEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2ccccc2OC)[C@@H](C)C1 ZINC000245433822 282388054 /nfs/dbraw/zinc/38/80/54/282388054.db2.gz PLJPXVFHZFIVPO-HOCLYGCPSA-N 2 2 319.449 2.296 10 0 DEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccccc2OC)[C@@H](C)C1 ZINC000245433822 282388056 /nfs/dbraw/zinc/38/80/56/282388056.db2.gz PLJPXVFHZFIVPO-HOCLYGCPSA-N 2 2 319.449 2.296 10 0 DEAELP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC000162458749 539597323 /nfs/dbraw/zinc/59/73/23/539597323.db2.gz BURWDFXSGOAFBA-DZGCQCFKSA-N 2 2 320.481 2.450 10 0 DEAELP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC000162458749 539597327 /nfs/dbraw/zinc/59/73/27/539597327.db2.gz BURWDFXSGOAFBA-DZGCQCFKSA-N 2 2 320.481 2.450 10 0 DEAELP [NH3+]C[C@@H]([NH2+]C[C@@H]1CCCO1)c1ccc(Br)s1 ZINC000083774171 192383287 /nfs/dbraw/zinc/38/32/87/192383287.db2.gz KMQFJYVDTSCPCA-DTWKUNHWSA-N 2 2 305.241 2.279 10 0 DEAELP COc1ccc([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)cc1OC ZINC000173345815 186178986 /nfs/dbraw/zinc/17/89/86/186178986.db2.gz UGCBUXUDWCQYJT-GOEBONIOSA-N 2 2 322.449 2.201 10 0 DEAELP Cn1ncc2c1nc[nH+]c2NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000172278975 198069868 /nfs/dbraw/zinc/06/98/68/198069868.db2.gz LNNZLMNEFIHOOI-UHFFFAOYSA-N 2 2 314.368 2.176 10 0 DEAELP Cc1nn(C)c(Cl)c1C[N@H+](C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000328655434 356466803 /nfs/dbraw/zinc/46/68/03/356466803.db2.gz YKKOFDLJMSWSPB-GFCCVEGCSA-N 2 2 307.829 2.273 10 0 DEAELP Cc1nn(C)c(Cl)c1C[N@@H+](C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000328655434 356466806 /nfs/dbraw/zinc/46/68/06/356466806.db2.gz YKKOFDLJMSWSPB-GFCCVEGCSA-N 2 2 307.829 2.273 10 0 DEAELP Cc1nc(C[C@@H]2CCC[N@H+](Cc3cccc4[nH+]ccn43)C2)no1 ZINC000179999629 199104980 /nfs/dbraw/zinc/10/49/80/199104980.db2.gz ZRSLSESPFKHZFR-AWEZNQCLSA-N 2 2 311.389 2.480 10 0 DEAELP Cc1nc(C[C@@H]2CCC[N@@H+](Cc3cccc4[nH+]ccn43)C2)no1 ZINC000179999629 199104982 /nfs/dbraw/zinc/10/49/82/199104982.db2.gz ZRSLSESPFKHZFR-AWEZNQCLSA-N 2 2 311.389 2.480 10 0 DEAELP O=C(Nc1ccc2[nH+]ccn2c1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000606580303 361021445 /nfs/dbraw/zinc/02/14/45/361021445.db2.gz IWUOHCUFSZSNET-CQSZACIVSA-N 2 2 310.361 2.400 10 0 DEAELP C[NH+](C)[C@H](CNC(=O)Nc1ccc2[nH+]ccn2c1)c1ccco1 ZINC000606581396 361022966 /nfs/dbraw/zinc/02/29/66/361022966.db2.gz BPNIVNMFPYKJFN-CYBMUJFWSA-N 2 2 313.361 2.352 10 0 DEAELP Cn1c[nH+]cc1[C@@H]1C[C@H]([NH2+]Cc2cccc3c2OCO3)CCO1 ZINC000275399913 212309603 /nfs/dbraw/zinc/30/96/03/212309603.db2.gz CLEHTMPPIBJAKN-CJNGLKHVSA-N 2 2 315.373 2.159 10 0 DEAELP C[N@H+](CC1CC(O)C1)[C@H](C[NH3+])c1cc(Br)cs1 ZINC000091450817 193057838 /nfs/dbraw/zinc/05/78/38/193057838.db2.gz HVIJZDSYGXNBHD-BOBPJJCASA-N 2 2 319.268 2.213 10 0 DEAELP C[N@@H+](CC1CC(O)C1)[C@H](C[NH3+])c1cc(Br)cs1 ZINC000091450817 193057840 /nfs/dbraw/zinc/05/78/40/193057840.db2.gz HVIJZDSYGXNBHD-BOBPJJCASA-N 2 2 319.268 2.213 10 0 DEAELP Cc1cc(C)c(C(N)=S)c(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)[nH+]1 ZINC000092005319 193140676 /nfs/dbraw/zinc/14/06/76/193140676.db2.gz WDXQHYUFDNBTEP-OLZOCXBDSA-N 2 2 304.463 2.006 10 0 DEAELP Cc1cc(C)c(C(N)=S)c(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)[nH+]1 ZINC000092005319 193140678 /nfs/dbraw/zinc/14/06/78/193140678.db2.gz WDXQHYUFDNBTEP-OLZOCXBDSA-N 2 2 304.463 2.006 10 0 DEAELP C[NH2+]CCOCC[N@H+](C)Cc1sccc1Br ZINC000629570658 367257054 /nfs/dbraw/zinc/25/70/54/367257054.db2.gz FRTPMZPKUSVQBF-UHFFFAOYSA-N 2 2 307.257 2.178 10 0 DEAELP C[NH2+]CCOCC[N@@H+](C)Cc1sccc1Br ZINC000629570658 367257059 /nfs/dbraw/zinc/25/70/59/367257059.db2.gz FRTPMZPKUSVQBF-UHFFFAOYSA-N 2 2 307.257 2.178 10 0 DEAELP C[N@H+](CC(=O)N1CCC[C@@H]1c1cccs1)CC(C)(C)C[NH3+] ZINC000093874360 193322424 /nfs/dbraw/zinc/32/24/24/193322424.db2.gz HYGAXTWYXHPOFM-CYBMUJFWSA-N 2 2 309.479 2.328 10 0 DEAELP C[N@@H+](CC(=O)N1CCC[C@@H]1c1cccs1)CC(C)(C)C[NH3+] ZINC000093874360 193322425 /nfs/dbraw/zinc/32/24/25/193322425.db2.gz HYGAXTWYXHPOFM-CYBMUJFWSA-N 2 2 309.479 2.328 10 0 DEAELP CCC[NH2+][C@@H]1CCCc2nc([C@@H]3C[NH+]4CCN3CC4)sc21 ZINC000094511048 193375928 /nfs/dbraw/zinc/37/59/28/193375928.db2.gz NIBYVDAYDLLQQN-OCCSQVGLSA-N 2 2 306.479 2.192 10 0 DEAELP COCC[NH2+]CCC[NH2+]Cc1c(F)cccc1Br ZINC000160881646 197447288 /nfs/dbraw/zinc/44/72/88/197447288.db2.gz XILOWBVRCOBHCC-UHFFFAOYSA-N 2 2 319.218 2.304 10 0 DEAELP CC1(C)CC(Nc2nc[nH+]c(N3CCCC3)c2N)CC(C)(C)[NH2+]1 ZINC000040724337 183124832 /nfs/dbraw/zinc/12/48/32/183124832.db2.gz LQFLCPVXXAOVBR-UHFFFAOYSA-N 2 2 318.469 2.380 10 0 DEAELP C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040749336 183129060 /nfs/dbraw/zinc/12/90/60/183129060.db2.gz JDRJIGYCCDXGIV-PRTUASRFSA-N 2 2 308.447 2.105 10 0 DEAELP C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040749336 183129061 /nfs/dbraw/zinc/12/90/61/183129061.db2.gz JDRJIGYCCDXGIV-PRTUASRFSA-N 2 2 308.447 2.105 10 0 DEAELP COc1ccc(Br)cc1C[N@H+](C)C[C@H](C)C(N)=[NH2+] ZINC000042459871 183273106 /nfs/dbraw/zinc/27/31/06/183273106.db2.gz ZHSSTFODHMBFRK-VIFPVBQESA-N 2 2 314.227 2.462 10 0 DEAELP COc1ccc(Br)cc1C[N@@H+](C)C[C@H](C)C(N)=[NH2+] ZINC000042459871 183273108 /nfs/dbraw/zinc/27/31/08/183273108.db2.gz ZHSSTFODHMBFRK-VIFPVBQESA-N 2 2 314.227 2.462 10 0 DEAELP CC[N@H+](CCO)[C@@H](c1ccc(Br)cc1)[C@@H](C)[NH3+] ZINC000042953984 183321938 /nfs/dbraw/zinc/32/19/38/183321938.db2.gz YBONPXBNQAEZCV-ZWNOBZJWSA-N 2 2 301.228 2.152 10 0 DEAELP CC[N@@H+](CCO)[C@@H](c1ccc(Br)cc1)[C@@H](C)[NH3+] ZINC000042953984 183321940 /nfs/dbraw/zinc/32/19/40/183321940.db2.gz YBONPXBNQAEZCV-ZWNOBZJWSA-N 2 2 301.228 2.152 10 0 DEAELP O=C1NCCCC[C@H]1[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000153482889 296366370 /nfs/dbraw/zinc/36/63/70/296366370.db2.gz YVYUKYYQUIOUEB-DLBZAZTESA-N 2 2 307.482 2.243 10 0 DEAELP O=C1NCCCC[C@H]1[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000153482889 296366374 /nfs/dbraw/zinc/36/63/74/296366374.db2.gz YVYUKYYQUIOUEB-DLBZAZTESA-N 2 2 307.482 2.243 10 0 DEAELP c1coc(C[N@H+]2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCOCC2)O3)c1 ZINC000249683555 257106894 /nfs/dbraw/zinc/10/68/94/257106894.db2.gz CYMDEWUYSBCGPB-ROUUACIJSA-N 2 2 320.433 2.125 10 0 DEAELP c1coc(C[N@@H+]2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCOCC2)O3)c1 ZINC000249683555 257106895 /nfs/dbraw/zinc/10/68/95/257106895.db2.gz CYMDEWUYSBCGPB-ROUUACIJSA-N 2 2 320.433 2.125 10 0 DEAELP COc1cc(Br)cc(-n2c[nH+]cc2C2C[NH2+]C2)c1 ZINC000123191267 195554596 /nfs/dbraw/zinc/55/45/96/195554596.db2.gz PTKUSQJDBZDOPE-UHFFFAOYSA-N 2 2 308.179 2.330 10 0 DEAELP COC(=O)[C@@H](C1CC1)[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000359604807 133133689 /nfs/dbraw/zinc/13/36/89/133133689.db2.gz FFLHZFQDSLVXIB-DOTOQJQBSA-N 2 2 308.466 2.382 10 0 DEAELP COC(=O)[C@@H](C1CC1)[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000359604807 133133690 /nfs/dbraw/zinc/13/36/90/133133690.db2.gz FFLHZFQDSLVXIB-DOTOQJQBSA-N 2 2 308.466 2.382 10 0 DEAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000192192463 145072319 /nfs/dbraw/zinc/07/23/19/145072319.db2.gz YBSATFNAHOAPGB-SFHVURJKSA-N 2 2 313.401 2.172 10 0 DEAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000192192463 145072320 /nfs/dbraw/zinc/07/23/20/145072320.db2.gz YBSATFNAHOAPGB-SFHVURJKSA-N 2 2 313.401 2.172 10 0 DEAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N2CCc3ccccc32)[C@@H](C)C1 ZINC000245437730 145092673 /nfs/dbraw/zinc/09/26/73/145092673.db2.gz RRZLUFKENWTZMI-DOTOQJQBSA-N 2 2 315.461 2.238 10 0 DEAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N2CCc3ccccc32)[C@@H](C)C1 ZINC000245437730 145092675 /nfs/dbraw/zinc/09/26/75/145092675.db2.gz RRZLUFKENWTZMI-DOTOQJQBSA-N 2 2 315.461 2.238 10 0 DEAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N2CCc3ccccc32)[C@@H](C)C1 ZINC000245437730 145092676 /nfs/dbraw/zinc/09/26/76/145092676.db2.gz RRZLUFKENWTZMI-DOTOQJQBSA-N 2 2 315.461 2.238 10 0 DEAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N2CCc3ccccc32)[C@@H](C)C1 ZINC000245437730 145092678 /nfs/dbraw/zinc/09/26/78/145092678.db2.gz RRZLUFKENWTZMI-DOTOQJQBSA-N 2 2 315.461 2.238 10 0 DEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N(C)Cc2ccccc2)[C@@H](C)C1 ZINC000245440972 145092726 /nfs/dbraw/zinc/09/27/26/145092726.db2.gz VCWKNBLHNLHKDJ-WMZOPIPTSA-N 2 2 317.477 2.307 10 0 DEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N(C)Cc2ccccc2)[C@@H](C)C1 ZINC000245440972 145092728 /nfs/dbraw/zinc/09/27/28/145092728.db2.gz VCWKNBLHNLHKDJ-WMZOPIPTSA-N 2 2 317.477 2.307 10 0 DEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N(C)Cc2ccccc2)[C@@H](C)C1 ZINC000245440972 145092730 /nfs/dbraw/zinc/09/27/30/145092730.db2.gz VCWKNBLHNLHKDJ-WMZOPIPTSA-N 2 2 317.477 2.307 10 0 DEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N(C)Cc2ccccc2)[C@@H](C)C1 ZINC000245440972 145092732 /nfs/dbraw/zinc/09/27/32/145092732.db2.gz VCWKNBLHNLHKDJ-WMZOPIPTSA-N 2 2 317.477 2.307 10 0 DEAELP CC(C)[NH2+]CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000249028121 145176100 /nfs/dbraw/zinc/17/61/00/145176100.db2.gz LGOKTIFZCIHUJQ-SOUVJXGZSA-N 2 2 311.470 2.220 10 0 DEAELP CC(C)[NH2+]CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000249028121 145176102 /nfs/dbraw/zinc/17/61/02/145176102.db2.gz LGOKTIFZCIHUJQ-SOUVJXGZSA-N 2 2 311.470 2.220 10 0 DEAELP [NH3+]Cc1nc(C[NH+]2CCC(CCc3ccccc3)CC2)no1 ZINC000261611793 145210669 /nfs/dbraw/zinc/21/06/69/145210669.db2.gz BZBAUVDXVWYACM-UHFFFAOYSA-N 2 2 300.406 2.373 10 0 DEAELP C[C@H](C(=O)N1CCc2sccc2C1)[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261622847 145210797 /nfs/dbraw/zinc/21/07/97/145210797.db2.gz DPPDWMNUNYILBJ-DOMZBBRYSA-N 2 2 321.490 2.081 10 0 DEAELP C[C@H](C(=O)N1CCc2sccc2C1)[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261622847 145210800 /nfs/dbraw/zinc/21/08/00/145210800.db2.gz DPPDWMNUNYILBJ-DOMZBBRYSA-N 2 2 321.490 2.081 10 0 DEAELP c1nn(-c2ccccc2)c2nc[nH+]c(NCC[C@H]3CCC[NH2+]3)c12 ZINC000261803949 145228169 /nfs/dbraw/zinc/22/81/69/145228169.db2.gz FVMQRHLRARWLMF-CYBMUJFWSA-N 2 2 308.389 2.370 10 0 DEAELP Cc1cccn2c(CN3CC[NH2+]C[C@H]3c3cccnc3)c[nH+]c12 ZINC000261817657 145229474 /nfs/dbraw/zinc/22/94/74/145229474.db2.gz XOPCYKSJVORGJQ-KRWDZBQOSA-N 2 2 307.401 2.184 10 0 DEAELP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)c1 ZINC000262058147 145257562 /nfs/dbraw/zinc/25/75/62/145257562.db2.gz RLWAUJIRMIOPQC-MRXNPFEDSA-N 2 2 312.417 2.380 10 0 DEAELP C[C@H](NC(=O)C[N@H+](C)[C@@H]1CCC[NH2+]CC1)c1ccc(F)cc1 ZINC000262460644 145285395 /nfs/dbraw/zinc/28/53/95/145285395.db2.gz INMXDASLVQNBAA-XJKSGUPXSA-N 2 2 307.413 2.077 10 0 DEAELP C[C@H](NC(=O)C[N@@H+](C)[C@@H]1CCC[NH2+]CC1)c1ccc(F)cc1 ZINC000262460644 145285398 /nfs/dbraw/zinc/28/53/98/145285398.db2.gz INMXDASLVQNBAA-XJKSGUPXSA-N 2 2 307.413 2.077 10 0 DEAELP Clc1cccc(-c2noc(C[N@@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)n2)c1 ZINC000262530539 145290758 /nfs/dbraw/zinc/29/07/58/145290758.db2.gz PMSVEHWEKXCGAY-CHWSQXEVSA-N 2 2 318.808 2.431 10 0 DEAELP Clc1cccc(-c2noc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)n2)c1 ZINC000262530539 145290759 /nfs/dbraw/zinc/29/07/59/145290759.db2.gz PMSVEHWEKXCGAY-CHWSQXEVSA-N 2 2 318.808 2.431 10 0 DEAELP C[C@H](C(=O)NCc1ccc[nH+]c1N(C)C)[NH+]1CCCCCC1 ZINC000074218648 401733402 /nfs/dbraw/zinc/73/34/02/401733402.db2.gz KMQFDBJTGHFOEQ-CQSZACIVSA-N 2 2 304.438 2.028 10 0 DEAELP C[C@@H](C(=O)NCc1ccc[nH+]c1N(C)C)[NH+]1CCCCCC1 ZINC000074218643 401733690 /nfs/dbraw/zinc/73/36/90/401733690.db2.gz KMQFDBJTGHFOEQ-AWEZNQCLSA-N 2 2 304.438 2.028 10 0 DEAELP C[C@H]([NH2+]C1CCN(C(N)=O)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000151666252 402049336 /nfs/dbraw/zinc/04/93/36/402049336.db2.gz LNETZLAMQRECDQ-ZDUSSCGKSA-N 2 2 313.405 2.066 10 0 DEAELP C[C@@H]1C[C@H]([NH+](C)CC(=O)N2CCCc3ccccc32)CC[N@@H+]1C ZINC000123022481 402106545 /nfs/dbraw/zinc/10/65/45/402106545.db2.gz UQKAEYMQFBIYOZ-NVXWUHKLSA-N 2 2 315.461 2.380 10 0 DEAELP C[C@@H]1C[C@H]([NH+](C)CC(=O)N2CCCc3ccccc32)CC[N@H+]1C ZINC000123022481 402106548 /nfs/dbraw/zinc/10/65/48/402106548.db2.gz UQKAEYMQFBIYOZ-NVXWUHKLSA-N 2 2 315.461 2.380 10 0 DEAELP C[C@@H]1C[C@H]([N@H+](C)CC(=O)N2CCCc3ccccc32)CC[NH+]1C ZINC000123022481 402106550 /nfs/dbraw/zinc/10/65/50/402106550.db2.gz UQKAEYMQFBIYOZ-NVXWUHKLSA-N 2 2 315.461 2.380 10 0 DEAELP C[C@@H]1C[C@H]([N@@H+](C)CC(=O)N2CCCc3ccccc32)CC[NH+]1C ZINC000123022481 402106552 /nfs/dbraw/zinc/10/65/52/402106552.db2.gz UQKAEYMQFBIYOZ-NVXWUHKLSA-N 2 2 315.461 2.380 10 0 DEAELP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1cccc(N2CCOC2=O)c1 ZINC000154571046 402218629 /nfs/dbraw/zinc/21/86/29/402218629.db2.gz CDNOYQJJMAIFPX-CJNGLKHVSA-N 2 2 303.406 2.388 10 0 DEAELP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1cccc(N2CCOC2=O)c1 ZINC000154571046 402218633 /nfs/dbraw/zinc/21/86/33/402218633.db2.gz CDNOYQJJMAIFPX-CJNGLKHVSA-N 2 2 303.406 2.388 10 0 DEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)NC(C)(C)CC)C1 ZINC000105896802 402210714 /nfs/dbraw/zinc/21/07/14/402210714.db2.gz WUSIGOHINSAAAC-AWEZNQCLSA-N 2 2 306.454 2.387 10 0 DEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)NC(C)(C)CC)C1 ZINC000105896802 402210716 /nfs/dbraw/zinc/21/07/16/402210716.db2.gz WUSIGOHINSAAAC-AWEZNQCLSA-N 2 2 306.454 2.387 10 0 DEAELP C[C@H]1CCCN(c2cc(N3CC[NH+](CC4CC4)CC3)nc[nH+]2)C1 ZINC000110246841 402283870 /nfs/dbraw/zinc/28/38/70/402283870.db2.gz FWTRVWWCKKWUJI-HNNXBMFYSA-N 2 2 315.465 2.245 10 0 DEAELP Cc1cc(C)n2c(C[NH+](C)[C@@H]3CC[N@H+](C)[C@@H](C)C3)cnc2n1 ZINC000245795520 402488191 /nfs/dbraw/zinc/48/81/91/402488191.db2.gz WVFMVTJDYVVOFN-DZGCQCFKSA-N 2 2 301.438 2.261 10 0 DEAELP Cc1cc(C)n2c(C[NH+](C)[C@@H]3CC[N@@H+](C)[C@@H](C)C3)cnc2n1 ZINC000245795520 402488193 /nfs/dbraw/zinc/48/81/93/402488193.db2.gz WVFMVTJDYVVOFN-DZGCQCFKSA-N 2 2 301.438 2.261 10 0 DEAELP Cc1cc(C)n2c(C[N@@H+](C)[C@@H]3CC[NH+](C)[C@@H](C)C3)cnc2n1 ZINC000245795520 402488196 /nfs/dbraw/zinc/48/81/96/402488196.db2.gz WVFMVTJDYVVOFN-DZGCQCFKSA-N 2 2 301.438 2.261 10 0 DEAELP Cc1cc(C)n2c(C[N@H+](C)[C@@H]3CC[NH+](C)[C@@H](C)C3)cnc2n1 ZINC000245795520 402488198 /nfs/dbraw/zinc/48/81/98/402488198.db2.gz WVFMVTJDYVVOFN-DZGCQCFKSA-N 2 2 301.438 2.261 10 0 DEAELP COc1c(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(C)nn1C ZINC000246091299 402509022 /nfs/dbraw/zinc/50/90/22/402509022.db2.gz IPBXHHZBYLBSBH-WMLDXEAASA-N 2 2 318.465 2.186 10 0 DEAELP COc1c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(C)nn1C ZINC000246091299 402509024 /nfs/dbraw/zinc/50/90/24/402509024.db2.gz IPBXHHZBYLBSBH-WMLDXEAASA-N 2 2 318.465 2.186 10 0 DEAELP COc1c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(C)nn1C ZINC000246091299 402509026 /nfs/dbraw/zinc/50/90/26/402509026.db2.gz IPBXHHZBYLBSBH-WMLDXEAASA-N 2 2 318.465 2.186 10 0 DEAELP CC[C@@H](C)NC(=O)C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189893230 402564897 /nfs/dbraw/zinc/56/48/97/402564897.db2.gz BYLQKASTBASOEK-KGLIPLIRSA-N 2 2 300.406 2.438 10 0 DEAELP C[N@H+](Cc1cccc2[nH+]ccn21)[C@H]1CCCN(c2cccnn2)C1 ZINC000180078921 402606878 /nfs/dbraw/zinc/60/68/78/402606878.db2.gz FDPKSFGLKKWYGN-HNNXBMFYSA-N 2 2 322.416 2.225 10 0 DEAELP C[N@@H+](Cc1cccc2[nH+]ccn21)[C@H]1CCCN(c2cccnn2)C1 ZINC000180078921 402606879 /nfs/dbraw/zinc/60/68/79/402606879.db2.gz FDPKSFGLKKWYGN-HNNXBMFYSA-N 2 2 322.416 2.225 10 0 DEAELP Cc1cccc(NC[C@H]2CC[N@@H+](CC(=O)OCC(C)C)C2)[nH+]1 ZINC000181462167 402646122 /nfs/dbraw/zinc/64/61/22/402646122.db2.gz CJKCAAMFZGPKPH-OAHLLOKOSA-N 2 2 305.422 2.323 10 0 DEAELP Cc1cccc(NC[C@H]2CC[N@H+](CC(=O)OCC(C)C)C2)[nH+]1 ZINC000181462167 402646123 /nfs/dbraw/zinc/64/61/23/402646123.db2.gz CJKCAAMFZGPKPH-OAHLLOKOSA-N 2 2 305.422 2.323 10 0 DEAELP C[NH+]1CCC(CNC(=O)C[C@@H]2C=CCC2)([NH+]2CCCCC2)CC1 ZINC000172750951 402673697 /nfs/dbraw/zinc/67/36/97/402673697.db2.gz ZTTZZNKUXQWLAU-QGZVFWFLSA-N 2 2 319.493 2.409 10 0 DEAELP C[NH+]1CCN(C(=O)C[NH2+][C@H](c2ccc(Cl)cc2)C2CC2)CC1 ZINC000183728417 402792913 /nfs/dbraw/zinc/79/29/13/402792913.db2.gz SPOUBENZFDFWCP-KRWDZBQOSA-N 2 2 321.852 2.155 10 0 DEAELP CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000175389356 402801804 /nfs/dbraw/zinc/80/18/04/402801804.db2.gz SIWJAESCNSNILD-ZIAGYGMSSA-N 2 2 305.426 2.131 10 0 DEAELP CC[N@H+]1CCC[C@@H]1CNC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000175389356 402801807 /nfs/dbraw/zinc/80/18/07/402801807.db2.gz SIWJAESCNSNILD-ZIAGYGMSSA-N 2 2 305.426 2.131 10 0 DEAELP COCC[N@H+](C)CCCNc1cc(C)[nH+]c(-c2cccnc2)n1 ZINC000194554214 402802687 /nfs/dbraw/zinc/80/26/87/402802687.db2.gz BOWLIEVNXLMROE-UHFFFAOYSA-N 2 2 315.421 2.227 10 0 DEAELP COCC[N@@H+](C)CCCNc1cc(C)[nH+]c(-c2cccnc2)n1 ZINC000194554214 402802689 /nfs/dbraw/zinc/80/26/89/402802689.db2.gz BOWLIEVNXLMROE-UHFFFAOYSA-N 2 2 315.421 2.227 10 0 DEAELP C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)[C@@H]1c1ccccc1 ZINC000332759188 403613555 /nfs/dbraw/zinc/61/35/55/403613555.db2.gz ZEYJLAYZGWUORE-SZMVWBNQSA-N 2 2 324.428 2.007 10 0 DEAELP C[N@H+]1CC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)[C@@H]1c1ccccc1 ZINC000332759188 403613560 /nfs/dbraw/zinc/61/35/60/403613560.db2.gz ZEYJLAYZGWUORE-SZMVWBNQSA-N 2 2 324.428 2.007 10 0 DEAELP C[C@@H]1CCCN(c2cc(N3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)nc[nH+]2)C1 ZINC000333576938 403783569 /nfs/dbraw/zinc/78/35/69/403783569.db2.gz SUWFPVDGEMJAQA-QKPAOTATSA-N 2 2 315.465 2.277 10 0 DEAELP C[C@@H]1CCCN(c2cc(N3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)[nH+]cn2)C1 ZINC000333576938 403783573 /nfs/dbraw/zinc/78/35/73/403783573.db2.gz SUWFPVDGEMJAQA-QKPAOTATSA-N 2 2 315.465 2.277 10 0 DEAELP [NH3+][C@@H]1CCCO[C@@H]1C1CCN(c2cc[nH+]c(C3CC3)n2)CC1 ZINC000333647541 403803299 /nfs/dbraw/zinc/80/32/99/403803299.db2.gz JHAFMDCCIBCCRP-GDBMZVCRSA-N 2 2 302.422 2.077 10 0 DEAELP C(C[NH+]1CCOCC1)N1CCC([NH2+]C2(C3CCC3)CCC2)CC1 ZINC000414171246 404533972 /nfs/dbraw/zinc/53/39/72/404533972.db2.gz CXMLQNHDDQLYDL-UHFFFAOYSA-N 2 2 321.509 2.095 10 0 DEAELP C(C[NH+]1CCC([NH2+]C2(C3CCC3)CCC2)CC1)N1CCOCC1 ZINC000414171246 404533975 /nfs/dbraw/zinc/53/39/75/404533975.db2.gz CXMLQNHDDQLYDL-UHFFFAOYSA-N 2 2 321.509 2.095 10 0 DEAELP COC[C@H](CCC[NH3+])[NH2+]C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000379655277 405028451 /nfs/dbraw/zinc/02/84/51/405028451.db2.gz LFEJVBXZGBRSBE-RBUKOAKNSA-N 3 2 319.493 2.385 10 0 DEAELP COC[C@H](CCC[NH3+])[NH2+]C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000379655277 405028453 /nfs/dbraw/zinc/02/84/53/405028453.db2.gz LFEJVBXZGBRSBE-RBUKOAKNSA-N 3 2 319.493 2.385 10 0 DEAELP c1[nH+]cn2cc(C[NH2+]C3CC[NH+](Cc4ccncc4)CC3)ccc12 ZINC000459663663 405999712 /nfs/dbraw/zinc/99/97/12/405999712.db2.gz XQYYKVFERZUFKL-UHFFFAOYSA-N 3 2 321.428 2.484 10 0 DEAELP c1c[nH]c([C@@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)c2cccnc2)n1 ZINC000635007572 406397277 /nfs/dbraw/zinc/39/72/77/406397277.db2.gz DRTNMHRQKIDEEG-SFHVURJKSA-N 2 2 319.412 2.330 10 0 DEAELP c1c[nH+]c([C@@H](NCc2cccc3c2CC[NH2+]C3)c2cccnc2)[nH]1 ZINC000635007572 406397282 /nfs/dbraw/zinc/39/72/82/406397282.db2.gz DRTNMHRQKIDEEG-SFHVURJKSA-N 2 2 319.412 2.330 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1C[C@@H](C)[N@H+](C)C[C@@H]1C)C2 ZINC000526010067 406532527 /nfs/dbraw/zinc/53/25/27/406532527.db2.gz NFFYGVBIAGLKDH-HZSPNIEDSA-N 2 2 318.465 2.189 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1C[C@@H](C)[N@@H+](C)C[C@@H]1C)C2 ZINC000526010067 406532532 /nfs/dbraw/zinc/53/25/32/406532532.db2.gz NFFYGVBIAGLKDH-HZSPNIEDSA-N 2 2 318.465 2.189 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1C[C@@H](C)[N@H+](C)C[C@@H]1C)CC2 ZINC000526010067 406532535 /nfs/dbraw/zinc/53/25/35/406532535.db2.gz NFFYGVBIAGLKDH-HZSPNIEDSA-N 2 2 318.465 2.189 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1C[C@@H](C)[N@@H+](C)C[C@@H]1C)CC2 ZINC000526010067 406532537 /nfs/dbraw/zinc/53/25/37/406532537.db2.gz NFFYGVBIAGLKDH-HZSPNIEDSA-N 2 2 318.465 2.189 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1)C2 ZINC000527247603 406604315 /nfs/dbraw/zinc/60/43/15/406604315.db2.gz FUEDHCXPDOYBOD-MGPQQGTHSA-N 2 2 318.465 2.237 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1)C2 ZINC000527247603 406604320 /nfs/dbraw/zinc/60/43/20/406604320.db2.gz FUEDHCXPDOYBOD-MGPQQGTHSA-N 2 2 318.465 2.237 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1)CC2 ZINC000527247603 406604325 /nfs/dbraw/zinc/60/43/25/406604325.db2.gz FUEDHCXPDOYBOD-MGPQQGTHSA-N 2 2 318.465 2.237 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1)CC2 ZINC000527247603 406604330 /nfs/dbraw/zinc/60/43/30/406604330.db2.gz FUEDHCXPDOYBOD-MGPQQGTHSA-N 2 2 318.465 2.237 10 0 DEAELP CC(C)C[C@@H](C[NH+](C)C)Nc1nc(N)[nH+]cc1Br ZINC000131178137 196148004 /nfs/dbraw/zinc/14/80/04/196148004.db2.gz UXIRWXXJJJDHSD-VIFPVBQESA-N 2 2 316.247 2.210 10 0 DEAELP COC[C@H](C)[C@H](C[NH3+])[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000131927567 196210496 /nfs/dbraw/zinc/21/04/96/196210496.db2.gz RPBLDIDJDGVALO-BBRMVZONSA-N 2 2 311.857 2.072 10 0 DEAELP Cc1ncc(C[NH+]2CCN(CC[NH+]3CCCCC3)CC2)s1 ZINC000132281787 196241771 /nfs/dbraw/zinc/24/17/71/196241771.db2.gz SPIJEMGXAPHZMH-UHFFFAOYSA-N 2 2 308.495 2.055 10 0 DEAELP COCC[N@H+](C)CCCNc1cc(N2CCC[C@H](C)C2)nc[nH+]1 ZINC000189427302 225051636 /nfs/dbraw/zinc/05/16/36/225051636.db2.gz ZRMIMIINDYOILW-HNNXBMFYSA-N 2 2 321.469 2.093 10 0 DEAELP COCC[N@@H+](C)CCCNc1cc(N2CCC[C@H](C)C2)nc[nH+]1 ZINC000189427302 225051638 /nfs/dbraw/zinc/05/16/38/225051638.db2.gz ZRMIMIINDYOILW-HNNXBMFYSA-N 2 2 321.469 2.093 10 0 DEAELP COCC[N@H+](C)CCCNc1cc(N2CCC[C@H](C)C2)[nH+]cn1 ZINC000189427302 225051641 /nfs/dbraw/zinc/05/16/41/225051641.db2.gz ZRMIMIINDYOILW-HNNXBMFYSA-N 2 2 321.469 2.093 10 0 DEAELP COCC[N@@H+](C)CCCNc1cc(N2CCC[C@H](C)C2)[nH+]cn1 ZINC000189427302 225051644 /nfs/dbraw/zinc/05/16/44/225051644.db2.gz ZRMIMIINDYOILW-HNNXBMFYSA-N 2 2 321.469 2.093 10 0 DEAELP CCO[C@@H]1C[N@H+](Cc2ccc(Br)s2)C[C@H]1C[NH3+] ZINC000405466972 424931660 /nfs/dbraw/zinc/93/16/60/424931660.db2.gz UAAKNZBBUINYTG-MWLCHTKSSA-N 2 2 319.268 2.306 10 0 DEAELP CCO[C@@H]1C[N@@H+](Cc2ccc(Br)s2)C[C@H]1C[NH3+] ZINC000405466972 424931662 /nfs/dbraw/zinc/93/16/62/424931662.db2.gz UAAKNZBBUINYTG-MWLCHTKSSA-N 2 2 319.268 2.306 10 0 DEAELP C[C@@]1([NH3+])CCCC[C@@H]1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000263228079 274451962 /nfs/dbraw/zinc/45/19/62/274451962.db2.gz NBMFXVXAPCBBHF-CRAIPNDOSA-N 2 2 316.449 2.074 10 0 DEAELP Cc1cc(F)ccc1N1CCC[C@@H]([N@@H+]2CC[C@@](C)(C[NH3+])C2)C1=O ZINC000261915673 301312525 /nfs/dbraw/zinc/31/25/25/301312525.db2.gz YBCJDYMDNXLNRZ-AEFFLSMTSA-N 2 2 319.424 2.300 10 0 DEAELP Cc1cc(F)ccc1N1CCC[C@@H]([N@H+]2CC[C@@](C)(C[NH3+])C2)C1=O ZINC000261915673 301312526 /nfs/dbraw/zinc/31/25/26/301312526.db2.gz YBCJDYMDNXLNRZ-AEFFLSMTSA-N 2 2 319.424 2.300 10 0 DEAELP c1cc(-c2noc(C[N@@H+]3CC[C@]4(C3)CCC[NH2+]C4)n2)cs1 ZINC000573001220 326010230 /nfs/dbraw/zinc/01/02/30/326010230.db2.gz HYIZLKAQYFPTMH-OAHLLOKOSA-N 2 2 304.419 2.374 10 0 DEAELP c1cc(-c2noc(C[N@H+]3CC[C@]4(C3)CCC[NH2+]C4)n2)cs1 ZINC000573001220 326010233 /nfs/dbraw/zinc/01/02/33/326010233.db2.gz HYIZLKAQYFPTMH-OAHLLOKOSA-N 2 2 304.419 2.374 10 0 DEAELP Cc1nc(NC[C@@H](C)[N@@H+]2CCOC[C@H]2C)c2c([nH+]1)CCCC2 ZINC000302063901 534621879 /nfs/dbraw/zinc/62/18/79/534621879.db2.gz VDQFKYCWFXAFFK-CHWSQXEVSA-N 2 2 304.438 2.185 10 0 DEAELP Cc1nc(NC[C@@H](C)[N@H+]2CCOC[C@H]2C)c2c([nH+]1)CCCC2 ZINC000302063901 534621884 /nfs/dbraw/zinc/62/18/84/534621884.db2.gz VDQFKYCWFXAFFK-CHWSQXEVSA-N 2 2 304.438 2.185 10 0 DEAELP CC(=O)Nc1nc(C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cs1 ZINC000246490839 534773573 /nfs/dbraw/zinc/77/35/73/534773573.db2.gz GSLOGPXPKLFXIB-BXUZGUMPSA-N 2 2 319.434 2.381 10 0 DEAELP CC(=O)Nc1nc(C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cs1 ZINC000246490839 534773576 /nfs/dbraw/zinc/77/35/76/534773576.db2.gz GSLOGPXPKLFXIB-BXUZGUMPSA-N 2 2 319.434 2.381 10 0 DEAELP CC(C)Cn1cc[nH+]c1CNC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000262914476 534911884 /nfs/dbraw/zinc/91/18/84/534911884.db2.gz RBLCHSSKMRZHTL-HNNXBMFYSA-N 2 2 300.406 2.245 10 0 DEAELP CCCn1cc(C[NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)cn1 ZINC000328646939 528844697 /nfs/dbraw/zinc/84/46/97/528844697.db2.gz SXIPPSYLSKIYPR-ROUUACIJSA-N 2 2 313.449 2.471 10 0 DEAELP CCCn1cc(C[NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)cn1 ZINC000328646939 528844704 /nfs/dbraw/zinc/84/47/04/528844704.db2.gz SXIPPSYLSKIYPR-ROUUACIJSA-N 2 2 313.449 2.471 10 0 DEAELP CC[C@](C)(O)C[N@@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195248805 529374258 /nfs/dbraw/zinc/37/42/58/529374258.db2.gz BZZNONVLNOCKJY-ZBFHGGJFSA-N 2 2 311.495 2.366 10 0 DEAELP CC[C@](C)(O)C[N@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195248805 529374261 /nfs/dbraw/zinc/37/42/61/529374261.db2.gz BZZNONVLNOCKJY-ZBFHGGJFSA-N 2 2 311.495 2.366 10 0 DEAELP CC[C@](C)(O)C[NH+]1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000195248805 529374262 /nfs/dbraw/zinc/37/42/62/529374262.db2.gz BZZNONVLNOCKJY-ZBFHGGJFSA-N 2 2 311.495 2.366 10 0 DEAELP CC[C@](C)(O)C[NH+]1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000195248805 529374264 /nfs/dbraw/zinc/37/42/64/529374264.db2.gz BZZNONVLNOCKJY-ZBFHGGJFSA-N 2 2 311.495 2.366 10 0 DEAELP CCN(Cc1cccc(F)c1)C(=O)C[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261806901 535786245 /nfs/dbraw/zinc/78/62/45/535786245.db2.gz WLSGWVSFRMEHME-MRXNPFEDSA-N 2 2 321.440 2.233 10 0 DEAELP CCN(Cc1cccc(F)c1)C(=O)C[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261806901 535786246 /nfs/dbraw/zinc/78/62/46/535786246.db2.gz WLSGWVSFRMEHME-MRXNPFEDSA-N 2 2 321.440 2.233 10 0 DEAELP C[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C[C@]1(C)CC[NH2+]C1 ZINC000261692738 536434255 /nfs/dbraw/zinc/43/42/55/536434255.db2.gz BBWCKLIVTRPCTP-RBUKOAKNSA-N 3 2 301.478 2.440 10 0 DEAELP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C[C@]1(C)CC[NH2+]C1 ZINC000261692738 536434257 /nfs/dbraw/zinc/43/42/57/536434257.db2.gz BBWCKLIVTRPCTP-RBUKOAKNSA-N 3 2 301.478 2.440 10 0 DEAELP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C[C@]1(C)CC[NH2+]C1 ZINC000261692738 536434260 /nfs/dbraw/zinc/43/42/60/536434260.db2.gz BBWCKLIVTRPCTP-RBUKOAKNSA-N 3 2 301.478 2.440 10 0 DEAELP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@]1(C)CC[NH2+]C1 ZINC000261692738 536434261 /nfs/dbraw/zinc/43/42/61/536434261.db2.gz BBWCKLIVTRPCTP-RBUKOAKNSA-N 3 2 301.478 2.440 10 0 DEAELP CN1c2ccc(C[NH+]3CCC([NH+](C)C)CC3)cc2CCC1=O ZINC000186902866 636592670 /nfs/dbraw/zinc/59/26/70/636592670.db2.gz ILUITXXXQMMUSL-UHFFFAOYSA-N 2 2 301.434 2.122 10 0 DEAELP C[C@@]1(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@]3(C)C2)CC[NH2+]C1 ZINC000720827944 1086179494 /nfs/dbraw/zinc/17/94/94/1086179494.db2.gz OCQJHIJYZJKNOS-XUVXKRRUSA-N 3 2 313.489 2.440 10 0 DEAELP C[C@@]1(C[N@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@]3(C)C2)CC[NH2+]C1 ZINC000720827944 1086179501 /nfs/dbraw/zinc/17/95/01/1086179501.db2.gz OCQJHIJYZJKNOS-XUVXKRRUSA-N 3 2 313.489 2.440 10 0 DEAELP C[C@@]1(C[NH+]2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@]3(C)C2)CC[NH2+]C1 ZINC000720827944 1086179510 /nfs/dbraw/zinc/17/95/10/1086179510.db2.gz OCQJHIJYZJKNOS-XUVXKRRUSA-N 3 2 313.489 2.440 10 0 DEAELP C[C@@]1(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@]3(C)C2)CC[NH2+]C1 ZINC000720827944 1086179517 /nfs/dbraw/zinc/17/95/17/1086179517.db2.gz OCQJHIJYZJKNOS-XUVXKRRUSA-N 3 2 313.489 2.440 10 0 DEAELP C[NH2+]C1(CC[NH+]2CCN(CC(F)(F)F)CC2)CCCCC1 ZINC000087578588 185229030 /nfs/dbraw/zinc/22/90/30/185229030.db2.gz YHJSPNJJVIHZNL-UHFFFAOYSA-N 2 2 307.404 2.479 10 0 DEAELP CC(C)C[NH2+][C@@H](C[NH3+])c1cc2c(c(Br)c1)OCO2 ZINC000087911528 185237384 /nfs/dbraw/zinc/23/73/84/185237384.db2.gz GAJQBDORWQSPKP-NSHDSACASA-N 2 2 315.211 2.423 10 0 DEAELP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cn(C)nc2C(F)(F)F)[C@H](C)C1 ZINC000090666182 185308803 /nfs/dbraw/zinc/30/88/03/185308803.db2.gz JQYRYQTWYAMMRG-ZYHUDNBSSA-N 2 2 304.360 2.259 10 0 DEAELP CC[N@H+]1CC[C@@H]([NH2+]Cc2cn(C)nc2C(F)(F)F)[C@H](C)C1 ZINC000090666182 185308804 /nfs/dbraw/zinc/30/88/04/185308804.db2.gz JQYRYQTWYAMMRG-ZYHUDNBSSA-N 2 2 304.360 2.259 10 0 DEAELP CC(C)(C)OC(=O)NCC[N@@H+]1CCc2ccccc2[C@@H]1CC[NH3+] ZINC000616693355 362911353 /nfs/dbraw/zinc/91/13/53/362911353.db2.gz YIHYLJATJWIHMG-INIZCTEOSA-N 2 2 319.449 2.459 10 0 DEAELP CC(C)(C)OC(=O)NCC[N@H+]1CCc2ccccc2[C@@H]1CC[NH3+] ZINC000616693355 362911358 /nfs/dbraw/zinc/91/13/58/362911358.db2.gz YIHYLJATJWIHMG-INIZCTEOSA-N 2 2 319.449 2.459 10 0 DEAELP O[C@@]12CCCC[C@@H]1C[N@H+](Cc1ccc(-n3cc[nH+]c3)nc1)CC2 ZINC000140544549 186026606 /nfs/dbraw/zinc/02/66/06/186026606.db2.gz RCMJQSZYPGNLDI-SJLPKXTDSA-N 2 2 312.417 2.394 10 0 DEAELP O[C@@]12CCCC[C@@H]1C[N@@H+](Cc1ccc(-n3cc[nH+]c3)nc1)CC2 ZINC000140544549 186026608 /nfs/dbraw/zinc/02/66/08/186026608.db2.gz RCMJQSZYPGNLDI-SJLPKXTDSA-N 2 2 312.417 2.394 10 0 DEAELP O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCC[N@@H+](C2CC2)CC1 ZINC000148948113 186047183 /nfs/dbraw/zinc/04/71/83/186047183.db2.gz WJRIRPWUEIHFHA-UHFFFAOYSA-N 2 2 310.401 2.183 10 0 DEAELP O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCC[N@H+](C2CC2)CC1 ZINC000148948113 186047185 /nfs/dbraw/zinc/04/71/85/186047185.db2.gz WJRIRPWUEIHFHA-UHFFFAOYSA-N 2 2 310.401 2.183 10 0 DEAELP CCC(CC)(C[NH2+]C(C)C)C[N@@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000163935053 186142848 /nfs/dbraw/zinc/14/28/48/186142848.db2.gz ZHFNWWMNOMITAP-HNNXBMFYSA-N 2 2 300.487 2.263 10 0 DEAELP CCC(CC)(C[NH2+]C(C)C)C[N@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000163935053 186142850 /nfs/dbraw/zinc/14/28/50/186142850.db2.gz ZHFNWWMNOMITAP-HNNXBMFYSA-N 2 2 300.487 2.263 10 0 DEAELP Cc1cc(N[C@@H](c2[nH+]ccn2C)C2CCOCC2)nc(C)[nH+]1 ZINC000284526780 539823088 /nfs/dbraw/zinc/82/30/88/539823088.db2.gz JKKCANFVMFTPDG-OAHLLOKOSA-N 2 2 301.394 2.407 10 0 DEAELP Cc1nc(N2CC[N@@H+]3CCC[C@@H]3C2)c(Br)c(C)[nH+]1 ZINC000322792476 539903356 /nfs/dbraw/zinc/90/33/56/539903356.db2.gz AABCFISEJOACHT-LLVKDONJSA-N 2 2 311.227 2.140 10 0 DEAELP Cc1nc(N2CC[N@H+]3CCC[C@@H]3C2)c(Br)c(C)[nH+]1 ZINC000322792476 539903358 /nfs/dbraw/zinc/90/33/58/539903358.db2.gz AABCFISEJOACHT-LLVKDONJSA-N 2 2 311.227 2.140 10 0 DEAELP [NH3+][C@H]1CCCN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C1 ZINC000333114408 539948559 /nfs/dbraw/zinc/94/85/59/539948559.db2.gz HBFMVXLSKZTKJP-LBPRGKRZSA-N 2 2 323.466 2.084 10 0 DEAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)c2ccco2)nc[nH+]1 ZINC000180574753 199178983 /nfs/dbraw/zinc/17/89/83/199178983.db2.gz GDSMTAPEGZDSIR-STQMWFEESA-N 2 2 301.394 2.431 10 0 DEAELP CCN(C)C(=O)CC[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180670763 199194584 /nfs/dbraw/zinc/19/45/84/199194584.db2.gz TXTWGPCCQXFNGD-AWEZNQCLSA-N 2 2 300.406 2.391 10 0 DEAELP O=C(Nc1ccc2[nH+]ccn2c1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000606583966 361023474 /nfs/dbraw/zinc/02/34/74/361023474.db2.gz VPXSRGDHLNECBH-HNNXBMFYSA-N 2 2 313.405 2.426 10 0 DEAELP c1cc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)n(CCc2ccccc2)n1 ZINC000621345280 364361129 /nfs/dbraw/zinc/36/11/29/364361129.db2.gz HWSNGPZLVCVVJI-KRWDZBQOSA-N 2 2 321.428 2.427 10 0 DEAELP CCC[NH2+][C@@H](CCCS(=O)(=O)CC)C1([NH+](C)C)CCCC1 ZINC000091638249 193082710 /nfs/dbraw/zinc/08/27/10/193082710.db2.gz QXVYUPJIIIYLAZ-HNNXBMFYSA-N 2 2 318.527 2.444 10 0 DEAELP C[N@@H+]1CCO[C@H](COc2c(Cl)cc(Cl)cc2CC[NH3+])C1 ZINC000092060603 193149060 /nfs/dbraw/zinc/14/90/60/193149060.db2.gz JWNUAGGNSODCBB-LBPRGKRZSA-N 2 2 319.232 2.204 10 0 DEAELP C[N@H+]1CCO[C@H](COc2c(Cl)cc(Cl)cc2CC[NH3+])C1 ZINC000092060603 193149061 /nfs/dbraw/zinc/14/90/61/193149061.db2.gz JWNUAGGNSODCBB-LBPRGKRZSA-N 2 2 319.232 2.204 10 0 DEAELP C[C@@H]1C[C@H]([NH+](C)Cc2cn(C)nc2-c2cccnc2)CC[N@@H+]1C ZINC000093644137 193282606 /nfs/dbraw/zinc/28/26/06/193282606.db2.gz VSMMUDPISLVJDK-RHSMWYFYSA-N 2 2 313.449 2.397 10 0 DEAELP C[C@@H]1C[C@H]([NH+](C)Cc2cn(C)nc2-c2cccnc2)CC[N@H+]1C ZINC000093644137 193282607 /nfs/dbraw/zinc/28/26/07/193282607.db2.gz VSMMUDPISLVJDK-RHSMWYFYSA-N 2 2 313.449 2.397 10 0 DEAELP C[C@@H]1C[C@H]([N@H+](C)Cc2cn(C)nc2-c2cccnc2)CC[NH+]1C ZINC000093644137 193282609 /nfs/dbraw/zinc/28/26/09/193282609.db2.gz VSMMUDPISLVJDK-RHSMWYFYSA-N 2 2 313.449 2.397 10 0 DEAELP C[C@@H]1C[C@H]([N@@H+](C)Cc2cn(C)nc2-c2cccnc2)CC[NH+]1C ZINC000093644137 193282611 /nfs/dbraw/zinc/28/26/11/193282611.db2.gz VSMMUDPISLVJDK-RHSMWYFYSA-N 2 2 313.449 2.397 10 0 DEAELP CCC(CC)([C@H]([NH2+]C)[C@@H]1CCC[C@H](S(C)(=O)=O)C1)[NH+](C)C ZINC000094642922 193389095 /nfs/dbraw/zinc/38/90/95/193389095.db2.gz DINDZUUQTUKIFU-QLFBSQMISA-N 2 2 318.527 2.298 10 0 DEAELP CCC[NH2+][C@@H]1CCCc2nc([C@H]3C[NH+]4CCN3CC4)sc21 ZINC000094511050 193376236 /nfs/dbraw/zinc/37/62/36/193376236.db2.gz NIBYVDAYDLLQQN-TZMCWYRMSA-N 2 2 306.479 2.192 10 0 DEAELP CC[NH2+]CCc1cn(CC(=O)Nc2ccc(Cl)cc2)c[nH+]1 ZINC000094529928 193377206 /nfs/dbraw/zinc/37/72/06/193377206.db2.gz ROOMQAPXYREUPB-UHFFFAOYSA-N 2 2 306.797 2.327 10 0 DEAELP CCOc1c(Cl)cc(C[NH2+]CC[NH2+]C[C@H](C)O)cc1Cl ZINC000020477762 182222384 /nfs/dbraw/zinc/22/23/84/182222384.db2.gz VOQKIIVSQYFYEZ-JTQLQIEISA-N 2 2 321.248 2.452 10 0 DEAELP CC(C)[NH2+]C[C@H](O)C[N@H+](C)Cc1cccc(Br)c1 ZINC000042440488 183270395 /nfs/dbraw/zinc/27/03/95/183270395.db2.gz GYEZEQOZEGHAQX-AWEZNQCLSA-N 2 2 315.255 2.240 10 0 DEAELP CC(C)[NH2+]C[C@H](O)C[N@@H+](C)Cc1cccc(Br)c1 ZINC000042440488 183270396 /nfs/dbraw/zinc/27/03/96/183270396.db2.gz GYEZEQOZEGHAQX-AWEZNQCLSA-N 2 2 315.255 2.240 10 0 DEAELP Nc1[nH+]c2cc(Br)ccc2n1CCn1cc[nH+]c1 ZINC000042542077 183282654 /nfs/dbraw/zinc/28/26/54/183282654.db2.gz CTZDAJJQTNGSMH-UHFFFAOYSA-N 2 2 306.167 2.278 10 0 DEAELP COCC[NH+](CCOC)[C@@H](c1ccc(Cl)cc1)[C@H](C)[NH3+] ZINC000042945356 183319727 /nfs/dbraw/zinc/31/97/27/183319727.db2.gz LXOYZUWAVDKHAU-SWLSCSKDSA-N 2 2 300.830 2.323 10 0 DEAELP COCC[N@H+](C)[C@@H](c1ccc(Br)cc1)[C@@H](C)[NH3+] ZINC000042954372 183321867 /nfs/dbraw/zinc/32/18/67/183321867.db2.gz YKLXJYZCEPAQLP-ZWNOBZJWSA-N 2 2 301.228 2.416 10 0 DEAELP COCC[N@@H+](C)[C@@H](c1ccc(Br)cc1)[C@@H](C)[NH3+] ZINC000042954372 183321869 /nfs/dbraw/zinc/32/18/69/183321869.db2.gz YKLXJYZCEPAQLP-ZWNOBZJWSA-N 2 2 301.228 2.416 10 0 DEAELP CC(C)[N@H+](CCO)[C@H](C[NH3+])c1cccc(Br)c1 ZINC000043021708 183329948 /nfs/dbraw/zinc/32/99/48/183329948.db2.gz JHJGRGGLWGXVBV-CYBMUJFWSA-N 2 2 301.228 2.152 10 0 DEAELP CC(C)[N@@H+](CCO)[C@H](C[NH3+])c1cccc(Br)c1 ZINC000043021708 183329950 /nfs/dbraw/zinc/32/99/50/183329950.db2.gz JHJGRGGLWGXVBV-CYBMUJFWSA-N 2 2 301.228 2.152 10 0 DEAELP CC[C@@H]([NH3+])[C@H](c1ccccc1Cl)[NH+]1CCC(C(N)=O)CC1 ZINC000043051061 183333024 /nfs/dbraw/zinc/33/30/24/183333024.db2.gz NEJRQMQAZHCYCB-CABCVRRESA-N 2 2 309.841 2.316 10 0 DEAELP CC[C@@H]([NH3+])[C@H](c1ccc(C)s1)[NH+]1CCC(C(=O)NC)CC1 ZINC000043240660 183345769 /nfs/dbraw/zinc/34/57/69/183345769.db2.gz PWZUSQANMRRUOY-UKRRQHHQSA-N 2 2 309.479 2.293 10 0 DEAELP CCn1c(C[NH3+])nnc1SCc1cn2cc(Cl)ccc2[nH+]1 ZINC000109404852 194261056 /nfs/dbraw/zinc/26/10/56/194261056.db2.gz IMSGOZUGRDZDTC-UHFFFAOYSA-N 2 2 322.825 2.350 10 0 DEAELP CC1(C)Cc2nc(N3CCn4cc[nH+]c4C3)sc2[C@H]([NH3+])C1 ZINC000062327776 184231010 /nfs/dbraw/zinc/23/10/10/184231010.db2.gz VIEYQWOIZGHOMD-SNVBAGLBSA-N 2 2 303.435 2.332 10 0 DEAELP CC(C)[N@H+]1Cc2c[nH+]cn2[C@H](C(=O)NCc2cccs2)C1 ZINC000247964276 257112515 /nfs/dbraw/zinc/11/25/15/257112515.db2.gz AVQLDEMBABBWGL-AWEZNQCLSA-N 2 2 304.419 2.026 10 0 DEAELP CC(C)[N@@H+]1Cc2c[nH+]cn2[C@H](C(=O)NCc2cccs2)C1 ZINC000247964276 257112516 /nfs/dbraw/zinc/11/25/16/257112516.db2.gz AVQLDEMBABBWGL-AWEZNQCLSA-N 2 2 304.419 2.026 10 0 DEAELP c1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c2c(c1)OCCCO2 ZINC000563136175 292033513 /nfs/dbraw/zinc/03/35/13/292033513.db2.gz DZHZFEKICDGPES-SFHVURJKSA-N 2 2 302.418 2.423 10 0 DEAELP c1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c2c(c1)OCCCO2 ZINC000563136175 292033515 /nfs/dbraw/zinc/03/35/15/292033515.db2.gz DZHZFEKICDGPES-SFHVURJKSA-N 2 2 302.418 2.423 10 0 DEAELP O=C(NCc1ccc2c(c1)C[NH2+]C2)c1cccc(-n2cc[nH+]c2)c1 ZINC000188679808 145015468 /nfs/dbraw/zinc/01/54/68/145015468.db2.gz QICMEHZXNSWVDI-UHFFFAOYSA-N 2 2 318.380 2.406 10 0 DEAELP COC(=O)[C@H]1C[C@@H](c2ccccc2)C[N@H+](CC[NH2+]C(C)C)C1 ZINC000193476491 145086346 /nfs/dbraw/zinc/08/63/46/145086346.db2.gz CSPWRQUPJPKAEX-SJORKVTESA-N 2 2 304.434 2.263 10 0 DEAELP COC(=O)[C@H]1C[C@@H](c2ccccc2)C[N@@H+](CC[NH2+]C(C)C)C1 ZINC000193476491 145086348 /nfs/dbraw/zinc/08/63/48/145086348.db2.gz CSPWRQUPJPKAEX-SJORKVTESA-N 2 2 304.434 2.263 10 0 DEAELP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193628776 145087820 /nfs/dbraw/zinc/08/78/20/145087820.db2.gz QALDOOMNEMFQTL-MELADBBJSA-N 2 2 321.852 2.469 10 0 DEAELP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193628776 145087823 /nfs/dbraw/zinc/08/78/23/145087823.db2.gz QALDOOMNEMFQTL-MELADBBJSA-N 2 2 321.852 2.469 10 0 DEAELP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193628776 145087824 /nfs/dbraw/zinc/08/78/24/145087824.db2.gz QALDOOMNEMFQTL-MELADBBJSA-N 2 2 321.852 2.469 10 0 DEAELP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193628776 145087826 /nfs/dbraw/zinc/08/78/26/145087826.db2.gz QALDOOMNEMFQTL-MELADBBJSA-N 2 2 321.852 2.469 10 0 DEAELP Cc1cccc(NC(=O)[C@H](C)[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1C ZINC000193655927 145088759 /nfs/dbraw/zinc/08/87/59/145088759.db2.gz XPZXDJDWZSIIEG-HRCADAONSA-N 2 2 301.434 2.124 10 0 DEAELP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1C ZINC000193655927 145088760 /nfs/dbraw/zinc/08/87/60/145088760.db2.gz XPZXDJDWZSIIEG-HRCADAONSA-N 2 2 301.434 2.124 10 0 DEAELP Cc1cccc(NC(=O)[C@H](C)[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c1C ZINC000193655927 145088761 /nfs/dbraw/zinc/08/87/61/145088761.db2.gz XPZXDJDWZSIIEG-HRCADAONSA-N 2 2 301.434 2.124 10 0 DEAELP Cc1cccc(NC(=O)[C@H](C)[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c1C ZINC000193655927 145088762 /nfs/dbraw/zinc/08/87/62/145088762.db2.gz XPZXDJDWZSIIEG-HRCADAONSA-N 2 2 301.434 2.124 10 0 DEAELP Cc1nn(C)c2ncc(C[NH+](C)[C@H]3CC[N@H+](C)[C@@H](C)C3)cc12 ZINC000246788211 145114811 /nfs/dbraw/zinc/11/48/11/145114811.db2.gz OWVMBOCFKDALQH-WFASDCNBSA-N 2 2 301.438 2.191 10 0 DEAELP Cc1nn(C)c2ncc(C[NH+](C)[C@H]3CC[N@@H+](C)[C@@H](C)C3)cc12 ZINC000246788211 145114812 /nfs/dbraw/zinc/11/48/12/145114812.db2.gz OWVMBOCFKDALQH-WFASDCNBSA-N 2 2 301.438 2.191 10 0 DEAELP Cc1nn(C)c2ncc(C[N@@H+](C)[C@H]3CC[NH+](C)[C@@H](C)C3)cc12 ZINC000246788211 145114813 /nfs/dbraw/zinc/11/48/13/145114813.db2.gz OWVMBOCFKDALQH-WFASDCNBSA-N 2 2 301.438 2.191 10 0 DEAELP Cc1nn(C)c2ncc(C[N@H+](C)[C@H]3CC[NH+](C)[C@@H](C)C3)cc12 ZINC000246788211 145114814 /nfs/dbraw/zinc/11/48/14/145114814.db2.gz OWVMBOCFKDALQH-WFASDCNBSA-N 2 2 301.438 2.191 10 0 DEAELP CN(Cc1ccccc1)C(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000247970868 145145672 /nfs/dbraw/zinc/14/56/72/145145672.db2.gz HIDXTOKKTRABBB-QZTJIDSGSA-N 2 2 315.461 2.061 10 0 DEAELP CN(Cc1ccccc1)C(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000247970868 145145674 /nfs/dbraw/zinc/14/56/74/145145674.db2.gz HIDXTOKKTRABBB-QZTJIDSGSA-N 2 2 315.461 2.061 10 0 DEAELP CN(Cc1ccccc1)C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000247970868 145145676 /nfs/dbraw/zinc/14/56/76/145145676.db2.gz HIDXTOKKTRABBB-QZTJIDSGSA-N 2 2 315.461 2.061 10 0 DEAELP CN(Cc1ccccc1)C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000247970868 145145678 /nfs/dbraw/zinc/14/56/78/145145678.db2.gz HIDXTOKKTRABBB-QZTJIDSGSA-N 2 2 315.461 2.061 10 0 DEAELP Cc1ccc(CNC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000248169094 145149237 /nfs/dbraw/zinc/14/92/37/145149237.db2.gz UKEHDTAKSQNQMS-ZWKOTPCHSA-N 2 2 315.461 2.027 10 0 DEAELP Cc1ccc(CNC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000248169094 145149238 /nfs/dbraw/zinc/14/92/38/145149238.db2.gz UKEHDTAKSQNQMS-ZWKOTPCHSA-N 2 2 315.461 2.027 10 0 DEAELP Cc1ccc(CNC(=O)C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000248169094 145149240 /nfs/dbraw/zinc/14/92/40/145149240.db2.gz UKEHDTAKSQNQMS-ZWKOTPCHSA-N 2 2 315.461 2.027 10 0 DEAELP Cc1ccc(CNC(=O)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000248169094 145149241 /nfs/dbraw/zinc/14/92/41/145149241.db2.gz UKEHDTAKSQNQMS-ZWKOTPCHSA-N 2 2 315.461 2.027 10 0 DEAELP CC(C)[NH2+]CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000249028120 145176242 /nfs/dbraw/zinc/17/62/42/145176242.db2.gz LGOKTIFZCIHUJQ-RRFJBIMHSA-N 2 2 311.470 2.220 10 0 DEAELP CC(C)[NH2+]CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000249028120 145176244 /nfs/dbraw/zinc/17/62/44/145176244.db2.gz LGOKTIFZCIHUJQ-RRFJBIMHSA-N 2 2 311.470 2.220 10 0 DEAELP Cc1cccc(NC(=O)N2CC[NH+](C[C@@]3(C)CC[NH2+]C3)CC2)c1 ZINC000261729236 145221542 /nfs/dbraw/zinc/22/15/42/145221542.db2.gz GXTPQUJZBWCDHS-SFHVURJKSA-N 2 2 316.449 2.144 10 0 DEAELP c1sc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)nc1C1CC1 ZINC000261995500 145250653 /nfs/dbraw/zinc/25/06/53/145250653.db2.gz TZCUMPKSJBHTDZ-BFHYXJOUSA-N 2 2 307.463 2.267 10 0 DEAELP C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000262127103 145264514 /nfs/dbraw/zinc/26/45/14/145264514.db2.gz XVSNBTYYRJGTDZ-YJBOKZPZSA-N 2 2 303.450 2.137 10 0 DEAELP C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000262127103 145264517 /nfs/dbraw/zinc/26/45/17/145264517.db2.gz XVSNBTYYRJGTDZ-YJBOKZPZSA-N 2 2 303.450 2.137 10 0 DEAELP COc1ccc(C[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)c(OC)c1OC ZINC000262557389 145292674 /nfs/dbraw/zinc/29/26/74/145292674.db2.gz UMLHCLOGPAWTPU-CQSZACIVSA-N 2 2 308.422 2.272 10 0 DEAELP COc1ccc(C[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)c(OC)c1OC ZINC000262557389 145292677 /nfs/dbraw/zinc/29/26/77/145292677.db2.gz UMLHCLOGPAWTPU-CQSZACIVSA-N 2 2 308.422 2.272 10 0 DEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2nc(CC)cc(=O)[nH]2)C1 ZINC000120177475 401981314 /nfs/dbraw/zinc/98/13/14/401981314.db2.gz SBRIHCAKBDGFLS-CQSZACIVSA-N 2 2 315.421 2.341 10 0 DEAELP Cc1ccsc1CNC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123523963 402132474 /nfs/dbraw/zinc/13/24/74/402132474.db2.gz FRDCKYMKYYNBCD-ZIAGYGMSSA-N 2 2 309.479 2.087 10 0 DEAELP Cc1ccsc1CNC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123523963 402132478 /nfs/dbraw/zinc/13/24/78/402132478.db2.gz FRDCKYMKYYNBCD-ZIAGYGMSSA-N 2 2 309.479 2.087 10 0 DEAELP Cc1ccsc1CNC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123523963 402132482 /nfs/dbraw/zinc/13/24/82/402132482.db2.gz FRDCKYMKYYNBCD-ZIAGYGMSSA-N 2 2 309.479 2.087 10 0 DEAELP Cc1ccsc1CNC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123523963 402132486 /nfs/dbraw/zinc/13/24/86/402132486.db2.gz FRDCKYMKYYNBCD-ZIAGYGMSSA-N 2 2 309.479 2.087 10 0 DEAELP COc1cc([C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCOCC2)ccc1F ZINC000153903676 402179291 /nfs/dbraw/zinc/17/92/91/402179291.db2.gz FWQNUMFXJAGKEC-UONOGXRCSA-N 2 2 310.413 2.453 10 0 DEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1nc(N)c2ccccc2n1 ZINC000154571047 402218944 /nfs/dbraw/zinc/21/89/44/402218944.db2.gz OMDWDUAUYDDDTE-AWEZNQCLSA-N 2 2 322.416 2.382 10 0 DEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1nc(N)c2ccccc2n1 ZINC000154571047 402218945 /nfs/dbraw/zinc/21/89/45/402218945.db2.gz OMDWDUAUYDDDTE-AWEZNQCLSA-N 2 2 322.416 2.382 10 0 DEAELP C[NH+]1CCC(CNC(=O)[C@H]2C[C@@H]2C2CC2)([NH+]2CCCCC2)CC1 ZINC000177471912 402406823 /nfs/dbraw/zinc/40/68/23/402406823.db2.gz UPXSHSJTRWEVGO-SJORKVTESA-N 2 2 319.493 2.099 10 0 DEAELP [NH3+]CCCCCCC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000237981653 402429274 /nfs/dbraw/zinc/42/92/74/402429274.db2.gz SKJNCJYMLLNLBO-UHFFFAOYSA-N 2 2 304.438 2.076 10 0 DEAELP CC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2[nH+]ccn2CC(C)C)C1 ZINC000177882388 402442175 /nfs/dbraw/zinc/44/21/75/402442175.db2.gz NHEZBZSNLVDXEL-HNNXBMFYSA-N 2 2 321.469 2.022 10 0 DEAELP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NCc2[nH+]ccn2CC(C)C)C1 ZINC000177882388 402442176 /nfs/dbraw/zinc/44/21/76/402442176.db2.gz NHEZBZSNLVDXEL-HNNXBMFYSA-N 2 2 321.469 2.022 10 0 DEAELP CC(C)[NH+](CCNC(=O)N1CCC[C@H]1Cn1cc[nH+]c1)C(C)C ZINC000177344987 402393343 /nfs/dbraw/zinc/39/33/43/402393343.db2.gz PDTOETROCVFGIL-INIZCTEOSA-N 2 2 321.469 2.176 10 0 DEAELP O=C([C@H]1CCCn2cc[nH+]c21)N1CC[NH+](C2CCCCC2)CC1 ZINC000178195418 402470151 /nfs/dbraw/zinc/47/01/51/402470151.db2.gz BQLZJWKGZAPXTG-INIZCTEOSA-N 2 2 316.449 2.237 10 0 DEAELP Cn1ncc(Cl)c1C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000187123282 402483723 /nfs/dbraw/zinc/48/37/23/402483723.db2.gz ACWNVEYRRXCCCO-LBPRGKRZSA-N 2 2 305.813 2.403 10 0 DEAELP Cn1ncc(Cl)c1C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000187123282 402483724 /nfs/dbraw/zinc/48/37/24/402483724.db2.gz ACWNVEYRRXCCCO-LBPRGKRZSA-N 2 2 305.813 2.403 10 0 DEAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCS[C@@H](C)C3)c2cc1C ZINC000246086360 402508364 /nfs/dbraw/zinc/50/83/64/402508364.db2.gz FHLHDAMWQIXCJK-LSDHHAIUSA-N 2 2 319.474 2.451 10 0 DEAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCS[C@@H](C)C3)c2cc1C ZINC000246086360 402508366 /nfs/dbraw/zinc/50/83/66/402508366.db2.gz FHLHDAMWQIXCJK-LSDHHAIUSA-N 2 2 319.474 2.451 10 0 DEAELP CC[N@H+](CCCNC(=O)N1CC[C@H]([NH+](C)C)C1)c1ccccc1 ZINC000170826874 402529781 /nfs/dbraw/zinc/52/97/81/402529781.db2.gz MIVVACKLZGCYHZ-KRWDZBQOSA-N 2 2 318.465 2.249 10 0 DEAELP CC[N@@H+](CCCNC(=O)N1CC[C@H]([NH+](C)C)C1)c1ccccc1 ZINC000170826874 402529783 /nfs/dbraw/zinc/52/97/83/402529783.db2.gz MIVVACKLZGCYHZ-KRWDZBQOSA-N 2 2 318.465 2.249 10 0 DEAELP Cc1nc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cs1 ZINC000182581457 402701112 /nfs/dbraw/zinc/70/11/12/402701112.db2.gz DVWOJYQDASYNHO-SJPCQFCGSA-N 2 2 320.506 2.194 10 0 DEAELP Cc1nc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cs1 ZINC000182581457 402701116 /nfs/dbraw/zinc/70/11/16/402701116.db2.gz DVWOJYQDASYNHO-SJPCQFCGSA-N 2 2 320.506 2.194 10 0 DEAELP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3cn4cccnc4n3)C2)[nH+]1 ZINC000195516234 402849416 /nfs/dbraw/zinc/84/94/16/402849416.db2.gz MJHCUOZNQOCONF-HNNXBMFYSA-N 2 2 322.416 2.367 10 0 DEAELP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3cn4cccnc4n3)C2)[nH+]1 ZINC000195516234 402849418 /nfs/dbraw/zinc/84/94/18/402849418.db2.gz MJHCUOZNQOCONF-HNNXBMFYSA-N 2 2 322.416 2.367 10 0 DEAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCSC[C@@H]1CCO ZINC000361829850 403892104 /nfs/dbraw/zinc/89/21/04/403892104.db2.gz IVTMKEDLEGTDIG-KRWDZBQOSA-N 2 2 317.458 2.481 10 0 DEAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCSC[C@@H]1CCO ZINC000361829850 403892108 /nfs/dbraw/zinc/89/21/08/403892108.db2.gz IVTMKEDLEGTDIG-KRWDZBQOSA-N 2 2 317.458 2.481 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCC(C)(C)[NH+](C)C)C2 ZINC000370153384 404351597 /nfs/dbraw/zinc/35/15/97/404351597.db2.gz YTYJDBUGXYEMON-GFCCVEGCSA-N 2 2 306.454 2.094 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCC(C)(C)[NH+](C)C)CC2 ZINC000370153384 404351606 /nfs/dbraw/zinc/35/16/06/404351606.db2.gz YTYJDBUGXYEMON-GFCCVEGCSA-N 2 2 306.454 2.094 10 0 DEAELP c1nc(N2CCC[C@]3(CC[NH2+]C3)C2)cc(N2CCCCC2)[nH+]1 ZINC000420252262 405301020 /nfs/dbraw/zinc/30/10/20/405301020.db2.gz NOFDIBLQDFXESW-QGZVFWFLSA-N 2 2 301.438 2.047 10 0 DEAELP c1nc(N2CCCCC2)cc(N2CCC[C@]3(CC[NH2+]C3)C2)[nH+]1 ZINC000420252262 405301021 /nfs/dbraw/zinc/30/10/21/405301021.db2.gz NOFDIBLQDFXESW-QGZVFWFLSA-N 2 2 301.438 2.047 10 0 DEAELP CCN(CC[NH+]1CCCCCC1)C(=O)NCc1[nH+]ccn1CC ZINC000458977877 405675107 /nfs/dbraw/zinc/67/51/07/405675107.db2.gz CTZADHNVMWTUGH-UHFFFAOYSA-N 2 2 321.469 2.311 10 0 DEAELP CC(=O)[C@](C)(O)C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000567994863 406176044 /nfs/dbraw/zinc/17/60/44/406176044.db2.gz XEMHDOKKOIUDLZ-DOTOQJQBSA-N 2 2 324.490 2.150 10 0 DEAELP CC(=O)[C@](C)(O)C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000567994863 406176049 /nfs/dbraw/zinc/17/60/49/406176049.db2.gz XEMHDOKKOIUDLZ-DOTOQJQBSA-N 2 2 324.490 2.150 10 0 DEAELP CC(=O)[C@](C)(O)C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000567994863 406176055 /nfs/dbraw/zinc/17/60/55/406176055.db2.gz XEMHDOKKOIUDLZ-DOTOQJQBSA-N 2 2 324.490 2.150 10 0 DEAELP CC(=O)[C@](C)(O)C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000567994863 406176060 /nfs/dbraw/zinc/17/60/60/406176060.db2.gz XEMHDOKKOIUDLZ-DOTOQJQBSA-N 2 2 324.490 2.150 10 0 DEAELP Brc1cccc2c1C[C@@H]1[C@H]([NH2+][C@@H]3CCC[NH2+]C3)[C@H]21 ZINC000634997405 406390782 /nfs/dbraw/zinc/39/07/82/406390782.db2.gz KIKQJCQMLWBLQZ-PWFWHMEDSA-N 2 2 307.235 2.429 10 0 DEAELP C([NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)C1([C@H]2CCCCO2)CCC1 ZINC000635012518 406399798 /nfs/dbraw/zinc/39/97/98/406399798.db2.gz MVEWJYNALBJHKG-BRWVUGGUSA-N 2 2 308.466 2.082 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N(C)CCC[NH+](C)C)C2 ZINC000526009706 406533018 /nfs/dbraw/zinc/53/30/18/406533018.db2.gz NPGDKUQZRSHVQY-ZDUSSCGKSA-N 2 2 306.454 2.048 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N(C)CCC[NH+](C)C)CC2 ZINC000526009706 406533021 /nfs/dbraw/zinc/53/30/21/406533021.db2.gz NPGDKUQZRSHVQY-ZDUSSCGKSA-N 2 2 306.454 2.048 10 0 DEAELP CC[N@@H+]1CC[C@@H](CNc2nc(NC)[nH+]cc2Br)C1 ZINC000129891352 196083340 /nfs/dbraw/zinc/08/33/40/196083340.db2.gz RLJLYANEYMRVEN-VIFPVBQESA-N 2 2 314.231 2.035 10 0 DEAELP CC[N@H+]1CC[C@@H](CNc2nc(NC)[nH+]cc2Br)C1 ZINC000129891352 196083342 /nfs/dbraw/zinc/08/33/42/196083342.db2.gz RLJLYANEYMRVEN-VIFPVBQESA-N 2 2 314.231 2.035 10 0 DEAELP CCCN(CC[NH+](C)C)c1nc(NC)[nH+]cc1Br ZINC000132349482 196247881 /nfs/dbraw/zinc/24/78/81/196247881.db2.gz NXLMHLXSLXDZPY-UHFFFAOYSA-N 2 2 316.247 2.059 10 0 DEAELP CCNc1nc(NCC[N@H+](C)C2CC2)c(Br)c[nH+]1 ZINC000133067121 196308994 /nfs/dbraw/zinc/30/89/94/196308994.db2.gz QCSNRZMGDGWVNQ-UHFFFAOYSA-N 2 2 314.231 2.177 10 0 DEAELP CCNc1nc(NCC[N@@H+](C)C2CC2)c(Br)c[nH+]1 ZINC000133067121 196308995 /nfs/dbraw/zinc/30/89/95/196308995.db2.gz QCSNRZMGDGWVNQ-UHFFFAOYSA-N 2 2 314.231 2.177 10 0 DEAELP CC[C@H](CCO)[NH2+][C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000134382631 196384201 /nfs/dbraw/zinc/38/42/01/196384201.db2.gz HAZWMKQOVAAAJC-OLZOCXBDSA-N 2 2 301.228 2.200 10 0 DEAELP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)C1 ZINC000261962795 287345198 /nfs/dbraw/zinc/34/51/98/287345198.db2.gz PSBSHNKOCUNRSM-TVFCKZIOSA-N 3 2 323.525 2.244 10 0 DEAELP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)C1 ZINC000261962795 287345199 /nfs/dbraw/zinc/34/51/99/287345199.db2.gz PSBSHNKOCUNRSM-TVFCKZIOSA-N 3 2 323.525 2.244 10 0 DEAELP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+][C@H]3CCC[NH2+]CC3)C2)cc1 ZINC000390619069 269098258 /nfs/dbraw/zinc/09/82/58/269098258.db2.gz YZNGCNAMQAKGEA-RBUKOAKNSA-N 3 2 317.477 2.009 10 0 DEAELP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+][C@H]3CCC[NH2+]CC3)C2)cc1 ZINC000390619069 269098259 /nfs/dbraw/zinc/09/82/59/269098259.db2.gz YZNGCNAMQAKGEA-RBUKOAKNSA-N 3 2 317.477 2.009 10 0 DEAELP c1[nH+]c([C@H]2CCC[N@@H+](C[C@@H]3CCC[NH2+]C3)C2)n2c1CCCC2 ZINC000261814008 275075673 /nfs/dbraw/zinc/07/56/73/275075673.db2.gz PZKSCXJVZZNGEA-CVEARBPZSA-N 3 2 302.466 2.398 10 0 DEAELP c1[nH+]c([C@H]2CCC[N@H+](C[C@@H]3CCC[NH2+]C3)C2)n2c1CCCC2 ZINC000261814008 275075675 /nfs/dbraw/zinc/07/56/75/275075675.db2.gz PZKSCXJVZZNGEA-CVEARBPZSA-N 3 2 302.466 2.398 10 0 DEAELP C[C@H](CCn1cccn1)[NH2+][C@@H](Cc1ccccc1)C[NH+](C)C ZINC000158672721 278176719 /nfs/dbraw/zinc/17/67/19/278176719.db2.gz VJUJQBKZEKAUBG-AEFFLSMTSA-N 2 2 300.450 2.424 10 0 DEAELP C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261879757 279214403 /nfs/dbraw/zinc/21/44/03/279214403.db2.gz UNJDDYCWUJWGQG-JJRVBVJISA-N 2 2 315.461 2.412 10 0 DEAELP C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261879757 279214406 /nfs/dbraw/zinc/21/44/06/279214406.db2.gz UNJDDYCWUJWGQG-JJRVBVJISA-N 2 2 315.461 2.412 10 0 DEAELP C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261879754 289328705 /nfs/dbraw/zinc/32/87/05/289328705.db2.gz UNJDDYCWUJWGQG-CPUCHLNUSA-N 2 2 315.461 2.412 10 0 DEAELP C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261879754 289328708 /nfs/dbraw/zinc/32/87/08/289328708.db2.gz UNJDDYCWUJWGQG-CPUCHLNUSA-N 2 2 315.461 2.412 10 0 DEAELP C[C@H]([NH2+]Cc1cocn1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000192308118 289983351 /nfs/dbraw/zinc/98/33/51/289983351.db2.gz DKWWXGKRPHAQKZ-ZDUSSCGKSA-N 2 2 318.396 2.416 10 0 DEAELP C[C@@H](C[NH2+]Cc1ccc2c(c1)sc(=O)n2C)Cn1cc[nH+]c1 ZINC000192512003 341872493 /nfs/dbraw/zinc/87/24/93/341872493.db2.gz ZKJIYHFDVNQOSR-LBPRGKRZSA-N 2 2 316.430 2.222 10 0 DEAELP CC(C)Cn1cc[nH+]c1CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262261689 534909672 /nfs/dbraw/zinc/90/96/72/534909672.db2.gz JKUDLYFMWOMIDJ-KWOWKCNFSA-N 2 2 318.465 2.309 10 0 DEAELP CCOc1ccccc1NC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246490957 535522747 /nfs/dbraw/zinc/52/27/47/535522747.db2.gz ANHVNIWMLQAQCT-LSDHHAIUSA-N 2 2 319.449 2.438 10 0 DEAELP CCOc1ccccc1NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246490957 535522752 /nfs/dbraw/zinc/52/27/52/535522752.db2.gz ANHVNIWMLQAQCT-LSDHHAIUSA-N 2 2 319.449 2.438 10 0 DEAELP CCOc1ccccc1NC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246490957 535522756 /nfs/dbraw/zinc/52/27/56/535522756.db2.gz ANHVNIWMLQAQCT-LSDHHAIUSA-N 2 2 319.449 2.438 10 0 DEAELP CCOc1ccccc1NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246490957 535522762 /nfs/dbraw/zinc/52/27/62/535522762.db2.gz ANHVNIWMLQAQCT-LSDHHAIUSA-N 2 2 319.449 2.438 10 0 DEAELP CCOc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261758025 535531710 /nfs/dbraw/zinc/53/17/10/535531710.db2.gz LORHHMXNHUVFDJ-CJNGLKHVSA-N 2 2 319.449 2.472 10 0 DEAELP CCOc1ccccc1NC(=O)[C@@H](C)[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261758025 535531716 /nfs/dbraw/zinc/53/17/16/535531716.db2.gz LORHHMXNHUVFDJ-CJNGLKHVSA-N 2 2 319.449 2.472 10 0 DEAELP CCn1c(C)nn(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1=S ZINC000176080970 624617701 /nfs/dbraw/zinc/61/77/01/624617701.db2.gz RZZUSDOTUBLSGQ-AWEZNQCLSA-N 2 2 320.466 2.369 10 0 DEAELP CCn1c(C)nn(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1=S ZINC000176080970 624617703 /nfs/dbraw/zinc/61/77/03/624617703.db2.gz RZZUSDOTUBLSGQ-AWEZNQCLSA-N 2 2 320.466 2.369 10 0 DEAELP O[C@@H](C[NH+]1CCC(Nc2cccc[nH+]2)CC1)CC(F)(F)F ZINC000526057020 639568917 /nfs/dbraw/zinc/56/89/17/639568917.db2.gz WMZFXXZKQSTCOO-GFCCVEGCSA-N 2 2 303.328 2.271 10 0 DEAELP CC(C)(C)OC(=O)N1CC(C[NH2+]CC[NH+]2CCCCCC2)C1 ZINC000710835470 1086689277 /nfs/dbraw/zinc/68/92/77/1086689277.db2.gz CVAXGSMQFXDBIJ-UHFFFAOYSA-N 2 2 311.470 2.319 10 0 DEAELP C[N@H+](Cc1cc(Br)cs1)C[C@@]1([NH3+])CCOC1 ZINC000082986641 185210443 /nfs/dbraw/zinc/21/04/43/185210443.db2.gz SDYCYIUZHLFHBO-NSHDSACASA-N 2 2 305.241 2.060 10 0 DEAELP C[N@@H+](Cc1cc(Br)cs1)C[C@@]1([NH3+])CCOC1 ZINC000082986641 185210444 /nfs/dbraw/zinc/21/04/44/185210444.db2.gz SDYCYIUZHLFHBO-NSHDSACASA-N 2 2 305.241 2.060 10 0 DEAELP [NH3+]C[C@H]([NH2+]C[C@@H]1CCCO1)c1ccccc1OC(F)(F)F ZINC000087928559 185237763 /nfs/dbraw/zinc/23/77/63/185237763.db2.gz PXOMHDBGJNOACU-JQWIXIFHSA-N 2 2 304.312 2.354 10 0 DEAELP COCCC[C@@H]([NH3+])C[NH2+]Cc1sccc1Br ZINC000088006186 185238126 /nfs/dbraw/zinc/23/81/26/185238126.db2.gz OYKXPHPKRVGRBB-SECBINFHSA-N 2 2 307.257 2.354 10 0 DEAELP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+][C@@H]3CCCOC3)C2)cc1 ZINC000191835603 539703726 /nfs/dbraw/zinc/70/37/26/539703726.db2.gz DNEOCZZVLJFULS-QZTJIDSGSA-N 2 2 304.434 2.046 10 0 DEAELP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+][C@@H]3CCCOC3)C2)cc1 ZINC000191835603 539703731 /nfs/dbraw/zinc/70/37/31/539703731.db2.gz DNEOCZZVLJFULS-QZTJIDSGSA-N 2 2 304.434 2.046 10 0 DEAELP [NH3+]C[C@H]([NH2+]C[C@H]1CCCO1)c1cc(Br)cs1 ZINC000083774354 192383250 /nfs/dbraw/zinc/38/32/50/192383250.db2.gz NBSGKZQJYLGWFH-ZJUUUORDSA-N 2 2 305.241 2.279 10 0 DEAELP CCOC(=O)[C@@]12C[N@H+](Cc3ccccc3)C[C@H]1C[NH+](C)CC2 ZINC000004203254 181084503 /nfs/dbraw/zinc/08/45/03/181084503.db2.gz LRDMAULBYRDLTC-AEFFLSMTSA-N 2 2 302.418 2.003 10 0 DEAELP CCOC(=O)[C@@]12C[N@@H+](Cc3ccccc3)C[C@H]1C[NH+](C)CC2 ZINC000004203254 181084505 /nfs/dbraw/zinc/08/45/05/181084505.db2.gz LRDMAULBYRDLTC-AEFFLSMTSA-N 2 2 302.418 2.003 10 0 DEAELP CCOC(=O)[C@@]12C[NH+](Cc3ccccc3)C[C@H]1C[N@H+](C)CC2 ZINC000004203254 181084506 /nfs/dbraw/zinc/08/45/06/181084506.db2.gz LRDMAULBYRDLTC-AEFFLSMTSA-N 2 2 302.418 2.003 10 0 DEAELP CCOC(=O)[C@@]12C[NH+](Cc3ccccc3)C[C@H]1C[N@@H+](C)CC2 ZINC000004203254 181084508 /nfs/dbraw/zinc/08/45/08/181084508.db2.gz LRDMAULBYRDLTC-AEFFLSMTSA-N 2 2 302.418 2.003 10 0 DEAELP C[C@H]([NH2+]CC1([NH+](C)C)CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400512737 283157719 /nfs/dbraw/zinc/15/77/19/283157719.db2.gz MAFNHFLMXBKEDH-KBPBESRZSA-N 2 2 311.470 2.316 10 0 DEAELP CC(C)OC[C@@H](O)C[NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000386733737 356698448 /nfs/dbraw/zinc/69/84/48/356698448.db2.gz WBUNGDLZFHDFHV-SFHVURJKSA-N 2 2 320.477 2.417 10 0 DEAELP CC(C)OC[C@@H](O)C[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000386733737 356698454 /nfs/dbraw/zinc/69/84/54/356698454.db2.gz WBUNGDLZFHDFHV-SFHVURJKSA-N 2 2 320.477 2.417 10 0 DEAELP c1cn(Cc2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)c[nH+]1 ZINC000581700252 357232016 /nfs/dbraw/zinc/23/20/16/357232016.db2.gz CPKXYPZGORFREK-UHFFFAOYSA-N 2 2 306.329 2.226 10 0 DEAELP CCOC(=O)c1ccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)o1 ZINC000188411776 200242418 /nfs/dbraw/zinc/24/24/18/200242418.db2.gz OARIDMMZQKKJSY-ZDUSSCGKSA-N 2 2 303.362 2.317 10 0 DEAELP CCOC(=O)c1ccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)o1 ZINC000188411776 200242419 /nfs/dbraw/zinc/24/24/19/200242419.db2.gz OARIDMMZQKKJSY-ZDUSSCGKSA-N 2 2 303.362 2.317 10 0 DEAELP O=C(c1cccc(C[NH+]2CCCC2)c1)N1CC(n2cc[nH+]c2)C1 ZINC000603917108 360873036 /nfs/dbraw/zinc/87/30/36/360873036.db2.gz BVNZVBULQWCUPP-UHFFFAOYSA-N 2 2 310.401 2.176 10 0 DEAELP CCC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000606582233 361022281 /nfs/dbraw/zinc/02/22/81/361022281.db2.gz HVDLMMIPAGYXQE-CYBMUJFWSA-N 2 2 301.394 2.188 10 0 DEAELP CCC[N@H+]1CC[C@H](CNC(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000606582233 361022284 /nfs/dbraw/zinc/02/22/84/361022284.db2.gz HVDLMMIPAGYXQE-CYBMUJFWSA-N 2 2 301.394 2.188 10 0 DEAELP c1ccc(C[NH+]2CCC([NH2+]CC[C@@H]3CCCOC3)CC2)nc1 ZINC000527736402 283701180 /nfs/dbraw/zinc/70/11/80/283701180.db2.gz FRMCYAXRHOHSRC-INIZCTEOSA-N 2 2 303.450 2.452 10 0 DEAELP C[N@H+](Cc1cccc(Cl)c1)[C@H](C[NH3+])CC(=O)NC(C)(C)C ZINC000091321121 193039863 /nfs/dbraw/zinc/03/98/63/193039863.db2.gz LXACOWCWQSANDP-AWEZNQCLSA-N 2 2 311.857 2.404 10 0 DEAELP C[N@@H+](Cc1cccc(Cl)c1)[C@H](C[NH3+])CC(=O)NC(C)(C)C ZINC000091321121 193039864 /nfs/dbraw/zinc/03/98/64/193039864.db2.gz LXACOWCWQSANDP-AWEZNQCLSA-N 2 2 311.857 2.404 10 0 DEAELP CC[NH2+][C@H](Cc1c(Cl)c(CC)nn1C)C(C)(C)[NH+](C)C ZINC000091528985 193069299 /nfs/dbraw/zinc/06/92/99/193069299.db2.gz DBLNSNKTSGYHPM-CYBMUJFWSA-N 2 2 300.878 2.497 10 0 DEAELP O=C(C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)NC1CCCCC1 ZINC000624483803 365438919 /nfs/dbraw/zinc/43/89/19/365438919.db2.gz IJTLAXGOMRYZNF-OAHLLOKOSA-N 2 2 316.449 2.264 10 0 DEAELP O=C(C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)NC1CCCCC1 ZINC000624483803 365438923 /nfs/dbraw/zinc/43/89/23/365438923.db2.gz IJTLAXGOMRYZNF-OAHLLOKOSA-N 2 2 316.449 2.264 10 0 DEAELP CC[C@@H]([NH3+])Cc1cc(Cl)ccc1OC[C@H]1C[N@H+](C)CCO1 ZINC000092060658 193149696 /nfs/dbraw/zinc/14/96/96/193149696.db2.gz VYEZJKZGXCUSFW-HUUCEWRRSA-N 2 2 312.841 2.329 10 0 DEAELP CC[C@@H]([NH3+])Cc1cc(Cl)ccc1OC[C@H]1C[N@@H+](C)CCO1 ZINC000092060658 193149697 /nfs/dbraw/zinc/14/96/97/193149697.db2.gz VYEZJKZGXCUSFW-HUUCEWRRSA-N 2 2 312.841 2.329 10 0 DEAELP COCC[NH2+]C[C@H]1CCC[N@@H+]1C[C@@H]1Cc2ccccc2S1 ZINC000092263091 193182779 /nfs/dbraw/zinc/18/27/79/193182779.db2.gz SQSRFLNZDBTDPH-CVEARBPZSA-N 2 2 306.475 2.404 10 0 DEAELP COCC[NH2+]C[C@H]1CCC[N@H+]1C[C@@H]1Cc2ccccc2S1 ZINC000092263091 193182780 /nfs/dbraw/zinc/18/27/80/193182780.db2.gz SQSRFLNZDBTDPH-CVEARBPZSA-N 2 2 306.475 2.404 10 0 DEAELP C[N@H+](CC(=O)N1CCC[C@H]1c1cccs1)CC(C)(C)C[NH3+] ZINC000093874361 193322524 /nfs/dbraw/zinc/32/25/24/193322524.db2.gz HYGAXTWYXHPOFM-ZDUSSCGKSA-N 2 2 309.479 2.328 10 0 DEAELP C[N@@H+](CC(=O)N1CCC[C@H]1c1cccs1)CC(C)(C)C[NH3+] ZINC000093874361 193322526 /nfs/dbraw/zinc/32/25/26/193322526.db2.gz HYGAXTWYXHPOFM-ZDUSSCGKSA-N 2 2 309.479 2.328 10 0 DEAELP CC[NH2+][C@H](Cc1ccc(F)cc1Cl)[C@H]1C[N@H+](C)CCN1C ZINC000093895018 193324452 /nfs/dbraw/zinc/32/44/52/193324452.db2.gz KEQVPKLEMWCCAE-HZPDHXFCSA-N 2 2 313.848 2.246 10 0 DEAELP CC[NH2+][C@H](Cc1ccc(F)cc1Cl)[C@H]1C[N@@H+](C)CCN1C ZINC000093895018 193324454 /nfs/dbraw/zinc/32/44/54/193324454.db2.gz KEQVPKLEMWCCAE-HZPDHXFCSA-N 2 2 313.848 2.246 10 0 DEAELP C[NH2+][C@H](c1ccccc1C(F)(F)F)[C@@H]1C[N@H+](C)CCN1C ZINC000093894704 193324751 /nfs/dbraw/zinc/32/47/51/193324751.db2.gz QACYFNSDJBGOEE-UONOGXRCSA-N 2 2 301.356 2.212 10 0 DEAELP C[NH2+][C@H](c1ccccc1C(F)(F)F)[C@@H]1C[N@@H+](C)CCN1C ZINC000093894704 193324753 /nfs/dbraw/zinc/32/47/53/193324753.db2.gz QACYFNSDJBGOEE-UONOGXRCSA-N 2 2 301.356 2.212 10 0 DEAELP C[NH2+][C@@H](Cc1ccc(Cl)cc1Cl)[C@@H]1C[NH+]2CCN1CC2 ZINC000094509281 193375977 /nfs/dbraw/zinc/37/59/77/193375977.db2.gz VISLGOLUGQCNRQ-GJZGRUSLSA-N 2 2 314.260 2.124 10 0 DEAELP C[NH2+][C@H](Cc1ccc(Cl)cc1Cl)[C@H]1C[NH+]2CCN1CC2 ZINC000094509284 193376176 /nfs/dbraw/zinc/37/61/76/193376176.db2.gz VISLGOLUGQCNRQ-HUUCEWRRSA-N 2 2 314.260 2.124 10 0 DEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)Nc2cc(C)on2)C1 ZINC000105896337 194161895 /nfs/dbraw/zinc/16/18/95/194161895.db2.gz PQRXAUNMKGHOFF-ZDUSSCGKSA-N 2 2 317.393 2.018 10 0 DEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)Nc2cc(C)on2)C1 ZINC000105896337 194161896 /nfs/dbraw/zinc/16/18/96/194161896.db2.gz PQRXAUNMKGHOFF-ZDUSSCGKSA-N 2 2 317.393 2.018 10 0 DEAELP CC(C)[NH+](CCNC(=O)NCc1ccc[nH+]c1N(C)C)C(C)C ZINC000047684236 183602425 /nfs/dbraw/zinc/60/24/25/183602425.db2.gz HTKRNRRTLXOVNF-UHFFFAOYSA-N 2 2 321.469 2.066 10 0 DEAELP C[N@H+](C[C@@H]1CCCOC1)[C@@H](C[NH3+])c1cc(F)c(F)c(F)c1 ZINC000111158295 194397767 /nfs/dbraw/zinc/39/77/67/194397767.db2.gz XFBQQRRTOBCBAS-HZMBPMFUSA-N 2 2 302.340 2.462 10 0 DEAELP C[N@@H+](C[C@@H]1CCCOC1)[C@@H](C[NH3+])c1cc(F)c(F)c(F)c1 ZINC000111158295 194397769 /nfs/dbraw/zinc/39/77/69/194397769.db2.gz XFBQQRRTOBCBAS-HZMBPMFUSA-N 2 2 302.340 2.462 10 0 DEAELP CN(Cc1[nH]c2ccc(N)cc2[nH+]1)Cc1[nH]c2ccc(N)cc2[nH+]1 ZINC000059351055 184137214 /nfs/dbraw/zinc/13/72/14/184137214.db2.gz WHUBSGGXYCAUPV-UHFFFAOYSA-N 2 2 321.388 2.236 10 0 DEAELP C[NH2+][C@@H]1CCCCC[C@H]1C[NH+]1CCN(CC(F)(F)F)CC1 ZINC000061947741 184197983 /nfs/dbraw/zinc/19/79/83/184197983.db2.gz MRSHISGUQDKDLR-UONOGXRCSA-N 2 2 307.404 2.335 10 0 DEAELP CC(C)(C)[NH2+]Cc1nc(CN2CCn3cc[nH+]c3C2)cs1 ZINC000062325496 184230543 /nfs/dbraw/zinc/23/05/43/184230543.db2.gz UUHVMQAJMFDPAC-UHFFFAOYSA-N 2 2 305.451 2.244 10 0 DEAELP CCO[C@@H](C[NH3+])C[N@H+](C)Cc1ccccc1Br ZINC000062739660 184252236 /nfs/dbraw/zinc/25/22/36/184252236.db2.gz JCZRHDADRBYOMY-LBPRGKRZSA-N 2 2 301.228 2.245 10 0 DEAELP CCO[C@@H](C[NH3+])C[N@@H+](C)Cc1ccccc1Br ZINC000062739660 184252238 /nfs/dbraw/zinc/25/22/38/184252238.db2.gz JCZRHDADRBYOMY-LBPRGKRZSA-N 2 2 301.228 2.245 10 0 DEAELP CC[NH+](CC)c1ccc(NS(=O)(=O)CC[NH2+]C(C)C)cc1 ZINC000062996935 184264747 /nfs/dbraw/zinc/26/47/47/184264747.db2.gz WHZOWCUGYHCUSI-UHFFFAOYSA-N 2 2 313.467 2.273 10 0 DEAELP [NH3+]CCC[NH+]1CCN(Cc2cccc(Cl)c2Cl)CC1 ZINC000066143065 184392991 /nfs/dbraw/zinc/39/29/91/184392991.db2.gz XQJBNNUDGDVTLL-UHFFFAOYSA-N 2 2 302.249 2.460 10 0 DEAELP C[NH2+]Cc1cc(C[NH+]2CCN(CC(F)(F)F)CC2)c(C)s1 ZINC000122990377 195530088 /nfs/dbraw/zinc/53/00/88/195530088.db2.gz QLKUDDHOVAAMPF-UHFFFAOYSA-N 2 2 321.412 2.456 10 0 DEAELP CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000261880223 285375306 /nfs/dbraw/zinc/37/53/06/285375306.db2.gz SZUYHMYZKJBIJM-OWYVNGRQSA-N 2 2 313.804 2.078 10 0 DEAELP CC[N@H+]1CC[C@@H](NC(=O)[C@@H](C)[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000261880223 285375307 /nfs/dbraw/zinc/37/53/07/285375307.db2.gz SZUYHMYZKJBIJM-OWYVNGRQSA-N 2 2 313.804 2.078 10 0 DEAELP c1cn(CCC[N@@H+]2CCO[C@@H](COc3ccccc3)C2)c[nH+]1 ZINC000361990029 133203850 /nfs/dbraw/zinc/20/38/50/133203850.db2.gz ZLUSWLSPXMMRTB-QGZVFWFLSA-N 2 2 301.390 2.053 10 0 DEAELP c1cn(CCC[N@H+]2CCO[C@@H](COc3ccccc3)C2)c[nH+]1 ZINC000361990029 133203851 /nfs/dbraw/zinc/20/38/51/133203851.db2.gz ZLUSWLSPXMMRTB-QGZVFWFLSA-N 2 2 301.390 2.053 10 0 DEAELP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(C)OCCCO1 ZINC000190644059 145045696 /nfs/dbraw/zinc/04/56/96/145045696.db2.gz VOVITRLYMZJLPR-RDJZCZTQSA-N 2 2 319.449 2.035 10 0 DEAELP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(C)OCCCO1 ZINC000190644059 145045698 /nfs/dbraw/zinc/04/56/98/145045698.db2.gz VOVITRLYMZJLPR-RDJZCZTQSA-N 2 2 319.449 2.035 10 0 DEAELP COC(=O)c1occc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000193079772 145082665 /nfs/dbraw/zinc/08/26/65/145082665.db2.gz HKHXAOGFJNLFNW-UHFFFAOYSA-N 2 2 306.406 2.374 10 0 DEAELP FC(F)(F)Cn1cc[nH+]c1CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246239250 145095740 /nfs/dbraw/zinc/09/57/40/145095740.db2.gz UPEWLKDUPCFISM-LBPRGKRZSA-N 2 2 302.344 2.116 10 0 DEAELP FC(F)(F)Cn1cc[nH+]c1CN1CC[N@H+]2CCCC[C@H]2C1 ZINC000246239250 145095742 /nfs/dbraw/zinc/09/57/42/145095742.db2.gz UPEWLKDUPCFISM-LBPRGKRZSA-N 2 2 302.344 2.116 10 0 DEAELP c1c(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)nc2ncccn12 ZINC000247056600 145125156 /nfs/dbraw/zinc/12/51/56/145125156.db2.gz ZMYFPNMAZGZBDN-WMLDXEAASA-N 2 2 311.433 2.178 10 0 DEAELP c1c(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)nc2ncccn12 ZINC000247056600 145125158 /nfs/dbraw/zinc/12/51/58/145125158.db2.gz ZMYFPNMAZGZBDN-WMLDXEAASA-N 2 2 311.433 2.178 10 0 DEAELP c1c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nc2ncccn12 ZINC000247056600 145125160 /nfs/dbraw/zinc/12/51/60/145125160.db2.gz ZMYFPNMAZGZBDN-WMLDXEAASA-N 2 2 311.433 2.178 10 0 DEAELP c1c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)nc2ncccn12 ZINC000247056600 145125162 /nfs/dbraw/zinc/12/51/62/145125162.db2.gz ZMYFPNMAZGZBDN-WMLDXEAASA-N 2 2 311.433 2.178 10 0 DEAELP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cnn(-c4ccccc4)n3)CC[C@H]21 ZINC000248161576 145149395 /nfs/dbraw/zinc/14/93/95/145149395.db2.gz SGFNAQZOKAWWDR-CRAIPNDOSA-N 2 2 311.433 2.183 10 0 DEAELP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cnn(-c4ccccc4)n3)CC[C@H]21 ZINC000248161576 145149396 /nfs/dbraw/zinc/14/93/96/145149396.db2.gz SGFNAQZOKAWWDR-CRAIPNDOSA-N 2 2 311.433 2.183 10 0 DEAELP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cnn(-c4ccccc4)n3)CC[C@H]21 ZINC000248161576 145149398 /nfs/dbraw/zinc/14/93/98/145149398.db2.gz SGFNAQZOKAWWDR-CRAIPNDOSA-N 2 2 311.433 2.183 10 0 DEAELP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cnn(-c4ccccc4)n3)CC[C@H]21 ZINC000248161576 145149399 /nfs/dbraw/zinc/14/93/99/145149399.db2.gz SGFNAQZOKAWWDR-CRAIPNDOSA-N 2 2 311.433 2.183 10 0 DEAELP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](C[C@H]2CC3(CCC3)C(=O)O2)C1 ZINC000248877683 145171540 /nfs/dbraw/zinc/17/15/40/145171540.db2.gz OLJWULHSMVFJMQ-HUUCEWRRSA-N 2 2 317.433 2.160 10 0 DEAELP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](C[C@H]2CC3(CCC3)C(=O)O2)C1 ZINC000248877683 145171541 /nfs/dbraw/zinc/17/15/41/145171541.db2.gz OLJWULHSMVFJMQ-HUUCEWRRSA-N 2 2 317.433 2.160 10 0 DEAELP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1[nH+]ccc(OC)c1OC ZINC000249046508 145176623 /nfs/dbraw/zinc/17/66/23/145176623.db2.gz HKOBBROTSNNUOC-KBPBESRZSA-N 2 2 305.422 2.157 10 0 DEAELP CC[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1[nH+]ccc(OC)c1OC ZINC000249046508 145176625 /nfs/dbraw/zinc/17/66/25/145176625.db2.gz HKOBBROTSNNUOC-KBPBESRZSA-N 2 2 305.422 2.157 10 0 DEAELP Cc1cccn2c(CN3CC[NH2+]C[C@@H]3c3cccnc3)c[nH+]c12 ZINC000261817662 145230090 /nfs/dbraw/zinc/23/00/90/145230090.db2.gz XOPCYKSJVORGJQ-QGZVFWFLSA-N 2 2 307.401 2.184 10 0 DEAELP Cc1ccc(CNC(=O)[C@@H](C)[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000261828752 145231054 /nfs/dbraw/zinc/23/10/54/145231054.db2.gz YNNCOBDBWCEATP-GDBMZVCRSA-N 2 2 303.450 2.059 10 0 DEAELP Cc1ccc(CNC(=O)[C@@H](C)[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000261828752 145231057 /nfs/dbraw/zinc/23/10/57/145231057.db2.gz YNNCOBDBWCEATP-GDBMZVCRSA-N 2 2 303.450 2.059 10 0 DEAELP C[C@@H]1CCC[C@H](NC(=O)C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1C ZINC000261859921 145234316 /nfs/dbraw/zinc/23/43/16/145234316.db2.gz FPPWTLOOLQMPMP-DRNSISSVSA-N 2 2 307.482 2.142 10 0 DEAELP C[C@@H]1CCC[C@H](NC(=O)C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1C ZINC000261859921 145234318 /nfs/dbraw/zinc/23/43/18/145234318.db2.gz FPPWTLOOLQMPMP-DRNSISSVSA-N 2 2 307.482 2.142 10 0 DEAELP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1)c1ccc(F)cc1 ZINC000261883664 145236808 /nfs/dbraw/zinc/23/68/08/145236808.db2.gz UVSNKKZSXANXLS-HEHGZKQESA-N 2 2 321.440 2.451 10 0 DEAELP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1)c1ccc(F)cc1 ZINC000261883664 145236811 /nfs/dbraw/zinc/23/68/11/145236811.db2.gz UVSNKKZSXANXLS-HEHGZKQESA-N 2 2 321.440 2.451 10 0 DEAELP CCC[N@H+](CC(=O)Nc1ccccc1OC)C[C@@]1(C)CC[NH2+]C1 ZINC000261892518 145238577 /nfs/dbraw/zinc/23/85/77/145238577.db2.gz UEHJZGXZNBFPKH-SFHVURJKSA-N 2 2 319.449 2.345 10 0 DEAELP CCC[N@@H+](CC(=O)Nc1ccccc1OC)C[C@@]1(C)CC[NH2+]C1 ZINC000261892518 145238579 /nfs/dbraw/zinc/23/85/79/145238579.db2.gz UEHJZGXZNBFPKH-SFHVURJKSA-N 2 2 319.449 2.345 10 0 DEAELP [NH3+]Cc1nc(C[N@@H+]2CCC[C@@H]2Cc2ccccc2Cl)no1 ZINC000262300743 145274788 /nfs/dbraw/zinc/27/47/88/145274788.db2.gz XJUFULBWCKWIIU-GFCCVEGCSA-N 2 2 306.797 2.389 10 0 DEAELP [NH3+]Cc1nc(C[N@H+]2CCC[C@@H]2Cc2ccccc2Cl)no1 ZINC000262300743 145274791 /nfs/dbraw/zinc/27/47/91/145274791.db2.gz XJUFULBWCKWIIU-GFCCVEGCSA-N 2 2 306.797 2.389 10 0 DEAELP CC(C)Cn1cc[nH+]c1CNC(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000080564223 401889971 /nfs/dbraw/zinc/88/99/71/401889971.db2.gz DUUARLIXEVFPBG-OAHLLOKOSA-N 2 2 321.469 2.213 10 0 DEAELP CC(C)Cn1cc[nH+]c1CNC(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000080564223 401889974 /nfs/dbraw/zinc/88/99/74/401889974.db2.gz DUUARLIXEVFPBG-OAHLLOKOSA-N 2 2 321.469 2.213 10 0 DEAELP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)C[NH+]1CCC(C)CC1)C2 ZINC000137249013 401981444 /nfs/dbraw/zinc/98/14/44/401981444.db2.gz YZXNEFDIWWPKLI-UHFFFAOYSA-N 2 2 318.465 2.160 10 0 DEAELP C[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000151105551 402016538 /nfs/dbraw/zinc/01/65/38/402016538.db2.gz LKGNTYSBQUBZKA-HZPDHXFCSA-N 2 2 316.449 2.216 10 0 DEAELP C[C@@H]1CCCCN1C(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000151105551 402016540 /nfs/dbraw/zinc/01/65/40/402016540.db2.gz LKGNTYSBQUBZKA-HZPDHXFCSA-N 2 2 316.449 2.216 10 0 DEAELP CC(C)CCC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000154171754 402196832 /nfs/dbraw/zinc/19/68/32/402196832.db2.gz XPCYLZRVWNWSIN-SJPCQFCGSA-N 2 2 307.482 2.192 10 0 DEAELP CC(C)CCC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000154171754 402196835 /nfs/dbraw/zinc/19/68/35/402196835.db2.gz XPCYLZRVWNWSIN-SJPCQFCGSA-N 2 2 307.482 2.192 10 0 DEAELP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1cccc(N2CCOC2=O)c1 ZINC000154570936 402219016 /nfs/dbraw/zinc/21/90/16/402219016.db2.gz CDNOYQJJMAIFPX-BBRMVZONSA-N 2 2 303.406 2.388 10 0 DEAELP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1cccc(N2CCOC2=O)c1 ZINC000154570936 402219018 /nfs/dbraw/zinc/21/90/18/402219018.db2.gz CDNOYQJJMAIFPX-BBRMVZONSA-N 2 2 303.406 2.388 10 0 DEAELP CC[N@@H+]1CCC[C@H]([NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000226615921 402328876 /nfs/dbraw/zinc/32/88/76/402328876.db2.gz JKKCZQYRUUXBHT-HNNXBMFYSA-N 2 2 311.470 2.460 10 0 DEAELP CC[N@H+]1CCC[C@H]([NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000226615921 402328880 /nfs/dbraw/zinc/32/88/80/402328880.db2.gz JKKCZQYRUUXBHT-HNNXBMFYSA-N 2 2 311.470 2.460 10 0 DEAELP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H](O)COc1ccc(C)cc1 ZINC000177325399 402391584 /nfs/dbraw/zinc/39/15/84/402391584.db2.gz WLMOZIJZODWMBC-SQNIBIBYSA-N 2 2 318.461 2.293 10 0 DEAELP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H](O)COc1ccc(C)cc1 ZINC000177325399 402391586 /nfs/dbraw/zinc/39/15/86/402391586.db2.gz WLMOZIJZODWMBC-SQNIBIBYSA-N 2 2 318.461 2.293 10 0 DEAELP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)COc1ccc(C)cc1 ZINC000177325399 402391588 /nfs/dbraw/zinc/39/15/88/402391588.db2.gz WLMOZIJZODWMBC-SQNIBIBYSA-N 2 2 318.461 2.293 10 0 DEAELP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](O)COc1ccc(C)cc1 ZINC000177325399 402391590 /nfs/dbraw/zinc/39/15/90/402391590.db2.gz WLMOZIJZODWMBC-SQNIBIBYSA-N 2 2 318.461 2.293 10 0 DEAELP COC(=O)c1occc1C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178306845 402482724 /nfs/dbraw/zinc/48/27/24/402482724.db2.gz LUGOTQOBPAXXAG-CQSZACIVSA-N 2 2 303.362 2.236 10 0 DEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@H](C)C(=O)Nc1nccs1 ZINC000245952359 402500013 /nfs/dbraw/zinc/50/00/13/402500013.db2.gz PNYOZPBOEDZGAN-YPMHNXCESA-N 2 2 319.434 2.140 10 0 DEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@H](C)C(=O)Nc1nccs1 ZINC000245952359 402500017 /nfs/dbraw/zinc/50/00/17/402500017.db2.gz PNYOZPBOEDZGAN-YPMHNXCESA-N 2 2 319.434 2.140 10 0 DEAELP C[C@H](CN1CCOCC1)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189911621 402566195 /nfs/dbraw/zinc/56/61/95/402566195.db2.gz PQLDDYLMSZTABS-HZPDHXFCSA-N 2 2 314.433 2.244 10 0 DEAELP C[C@@H]([NH2+][C@@H](C)CN1CCOCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189911601 402566449 /nfs/dbraw/zinc/56/64/49/402566449.db2.gz PQLDDYLMSZTABS-JKSUJKDBSA-N 2 2 314.433 2.244 10 0 DEAELP CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000183182621 402744942 /nfs/dbraw/zinc/74/49/42/402744942.db2.gz WOCBDHRQXYFUTN-AWEZNQCLSA-N 2 2 308.426 2.262 10 0 DEAELP CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+]1CCCn1cc[nH+]c1 ZINC000183182621 402744945 /nfs/dbraw/zinc/74/49/45/402744945.db2.gz WOCBDHRQXYFUTN-AWEZNQCLSA-N 2 2 308.426 2.262 10 0 DEAELP C[NH+]1CCN(C(=O)C[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)CC1 ZINC000183728392 402792572 /nfs/dbraw/zinc/79/25/72/402792572.db2.gz SPOUBENZFDFWCP-QGZVFWFLSA-N 2 2 321.852 2.155 10 0 DEAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(-n3cc[nH+]c3)nc2)[C@H](C)C1 ZINC000175728591 402827137 /nfs/dbraw/zinc/82/71/37/402827137.db2.gz AOXWVKZEGZIEHL-NVXWUHKLSA-N 3 2 313.449 2.429 10 0 DEAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(-n3cc[nH+]c3)nc2)[C@H](C)C1 ZINC000175728591 402827141 /nfs/dbraw/zinc/82/71/41/402827141.db2.gz AOXWVKZEGZIEHL-NVXWUHKLSA-N 3 2 313.449 2.429 10 0 DEAELP Cc1cc(N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)nc(C(C)C)[nH+]1 ZINC000301252123 403606147 /nfs/dbraw/zinc/60/61/47/403606147.db2.gz CKTQTKXQEFNZCZ-MRXNPFEDSA-N 2 2 317.481 2.125 10 0 DEAELP Cc1cc(N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)nc(C(C)C)[nH+]1 ZINC000301252123 403606152 /nfs/dbraw/zinc/60/61/52/403606152.db2.gz CKTQTKXQEFNZCZ-MRXNPFEDSA-N 2 2 317.481 2.125 10 0 DEAELP Cc1cc(N2CCN([C@H]3CCC[N@H+](C)C3)CC2)nc(C(C)C)[nH+]1 ZINC000301252121 403606584 /nfs/dbraw/zinc/60/65/84/403606584.db2.gz CKTQTKXQEFNZCZ-INIZCTEOSA-N 2 2 317.481 2.125 10 0 DEAELP Cc1cc(N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)nc(C(C)C)[nH+]1 ZINC000301252121 403606587 /nfs/dbraw/zinc/60/65/87/403606587.db2.gz CKTQTKXQEFNZCZ-INIZCTEOSA-N 2 2 317.481 2.125 10 0 DEAELP Cc1cn2cc(NC(=O)N3CCC4(CC[NH2+]C4)CC3)ccc2[nH+]1 ZINC000333191313 403690122 /nfs/dbraw/zinc/69/01/22/403690122.db2.gz VBRQSKVXPZHTLL-UHFFFAOYSA-N 2 2 313.405 2.250 10 0 DEAELP CN(C)c1cc[nH+]c(NCc2ccc(C[NH+](C)C)c(F)c2)n1 ZINC000301897491 403697845 /nfs/dbraw/zinc/69/78/45/403697845.db2.gz VSSWTANGBGNPLN-UHFFFAOYSA-N 2 2 303.385 2.355 10 0 DEAELP Cn1c[nH+]c(CC[NH2+]Cc2cccc(O)c2Br)c1 ZINC000315213344 404009080 /nfs/dbraw/zinc/00/90/80/404009080.db2.gz GLNXNBYSFFKGHD-UHFFFAOYSA-N 2 2 310.195 2.221 10 0 DEAELP CC1(C)COC[C@H]1[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000313154366 403977127 /nfs/dbraw/zinc/97/71/27/403977127.db2.gz WTYPGCFKLHMSPK-QZTJIDSGSA-N 2 2 318.461 2.292 10 0 DEAELP CC1(C)COC[C@H]1[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000313154366 403977136 /nfs/dbraw/zinc/97/71/36/403977136.db2.gz WTYPGCFKLHMSPK-QZTJIDSGSA-N 2 2 318.461 2.292 10 0 DEAELP Clc1ccc2c(c1)[nH+]ccc2N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000369409688 404083328 /nfs/dbraw/zinc/08/33/28/404083328.db2.gz SLWARQKITOMDIT-ZDUSSCGKSA-N 2 2 303.793 2.409 10 0 DEAELP Clc1ccc2c(c1)[nH+]ccc2N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000369409688 404083335 /nfs/dbraw/zinc/08/33/35/404083335.db2.gz SLWARQKITOMDIT-ZDUSSCGKSA-N 2 2 303.793 2.409 10 0 DEAELP Cc1cc(CC[NH2+]C2CC[NH+](Cc3ccncc3)CC2)on1 ZINC000376120376 404805121 /nfs/dbraw/zinc/80/51/21/404805121.db2.gz XZZQBRWORUXBFE-UHFFFAOYSA-N 2 2 300.406 2.175 10 0 DEAELP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000361543072 405123710 /nfs/dbraw/zinc/12/37/10/405123710.db2.gz KBECMPNFRHWDCT-JKSUJKDBSA-N 2 2 318.465 2.076 10 0 DEAELP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000361543072 405123714 /nfs/dbraw/zinc/12/37/14/405123714.db2.gz KBECMPNFRHWDCT-JKSUJKDBSA-N 2 2 318.465 2.076 10 0 DEAELP COC1([C@@H](C)[NH2+][C@H]2CC[N@H+](CC3CCCC3)C2)CCOCC1 ZINC000453124653 405285189 /nfs/dbraw/zinc/28/51/89/405285189.db2.gz SCFAYPVKGAWPPK-WBVHZDCISA-N 2 2 310.482 2.425 10 0 DEAELP COC1([C@@H](C)[NH2+][C@H]2CC[N@@H+](CC3CCCC3)C2)CCOCC1 ZINC000453124653 405285191 /nfs/dbraw/zinc/28/51/91/405285191.db2.gz SCFAYPVKGAWPPK-WBVHZDCISA-N 2 2 310.482 2.425 10 0 DEAELP c1cn(Cc2ccccc2)c(C[NH2+][C@H]2CCn3cc[nH+]c3C2)n1 ZINC000494423043 405694785 /nfs/dbraw/zinc/69/47/85/405694785.db2.gz DHNSAURXRRRFOX-INIZCTEOSA-N 2 2 307.401 2.233 10 0 DEAELP Cc1csc(NC(=O)C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)n1 ZINC000533271377 406133791 /nfs/dbraw/zinc/13/37/91/406133791.db2.gz HZWWLEBGHAERFY-UHFFFAOYSA-N 2 2 324.494 2.442 10 0 DEAELP Cc1csc(NC(=O)C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)n1 ZINC000533271377 406133798 /nfs/dbraw/zinc/13/37/98/406133798.db2.gz HZWWLEBGHAERFY-UHFFFAOYSA-N 2 2 324.494 2.442 10 0 DEAELP c1cc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)sn1 ZINC000638387184 406740178 /nfs/dbraw/zinc/74/01/78/406740178.db2.gz UYLOVYWBHYMQHJ-UHFFFAOYSA-N 2 2 303.431 2.265 10 0 DEAELP C[NH+](C)CCn1ncc(Cl)c1C(=O)C(C)(C)[NH+]1CCCC1 ZINC000134087625 196360413 /nfs/dbraw/zinc/36/04/13/196360413.db2.gz FFVWHUXQCCKJPI-UHFFFAOYSA-N 2 2 312.845 2.155 10 0 DEAELP CCN(Cc1ccccc1)C(=O)[C@H](C)[NH+]1CCC([NH+](C)C)CC1 ZINC000193803999 424871381 /nfs/dbraw/zinc/87/13/81/424871381.db2.gz UZGUUBPRQPWDJZ-INIZCTEOSA-N 2 2 317.477 2.450 10 0 DEAELP CCc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)N2CC[NH+](CC)CC2)cc1 ZINC000192662011 424864809 /nfs/dbraw/zinc/86/48/09/424864809.db2.gz DHFOZTCVDDHQHJ-HZPDHXFCSA-N 2 2 317.477 2.452 10 0 DEAELP CCO[C@@H]1C[N@H+](Cc2sccc2Br)C[C@H]1C[NH3+] ZINC000405415019 424931674 /nfs/dbraw/zinc/93/16/74/424931674.db2.gz BJZLMXZLVOZQTQ-MWLCHTKSSA-N 2 2 319.268 2.306 10 0 DEAELP CCO[C@@H]1C[N@@H+](Cc2sccc2Br)C[C@H]1C[NH3+] ZINC000405415019 424931676 /nfs/dbraw/zinc/93/16/76/424931676.db2.gz BJZLMXZLVOZQTQ-MWLCHTKSSA-N 2 2 319.268 2.306 10 0 DEAELP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000310733489 424894924 /nfs/dbraw/zinc/89/49/24/424894924.db2.gz FOMWXYLMADTYLK-FZMZJTMJSA-N 2 2 315.255 2.412 10 0 DEAELP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000310733489 424894928 /nfs/dbraw/zinc/89/49/28/424894928.db2.gz FOMWXYLMADTYLK-FZMZJTMJSA-N 2 2 315.255 2.412 10 0 DEAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2nc(-c3ccco3)no2)[C@H](C)C1 ZINC000081096694 267378986 /nfs/dbraw/zinc/37/89/86/267378986.db2.gz LJTULEBFSJSJII-OLZOCXBDSA-N 2 2 304.394 2.492 10 0 DEAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2nc(-c3ccco3)no2)[C@H](C)C1 ZINC000081096694 267378990 /nfs/dbraw/zinc/37/89/90/267378990.db2.gz LJTULEBFSJSJII-OLZOCXBDSA-N 2 2 304.394 2.492 10 0 DEAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2nc(-c3ccco3)no2)[C@H](C)C1 ZINC000081096694 267378994 /nfs/dbraw/zinc/37/89/94/267378994.db2.gz LJTULEBFSJSJII-OLZOCXBDSA-N 2 2 304.394 2.492 10 0 DEAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2nc(-c3ccco3)no2)[C@H](C)C1 ZINC000081096694 267378998 /nfs/dbraw/zinc/37/89/98/267378998.db2.gz LJTULEBFSJSJII-OLZOCXBDSA-N 2 2 304.394 2.492 10 0 DEAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCOc1ccc(Br)cc1 ZINC000358031666 269040794 /nfs/dbraw/zinc/04/07/94/269040794.db2.gz YUARFLIERQFMHM-RISCZKNCSA-N 2 2 313.239 2.368 10 0 DEAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCOc1ccc(Br)cc1 ZINC000358031666 269040795 /nfs/dbraw/zinc/04/07/95/269040795.db2.gz YUARFLIERQFMHM-RISCZKNCSA-N 2 2 313.239 2.368 10 0 DEAELP c1cc(N2CCCC2)[nH+]cc1N[C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000261887951 275064449 /nfs/dbraw/zinc/06/44/49/275064449.db2.gz GAZIXYUDMGELFW-ZACQAIPSSA-N 2 2 316.449 2.251 10 0 DEAELP C[C@H](CC1CCOCC1)[NH2+][C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000328646182 533787392 /nfs/dbraw/zinc/78/73/92/533787392.db2.gz SLXJCSZIBBWOFE-FRFSOERESA-N 2 2 307.438 2.435 10 0 DEAELP NC(=O)c1ccc(C[N@@H+]2CC[C@H](n3c[nH+]c4c3CCCC4)C2)cc1 ZINC000299744094 534481190 /nfs/dbraw/zinc/48/11/90/534481190.db2.gz QVPDCKRHDVSDLA-INIZCTEOSA-N 2 2 324.428 2.308 10 0 DEAELP NC(=O)c1ccc(C[N@H+]2CC[C@H](n3c[nH+]c4c3CCCC4)C2)cc1 ZINC000299744094 534481198 /nfs/dbraw/zinc/48/11/98/534481198.db2.gz QVPDCKRHDVSDLA-INIZCTEOSA-N 2 2 324.428 2.308 10 0 DEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)N2CCC[C@H](C)C2)C1 ZINC000105896904 522591604 /nfs/dbraw/zinc/59/16/04/522591604.db2.gz XOBWFMNUWIAWJA-JKSUJKDBSA-N 2 2 318.465 2.341 10 0 DEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)N2CCC[C@H](C)C2)C1 ZINC000105896904 522591616 /nfs/dbraw/zinc/59/16/16/522591616.db2.gz XOBWFMNUWIAWJA-JKSUJKDBSA-N 2 2 318.465 2.341 10 0 DEAELP CC(C)Cn1cc[nH+]c1CNC(=O)C[C@H](C)C1CC[NH2+]CC1 ZINC000178809874 534911992 /nfs/dbraw/zinc/91/19/92/534911992.db2.gz GGCHCVHYLMIHOD-AWEZNQCLSA-N 2 2 306.454 2.181 10 0 DEAELP CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)CC[C@@H]1CC[NH2+]C1)C2 ZINC000261814407 535137457 /nfs/dbraw/zinc/13/74/57/535137457.db2.gz MCQIMTSDJDOYAD-KGLIPLIRSA-N 2 2 318.465 2.001 10 0 DEAELP CC1(C)C[N@H+](CC(=O)N[C@@H](c2ccccc2)C2CC2)CC[C@@H]1[NH3+] ZINC000261822010 535352867 /nfs/dbraw/zinc/35/28/67/535352867.db2.gz XZVYAILYOPLQDM-WMZOPIPTSA-N 2 2 315.461 2.313 10 0 DEAELP CC1(C)C[N@@H+](CC(=O)N[C@@H](c2ccccc2)C2CC2)CC[C@@H]1[NH3+] ZINC000261822010 535352869 /nfs/dbraw/zinc/35/28/69/535352869.db2.gz XZVYAILYOPLQDM-WMZOPIPTSA-N 2 2 315.461 2.313 10 0 DEAELP CCc1[nH+]c2ccccc2n1CC(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000262119140 536159592 /nfs/dbraw/zinc/15/95/92/536159592.db2.gz WDWDIFWVAVRWOO-HNNXBMFYSA-N 2 2 314.433 2.185 10 0 DEAELP CN(C(=O)Nc1ccc2[nH+]ccn2c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000806289072 645813829 /nfs/dbraw/zinc/81/38/29/645813829.db2.gz DNCXAIUHLNIVGL-YIONKMFJSA-N 2 2 313.405 2.423 10 0 DEAELP CN(C(=O)Nc1ccc2[nH+]ccn2c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000806289072 645813835 /nfs/dbraw/zinc/81/38/35/645813835.db2.gz DNCXAIUHLNIVGL-YIONKMFJSA-N 2 2 313.405 2.423 10 0 DEAELP Nc1cnc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000383747718 685408544 /nfs/dbraw/zinc/40/85/44/685408544.db2.gz JJAGYIJDRZFQNW-DLBZAZTESA-N 2 2 323.444 2.013 10 0 DEAELP Nc1cnc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000383747718 685408547 /nfs/dbraw/zinc/40/85/47/685408547.db2.gz JJAGYIJDRZFQNW-DLBZAZTESA-N 2 2 323.444 2.013 10 0 DEAELP Nc1cnc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000383747718 685408550 /nfs/dbraw/zinc/40/85/50/685408550.db2.gz JJAGYIJDRZFQNW-DLBZAZTESA-N 2 2 323.444 2.013 10 0 DEAELP Nc1cnc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000383747718 685408555 /nfs/dbraw/zinc/40/85/55/685408555.db2.gz JJAGYIJDRZFQNW-DLBZAZTESA-N 2 2 323.444 2.013 10 0 DEAELP COC(=O)/C(C)=C\C[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000705895944 1086628271 /nfs/dbraw/zinc/62/82/71/1086628271.db2.gz KBRAMMMMGCLSNO-ZBLDBLJQSA-N 2 2 314.429 2.170 10 0 DEAELP COC(=O)/C(C)=C\C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000705895944 1086628273 /nfs/dbraw/zinc/62/82/73/1086628273.db2.gz KBRAMMMMGCLSNO-ZBLDBLJQSA-N 2 2 314.429 2.170 10 0 DEAELP COC(=O)/C(C)=C\C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000705895944 1086628278 /nfs/dbraw/zinc/62/82/78/1086628278.db2.gz KBRAMMMMGCLSNO-ZBLDBLJQSA-N 2 2 314.429 2.170 10 0 DEAELP COC(=O)/C(C)=C\C[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000705895944 1086628283 /nfs/dbraw/zinc/62/82/83/1086628283.db2.gz KBRAMMMMGCLSNO-ZBLDBLJQSA-N 2 2 314.429 2.170 10 0 DEAELP COC1(OC)CC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000710967523 1086692668 /nfs/dbraw/zinc/69/26/68/1086692668.db2.gz OBGCLPORPAWOIH-KRWDZBQOSA-N 2 2 304.434 2.392 10 0 DEAELP Cc1[nH+]ccn1CC[NH+]1CCN(C(=O)Nc2ccccc2)CC1 ZINC000077121763 185111134 /nfs/dbraw/zinc/11/11/34/185111134.db2.gz ZIZLFYFYFKEFML-UHFFFAOYSA-N 2 2 313.405 2.041 10 0 DEAELP C[C@@H](CCCO)[NH2+][C@@H](C[NH3+])c1ccc(Br)s1 ZINC000087359075 185222581 /nfs/dbraw/zinc/22/25/81/185222581.db2.gz QHXZNZJRJOIJFA-IUCAKERBSA-N 2 2 307.257 2.261 10 0 DEAELP CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2C[N@@H+]1Cc1cc2c(c(Cl)c1)OCO2 ZINC000090332875 185291492 /nfs/dbraw/zinc/29/14/92/185291492.db2.gz PALSXZFNYQQBFK-MBNYWOFBSA-N 2 2 308.809 2.499 10 0 DEAELP CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2C[N@H+]1Cc1cc2c(c(Cl)c1)OCO2 ZINC000090332875 185291493 /nfs/dbraw/zinc/29/14/93/185291493.db2.gz PALSXZFNYQQBFK-MBNYWOFBSA-N 2 2 308.809 2.499 10 0 DEAELP C[NH2+][C@H]1COC[C@@H]1C[N@H+](C)Cc1ccccc1Br ZINC000090438778 185296614 /nfs/dbraw/zinc/29/66/14/185296614.db2.gz HDSVWQMJSWERLD-JSGCOSHPSA-N 2 2 313.239 2.115 10 0 DEAELP C[NH2+][C@H]1COC[C@@H]1C[N@@H+](C)Cc1ccccc1Br ZINC000090438778 185296615 /nfs/dbraw/zinc/29/66/15/185296615.db2.gz HDSVWQMJSWERLD-JSGCOSHPSA-N 2 2 313.239 2.115 10 0 DEAELP CN(C)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)c1ccccc1 ZINC000262037219 282248503 /nfs/dbraw/zinc/24/85/03/282248503.db2.gz YCAYPXKMGYJQPX-AKHDSKFASA-N 2 2 317.477 2.036 10 0 DEAELP C[NH+](C)[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)c1ccccc1 ZINC000262037219 282248508 /nfs/dbraw/zinc/24/85/08/282248508.db2.gz YCAYPXKMGYJQPX-AKHDSKFASA-N 2 2 317.477 2.036 10 0 DEAELP CCC[C@@H](C(=O)Nc1cccc(C[NH+]2CCOCC2)c1)[NH+](C)C ZINC000161759351 539593216 /nfs/dbraw/zinc/59/32/16/539593216.db2.gz WHUZYDRQOPIQNN-KRWDZBQOSA-N 2 2 319.449 2.188 10 0 DEAELP CCC[C@H](C(=O)Nc1cccc(C[NH+]2CCOCC2)c1)[NH+](C)C ZINC000161759455 539593363 /nfs/dbraw/zinc/59/33/63/539593363.db2.gz WHUZYDRQOPIQNN-QGZVFWFLSA-N 2 2 319.449 2.188 10 0 DEAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1noc2c1CCCC2 ZINC000162191382 539596449 /nfs/dbraw/zinc/59/64/49/539596449.db2.gz WYGNFSONPBKDSM-UHFFFAOYSA-N 2 2 320.481 2.011 10 0 DEAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1noc2c1CCCC2 ZINC000162191382 539596454 /nfs/dbraw/zinc/59/64/54/539596454.db2.gz WYGNFSONPBKDSM-UHFFFAOYSA-N 2 2 320.481 2.011 10 0 DEAELP O=C(NCCC[NH+]1CCCCCC1)[C@@H]1CCCn2cc[nH+]c21 ZINC000080499523 192162888 /nfs/dbraw/zinc/16/28/88/192162888.db2.gz CSMLKLUWLVBGLL-OAHLLOKOSA-N 2 2 304.438 2.143 10 0 DEAELP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)c2ccccc2C[NH3+])CC1 ZINC000071700475 191009693 /nfs/dbraw/zinc/00/96/93/191009693.db2.gz GSZPFCFMEDKIRN-OAHLLOKOSA-N 2 2 324.428 2.059 10 0 DEAELP CC[C@H]([NH3+])[C@H](c1sccc1C)[N@@H+]1CC[C@H](NC(=O)OC)C1 ZINC000133628089 186001323 /nfs/dbraw/zinc/00/13/23/186001323.db2.gz VQMRDIVSLBQQKI-RWMBFGLXSA-N 2 2 311.451 2.265 10 0 DEAELP CC[C@H]([NH3+])[C@H](c1sccc1C)[N@H+]1CC[C@H](NC(=O)OC)C1 ZINC000133628089 186001324 /nfs/dbraw/zinc/00/13/24/186001324.db2.gz VQMRDIVSLBQQKI-RWMBFGLXSA-N 2 2 311.451 2.265 10 0 DEAELP C[C@@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C[C@@H]1n1cc[nH+]c1 ZINC000183904189 186229586 /nfs/dbraw/zinc/22/95/86/186229586.db2.gz GSGKCQJLGWXWQX-CJNGLKHVSA-N 2 2 313.405 2.067 10 0 DEAELP Cc1nc(N2C[C@@H](C)[C@@H]([NH+](C)C)C2)c(Br)c(C)[nH+]1 ZINC000322942532 539903228 /nfs/dbraw/zinc/90/32/28/539903228.db2.gz IEJYATQBRWEXOT-KCJUWKMLSA-N 2 2 313.243 2.242 10 0 DEAELP C[C@@H]1C[C@@H](N(C)C(=O)NCCCNc2cccc[nH+]2)CC[N@@H+]1C ZINC000173955099 198272752 /nfs/dbraw/zinc/27/27/52/198272752.db2.gz HHFWIJJOOFECOF-CABCVRRESA-N 2 2 319.453 2.008 10 0 DEAELP C[C@@H]1C[C@@H](N(C)C(=O)NCCCNc2cccc[nH+]2)CC[N@H+]1C ZINC000173955099 198272754 /nfs/dbraw/zinc/27/27/54/198272754.db2.gz HHFWIJJOOFECOF-CABCVRRESA-N 2 2 319.453 2.008 10 0 DEAELP CC1CCC(N(C)C(=O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000246725383 535260251 /nfs/dbraw/zinc/26/02/51/535260251.db2.gz LVJYVICMIBYIGA-ODZFXCKXSA-N 2 2 309.498 2.438 10 0 DEAELP CC1CCC(N(C)C(=O)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000246725383 535260258 /nfs/dbraw/zinc/26/02/58/535260258.db2.gz LVJYVICMIBYIGA-ODZFXCKXSA-N 2 2 309.498 2.438 10 0 DEAELP Cc1cncc(CC[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000402863393 540143729 /nfs/dbraw/zinc/14/37/29/540143729.db2.gz YPQWLXXXQWZJEA-KXBFYZLASA-N 2 2 310.445 2.438 10 0 DEAELP Cc1cncc(CC[NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000402863393 540143731 /nfs/dbraw/zinc/14/37/31/540143731.db2.gz YPQWLXXXQWZJEA-KXBFYZLASA-N 2 2 310.445 2.438 10 0 DEAELP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000400460062 283157263 /nfs/dbraw/zinc/15/72/63/283157263.db2.gz UGPNLICXDQDERL-KFWWJZLASA-N 2 2 311.470 2.316 10 0 DEAELP CC[N@H+]1CC[C@H]([NH2+][C@H](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000400460062 283157265 /nfs/dbraw/zinc/15/72/65/283157265.db2.gz UGPNLICXDQDERL-KFWWJZLASA-N 2 2 311.470 2.316 10 0 DEAELP C[C@@H]([NH2+]CC[NH+]1CCCC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400509139 283157426 /nfs/dbraw/zinc/15/74/26/283157426.db2.gz KXBCIWMNDMAGEJ-HUUCEWRRSA-N 2 2 311.470 2.317 10 0 DEAELP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000608364026 361205529 /nfs/dbraw/zinc/20/55/29/361205529.db2.gz UJMJTODEPOZZMB-MRXNPFEDSA-N 2 2 316.405 2.066 10 0 DEAELP C[N@H+](Cc1ccc(Cl)cc1)[C@H](C[NH3+])CC(=O)N1CCCC1 ZINC000091323356 193039849 /nfs/dbraw/zinc/03/98/49/193039849.db2.gz CVFYTNDVLWOJEJ-HNNXBMFYSA-N 2 2 309.841 2.112 10 0 DEAELP C[N@@H+](Cc1ccc(Cl)cc1)[C@H](C[NH3+])CC(=O)N1CCCC1 ZINC000091323356 193039851 /nfs/dbraw/zinc/03/98/51/193039851.db2.gz CVFYTNDVLWOJEJ-HNNXBMFYSA-N 2 2 309.841 2.112 10 0 DEAELP CC[NH2+][C@@H](CCCS(C)(=O)=O)C1([NH+](C)C)CCCCCC1 ZINC000091654737 193084684 /nfs/dbraw/zinc/08/46/84/193084684.db2.gz LXZVCVNELGCXII-HNNXBMFYSA-N 2 2 318.527 2.444 10 0 DEAELP CC(=O)c1ccccc1OCC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631885960 368440950 /nfs/dbraw/zinc/44/09/50/368440950.db2.gz FNGPTPTWLUPKOV-NVXWUHKLSA-N 2 2 302.418 2.342 10 0 DEAELP CC(=O)c1ccccc1OCC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631885960 368440953 /nfs/dbraw/zinc/44/09/53/368440953.db2.gz FNGPTPTWLUPKOV-NVXWUHKLSA-N 2 2 302.418 2.342 10 0 DEAELP C[C@H]1C[C@@H]([NH+](C)Cc2cn(C)nc2-c2ccncc2)CC[N@@H+]1C ZINC000093644852 193280257 /nfs/dbraw/zinc/28/02/57/193280257.db2.gz SRCBLBNNVNANHI-YOEHRIQHSA-N 2 2 313.449 2.397 10 0 DEAELP C[C@H]1C[C@@H]([NH+](C)Cc2cn(C)nc2-c2ccncc2)CC[N@H+]1C ZINC000093644852 193280260 /nfs/dbraw/zinc/28/02/60/193280260.db2.gz SRCBLBNNVNANHI-YOEHRIQHSA-N 2 2 313.449 2.397 10 0 DEAELP C[C@H]1C[C@@H]([N@H+](C)Cc2cn(C)nc2-c2ccncc2)CC[NH+]1C ZINC000093644852 193280261 /nfs/dbraw/zinc/28/02/61/193280261.db2.gz SRCBLBNNVNANHI-YOEHRIQHSA-N 2 2 313.449 2.397 10 0 DEAELP C[C@H]1C[C@@H]([N@@H+](C)Cc2cn(C)nc2-c2ccncc2)CC[NH+]1C ZINC000093644852 193280263 /nfs/dbraw/zinc/28/02/63/193280263.db2.gz SRCBLBNNVNANHI-YOEHRIQHSA-N 2 2 313.449 2.397 10 0 DEAELP C[NH2+][C@@H]1CC(C)(C)Cc2nc([C@@H]3C[N@H+](C)CCN3C)sc21 ZINC000093896234 193324654 /nfs/dbraw/zinc/32/46/54/193324654.db2.gz HHWXGFIHIZMPHD-YPMHNXCESA-N 2 2 308.495 2.294 10 0 DEAELP C[NH2+][C@@H]1CC(C)(C)Cc2nc([C@@H]3C[N@@H+](C)CCN3C)sc21 ZINC000093896234 193324656 /nfs/dbraw/zinc/32/46/56/193324656.db2.gz HHWXGFIHIZMPHD-YPMHNXCESA-N 2 2 308.495 2.294 10 0 DEAELP C[NH2+][C@H](Cc1ccc(Cl)cc1Cl)[C@H]1C[N@H+](C)CCN1C ZINC000093894730 193325546 /nfs/dbraw/zinc/32/55/46/193325546.db2.gz KLMNNUVZFXBCAA-HUUCEWRRSA-N 2 2 316.276 2.370 10 0 DEAELP C[NH2+][C@H](Cc1ccc(Cl)cc1Cl)[C@H]1C[N@@H+](C)CCN1C ZINC000093894730 193325547 /nfs/dbraw/zinc/32/55/47/193325547.db2.gz KLMNNUVZFXBCAA-HUUCEWRRSA-N 2 2 316.276 2.370 10 0 DEAELP C[NH2+][C@H](Cc1cc(Cl)ccc1Cl)[C@H]1C[NH+]2CCN1CC2 ZINC000094509180 193376233 /nfs/dbraw/zinc/37/62/33/193376233.db2.gz CQXMTVLGRBLTPW-HUUCEWRRSA-N 2 2 314.260 2.124 10 0 DEAELP CCC[C@@H](C(=O)N1CC[NH+](Cc2cccc(F)c2)CC1)[NH+](C)C ZINC000157999678 291636368 /nfs/dbraw/zinc/63/63/68/291636368.db2.gz VQHKZORLGKVAGA-KRWDZBQOSA-N 2 2 321.440 2.200 10 0 DEAELP COc1ccc(C[NH2+][C@H]2CCC[N@H+](C)C2)cc1OC(F)F ZINC000040671648 183115630 /nfs/dbraw/zinc/11/56/30/183115630.db2.gz KRGBYTINTAYUCQ-LBPRGKRZSA-N 2 2 300.349 2.480 10 0 DEAELP COc1ccc(C[NH2+][C@H]2CCC[N@@H+](C)C2)cc1OC(F)F ZINC000040671648 183115633 /nfs/dbraw/zinc/11/56/33/183115633.db2.gz KRGBYTINTAYUCQ-LBPRGKRZSA-N 2 2 300.349 2.480 10 0 DEAELP Cn1cc[nH+]c1[C@@H](NC(=O)CC[NH+](C)C)c1ccccc1Cl ZINC000041536406 183199508 /nfs/dbraw/zinc/19/95/08/183199508.db2.gz HNGRJBOBCDQOPH-HNNXBMFYSA-N 2 2 320.824 2.231 10 0 DEAELP Brc1cccc(OCC[NH2+]CCn2cc[nH+]c2)c1 ZINC000042225186 183244956 /nfs/dbraw/zinc/24/49/56/183244956.db2.gz DRDKRPLDBTZFSK-UHFFFAOYSA-N 2 2 310.195 2.314 10 0 DEAELP CC(C)[N@H+](CC[NH3+])CCOc1ccc(Br)cc1 ZINC000042428507 183269495 /nfs/dbraw/zinc/26/94/95/183269495.db2.gz JBRADKGKUPYXSY-UHFFFAOYSA-N 2 2 301.228 2.497 10 0 DEAELP CC(C)[N@@H+](CC[NH3+])CCOc1ccc(Br)cc1 ZINC000042428507 183269496 /nfs/dbraw/zinc/26/94/96/183269496.db2.gz JBRADKGKUPYXSY-UHFFFAOYSA-N 2 2 301.228 2.497 10 0 DEAELP COCC[N@H+](C)[C@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043021237 183329542 /nfs/dbraw/zinc/32/95/42/183329542.db2.gz QBJUTIKQBFNLNR-MFKMUULPSA-N 2 2 301.228 2.416 10 0 DEAELP COCC[N@@H+](C)[C@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043021237 183329543 /nfs/dbraw/zinc/32/95/43/183329543.db2.gz QBJUTIKQBFNLNR-MFKMUULPSA-N 2 2 301.228 2.416 10 0 DEAELP CC[N@H+](CCO)[C@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043021020 183329828 /nfs/dbraw/zinc/32/98/28/183329828.db2.gz BUJXFOHGFYUNAE-MFKMUULPSA-N 2 2 301.228 2.152 10 0 DEAELP CC[N@@H+](CCO)[C@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043021020 183329830 /nfs/dbraw/zinc/32/98/30/183329830.db2.gz BUJXFOHGFYUNAE-MFKMUULPSA-N 2 2 301.228 2.152 10 0 DEAELP CC[C@@H]([NH3+])[C@H](c1sccc1C)[NH+]1CCC(CC(N)=O)CC1 ZINC000043248755 183347345 /nfs/dbraw/zinc/34/73/45/183347345.db2.gz MGTYBGLRYSDMCE-UKRRQHHQSA-N 2 2 309.479 2.422 10 0 DEAELP [NH3+]C[C@@H](c1ccccc1Br)N1CCn2cc[nH+]c2C1 ZINC000062246034 184225337 /nfs/dbraw/zinc/22/53/37/184225337.db2.gz KIPLGUFWJKYZSI-ZDUSSCGKSA-N 2 2 321.222 2.161 10 0 DEAELP C[NH+](C)[C@H](C(=O)N1CC[NH+](CC(C)(C)C)CC1)c1ccccc1 ZINC000062455696 184237220 /nfs/dbraw/zinc/23/72/20/184237220.db2.gz DCOLSUVBTZMYMG-KRWDZBQOSA-N 2 2 317.477 2.480 10 0 DEAELP CCC[C@]1(C[NH+]2CCN(CC(F)(F)F)CC2)CCC[NH2+]C1 ZINC000062868036 184257085 /nfs/dbraw/zinc/25/70/85/184257085.db2.gz KMYXMUWOBLHIGX-AWEZNQCLSA-N 2 2 307.404 2.336 10 0 DEAELP CCCN(Cc1[nH+]ccn1C)c1nc(CC[NH3+])nc2ccccc21 ZINC000065387237 184334015 /nfs/dbraw/zinc/33/40/15/184334015.db2.gz XWFQDNKPLWSSFR-UHFFFAOYSA-N 2 2 324.432 2.281 10 0 DEAELP O=C(C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)Nc1cccc(Cl)c1 ZINC000157968480 197231058 /nfs/dbraw/zinc/23/10/58/197231058.db2.gz YCEVSTMYWFCDIK-DZGCQCFKSA-N 2 2 307.825 2.495 10 0 DEAELP O=C(C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)Nc1cccc(Cl)c1 ZINC000157968480 197231060 /nfs/dbraw/zinc/23/10/60/197231060.db2.gz YCEVSTMYWFCDIK-DZGCQCFKSA-N 2 2 307.825 2.495 10 0 DEAELP Cc1nc(C[N@@H+]2CCO[C@H]3C[NH+](CC4CC4)CC[C@H]3C2)cs1 ZINC000247949756 257112890 /nfs/dbraw/zinc/11/28/90/257112890.db2.gz JNNNMORRNUHGNC-RDJZCZTQSA-N 2 2 321.490 2.384 10 0 DEAELP Cc1nc(C[N@H+]2CCO[C@H]3C[NH+](CC4CC4)CC[C@H]3C2)cs1 ZINC000247949756 257112892 /nfs/dbraw/zinc/11/28/92/257112892.db2.gz JNNNMORRNUHGNC-RDJZCZTQSA-N 2 2 321.490 2.384 10 0 DEAELP Cc1nc(C[NH+]2CCO[C@H]3C[N@H+](CC4CC4)CC[C@H]3C2)cs1 ZINC000247949756 257112894 /nfs/dbraw/zinc/11/28/94/257112894.db2.gz JNNNMORRNUHGNC-RDJZCZTQSA-N 2 2 321.490 2.384 10 0 DEAELP Cc1nc(C[NH+]2CCO[C@H]3C[N@@H+](CC4CC4)CC[C@H]3C2)cs1 ZINC000247949756 257112895 /nfs/dbraw/zinc/11/28/95/257112895.db2.gz JNNNMORRNUHGNC-RDJZCZTQSA-N 2 2 321.490 2.384 10 0 DEAELP c1ccc(C[NH+]2CCN(Cc3ccc4c(c3)C[NH2+]CC4)CC2)nc1 ZINC000563270917 292043202 /nfs/dbraw/zinc/04/32/02/292043202.db2.gz FVFMDZLHQIFXSM-UHFFFAOYSA-N 2 2 322.456 2.045 10 0 DEAELP Cn1c(C[NH+]2CCC(n3cc[nH+]c3)CC2)nnc1C1CCC1 ZINC000181416272 144905268 /nfs/dbraw/zinc/90/52/68/144905268.db2.gz HNZRWPNCRYCSDT-UHFFFAOYSA-N 2 2 300.410 2.116 10 0 DEAELP C[C@H]1Cc2ccccc2N1C(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261701342 145218546 /nfs/dbraw/zinc/21/85/46/145218546.db2.gz KCZPTEMQKFUGHS-JTUUTPGSSA-N 2 2 313.445 2.179 10 0 DEAELP C[C@H]1Cc2ccccc2N1C(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261701342 145218547 /nfs/dbraw/zinc/21/85/47/145218547.db2.gz KCZPTEMQKFUGHS-JTUUTPGSSA-N 2 2 313.445 2.179 10 0 DEAELP C[N@H+](CC(=O)Nc1cc(F)ccc1F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261959740 145246948 /nfs/dbraw/zinc/24/69/48/145246948.db2.gz OODZAPHCKILYGC-FUNVUKJBSA-N 2 2 309.360 2.118 10 0 DEAELP C[N@@H+](CC(=O)Nc1cc(F)ccc1F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261959740 145246951 /nfs/dbraw/zinc/24/69/51/145246951.db2.gz OODZAPHCKILYGC-FUNVUKJBSA-N 2 2 309.360 2.118 10 0 DEAELP CCc1cccc(NC(=O)C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000262023225 145253464 /nfs/dbraw/zinc/25/34/64/145253464.db2.gz XWBZLJNCHBXBAK-SJPCQFCGSA-N 2 2 301.434 2.402 10 0 DEAELP CCc1cccc(NC(=O)C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000262023225 145253467 /nfs/dbraw/zinc/25/34/67/145253467.db2.gz XWBZLJNCHBXBAK-SJPCQFCGSA-N 2 2 301.434 2.402 10 0 DEAELP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cc(Cl)ccc1OC1CCCC1 ZINC000262067601 145258981 /nfs/dbraw/zinc/25/89/81/145258981.db2.gz BKHTYEVVRWDOGE-CZUORRHYSA-N 2 2 324.852 2.331 10 0 DEAELP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cc(Cl)ccc1OC1CCCC1 ZINC000262067596 145259398 /nfs/dbraw/zinc/25/93/98/145259398.db2.gz BKHTYEVVRWDOGE-BBRMVZONSA-N 2 2 324.852 2.331 10 0 DEAELP CC1(C)C[N@H+](Cc2nc(-c3ccc(F)cc3)no2)CC[C@H]1[NH3+] ZINC000262550488 145292322 /nfs/dbraw/zinc/29/23/22/145292322.db2.gz SKAWXSUWVSXCCP-CYBMUJFWSA-N 2 2 304.369 2.435 10 0 DEAELP CC1(C)C[N@@H+](Cc2nc(-c3ccc(F)cc3)no2)CC[C@H]1[NH3+] ZINC000262550488 145292324 /nfs/dbraw/zinc/29/23/24/145292324.db2.gz SKAWXSUWVSXCCP-CYBMUJFWSA-N 2 2 304.369 2.435 10 0 DEAELP COc1cccc([C@H](C)[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000079464399 401873235 /nfs/dbraw/zinc/87/32/35/401873235.db2.gz JRFGCHLHSHTJFO-JKSUJKDBSA-N 2 2 304.434 2.410 10 0 DEAELP COc1cccc([C@H](C)[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000079464399 401873236 /nfs/dbraw/zinc/87/32/36/401873236.db2.gz JRFGCHLHSHTJFO-JKSUJKDBSA-N 2 2 304.434 2.410 10 0 DEAELP CC(=O)c1ccc(NC(=O)CC[NH+]2CCC([NH+](C)C)CC2)cc1 ZINC000134984467 401922776 /nfs/dbraw/zinc/92/27/76/401922776.db2.gz BVLPCBFDHSPWSL-UHFFFAOYSA-N 2 2 317.433 2.244 10 0 DEAELP CCCCCNC(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000151103383 402016384 /nfs/dbraw/zinc/01/63/84/402016384.db2.gz ZYDGBPNFOWUBOF-OAHLLOKOSA-N 2 2 304.438 2.122 10 0 DEAELP CCCCCNC(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000151103383 402016385 /nfs/dbraw/zinc/01/63/85/402016385.db2.gz ZYDGBPNFOWUBOF-OAHLLOKOSA-N 2 2 304.438 2.122 10 0 DEAELP CC1CC[NH+](C[C@@H]2CCC[N@H+](C[C@H](O)C(F)(F)F)C2)CC1 ZINC000121132218 402017073 /nfs/dbraw/zinc/01/70/73/402017073.db2.gz HKDIKSXIBZMUBN-KBPBESRZSA-N 2 2 308.388 2.354 10 0 DEAELP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@H](O)C(F)(F)F)C2)CC1 ZINC000121132218 402017076 /nfs/dbraw/zinc/01/70/76/402017076.db2.gz HKDIKSXIBZMUBN-KBPBESRZSA-N 2 2 308.388 2.354 10 0 DEAELP O[C@H](C[NH2+][C@H]1CCCOc2ccc(F)cc21)C[NH+]1CCCCC1 ZINC000151265853 402026874 /nfs/dbraw/zinc/02/68/74/402026874.db2.gz OXIRZMHPOXTCHU-WBVHZDCISA-N 2 2 322.424 2.476 10 0 DEAELP C[NH+]1CCC(CNC(=O)NC(C)(C)C)([NH+]2CCCCC2)CC1 ZINC000152315616 402088679 /nfs/dbraw/zinc/08/86/79/402088679.db2.gz OMYXTHDLNMKADJ-UHFFFAOYSA-N 2 2 310.486 2.034 10 0 DEAELP Cc1ccccc1CN(C)C(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123496405 402130505 /nfs/dbraw/zinc/13/05/05/402130505.db2.gz RRXRGIQHRSUUES-SJLPKXTDSA-N 2 2 317.477 2.368 10 0 DEAELP Cc1ccccc1CN(C)C(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123496405 402130508 /nfs/dbraw/zinc/13/05/08/402130508.db2.gz RRXRGIQHRSUUES-SJLPKXTDSA-N 2 2 317.477 2.368 10 0 DEAELP Cc1ccccc1CN(C)C(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123496405 402130509 /nfs/dbraw/zinc/13/05/09/402130509.db2.gz RRXRGIQHRSUUES-SJLPKXTDSA-N 2 2 317.477 2.368 10 0 DEAELP Cc1ccccc1CN(C)C(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123496405 402130512 /nfs/dbraw/zinc/13/05/12/402130512.db2.gz RRXRGIQHRSUUES-SJLPKXTDSA-N 2 2 317.477 2.368 10 0 DEAELP COc1cc([C@H](C)[NH2+]C[C@H](C)C[NH+]2CCOCC2)ccc1F ZINC000153903475 402179259 /nfs/dbraw/zinc/17/92/59/402179259.db2.gz FWQNUMFXJAGKEC-KBPBESRZSA-N 2 2 310.413 2.453 10 0 DEAELP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000154514173 402216220 /nfs/dbraw/zinc/21/62/20/402216220.db2.gz RNLGBNGQHOEGNA-RDJZCZTQSA-N 3 2 305.466 2.372 10 0 DEAELP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000154514173 402216223 /nfs/dbraw/zinc/21/62/23/402216223.db2.gz RNLGBNGQHOEGNA-RDJZCZTQSA-N 3 2 305.466 2.372 10 0 DEAELP CCC1(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)CCC1 ZINC000154305390 402204965 /nfs/dbraw/zinc/20/49/65/402204965.db2.gz XIFFBCRUBMSAAC-SJPCQFCGSA-N 2 2 319.493 2.336 10 0 DEAELP CCC1(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)CCC1 ZINC000154305390 402204969 /nfs/dbraw/zinc/20/49/69/402204969.db2.gz XIFFBCRUBMSAAC-SJPCQFCGSA-N 2 2 319.493 2.336 10 0 DEAELP C[NH+](C)CCCOC1CCN(c2cc[nH+]c(C3CC3)n2)CC1 ZINC000176815831 402340044 /nfs/dbraw/zinc/34/00/44/402340044.db2.gz SRMTYUQTGPOLFS-UHFFFAOYSA-N 2 2 304.438 2.291 10 0 DEAELP C[C@@H]([NH2+]Cc1cc(C(N)=O)co1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000187726727 402509843 /nfs/dbraw/zinc/50/98/43/402509843.db2.gz ISYPOMAQGLYMSQ-GFCCVEGCSA-N 2 2 310.357 2.415 10 0 DEAELP Cc1cnn(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000245699396 402480689 /nfs/dbraw/zinc/48/06/89/402480689.db2.gz QMHHBXKYQQGFSJ-SJLPKXTDSA-N 2 2 313.449 2.087 10 0 DEAELP Cc1cnn(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000245699396 402480691 /nfs/dbraw/zinc/48/06/91/402480691.db2.gz QMHHBXKYQQGFSJ-SJLPKXTDSA-N 2 2 313.449 2.087 10 0 DEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)NCc1cccs1 ZINC000178308989 402483488 /nfs/dbraw/zinc/48/34/88/402483488.db2.gz PJHAPSWRKQNSAL-CQSZACIVSA-N 2 2 318.446 2.034 10 0 DEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)NCc1cccs1 ZINC000178308989 402483493 /nfs/dbraw/zinc/48/34/93/402483493.db2.gz PJHAPSWRKQNSAL-CQSZACIVSA-N 2 2 318.446 2.034 10 0 DEAELP CCCS(=O)(=O)CC[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189909553 402566229 /nfs/dbraw/zinc/56/62/29/402566229.db2.gz JGIWVLVCDQSXJA-AWEZNQCLSA-N 2 2 321.446 2.348 10 0 DEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N2C[C@H](C)C[C@@H](C)C2)[C@H](C)C1 ZINC000246440483 402531207 /nfs/dbraw/zinc/53/12/07/402531207.db2.gz DOOSFPZCKZCRRT-VQHPVUNQSA-N 2 2 309.498 2.153 10 0 DEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N2C[C@H](C)C[C@@H](C)C2)[C@H](C)C1 ZINC000246440483 402531208 /nfs/dbraw/zinc/53/12/08/402531208.db2.gz DOOSFPZCKZCRRT-VQHPVUNQSA-N 2 2 309.498 2.153 10 0 DEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N2C[C@H](C)C[C@@H](C)C2)[C@H](C)C1 ZINC000246440483 402531209 /nfs/dbraw/zinc/53/12/09/402531209.db2.gz DOOSFPZCKZCRRT-VQHPVUNQSA-N 2 2 309.498 2.153 10 0 DEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N2C[C@H](C)C[C@@H](C)C2)[C@H](C)C1 ZINC000246440483 402531213 /nfs/dbraw/zinc/53/12/13/402531213.db2.gz DOOSFPZCKZCRRT-VQHPVUNQSA-N 2 2 309.498 2.153 10 0 DEAELP Cc1c([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)cnn1C(C)(C)C ZINC000191202945 402650533 /nfs/dbraw/zinc/65/05/33/402650533.db2.gz ZTOLGECSZLSKEW-HOCLYGCPSA-N 2 2 322.497 2.444 10 0 DEAELP C1CCC([NH+]2CCC([NH2+][C@H]3CCC[C@@H]3[C@H]3COCC[NH2+]3)CC2)C1 ZINC000261841635 402718269 /nfs/dbraw/zinc/71/82/69/402718269.db2.gz ALSGZBGVWISSNO-GBESFXJTSA-N 3 2 321.509 2.140 10 0 DEAELP COc1cc[nH+]c(N2CC[NH+](C[C@H](O)CC3CCCC3)CC2)c1 ZINC000191333268 402661638 /nfs/dbraw/zinc/66/16/38/402661638.db2.gz HONACZVSBZGJCL-MRXNPFEDSA-N 2 2 319.449 2.153 10 0 DEAELP Cc1cc(=O)[nH]c([C@H](C)[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)n1 ZINC000192598657 402739462 /nfs/dbraw/zinc/73/94/62/402739462.db2.gz GBYGUYOOPBDPBX-UONOGXRCSA-N 2 2 313.405 2.381 10 0 DEAELP Cc1cc(=O)[nH]c([C@H](C)[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)n1 ZINC000192598657 402739464 /nfs/dbraw/zinc/73/94/64/402739464.db2.gz GBYGUYOOPBDPBX-UONOGXRCSA-N 2 2 313.405 2.381 10 0 DEAELP COC(=O)[C@H]1C[C@H](c2ccccc2)C[N@H+](CC[NH2+]C(C)C)C1 ZINC000193476514 402771693 /nfs/dbraw/zinc/77/16/93/402771693.db2.gz CSPWRQUPJPKAEX-IRXDYDNUSA-N 2 2 304.434 2.263 10 0 DEAELP COC(=O)[C@H]1C[C@H](c2ccccc2)C[N@@H+](CC[NH2+]C(C)C)C1 ZINC000193476514 402771694 /nfs/dbraw/zinc/77/16/94/402771694.db2.gz CSPWRQUPJPKAEX-IRXDYDNUSA-N 2 2 304.434 2.263 10 0 DEAELP CC(C)N(C)C(=O)[C@H](C)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000175252472 402791422 /nfs/dbraw/zinc/79/14/22/402791422.db2.gz XLVVJOXSZNCLJO-LSDHHAIUSA-N 2 2 304.438 2.071 10 0 DEAELP CC(C)N(C)C(=O)[C@H](C)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000175252472 402791423 /nfs/dbraw/zinc/79/14/23/402791423.db2.gz XLVVJOXSZNCLJO-LSDHHAIUSA-N 2 2 304.438 2.071 10 0 DEAELP Cc1cn2cc(NC(=O)N3C[C@H]4CCC[N@H+]4C[C@@H]3C)ccc2[nH+]1 ZINC000271233473 403282215 /nfs/dbraw/zinc/28/22/15/403282215.db2.gz DSJVDPDQPCKWHK-DZGCQCFKSA-N 2 2 313.405 2.343 10 0 DEAELP Cc1cn2cc(NC(=O)N3C[C@H]4CCC[N@@H+]4C[C@@H]3C)ccc2[nH+]1 ZINC000271233473 403282217 /nfs/dbraw/zinc/28/22/17/403282217.db2.gz DSJVDPDQPCKWHK-DZGCQCFKSA-N 2 2 313.405 2.343 10 0 DEAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCSC[C@H]1CCO ZINC000361829851 403891704 /nfs/dbraw/zinc/89/17/04/403891704.db2.gz IVTMKEDLEGTDIG-QGZVFWFLSA-N 2 2 317.458 2.481 10 0 DEAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCSC[C@H]1CCO ZINC000361829851 403891713 /nfs/dbraw/zinc/89/17/13/403891713.db2.gz IVTMKEDLEGTDIG-QGZVFWFLSA-N 2 2 317.458 2.481 10 0 DEAELP c1cn(-c2csc(C[NH2+][C@H]3CCO[C@]4(CCOC4)C3)c2)c[nH+]1 ZINC000344332157 404064860 /nfs/dbraw/zinc/06/48/60/404064860.db2.gz YFCLWIXPCIWBGS-XJKSGUPXSA-N 2 2 319.430 2.362 10 0 DEAELP c1cncc(C[NH2+]CCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000414857271 404750122 /nfs/dbraw/zinc/75/01/22/404750122.db2.gz CHYDDTBYXMVUER-KZNAEPCWSA-N 3 2 302.466 2.072 10 0 DEAELP c1ccc(CC[NH+]2CCC([NH2+]CC[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000414905468 404762841 /nfs/dbraw/zinc/76/28/41/404762841.db2.gz NYADGKXATJNBRU-GOSISDBHSA-N 3 2 301.478 2.425 10 0 DEAELP O=C(CCn1cc[nH+]c1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000360927130 404854031 /nfs/dbraw/zinc/85/40/31/404854031.db2.gz DAPPJYJVPMKIEZ-KRWDZBQOSA-N 2 2 318.465 2.388 10 0 DEAELP C[C@H]1CCOCC[N@@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000367460166 405056612 /nfs/dbraw/zinc/05/66/12/405056612.db2.gz YYGYOZSLWUJJDX-PKOBYXMFSA-N 2 2 318.461 2.388 10 0 DEAELP C[C@H]1CCOCC[N@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000367460166 405056613 /nfs/dbraw/zinc/05/66/13/405056613.db2.gz YYGYOZSLWUJJDX-PKOBYXMFSA-N 2 2 318.461 2.388 10 0 DEAELP C[C@H]1CCOCC[NH+]1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000367460166 405056614 /nfs/dbraw/zinc/05/66/14/405056614.db2.gz YYGYOZSLWUJJDX-PKOBYXMFSA-N 2 2 318.461 2.388 10 0 DEAELP C[C@H]1CCOCC[NH+]1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000367460166 405056615 /nfs/dbraw/zinc/05/66/15/405056615.db2.gz YYGYOZSLWUJJDX-PKOBYXMFSA-N 2 2 318.461 2.388 10 0 DEAELP c1cc(-c2noc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)n2)co1 ZINC000420376942 405337783 /nfs/dbraw/zinc/33/77/83/405337783.db2.gz AULWPDUFZZULSL-TZMCWYRMSA-N 2 2 302.378 2.294 10 0 DEAELP c1cc(-c2noc(C[N@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)n2)co1 ZINC000420376942 405337787 /nfs/dbraw/zinc/33/77/87/405337787.db2.gz AULWPDUFZZULSL-TZMCWYRMSA-N 2 2 302.378 2.294 10 0 DEAELP Cn1ccc([C@H]([NH2+]CCc2c[nH+]cn2C)c2ccc(F)cc2)n1 ZINC000530355027 405786670 /nfs/dbraw/zinc/78/66/70/405786670.db2.gz VLTNDNIGSPNDFW-QGZVFWFLSA-N 2 2 313.380 2.214 10 0 DEAELP CCn1nncc1C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000459324381 405854458 /nfs/dbraw/zinc/85/44/58/405854458.db2.gz KJQVDYBDYWKHFK-INIZCTEOSA-N 2 2 305.470 2.242 10 0 DEAELP CCn1nncc1C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000459324381 405854468 /nfs/dbraw/zinc/85/44/68/405854468.db2.gz KJQVDYBDYWKHFK-INIZCTEOSA-N 2 2 305.470 2.242 10 0 DEAELP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@H+](C)CCN2Cc2ccccc2)CS1 ZINC000639327188 406046893 /nfs/dbraw/zinc/04/68/93/406046893.db2.gz LMPNHJSMJAYARN-NJAFHUGGSA-N 2 2 319.518 2.286 10 0 DEAELP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@@H+](C)CCN2Cc2ccccc2)CS1 ZINC000639327188 406046897 /nfs/dbraw/zinc/04/68/97/406046897.db2.gz LMPNHJSMJAYARN-NJAFHUGGSA-N 2 2 319.518 2.286 10 0 DEAELP c1[nH+]c([C@@H]2CCC[N@@H+](CCc3cnccn3)C2)n2c1CCCC2 ZINC000639626333 406175503 /nfs/dbraw/zinc/17/55/03/406175503.db2.gz PACIGBCAFRIHMC-OAHLLOKOSA-N 2 2 311.433 2.432 10 0 DEAELP c1[nH+]c([C@@H]2CCC[N@H+](CCc3cnccn3)C2)n2c1CCCC2 ZINC000639626333 406175508 /nfs/dbraw/zinc/17/55/08/406175508.db2.gz PACIGBCAFRIHMC-OAHLLOKOSA-N 2 2 311.433 2.432 10 0 DEAELP c1cc(C[NH2+]CCC[C@H]2CCO2)cc(C[NH+]2CCOCC2)c1 ZINC000638386378 406740113 /nfs/dbraw/zinc/74/01/13/406740113.db2.gz LMVIOXBSWTXOPA-SFHVURJKSA-N 2 2 304.434 2.178 10 0 DEAELP Cc1cc(Br)cc2[nH+]c(C[C@H]3C[NH2+]CCO3)[nH]c21 ZINC000129608383 196061406 /nfs/dbraw/zinc/06/14/06/196061406.db2.gz PVTOMKHWMGORCG-JTQLQIEISA-N 2 2 310.195 2.165 10 0 DEAELP [NH3+]CCc1[nH+]ccn1Cc1cc(Br)cc2c1OCC2 ZINC000131081064 196137613 /nfs/dbraw/zinc/13/76/13/196137613.db2.gz FGSLBJNEIIGXEE-UHFFFAOYSA-N 2 2 322.206 2.130 10 0 DEAELP CCCNc1nc(NCC[N@H+](C)CC)c(Br)c[nH+]1 ZINC000132838116 196289535 /nfs/dbraw/zinc/28/95/35/196289535.db2.gz PDSDPJRAPYXCDB-UHFFFAOYSA-N 2 2 316.247 2.425 10 0 DEAELP CCCNc1nc(NCC[N@@H+](C)CC)c(Br)c[nH+]1 ZINC000132838116 196289537 /nfs/dbraw/zinc/28/95/37/196289537.db2.gz PDSDPJRAPYXCDB-UHFFFAOYSA-N 2 2 316.247 2.425 10 0 DEAELP COc1cc(C[N@H+](C)CCC[NH3+])c(OC)cc1Br ZINC000133790835 196335313 /nfs/dbraw/zinc/33/53/13/196335313.db2.gz IPMZLUYTXBWVML-UHFFFAOYSA-N 2 2 317.227 2.247 10 0 DEAELP COc1cc(C[N@@H+](C)CCC[NH3+])c(OC)cc1Br ZINC000133790835 196335315 /nfs/dbraw/zinc/33/53/15/196335315.db2.gz IPMZLUYTXBWVML-UHFFFAOYSA-N 2 2 317.227 2.247 10 0 DEAELP Cn1nccc1[C@@H]1OCC[C@H]1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000299742818 229380367 /nfs/dbraw/zinc/38/03/67/229380367.db2.gz KQXNVJNSNHSDFC-WMLDXEAASA-N 2 2 315.421 2.031 10 0 DEAELP c1ccc(OC2CCC2)c(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)c1 ZINC000422915782 230276834 /nfs/dbraw/zinc/27/68/34/230276834.db2.gz YZNPRTDMNJKRAX-MOPGFXCFSA-N 2 2 316.445 2.475 10 0 DEAELP Cc1ccc(OC[C@H](O)C[NH+]2CCC([NH+](C)C)CC2)c(C)c1 ZINC000193811708 424871219 /nfs/dbraw/zinc/87/12/19/424871219.db2.gz QZGSJZKXVQGODQ-QGZVFWFLSA-N 2 2 306.450 2.069 10 0 DEAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(OC)cc2)[C@H](C)C1 ZINC000081094750 267378412 /nfs/dbraw/zinc/37/84/12/267378412.db2.gz AHNABWBNEGNJAD-RHSMWYFYSA-N 2 2 319.449 2.296 10 0 DEAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(OC)cc2)[C@H](C)C1 ZINC000081094750 267378417 /nfs/dbraw/zinc/37/84/17/267378417.db2.gz AHNABWBNEGNJAD-RHSMWYFYSA-N 2 2 319.449 2.296 10 0 DEAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc(OC)cc2)[C@H](C)C1 ZINC000081094750 267378422 /nfs/dbraw/zinc/37/84/22/267378422.db2.gz AHNABWBNEGNJAD-RHSMWYFYSA-N 2 2 319.449 2.296 10 0 DEAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc(OC)cc2)[C@H](C)C1 ZINC000081094750 267378424 /nfs/dbraw/zinc/37/84/24/267378424.db2.gz AHNABWBNEGNJAD-RHSMWYFYSA-N 2 2 319.449 2.296 10 0 DEAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N(C)c2ccccc2)[C@H](C)C1 ZINC000081096297 267378706 /nfs/dbraw/zinc/37/87/06/267378706.db2.gz LFADHMHNYADZQF-NVXWUHKLSA-N 2 2 303.450 2.312 10 0 DEAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N(C)c2ccccc2)[C@H](C)C1 ZINC000081096297 267378707 /nfs/dbraw/zinc/37/87/07/267378707.db2.gz LFADHMHNYADZQF-NVXWUHKLSA-N 2 2 303.450 2.312 10 0 DEAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N(C)c2ccccc2)[C@H](C)C1 ZINC000081096297 267378711 /nfs/dbraw/zinc/37/87/11/267378711.db2.gz LFADHMHNYADZQF-NVXWUHKLSA-N 2 2 303.450 2.312 10 0 DEAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N(C)c2ccccc2)[C@H](C)C1 ZINC000081096297 267378715 /nfs/dbraw/zinc/37/87/15/267378715.db2.gz LFADHMHNYADZQF-NVXWUHKLSA-N 2 2 303.450 2.312 10 0 DEAELP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)C1 ZINC000393917876 269100754 /nfs/dbraw/zinc/10/07/54/269100754.db2.gz YZQMHLWQPVDWBN-ILXRZTDVSA-N 2 2 311.470 2.364 10 0 DEAELP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)C1 ZINC000393917876 269100755 /nfs/dbraw/zinc/10/07/55/269100755.db2.gz YZQMHLWQPVDWBN-ILXRZTDVSA-N 2 2 311.470 2.364 10 0 DEAELP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)C1 ZINC000393917877 269100771 /nfs/dbraw/zinc/10/07/71/269100771.db2.gz YZQMHLWQPVDWBN-KKUMJFAQSA-N 2 2 311.470 2.364 10 0 DEAELP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)C1 ZINC000393917877 269100772 /nfs/dbraw/zinc/10/07/72/269100772.db2.gz YZQMHLWQPVDWBN-KKUMJFAQSA-N 2 2 311.470 2.364 10 0 DEAELP Cc1cc(N2CCO[C@@H](C[NH+](C)C)C2)c2cccc(F)c2[nH+]1 ZINC000124920586 274708906 /nfs/dbraw/zinc/70/89/06/274708906.db2.gz BMNRPBQTGAFJQC-ZDUSSCGKSA-N 2 2 303.381 2.449 10 0 DEAELP CC1(C)C[N@H+](CC(=O)N2CCC[C@@H]3CCCC[C@H]32)CC[C@@H]1[NH3+] ZINC000262532312 276131014 /nfs/dbraw/zinc/13/10/14/276131014.db2.gz PTXKPAHEOACVGE-XHSDSOJGSA-N 2 2 307.482 2.227 10 0 DEAELP CC1(C)C[N@@H+](CC(=O)N2CCC[C@@H]3CCCC[C@H]32)CC[C@@H]1[NH3+] ZINC000262532312 276131018 /nfs/dbraw/zinc/13/10/18/276131018.db2.gz PTXKPAHEOACVGE-XHSDSOJGSA-N 2 2 307.482 2.227 10 0 DEAELP CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCOCC2)c1 ZINC000153097967 278209361 /nfs/dbraw/zinc/20/93/61/278209361.db2.gz AEBZWLKBNQMDJV-HUUCEWRRSA-N 2 2 319.449 2.264 10 0 DEAELP C[NH2+]C1CC[NH+](Cc2ccc(OC[C@H]3CCCO3)cc2)CC1 ZINC000262111828 536440339 /nfs/dbraw/zinc/44/03/39/536440339.db2.gz KMRGHWBUVJETSA-GOSISDBHSA-N 2 2 304.434 2.428 10 0 DEAELP CC(C)[C@H]1C[C@@H]1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000249380012 535251421 /nfs/dbraw/zinc/25/14/21/535251421.db2.gz ZRVFMCHDZIMIKI-CIQAELJKSA-N 2 2 319.493 2.048 10 0 DEAELP CC(C)[C@H]1C[C@@H]1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000249380012 535251426 /nfs/dbraw/zinc/25/14/26/535251426.db2.gz ZRVFMCHDZIMIKI-CIQAELJKSA-N 2 2 319.493 2.048 10 0 DEAELP CC1CCC(N(C)C(=O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC000246725383 535260239 /nfs/dbraw/zinc/26/02/39/535260239.db2.gz LVJYVICMIBYIGA-ODZFXCKXSA-N 2 2 309.498 2.438 10 0 DEAELP CC1CCC(N(C)C(=O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC000246725383 535260244 /nfs/dbraw/zinc/26/02/44/535260244.db2.gz LVJYVICMIBYIGA-ODZFXCKXSA-N 2 2 309.498 2.438 10 0 DEAELP Cc1c(-c2nnc([C@H]3C[N@@H+](C)C[C@@H](C)O3)o2)ccc2c[nH+]cn21 ZINC000888079014 625060029 /nfs/dbraw/zinc/06/00/29/625060029.db2.gz WAFMILDDUINKCJ-QMTHXVAHSA-N 2 2 313.361 2.084 10 0 DEAELP Cc1c(-c2nnc([C@H]3C[N@H+](C)C[C@@H](C)O3)o2)ccc2c[nH+]cn21 ZINC000888079014 625060032 /nfs/dbraw/zinc/06/00/32/625060032.db2.gz WAFMILDDUINKCJ-QMTHXVAHSA-N 2 2 313.361 2.084 10 0 DEAELP CC1(C)[C@H]2C[NH2+]C[C@@H]2C[N@@H+]1Cc1cc2c(c(Cl)c1)OCO2 ZINC000090337889 185291909 /nfs/dbraw/zinc/29/19/09/185291909.db2.gz GFTLBTNHJPJPPH-NEPJUHHUSA-N 2 2 308.809 2.499 10 0 DEAELP CC1(C)[C@H]2C[NH2+]C[C@@H]2C[N@H+]1Cc1cc2c(c(Cl)c1)OCO2 ZINC000090337889 185291910 /nfs/dbraw/zinc/29/19/10/185291910.db2.gz GFTLBTNHJPJPPH-NEPJUHHUSA-N 2 2 308.809 2.499 10 0 DEAELP Cc1[nH+]cn(-c2cc3c(cc2Br)[C@@H]([NH3+])C(=O)N3)c1C ZINC000092776225 185339825 /nfs/dbraw/zinc/33/98/25/185339825.db2.gz SYLNBPNXWOTCMI-GFCCVEGCSA-N 2 2 321.178 2.204 10 0 DEAELP [NH3+]C[C@H]([NH2+]C[C@@H]1CCCO1)c1cc(Br)cs1 ZINC000083774352 192382324 /nfs/dbraw/zinc/38/23/24/192382324.db2.gz NBSGKZQJYLGWFH-UWVGGRQHSA-N 2 2 305.241 2.279 10 0 DEAELP C[C@@H](c1ccncc1)[NH+]1CCN(C(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000071700497 191009808 /nfs/dbraw/zinc/00/98/08/191009808.db2.gz YSJLLAZLSKLMOT-HNNXBMFYSA-N 2 2 324.428 2.059 10 0 DEAELP CC(C(=O)Nc1cccc(Cl)c1-n1cc[nH+]c1)=C1C[NH2+]C1 ZINC000163932414 186142819 /nfs/dbraw/zinc/14/28/19/186142819.db2.gz NQUJHOCECSFELB-UHFFFAOYSA-N 2 2 302.765 2.384 10 0 DEAELP CCOC(=O)[C@H](CC)[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000173779865 198250414 /nfs/dbraw/zinc/25/04/14/198250414.db2.gz COXWBQQWQVGDEL-CABCVRRESA-N 2 2 305.422 2.466 10 0 DEAELP CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000179864372 356035992 /nfs/dbraw/zinc/03/59/92/356035992.db2.gz VQHISLLQGZTCJX-HNNXBMFYSA-N 2 2 300.406 2.167 10 0 DEAELP CCN(CC)C(=O)[C@@H]1CCC[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000179864372 356035998 /nfs/dbraw/zinc/03/59/98/356035998.db2.gz VQHISLLQGZTCJX-HNNXBMFYSA-N 2 2 300.406 2.167 10 0 DEAELP c1[nH]c2c([nH+]1)CC[C@H]([NH2+][C@@H]1C[C@@]3(CC[NH2+]C3)Oc3ccccc31)C2 ZINC000579825273 357036581 /nfs/dbraw/zinc/03/65/81/357036581.db2.gz UGWJFGXFWRMWFW-BOFPYLFWSA-N 3 2 324.428 2.113 10 0 DEAELP c1[nH]c2c([nH+]1)C[C@@H]([NH2+][C@@H]1C[C@@]3(CC[NH2+]C3)Oc3ccccc31)CC2 ZINC000579825273 357036583 /nfs/dbraw/zinc/03/65/83/357036583.db2.gz UGWJFGXFWRMWFW-BOFPYLFWSA-N 3 2 324.428 2.113 10 0 DEAELP CCCC(=O)N[C@@H]1CCC[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000179932184 199096439 /nfs/dbraw/zinc/09/64/39/199096439.db2.gz NNSRHKKMOZGPTH-CQSZACIVSA-N 2 2 300.406 2.215 10 0 DEAELP CCCC(=O)N[C@@H]1CCC[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000179932184 199096440 /nfs/dbraw/zinc/09/64/40/199096440.db2.gz NNSRHKKMOZGPTH-CQSZACIVSA-N 2 2 300.406 2.215 10 0 DEAELP CN(c1cccnn1)C1CC[NH+](Cc2cccc3[nH+]ccn32)CC1 ZINC000180080063 199114528 /nfs/dbraw/zinc/11/45/28/199114528.db2.gz RYWPUGRXKYWGGK-UHFFFAOYSA-N 2 2 322.416 2.225 10 0 DEAELP Cn1c[nH+]cc1[C@H]1C[C@@H]([NH2+]Cc2cccc3c2OCO3)CCO1 ZINC000275399926 212310261 /nfs/dbraw/zinc/31/02/61/212310261.db2.gz CLEHTMPPIBJAKN-XJKSGUPXSA-N 2 2 315.373 2.159 10 0 DEAELP C[N@H+](Cc1cccc(Cl)c1)[C@@H](C[NH3+])CC(=O)N1CCCC1 ZINC000091323353 193040619 /nfs/dbraw/zinc/04/06/19/193040619.db2.gz JTJAPCPDEDXLFU-OAHLLOKOSA-N 2 2 309.841 2.112 10 0 DEAELP C[N@@H+](Cc1cccc(Cl)c1)[C@@H](C[NH3+])CC(=O)N1CCCC1 ZINC000091323353 193040622 /nfs/dbraw/zinc/04/06/22/193040622.db2.gz JTJAPCPDEDXLFU-OAHLLOKOSA-N 2 2 309.841 2.112 10 0 DEAELP C[NH2+][C@H](Cc1ccc(OC)c(Br)c1)C[NH+](C)C ZINC000091719677 193097500 /nfs/dbraw/zinc/09/75/00/193097500.db2.gz KFUXNRDFTHFAOP-LLVKDONJSA-N 2 2 301.228 2.150 10 0 DEAELP Brc1cnccc1C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631888998 368445612 /nfs/dbraw/zinc/44/56/12/368445612.db2.gz BATKFRNEJYFVBK-SMDDNHRTSA-N 2 2 310.239 2.418 10 0 DEAELP Brc1cnccc1C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631888998 368445619 /nfs/dbraw/zinc/44/56/19/368445619.db2.gz BATKFRNEJYFVBK-SMDDNHRTSA-N 2 2 310.239 2.418 10 0 DEAELP C[N@H+](CC(C)(C)O)[C@H](C[NH3+])c1ccc(Br)cc1 ZINC000092958545 193188809 /nfs/dbraw/zinc/18/88/09/193188809.db2.gz CTSTZZJYOGMBAT-GFCCVEGCSA-N 2 2 301.228 2.152 10 0 DEAELP C[N@@H+](CC(C)(C)O)[C@H](C[NH3+])c1ccc(Br)cc1 ZINC000092958545 193188810 /nfs/dbraw/zinc/18/88/10/193188810.db2.gz CTSTZZJYOGMBAT-GFCCVEGCSA-N 2 2 301.228 2.152 10 0 DEAELP COc1c(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c(C)nn1C ZINC000093563965 193268296 /nfs/dbraw/zinc/26/82/96/193268296.db2.gz KMRBWVGGDVZVLW-OAHLLOKOSA-N 2 2 306.454 2.187 10 0 DEAELP COc1c(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c(C)nn1C ZINC000093563965 193268299 /nfs/dbraw/zinc/26/82/99/193268299.db2.gz KMRBWVGGDVZVLW-OAHLLOKOSA-N 2 2 306.454 2.187 10 0 DEAELP CCC[NH2+][C@H](Cc1ccccc1Cl)[C@H]1C[N@H+](C)CCN1C ZINC000093895866 193325433 /nfs/dbraw/zinc/32/54/33/193325433.db2.gz WCZXVTQCXRCCQW-IAGOWNOFSA-N 2 2 309.885 2.497 10 0 DEAELP CCC[NH2+][C@H](Cc1ccccc1Cl)[C@H]1C[N@@H+](C)CCN1C ZINC000093895866 193325435 /nfs/dbraw/zinc/32/54/35/193325435.db2.gz WCZXVTQCXRCCQW-IAGOWNOFSA-N 2 2 309.885 2.497 10 0 DEAELP CC[NH+](CC)C(C)(C)[C@H]([NH2+]C)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094642879 193388547 /nfs/dbraw/zinc/38/85/47/193388547.db2.gz TZLRFBKQSJZHFL-QLFBSQMISA-N 2 2 318.527 2.298 10 0 DEAELP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530219029 284376379 /nfs/dbraw/zinc/37/63/79/284376379.db2.gz YPIWWLNTERGWRT-CGTJXYLNSA-N 3 2 313.445 2.117 10 0 DEAELP COc1c(Cl)cc(C[NH2+]CC[NH2+]C[C@H](C)O)cc1Cl ZINC000020967750 182256934 /nfs/dbraw/zinc/25/69/34/182256934.db2.gz ASKIVWIHGDYXAN-VIFPVBQESA-N 2 2 307.221 2.062 10 0 DEAELP Cc1cccc(C(=O)N2C[C@@H](C)[N@H+](CCC[NH+](C)C)[C@@H](C)C2)c1 ZINC000036124715 182804143 /nfs/dbraw/zinc/80/41/43/182804143.db2.gz WZVVJDYSDNFMTK-CALCHBBNSA-N 2 2 317.477 2.482 10 0 DEAELP Cc1cccc(C(=O)N2C[C@@H](C)[N@@H+](CCC[NH+](C)C)[C@@H](C)C2)c1 ZINC000036124715 182804144 /nfs/dbraw/zinc/80/41/44/182804144.db2.gz WZVVJDYSDNFMTK-CALCHBBNSA-N 2 2 317.477 2.482 10 0 DEAELP Cc1[nH+]c2c(C)cccn2c1CC(=O)N(C)C1CC[NH+](C)CC1 ZINC000041292513 183183427 /nfs/dbraw/zinc/18/34/27/183183427.db2.gz PEWYKZNBYYHNQE-UHFFFAOYSA-N 2 2 314.433 2.046 10 0 DEAELP CC[C@H]([NH3+])[C@@H](c1sccc1C)[N@@H+]1CCCC[C@@H]1C(=O)NC ZINC000043248708 183346791 /nfs/dbraw/zinc/34/67/91/183346791.db2.gz XKHAEGZQYTWBNT-MJBXVCDLSA-N 2 2 309.479 2.435 10 0 DEAELP CC[C@H]([NH3+])[C@@H](c1sccc1C)[N@H+]1CCCC[C@@H]1C(=O)NC ZINC000043248708 183346793 /nfs/dbraw/zinc/34/67/93/183346793.db2.gz XKHAEGZQYTWBNT-MJBXVCDLSA-N 2 2 309.479 2.435 10 0 DEAELP CC[C@H]([NH3+])[C@H](c1sccc1C)[NH+]1CCC(CC(N)=O)CC1 ZINC000043248754 183346946 /nfs/dbraw/zinc/34/69/46/183346946.db2.gz MGTYBGLRYSDMCE-DZGCQCFKSA-N 2 2 309.479 2.422 10 0 DEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2nnc(C3CC3)n2C)C1 ZINC000105897867 194163304 /nfs/dbraw/zinc/16/33/04/194163304.db2.gz FFAMPRDNMPVKSU-CQSZACIVSA-N 2 2 314.437 2.289 10 0 DEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2nnc(C3CC3)n2C)C1 ZINC000105897867 194163306 /nfs/dbraw/zinc/16/33/06/194163306.db2.gz FFAMPRDNMPVKSU-CQSZACIVSA-N 2 2 314.437 2.289 10 0 DEAELP C[N@H+](CC1CCOCC1)[C@@H](C[NH3+])c1cc(F)c(F)c(F)c1 ZINC000111159909 194398164 /nfs/dbraw/zinc/39/81/64/194398164.db2.gz SNPAFLHBTWRZPN-AWEZNQCLSA-N 2 2 302.340 2.462 10 0 DEAELP C[N@@H+](CC1CCOCC1)[C@@H](C[NH3+])c1cc(F)c(F)c(F)c1 ZINC000111159909 194398165 /nfs/dbraw/zinc/39/81/65/194398165.db2.gz SNPAFLHBTWRZPN-AWEZNQCLSA-N 2 2 302.340 2.462 10 0 DEAELP Cc1cc(NC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)cc[nH+]1 ZINC000119818302 195042710 /nfs/dbraw/zinc/04/27/10/195042710.db2.gz ZTDBPMAWSMEWIK-MRXNPFEDSA-N 2 2 318.421 2.109 10 0 DEAELP C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000270262557 208330029 /nfs/dbraw/zinc/33/00/29/208330029.db2.gz RUHXSZOUQLVGEP-GASCZTMLSA-N 2 2 312.417 2.096 10 0 DEAELP C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000270262557 208330036 /nfs/dbraw/zinc/33/00/36/208330036.db2.gz RUHXSZOUQLVGEP-GASCZTMLSA-N 2 2 312.417 2.096 10 0 DEAELP CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000158200093 197252533 /nfs/dbraw/zinc/25/25/33/197252533.db2.gz SZUYHMYZKJBIJM-FZQKWOKYSA-N 2 2 313.804 2.078 10 0 DEAELP CC[N@H+]1CC[C@@H](NC(=O)[C@@H](C)[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000158200093 197252535 /nfs/dbraw/zinc/25/25/35/197252535.db2.gz SZUYHMYZKJBIJM-FZQKWOKYSA-N 2 2 313.804 2.078 10 0 DEAELP CCOCC[N@@H+]1CCN(Cc2c[nH+]c3c(C)cccn23)C[C@@H]1C ZINC000120888807 195257815 /nfs/dbraw/zinc/25/78/15/195257815.db2.gz HWVSWDWKHFUMQL-INIZCTEOSA-N 2 2 316.449 2.185 10 0 DEAELP CCOCC[N@H+]1CCN(Cc2c[nH+]c3c(C)cccn23)C[C@@H]1C ZINC000120888807 195257816 /nfs/dbraw/zinc/25/78/16/195257816.db2.gz HWVSWDWKHFUMQL-INIZCTEOSA-N 2 2 316.449 2.185 10 0 DEAELP c1[nH]c2c([nH+]1)CC[C@H]([NH2+]Cc1cnn(Cc3ccccc3)c1)C2 ZINC000368091974 133259693 /nfs/dbraw/zinc/25/96/93/133259693.db2.gz YLGBZXSBWGXMQH-INIZCTEOSA-N 2 2 307.401 2.302 10 0 DEAELP c1[nH]c2c([nH+]1)C[C@@H]([NH2+]Cc1cnn(Cc3ccccc3)c1)CC2 ZINC000368091974 133259694 /nfs/dbraw/zinc/25/96/94/133259694.db2.gz YLGBZXSBWGXMQH-INIZCTEOSA-N 2 2 307.401 2.302 10 0 DEAELP Clc1ccc2[nH+]ccc(N3CC[N@@H+]4CCOC[C@H]4C3)c2c1 ZINC000371802501 404473986 /nfs/dbraw/zinc/47/39/86/404473986.db2.gz LBHBHIDJKHYVFL-CYBMUJFWSA-N 2 2 303.793 2.409 10 0 DEAELP Clc1ccc2[nH+]ccc(N3CC[N@H+]4CCOC[C@H]4C3)c2c1 ZINC000371802501 404473987 /nfs/dbraw/zinc/47/39/87/404473987.db2.gz LBHBHIDJKHYVFL-CYBMUJFWSA-N 2 2 303.793 2.409 10 0 DEAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(C)OCCCO1 ZINC000190644036 145045524 /nfs/dbraw/zinc/04/55/24/145045524.db2.gz VOVITRLYMZJLPR-WBVHZDCISA-N 2 2 319.449 2.035 10 0 DEAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(C)OCCCO1 ZINC000190644036 145045525 /nfs/dbraw/zinc/04/55/25/145045525.db2.gz VOVITRLYMZJLPR-WBVHZDCISA-N 2 2 319.449 2.035 10 0 DEAELP C[C@H](NC(=O)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)c1ccc(Cl)cc1 ZINC000193604231 145088183 /nfs/dbraw/zinc/08/81/83/145088183.db2.gz FYYRHZATQQECMC-AEGPPILISA-N 2 2 321.852 2.011 10 0 DEAELP C[C@H](NC(=O)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)c1ccc(Cl)cc1 ZINC000193604231 145088184 /nfs/dbraw/zinc/08/81/84/145088184.db2.gz FYYRHZATQQECMC-AEGPPILISA-N 2 2 321.852 2.011 10 0 DEAELP C[C@H](NC(=O)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1)c1ccc(Cl)cc1 ZINC000193604231 145088185 /nfs/dbraw/zinc/08/81/85/145088185.db2.gz FYYRHZATQQECMC-AEGPPILISA-N 2 2 321.852 2.011 10 0 DEAELP C[C@H](NC(=O)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1)c1ccc(Cl)cc1 ZINC000193604231 145088186 /nfs/dbraw/zinc/08/81/86/145088186.db2.gz FYYRHZATQQECMC-AEGPPILISA-N 2 2 321.852 2.011 10 0 DEAELP CCc1ccc2c(C[N@H+]3C[C@H]4C[NH+](C)C[C@H]4C3)cc(=O)oc2c1 ZINC000193648926 145089053 /nfs/dbraw/zinc/08/90/53/145089053.db2.gz FJWLISPPEUAIMK-IYBDPMFKSA-N 2 2 312.413 2.349 10 0 DEAELP CCc1ccc2c(C[N@@H+]3C[C@H]4C[NH+](C)C[C@H]4C3)cc(=O)oc2c1 ZINC000193648926 145089055 /nfs/dbraw/zinc/08/90/55/145089055.db2.gz FJWLISPPEUAIMK-IYBDPMFKSA-N 2 2 312.413 2.349 10 0 DEAELP CCc1ccc2c(C[NH+]3C[C@H]4C[N@@H+](C)C[C@H]4C3)cc(=O)oc2c1 ZINC000193648926 145089056 /nfs/dbraw/zinc/08/90/56/145089056.db2.gz FJWLISPPEUAIMK-IYBDPMFKSA-N 2 2 312.413 2.349 10 0 DEAELP CCc1ccc2c(C[NH+]3C[C@H]4C[N@H+](C)C[C@H]4C3)cc(=O)oc2c1 ZINC000193648926 145089058 /nfs/dbraw/zinc/08/90/58/145089058.db2.gz FJWLISPPEUAIMK-IYBDPMFKSA-N 2 2 312.413 2.349 10 0 DEAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(-n3cc[nH+]c3)nc2)[C@@H](C)C1 ZINC000246402969 145101745 /nfs/dbraw/zinc/10/17/45/145101745.db2.gz AOXWVKZEGZIEHL-RDJZCZTQSA-N 3 2 313.449 2.429 10 0 DEAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(-n3cc[nH+]c3)nc2)[C@@H](C)C1 ZINC000246402969 145101746 /nfs/dbraw/zinc/10/17/46/145101746.db2.gz AOXWVKZEGZIEHL-RDJZCZTQSA-N 3 2 313.449 2.429 10 0 DEAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(-n3cc[nH+]c3)nc2)[C@@H](C)C1 ZINC000246402969 145101747 /nfs/dbraw/zinc/10/17/47/145101747.db2.gz AOXWVKZEGZIEHL-RDJZCZTQSA-N 3 2 313.449 2.429 10 0 DEAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(-n3cc[nH+]c3)nc2)[C@@H](C)C1 ZINC000246402969 145101748 /nfs/dbraw/zinc/10/17/48/145101748.db2.gz AOXWVKZEGZIEHL-RDJZCZTQSA-N 3 2 313.449 2.429 10 0 DEAELP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(-n4ccnc4)nc3)CC[C@H]21 ZINC000247282718 145131254 /nfs/dbraw/zinc/13/12/54/145131254.db2.gz SXTDSKBMPIJIGY-IAGOWNOFSA-N 2 2 311.433 2.183 10 0 DEAELP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(-n4ccnc4)nc3)CC[C@H]21 ZINC000247282718 145131256 /nfs/dbraw/zinc/13/12/56/145131256.db2.gz SXTDSKBMPIJIGY-IAGOWNOFSA-N 2 2 311.433 2.183 10 0 DEAELP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(-n4ccnc4)nc3)CC[C@H]21 ZINC000247282718 145131257 /nfs/dbraw/zinc/13/12/57/145131257.db2.gz SXTDSKBMPIJIGY-IAGOWNOFSA-N 2 2 311.433 2.183 10 0 DEAELP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(-n4ccnc4)nc3)CC[C@H]21 ZINC000247282718 145131259 /nfs/dbraw/zinc/13/12/59/145131259.db2.gz SXTDSKBMPIJIGY-IAGOWNOFSA-N 2 2 311.433 2.183 10 0 DEAELP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(-n4cc[nH+]c4)nc3)CC[C@H]21 ZINC000247282718 145131261 /nfs/dbraw/zinc/13/12/61/145131261.db2.gz SXTDSKBMPIJIGY-IAGOWNOFSA-N 3 2 311.433 2.183 10 0 DEAELP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(-n4cc[nH+]c4)nc3)CC[C@H]21 ZINC000247282718 145131262 /nfs/dbraw/zinc/13/12/62/145131262.db2.gz SXTDSKBMPIJIGY-IAGOWNOFSA-N 3 2 311.433 2.183 10 0 DEAELP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(-n4cc[nH+]c4)nc3)CC[C@H]21 ZINC000247282718 145131264 /nfs/dbraw/zinc/13/12/64/145131264.db2.gz SXTDSKBMPIJIGY-IAGOWNOFSA-N 3 2 311.433 2.183 10 0 DEAELP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(-n4cc[nH+]c4)nc3)CC[C@H]21 ZINC000247282718 145131265 /nfs/dbraw/zinc/13/12/65/145131265.db2.gz SXTDSKBMPIJIGY-IAGOWNOFSA-N 3 2 311.433 2.183 10 0 DEAELP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)c3c(F)cccc3F)CC[C@@H]21 ZINC000248059915 145147919 /nfs/dbraw/zinc/14/79/19/145147919.db2.gz YBRDCWNSQIKDGS-UHOFOFEASA-N 2 2 310.388 2.414 10 0 DEAELP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)c3c(F)cccc3F)CC[C@@H]21 ZINC000248059915 145147921 /nfs/dbraw/zinc/14/79/21/145147921.db2.gz YBRDCWNSQIKDGS-UHOFOFEASA-N 2 2 310.388 2.414 10 0 DEAELP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H](O)c3c(F)cccc3F)CC[C@@H]21 ZINC000248059915 145147923 /nfs/dbraw/zinc/14/79/23/145147923.db2.gz YBRDCWNSQIKDGS-UHOFOFEASA-N 2 2 310.388 2.414 10 0 DEAELP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H](O)c3c(F)cccc3F)CC[C@@H]21 ZINC000248059915 145147925 /nfs/dbraw/zinc/14/79/25/145147925.db2.gz YBRDCWNSQIKDGS-UHOFOFEASA-N 2 2 310.388 2.414 10 0 DEAELP COc1ccc(C[C@@H](C)C[N@@H+]2CCO[C@@H](C[NH+](C)C)C2)cc1F ZINC000248873485 145171558 /nfs/dbraw/zinc/17/15/58/145171558.db2.gz LAWNXUJGOYIKTD-ZBFHGGJFSA-N 2 2 324.440 2.275 10 0 DEAELP COc1ccc(C[C@@H](C)C[N@H+]2CCO[C@@H](C[NH+](C)C)C2)cc1F ZINC000248873485 145171559 /nfs/dbraw/zinc/17/15/59/145171559.db2.gz LAWNXUJGOYIKTD-ZBFHGGJFSA-N 2 2 324.440 2.275 10 0 DEAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(-c3cnn(C)c3)no2)[C@@H](C)C1 ZINC000248975730 145174501 /nfs/dbraw/zinc/17/45/01/145174501.db2.gz HOYWZYIOBVSIEI-GUYCJALGSA-N 2 2 317.437 2.237 10 0 DEAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(-c3cnn(C)c3)no2)[C@@H](C)C1 ZINC000248975730 145174502 /nfs/dbraw/zinc/17/45/02/145174502.db2.gz HOYWZYIOBVSIEI-GUYCJALGSA-N 2 2 317.437 2.237 10 0 DEAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(-c3cnn(C)c3)no2)[C@@H](C)C1 ZINC000248975730 145174503 /nfs/dbraw/zinc/17/45/03/145174503.db2.gz HOYWZYIOBVSIEI-GUYCJALGSA-N 2 2 317.437 2.237 10 0 DEAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(-c3cnn(C)c3)no2)[C@@H](C)C1 ZINC000248975730 145174504 /nfs/dbraw/zinc/17/45/04/145174504.db2.gz HOYWZYIOBVSIEI-GUYCJALGSA-N 2 2 317.437 2.237 10 0 DEAELP CCN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249898726 145192141 /nfs/dbraw/zinc/19/21/41/145192141.db2.gz SIVTTZCUNSJKGQ-GJZGRUSLSA-N 2 2 304.438 2.072 10 0 DEAELP CCN(CC)C(=O)[C@H](C)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249898726 145192142 /nfs/dbraw/zinc/19/21/42/145192142.db2.gz SIVTTZCUNSJKGQ-GJZGRUSLSA-N 2 2 304.438 2.072 10 0 DEAELP C[C@H](C(=O)N(C)Cc1ccccc1)[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261612614 145210500 /nfs/dbraw/zinc/21/05/00/145210500.db2.gz CIGDZHVUPPFWRH-ZBFHGGJFSA-N 2 2 303.450 2.093 10 0 DEAELP C[C@H](C(=O)N(C)Cc1ccccc1)[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261612614 145210502 /nfs/dbraw/zinc/21/05/02/145210502.db2.gz CIGDZHVUPPFWRH-ZBFHGGJFSA-N 2 2 303.450 2.093 10 0 DEAELP CCOc1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261758029 145223122 /nfs/dbraw/zinc/22/31/22/145223122.db2.gz LORHHMXNHUVFDJ-XJKSGUPXSA-N 2 2 319.449 2.472 10 0 DEAELP CCOc1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261758029 145223123 /nfs/dbraw/zinc/22/31/23/145223123.db2.gz LORHHMXNHUVFDJ-XJKSGUPXSA-N 2 2 319.449 2.472 10 0 DEAELP COc1ccc(-c2noc(C[N@@H+]3CC[C@@H]([NH3+])C(C)(C)C3)n2)cc1 ZINC000261821148 145230743 /nfs/dbraw/zinc/23/07/43/145230743.db2.gz HJSZXRKQSZPWOT-CQSZACIVSA-N 2 2 316.405 2.304 10 0 DEAELP COc1ccc(-c2noc(C[N@H+]3CC[C@@H]([NH3+])C(C)(C)C3)n2)cc1 ZINC000261821148 145230745 /nfs/dbraw/zinc/23/07/45/145230745.db2.gz HJSZXRKQSZPWOT-CQSZACIVSA-N 2 2 316.405 2.304 10 0 DEAELP C[C@H]1CCC[N@H+](Cc2ccc3c(c2)sc(=O)n3C)[C@@H]1C[NH3+] ZINC000262047887 145256695 /nfs/dbraw/zinc/25/66/95/145256695.db2.gz ZGCHUBPPHRMIRT-SMDDNHRTSA-N 2 2 305.447 2.159 10 0 DEAELP C[C@H]1CCC[N@@H+](Cc2ccc3c(c2)sc(=O)n3C)[C@@H]1C[NH3+] ZINC000262047887 145256697 /nfs/dbraw/zinc/25/66/97/145256697.db2.gz ZGCHUBPPHRMIRT-SMDDNHRTSA-N 2 2 305.447 2.159 10 0 DEAELP CC(C)Cn1cc[nH+]c1CNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000262667338 145299375 /nfs/dbraw/zinc/29/93/75/145299375.db2.gz KZZMAOWMGIONFB-KFWWJZLASA-N 2 2 304.438 2.076 10 0 DEAELP CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc3[nH+]ccn3c2)[C@H](C)C1 ZINC000076484303 401796626 /nfs/dbraw/zinc/79/66/26/401796626.db2.gz KBEFIWLZCJDERJ-UKRRQHHQSA-N 2 2 300.406 2.137 10 0 DEAELP CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc3[nH+]ccn3c2)[C@H](C)C1 ZINC000076484303 401796628 /nfs/dbraw/zinc/79/66/28/401796628.db2.gz KBEFIWLZCJDERJ-UKRRQHHQSA-N 2 2 300.406 2.137 10 0 DEAELP CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000120046782 401976058 /nfs/dbraw/zinc/97/60/58/401976058.db2.gz RVLKAUQGQLBITO-INIZCTEOSA-N 2 2 303.450 2.061 10 0 DEAELP CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000120046782 401976060 /nfs/dbraw/zinc/97/60/60/401976060.db2.gz RVLKAUQGQLBITO-INIZCTEOSA-N 2 2 303.450 2.061 10 0 DEAELP COc1cc(OCc2ccccc2)c([C@H]([NH3+])C[NH3+])cc1OC ZINC000044470015 401943614 /nfs/dbraw/zinc/94/36/14/401943614.db2.gz QEWZKBMGXBZJFJ-CQSZACIVSA-N 2 2 302.374 2.241 10 0 DEAELP C[C@H](c1nc(-c2cccnc2)no1)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152420720 402095538 /nfs/dbraw/zinc/09/55/38/402095538.db2.gz QPRGECHOGJIENJ-ZIAGYGMSSA-N 2 2 315.421 2.466 10 0 DEAELP C[C@H](c1nc(-c2cccnc2)no1)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152420720 402095540 /nfs/dbraw/zinc/09/55/40/402095540.db2.gz QPRGECHOGJIENJ-ZIAGYGMSSA-N 2 2 315.421 2.466 10 0 DEAELP C[C@H](c1nc(-c2cccnc2)no1)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152420720 402095542 /nfs/dbraw/zinc/09/55/42/402095542.db2.gz QPRGECHOGJIENJ-ZIAGYGMSSA-N 2 2 315.421 2.466 10 0 DEAELP C[C@H](c1nc(-c2cccnc2)no1)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152420720 402095544 /nfs/dbraw/zinc/09/55/44/402095544.db2.gz QPRGECHOGJIENJ-ZIAGYGMSSA-N 2 2 315.421 2.466 10 0 DEAELP OC[C@@H](Cc1ccccc1)[NH2+][C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000152705882 402104117 /nfs/dbraw/zinc/10/41/17/402104117.db2.gz RDPSHDJNXXXYSD-LEWJYISDSA-N 2 2 324.468 2.497 10 0 DEAELP OC[C@@H](Cc1ccccc1)[NH2+][C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000152705882 402104119 /nfs/dbraw/zinc/10/41/19/402104119.db2.gz RDPSHDJNXXXYSD-LEWJYISDSA-N 2 2 324.468 2.497 10 0 DEAELP COc1ccc(NC(=O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000123683413 402141580 /nfs/dbraw/zinc/14/15/80/402141580.db2.gz OLERKUBGKOKTCZ-UKRRQHHQSA-N 2 2 305.422 2.048 10 0 DEAELP COc1ccc(NC(=O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000123683413 402141582 /nfs/dbraw/zinc/14/15/82/402141582.db2.gz OLERKUBGKOKTCZ-UKRRQHHQSA-N 2 2 305.422 2.048 10 0 DEAELP COc1ccc(NC(=O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000123683413 402141584 /nfs/dbraw/zinc/14/15/84/402141584.db2.gz OLERKUBGKOKTCZ-UKRRQHHQSA-N 2 2 305.422 2.048 10 0 DEAELP COc1ccc(NC(=O)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000123683413 402141586 /nfs/dbraw/zinc/14/15/86/402141586.db2.gz OLERKUBGKOKTCZ-UKRRQHHQSA-N 2 2 305.422 2.048 10 0 DEAELP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1NC(C)=O ZINC000154609045 402221053 /nfs/dbraw/zinc/22/10/53/402221053.db2.gz AFBONLIWTZTVDP-WFASDCNBSA-N 2 2 305.422 2.398 10 0 DEAELP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)cc1NC(C)=O ZINC000154609045 402221058 /nfs/dbraw/zinc/22/10/58/402221058.db2.gz AFBONLIWTZTVDP-WFASDCNBSA-N 2 2 305.422 2.398 10 0 DEAELP CCC[C@H](C)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000154360266 402208404 /nfs/dbraw/zinc/20/84/04/402208404.db2.gz OEGPCNRVZUKJOH-PMRDEQMMSA-N 2 2 307.482 2.192 10 0 DEAELP CCC[C@H](C)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000154360266 402208407 /nfs/dbraw/zinc/20/84/07/402208407.db2.gz OEGPCNRVZUKJOH-PMRDEQMMSA-N 2 2 307.482 2.192 10 0 DEAELP Cc1[nH+]c2ccccc2n1CC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000071839741 402286901 /nfs/dbraw/zinc/28/69/01/402286901.db2.gz RPNXXEKETIGFGM-HNNXBMFYSA-N 2 2 312.417 2.041 10 0 DEAELP Cc1[nH+]c2ccccc2n1CC(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000071839741 402286904 /nfs/dbraw/zinc/28/69/04/402286904.db2.gz RPNXXEKETIGFGM-HNNXBMFYSA-N 2 2 312.417 2.041 10 0 DEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000176321429 402299526 /nfs/dbraw/zinc/29/95/26/402299526.db2.gz RGFNIDRYSWWBBT-GJZGRUSLSA-N 2 2 321.469 2.211 10 0 DEAELP CCO[C@H]1C[C@@H]([NH2+]Cc2cccc3[nH+]ccn32)C12CCOCC2 ZINC000185670515 402368315 /nfs/dbraw/zinc/36/83/15/402368315.db2.gz CSLFGWRXXMDSSV-CVEARBPZSA-N 2 2 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2 313.449 2.375 10 0 DEAELP Cn1cc[nH+]c1CC1CC[NH+](Cc2noc(C3CC3)n2)CC1 ZINC000105876724 424849732 /nfs/dbraw/zinc/84/97/32/424849732.db2.gz VXDZWIGCSQHHPK-UHFFFAOYSA-N 2 2 301.394 2.135 10 0 DEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NCc2cccs2)[C@H](C)C1 ZINC000081095396 267378759 /nfs/dbraw/zinc/37/87/59/267378759.db2.gz MHDBTSVVIMYPMO-HIFRSBDPSA-N 2 2 309.479 2.026 10 0 DEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NCc2cccs2)[C@H](C)C1 ZINC000081095396 267378761 /nfs/dbraw/zinc/37/87/61/267378761.db2.gz MHDBTSVVIMYPMO-HIFRSBDPSA-N 2 2 309.479 2.026 10 0 DEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NCc2cccs2)[C@H](C)C1 ZINC000081095396 267378765 /nfs/dbraw/zinc/37/87/65/267378765.db2.gz MHDBTSVVIMYPMO-HIFRSBDPSA-N 2 2 309.479 2.026 10 0 DEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NCc2cccs2)[C@H](C)C1 ZINC000081095396 267378768 /nfs/dbraw/zinc/37/87/68/267378768.db2.gz MHDBTSVVIMYPMO-HIFRSBDPSA-N 2 2 309.479 2.026 10 0 DEAELP CC[NH+](CC)[C@@H](C(=O)N1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000104870607 279140513 /nfs/dbraw/zinc/14/05/13/279140513.db2.gz VUWATOGMTBYQTJ-GOSISDBHSA-N 2 2 315.461 2.376 10 0 DEAELP c1ccc(COCCCC[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1 ZINC000422841481 534489221 /nfs/dbraw/zinc/48/92/21/534489221.db2.gz VYJUMELBNBLQRT-MOPGFXCFSA-N 2 2 318.461 2.340 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCC(C)(C)C[NH+](C)C)C2 ZINC000372394454 535382814 /nfs/dbraw/zinc/38/28/14/535382814.db2.gz NTLNFSVMDLFYKZ-CYBMUJFWSA-N 2 2 320.481 2.342 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCC(C)(C)C[NH+](C)C)CC2 ZINC000372394454 535382815 /nfs/dbraw/zinc/38/28/15/535382815.db2.gz NTLNFSVMDLFYKZ-CYBMUJFWSA-N 2 2 320.481 2.342 10 0 DEAELP c1ccc(C[N@H+]2C[C@H]3C[C@@H](C2)C3[NH2+][C@@H]2CCN(C3CC3)C2)cc1 ZINC000399708911 635782705 /nfs/dbraw/zinc/78/27/05/635782705.db2.gz XECORZRVVDNSAQ-RYRLBTNJSA-N 2 2 311.473 2.333 10 0 DEAELP c1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)C3[NH2+][C@@H]2CCN(C3CC3)C2)cc1 ZINC000399708911 635782707 /nfs/dbraw/zinc/78/27/07/635782707.db2.gz XECORZRVVDNSAQ-RYRLBTNJSA-N 2 2 311.473 2.333 10 0 DEAELP Cn1c2ccccc2[nH+]c1NCc1cc(O[C@@H]2CC[NH2+]C2)ccn1 ZINC000818629017 647492818 /nfs/dbraw/zinc/49/28/18/647492818.db2.gz SNRHVUOTPZXUSB-OAHLLOKOSA-N 2 2 323.400 2.321 10 0 DEAELP Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000713341230 792219713 /nfs/dbraw/zinc/21/97/13/792219713.db2.gz CGJZOGMJQAFHHW-XJKSGUPXSA-N 2 2 312.417 2.102 10 0 DEAELP Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000713341230 792219716 /nfs/dbraw/zinc/21/97/16/792219716.db2.gz CGJZOGMJQAFHHW-XJKSGUPXSA-N 2 2 312.417 2.102 10 0 DEAELP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+]2C)CN(C(=O)OC(C)(C)C)C1 ZINC000401702653 801844040 /nfs/dbraw/zinc/84/40/40/801844040.db2.gz AWGQNZIVWPYTQR-QLFBSQMISA-N 2 2 311.470 2.316 10 0 DEAELP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+]2C)CN(C(=O)OC(C)(C)C)C1 ZINC000401702653 801844051 /nfs/dbraw/zinc/84/40/51/801844051.db2.gz AWGQNZIVWPYTQR-QLFBSQMISA-N 2 2 311.470 2.316 10 0 DEAELP Cc1nnc(SCc2cn3cc(Cl)ccc3[nH+]2)n1CC[NH3+] ZINC000087711492 185230955 /nfs/dbraw/zinc/23/09/55/185230955.db2.gz YZWTUZSRVZYDID-UHFFFAOYSA-N 2 2 322.825 2.139 10 0 DEAELP [NH3+]C[C@@H]([NH2+]C[C@H]1CCCO1)c1ccc(OC(F)(F)F)cc1 ZINC000087928678 185237733 /nfs/dbraw/zinc/23/77/33/185237733.db2.gz PKFASDAXLFNYDK-CHWSQXEVSA-N 2 2 304.312 2.354 10 0 DEAELP C[C@@H](c1ccc(Br)cc1)[NH+]1CCN(C2C[NH2+]C2)CC1 ZINC000090306483 185290311 /nfs/dbraw/zinc/29/03/11/185290311.db2.gz KOEJJRJYSXMOHS-LBPRGKRZSA-N 2 2 324.266 2.100 10 0 DEAELP C[C@@]1(c2c[nH+]cn2-c2ccc(Br)cn2)CC[NH2+]C1 ZINC000097014097 185397207 /nfs/dbraw/zinc/39/72/07/185397207.db2.gz HJUIZFDGKWZEBI-CYBMUJFWSA-N 2 2 307.195 2.281 10 0 DEAELP Cn1cc([C@H]2[C@H](C[N@H+](C)Cc3cncs3)CCC[NH+]2C)cn1 ZINC000328656375 530017192 /nfs/dbraw/zinc/01/71/92/530017192.db2.gz ZGVPRSRZOSKHCD-XJKSGUPXSA-N 2 2 319.478 2.392 10 0 DEAELP Cn1cc([C@H]2[C@H](C[N@@H+](C)Cc3cncs3)CCC[NH+]2C)cn1 ZINC000328656375 530017194 /nfs/dbraw/zinc/01/71/94/530017194.db2.gz ZGVPRSRZOSKHCD-XJKSGUPXSA-N 2 2 319.478 2.392 10 0 DEAELP Cn1cc([C@H]2[C@H](C[NH+](C)Cc3cncs3)CCC[N@@H+]2C)cn1 ZINC000328656375 530017195 /nfs/dbraw/zinc/01/71/95/530017195.db2.gz ZGVPRSRZOSKHCD-XJKSGUPXSA-N 2 2 319.478 2.392 10 0 DEAELP Cn1cc([C@H]2[C@H](C[NH+](C)Cc3cncs3)CCC[N@H+]2C)cn1 ZINC000328656375 530017196 /nfs/dbraw/zinc/01/71/96/530017196.db2.gz ZGVPRSRZOSKHCD-XJKSGUPXSA-N 2 2 319.478 2.392 10 0 DEAELP O=C(CCc1c[nH+]c[nH]1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000188895421 539684726 /nfs/dbraw/zinc/68/47/26/539684726.db2.gz WWNKDOJGDXVKEP-UHFFFAOYSA-N 2 2 312.417 2.255 10 0 DEAELP O=C(CCc1c[nH]c[nH+]1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000188895421 539684728 /nfs/dbraw/zinc/68/47/28/539684728.db2.gz WWNKDOJGDXVKEP-UHFFFAOYSA-N 2 2 312.417 2.255 10 0 DEAELP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000333838477 282979289 /nfs/dbraw/zinc/97/92/89/282979289.db2.gz NUALBAZMDVRBML-LSDHHAIUSA-N 2 2 319.453 2.282 10 0 DEAELP COCc1noc([C@H](C)[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)n1 ZINC000181900864 186216711 /nfs/dbraw/zinc/21/67/11/186216711.db2.gz HEAOMILNFJBLSO-QWHCGFSZSA-N 2 2 317.393 2.106 10 0 DEAELP COCc1noc([C@H](C)[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)n1 ZINC000181900864 186216713 /nfs/dbraw/zinc/21/67/13/186216713.db2.gz HEAOMILNFJBLSO-QWHCGFSZSA-N 2 2 317.393 2.106 10 0 DEAELP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2CCOC)C12CCCC2 ZINC000181675281 356089138 /nfs/dbraw/zinc/08/91/38/356089138.db2.gz UZOYKQDEXIICLT-YESZJQIVSA-N 2 2 310.482 2.425 10 0 DEAELP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+]2CCOC)C12CCCC2 ZINC000181675281 356089140 /nfs/dbraw/zinc/08/91/40/356089140.db2.gz UZOYKQDEXIICLT-YESZJQIVSA-N 2 2 310.482 2.425 10 0 DEAELP NC(=S)[C@H](C[N@@H+]1CCC[NH+]2CCC[C@@H]2C1)c1ccccc1 ZINC000080797742 192191488 /nfs/dbraw/zinc/19/14/88/192191488.db2.gz WLPZCBGAAJWUSQ-HZPDHXFCSA-N 2 2 303.475 2.226 10 0 DEAELP NC(=S)[C@H](C[N@H+]1CCC[NH+]2CCC[C@@H]2C1)c1ccccc1 ZINC000080797742 192191491 /nfs/dbraw/zinc/19/14/91/192191491.db2.gz WLPZCBGAAJWUSQ-HZPDHXFCSA-N 2 2 303.475 2.226 10 0 DEAELP NC(=S)[C@H](C[NH+]1CCC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000080797742 192191492 /nfs/dbraw/zinc/19/14/92/192191492.db2.gz WLPZCBGAAJWUSQ-HZPDHXFCSA-N 2 2 303.475 2.226 10 0 DEAELP NC(=S)[C@H](C[NH+]1CCC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000080797742 192191495 /nfs/dbraw/zinc/19/14/95/192191495.db2.gz WLPZCBGAAJWUSQ-HZPDHXFCSA-N 2 2 303.475 2.226 10 0 DEAELP Cc1ccc(O)c(C[N@@H+](Cc2cccnc2)C[C@H]2CC[NH2+]C2)n1 ZINC000328651047 356467000 /nfs/dbraw/zinc/46/70/00/356467000.db2.gz VUMWJHSGTPMWJG-INIZCTEOSA-N 2 2 312.417 2.102 10 0 DEAELP Cc1ccc(O)c(C[N@H+](Cc2cccnc2)C[C@H]2CC[NH2+]C2)n1 ZINC000328651047 356467001 /nfs/dbraw/zinc/46/70/01/356467001.db2.gz VUMWJHSGTPMWJG-INIZCTEOSA-N 2 2 312.417 2.102 10 0 DEAELP Cc1cccnc1C[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000180478196 199164619 /nfs/dbraw/zinc/16/46/19/199164619.db2.gz WWUZVSJFDJJVIH-UHFFFAOYSA-N 2 2 313.449 2.183 10 0 DEAELP Cc1cccnc1C[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000180478196 199164621 /nfs/dbraw/zinc/16/46/21/199164621.db2.gz WWUZVSJFDJJVIH-UHFFFAOYSA-N 2 2 313.449 2.183 10 0 DEAELP CCOC(=O)CCC[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195272130 201371022 /nfs/dbraw/zinc/37/10/22/201371022.db2.gz BXVSGQYASWVXIR-KRWDZBQOSA-N 2 2 319.449 2.179 10 0 DEAELP CCOC(=O)CCC[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195272130 201371025 /nfs/dbraw/zinc/37/10/25/201371025.db2.gz BXVSGQYASWVXIR-KRWDZBQOSA-N 2 2 319.449 2.179 10 0 DEAELP CCOC(=O)CCC[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195272130 201371028 /nfs/dbraw/zinc/37/10/28/201371028.db2.gz BXVSGQYASWVXIR-KRWDZBQOSA-N 2 2 319.449 2.179 10 0 DEAELP CCOC(=O)CCC[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195272130 201371031 /nfs/dbraw/zinc/37/10/31/201371031.db2.gz BXVSGQYASWVXIR-KRWDZBQOSA-N 2 2 319.449 2.179 10 0 DEAELP O=C(C[C@H]1CSCC[NH2+]1)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000091135101 193000971 /nfs/dbraw/zinc/00/09/71/193000971.db2.gz NOMMCOIBOHWDKZ-ZDUSSCGKSA-N 2 2 302.403 2.110 10 0 DEAELP CCN(CC)C(=O)C[C@H](C[NH3+])[N@@H+]1CCc2sccc2[C@@H]1C ZINC000091322849 193040788 /nfs/dbraw/zinc/04/07/88/193040788.db2.gz QIQCDHLGJKLSDW-QWHCGFSZSA-N 2 2 309.479 2.253 10 0 DEAELP CCN(CC)C(=O)C[C@H](C[NH3+])[N@H+]1CCc2sccc2[C@@H]1C ZINC000091322849 193040791 /nfs/dbraw/zinc/04/07/91/193040791.db2.gz QIQCDHLGJKLSDW-QWHCGFSZSA-N 2 2 309.479 2.253 10 0 DEAELP CCS(=O)(=O)CCC[C@@H]([NH2+]C)C(C)(C)[NH+]1CCCCCC1 ZINC000091568120 193074435 /nfs/dbraw/zinc/07/44/35/193074435.db2.gz SXRGLKOFLXAGDZ-OAHLLOKOSA-N 2 2 318.527 2.444 10 0 DEAELP C[NH2+][C@H](CCCS(C)(=O)=O)C1([NH+](C)C)CCCCCC1 ZINC000091654555 193085190 /nfs/dbraw/zinc/08/51/90/193085190.db2.gz PFVRUJKLEGDARW-CQSZACIVSA-N 2 2 304.500 2.054 10 0 DEAELP CCC[NH2+][C@H](Cc1csc(C)n1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091722229 193097404 /nfs/dbraw/zinc/09/74/04/193097404.db2.gz KXGTXGNFQIWATI-OAGGEKHMSA-N 2 2 309.479 2.225 10 0 DEAELP CCC[NH2+][C@H](Cc1csc(C)n1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091722229 193097406 /nfs/dbraw/zinc/09/74/06/193097406.db2.gz KXGTXGNFQIWATI-OAGGEKHMSA-N 2 2 309.479 2.225 10 0 DEAELP CC[C@@H]([NH3+])Cc1ccc(OC[C@H]2C[N@H+](C)CCO2)c(Cl)c1 ZINC000092060726 193149459 /nfs/dbraw/zinc/14/94/59/193149459.db2.gz KWILNCAYEHEDSL-ZIAGYGMSSA-N 2 2 312.841 2.329 10 0 DEAELP CC[C@@H]([NH3+])Cc1ccc(OC[C@H]2C[N@@H+](C)CCO2)c(Cl)c1 ZINC000092060726 193149461 /nfs/dbraw/zinc/14/94/61/193149461.db2.gz KWILNCAYEHEDSL-ZIAGYGMSSA-N 2 2 312.841 2.329 10 0 DEAELP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CC2(C1)CC(F)(F)C2 ZINC000677734310 541623432 /nfs/dbraw/zinc/62/34/32/541623432.db2.gz UJEKOVHXOGFSES-HNNXBMFYSA-N 2 2 310.388 2.210 10 0 DEAELP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CC2(C1)CC(F)(F)C2 ZINC000677734310 541623436 /nfs/dbraw/zinc/62/34/36/541623436.db2.gz UJEKOVHXOGFSES-HNNXBMFYSA-N 2 2 310.388 2.210 10 0 DEAELP C[C@H]1C[C@H]([NH+](C)Cc2cn(C)nc2-c2cccnc2)CC[N@@H+]1C ZINC000093644138 193280468 /nfs/dbraw/zinc/28/04/68/193280468.db2.gz VSMMUDPISLVJDK-WMLDXEAASA-N 2 2 313.449 2.397 10 0 DEAELP C[C@H]1C[C@H]([NH+](C)Cc2cn(C)nc2-c2cccnc2)CC[N@H+]1C ZINC000093644138 193280470 /nfs/dbraw/zinc/28/04/70/193280470.db2.gz VSMMUDPISLVJDK-WMLDXEAASA-N 2 2 313.449 2.397 10 0 DEAELP C[C@H]1C[C@H]([N@H+](C)Cc2cn(C)nc2-c2cccnc2)CC[NH+]1C ZINC000093644138 193280472 /nfs/dbraw/zinc/28/04/72/193280472.db2.gz VSMMUDPISLVJDK-WMLDXEAASA-N 2 2 313.449 2.397 10 0 DEAELP C[C@H]1C[C@H]([N@@H+](C)Cc2cn(C)nc2-c2cccnc2)CC[NH+]1C ZINC000093644138 193280474 /nfs/dbraw/zinc/28/04/74/193280474.db2.gz VSMMUDPISLVJDK-WMLDXEAASA-N 2 2 313.449 2.397 10 0 DEAELP CCC[NH2+][C@@H](Cc1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCN1C ZINC000093895945 193324629 /nfs/dbraw/zinc/32/46/29/193324629.db2.gz OCHSIGYCSFPDIM-DLBZAZTESA-N 2 2 309.885 2.497 10 0 DEAELP CCC[NH2+][C@@H](Cc1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCN1C ZINC000093895945 193324630 /nfs/dbraw/zinc/32/46/30/193324630.db2.gz OCHSIGYCSFPDIM-DLBZAZTESA-N 2 2 309.885 2.497 10 0 DEAELP CCC[NH2+][C@@H](Cc1ccccc1Cl)[C@@H]1C[N@H+](C)CCN1C ZINC000093895863 193325077 /nfs/dbraw/zinc/32/50/77/193325077.db2.gz WCZXVTQCXRCCQW-IRXDYDNUSA-N 2 2 309.885 2.497 10 0 DEAELP CCC[NH2+][C@@H](Cc1ccccc1Cl)[C@@H]1C[N@@H+](C)CCN1C ZINC000093895863 193325078 /nfs/dbraw/zinc/32/50/78/193325078.db2.gz WCZXVTQCXRCCQW-IRXDYDNUSA-N 2 2 309.885 2.497 10 0 DEAELP C[NH2+][C@H](c1cccc(C(F)(F)F)c1)[C@@H]1C[N@H+](C)CCN1C ZINC000093894381 193325726 /nfs/dbraw/zinc/32/57/26/193325726.db2.gz TUTNGVHBTVLJPB-UONOGXRCSA-N 2 2 301.356 2.212 10 0 DEAELP C[NH2+][C@H](c1cccc(C(F)(F)F)c1)[C@@H]1C[N@@H+](C)CCN1C ZINC000093894381 193325728 /nfs/dbraw/zinc/32/57/28/193325728.db2.gz TUTNGVHBTVLJPB-UONOGXRCSA-N 2 2 301.356 2.212 10 0 DEAELP C[NH2+][C@H](Cc1ccc(Cl)c(Cl)c1)[C@H]1C[NH+]2CCN1CC2 ZINC000094509392 193376174 /nfs/dbraw/zinc/37/61/74/193376174.db2.gz CXPYPOPWBXYJAV-HUUCEWRRSA-N 2 2 314.260 2.124 10 0 DEAELP C[NH2+][C@H](Cc1csc2ccccc12)[C@H]1C[NH+]2CCN1CC2 ZINC000094509188 193376216 /nfs/dbraw/zinc/37/62/16/193376216.db2.gz GIDIRLLVWAELTL-HZPDHXFCSA-N 2 2 301.459 2.032 10 0 DEAELP Cn1cc[nH+]c1CC[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000040638998 183113349 /nfs/dbraw/zinc/11/33/49/183113349.db2.gz OGBIPWQOGGCURA-UHFFFAOYSA-N 2 2 307.781 2.177 10 0 DEAELP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000040750086 183128617 /nfs/dbraw/zinc/12/86/17/183128617.db2.gz CWDXHUBZGFEDSJ-CLYYMRHHSA-N 2 2 311.788 2.372 10 0 DEAELP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000040750086 183128618 /nfs/dbraw/zinc/12/86/18/183128618.db2.gz CWDXHUBZGFEDSJ-CLYYMRHHSA-N 2 2 311.788 2.372 10 0 DEAELP COC(=O)Cc1cc(NCc2[nH+]ccn2C)c2ccccc2[nH+]1 ZINC000041473485 183193086 /nfs/dbraw/zinc/19/30/86/183193086.db2.gz NPAQUAPIKXXICK-UHFFFAOYSA-N 2 2 310.357 2.296 10 0 DEAELP COc1cc(C[N@H+](C)[C@H]2CCC[NH2+]C2)ccc1OC(F)F ZINC000110928750 194371369 /nfs/dbraw/zinc/37/13/69/194371369.db2.gz VUEBFVONCPWTIU-LBPRGKRZSA-N 2 2 300.349 2.480 10 0 DEAELP COc1cc(C[N@@H+](C)[C@H]2CCC[NH2+]C2)ccc1OC(F)F ZINC000110928750 194371371 /nfs/dbraw/zinc/37/13/71/194371371.db2.gz VUEBFVONCPWTIU-LBPRGKRZSA-N 2 2 300.349 2.480 10 0 DEAELP c1cc(C[N@H+]2CCO[C@H]3[C@H]2CC[C@@H]3OCC[NH+]2CCCC2)co1 ZINC000247983306 257113613 /nfs/dbraw/zinc/11/36/13/257113613.db2.gz XWRCJFTVSNUEPF-SQNIBIBYSA-N 2 2 320.433 2.124 10 0 DEAELP c1cc(C[N@@H+]2CCO[C@H]3[C@H]2CC[C@@H]3OCC[NH+]2CCCC2)co1 ZINC000247983306 257113614 /nfs/dbraw/zinc/11/36/14/257113614.db2.gz XWRCJFTVSNUEPF-SQNIBIBYSA-N 2 2 320.433 2.124 10 0 DEAELP COc1nccnc1C[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000294688922 533277434 /nfs/dbraw/zinc/27/74/34/533277434.db2.gz DOSBWGILTSLAOJ-CQSZACIVSA-N 2 2 313.405 2.123 10 0 DEAELP COc1nccnc1C[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000294688922 533277450 /nfs/dbraw/zinc/27/74/50/533277450.db2.gz DOSBWGILTSLAOJ-CQSZACIVSA-N 2 2 313.405 2.123 10 0 DEAELP CC[C@H](C)CC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000189773295 145034148 /nfs/dbraw/zinc/03/41/48/145034148.db2.gz CIOKLCXTQPHXNH-PMRDEQMMSA-N 2 2 307.482 2.192 10 0 DEAELP CC[C@H](C)CC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000189773295 145034149 /nfs/dbraw/zinc/03/41/49/145034149.db2.gz CIOKLCXTQPHXNH-PMRDEQMMSA-N 2 2 307.482 2.192 10 0 DEAELP CC(C)[NH2+]CC[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000191536047 145060072 /nfs/dbraw/zinc/06/00/72/145060072.db2.gz WQNXNTPDUGZTSL-IRXDYDNUSA-N 3 2 311.514 2.196 10 0 DEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@H](C)c1nc(C)cc(=O)[nH]1 ZINC000192613475 145076789 /nfs/dbraw/zinc/07/67/89/145076789.db2.gz QHYMBOCNBBKZJC-TZMCWYRMSA-N 2 2 301.394 2.221 10 0 DEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@H](C)c1nc(C)cc(=O)[nH]1 ZINC000192613475 145076790 /nfs/dbraw/zinc/07/67/90/145076790.db2.gz QHYMBOCNBBKZJC-TZMCWYRMSA-N 2 2 301.394 2.221 10 0 DEAELP Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193609535 145087712 /nfs/dbraw/zinc/08/77/12/145087712.db2.gz LUVOKOVEDIYLIU-MCIONIFRSA-N 2 2 321.852 2.469 10 0 DEAELP Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193609535 145087714 /nfs/dbraw/zinc/08/77/14/145087714.db2.gz LUVOKOVEDIYLIU-MCIONIFRSA-N 2 2 321.852 2.469 10 0 DEAELP Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193609535 145087715 /nfs/dbraw/zinc/08/77/15/145087715.db2.gz LUVOKOVEDIYLIU-MCIONIFRSA-N 2 2 321.852 2.469 10 0 DEAELP Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193609535 145087717 /nfs/dbraw/zinc/08/77/17/145087717.db2.gz LUVOKOVEDIYLIU-MCIONIFRSA-N 2 2 321.852 2.469 10 0 DEAELP Cc1ccccc1CN(C)C(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246966110 145121275 /nfs/dbraw/zinc/12/12/75/145121275.db2.gz RRXRGIQHRSUUES-WMZOPIPTSA-N 2 2 317.477 2.368 10 0 DEAELP Cc1ccccc1CN(C)C(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246966110 145121276 /nfs/dbraw/zinc/12/12/76/145121276.db2.gz RRXRGIQHRSUUES-WMZOPIPTSA-N 2 2 317.477 2.368 10 0 DEAELP Cc1ccccc1CN(C)C(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246966110 145121277 /nfs/dbraw/zinc/12/12/77/145121277.db2.gz RRXRGIQHRSUUES-WMZOPIPTSA-N 2 2 317.477 2.368 10 0 DEAELP Cc1ccccc1CN(C)C(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246966110 145121278 /nfs/dbraw/zinc/12/12/78/145121278.db2.gz RRXRGIQHRSUUES-WMZOPIPTSA-N 2 2 317.477 2.368 10 0 DEAELP O[C@]12CCCC[C@H]1C[N@H+](Cc1ccc(-n3cc[nH+]c3)nc1)CC2 ZINC000247039599 145124588 /nfs/dbraw/zinc/12/45/88/145124588.db2.gz RCMJQSZYPGNLDI-WMZOPIPTSA-N 2 2 312.417 2.394 10 0 DEAELP O[C@]12CCCC[C@H]1C[N@@H+](Cc1ccc(-n3cc[nH+]c3)nc1)CC2 ZINC000247039599 145124589 /nfs/dbraw/zinc/12/45/89/145124589.db2.gz RCMJQSZYPGNLDI-WMZOPIPTSA-N 2 2 312.417 2.394 10 0 DEAELP C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000247075330 145125755 /nfs/dbraw/zinc/12/57/55/145125755.db2.gz WTHDMKDBVVRVSN-TWMKSMIVSA-N 2 2 309.498 2.438 10 0 DEAELP C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000247075330 145125756 /nfs/dbraw/zinc/12/57/56/145125756.db2.gz WTHDMKDBVVRVSN-TWMKSMIVSA-N 2 2 309.498 2.438 10 0 DEAELP C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247075330 145125758 /nfs/dbraw/zinc/12/57/58/145125758.db2.gz WTHDMKDBVVRVSN-TWMKSMIVSA-N 2 2 309.498 2.438 10 0 DEAELP C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000247075330 145125759 /nfs/dbraw/zinc/12/57/59/145125759.db2.gz WTHDMKDBVVRVSN-TWMKSMIVSA-N 2 2 309.498 2.438 10 0 DEAELP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(-n4ccnc4)nc3)CC[C@H]21 ZINC000247282705 145131392 /nfs/dbraw/zinc/13/13/92/145131392.db2.gz SXTDSKBMPIJIGY-DLBZAZTESA-N 2 2 311.433 2.183 10 0 DEAELP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(-n4ccnc4)nc3)CC[C@H]21 ZINC000247282705 145131393 /nfs/dbraw/zinc/13/13/93/145131393.db2.gz SXTDSKBMPIJIGY-DLBZAZTESA-N 2 2 311.433 2.183 10 0 DEAELP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(-n4ccnc4)nc3)CC[C@H]21 ZINC000247282705 145131395 /nfs/dbraw/zinc/13/13/95/145131395.db2.gz SXTDSKBMPIJIGY-DLBZAZTESA-N 2 2 311.433 2.183 10 0 DEAELP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(-n4ccnc4)nc3)CC[C@H]21 ZINC000247282705 145131396 /nfs/dbraw/zinc/13/13/96/145131396.db2.gz SXTDSKBMPIJIGY-DLBZAZTESA-N 2 2 311.433 2.183 10 0 DEAELP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(-n4cc[nH+]c4)nc3)CC[C@H]21 ZINC000247282705 145131398 /nfs/dbraw/zinc/13/13/98/145131398.db2.gz SXTDSKBMPIJIGY-DLBZAZTESA-N 3 2 311.433 2.183 10 0 DEAELP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(-n4cc[nH+]c4)nc3)CC[C@H]21 ZINC000247282705 145131400 /nfs/dbraw/zinc/13/14/00/145131400.db2.gz SXTDSKBMPIJIGY-DLBZAZTESA-N 3 2 311.433 2.183 10 0 DEAELP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(-n4cc[nH+]c4)nc3)CC[C@H]21 ZINC000247282705 145131402 /nfs/dbraw/zinc/13/14/02/145131402.db2.gz SXTDSKBMPIJIGY-DLBZAZTESA-N 3 2 311.433 2.183 10 0 DEAELP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(-n4cc[nH+]c4)nc3)CC[C@H]21 ZINC000247282705 145131404 /nfs/dbraw/zinc/13/14/04/145131404.db2.gz SXTDSKBMPIJIGY-DLBZAZTESA-N 3 2 311.433 2.183 10 0 DEAELP CC[C@H](C)[C@@H](C)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000248521453 145157536 /nfs/dbraw/zinc/15/75/36/145157536.db2.gz BNDGFKPCNKQIMU-IIQAOJFUSA-N 2 2 321.509 2.438 10 0 DEAELP CC[C@H](C)[C@@H](C)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000248521453 145157538 /nfs/dbraw/zinc/15/75/38/145157538.db2.gz BNDGFKPCNKQIMU-IIQAOJFUSA-N 2 2 321.509 2.438 10 0 DEAELP c1ccc(NC[C@H]2CC[N@@H+](CCO[C@H]3CCCCO3)C2)[nH+]c1 ZINC000248538975 145157755 /nfs/dbraw/zinc/15/77/55/145157755.db2.gz ASCRIVCOWMTXMB-WBVHZDCISA-N 2 2 305.422 2.359 10 0 DEAELP c1ccc(NC[C@H]2CC[N@H+](CCO[C@H]3CCCCO3)C2)[nH+]c1 ZINC000248538975 145157757 /nfs/dbraw/zinc/15/77/57/145157757.db2.gz ASCRIVCOWMTXMB-WBVHZDCISA-N 2 2 305.422 2.359 10 0 DEAELP CCc1ccc([C@@H](C)NC(=O)C[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000261798734 145227155 /nfs/dbraw/zinc/22/71/55/145227155.db2.gz NZJMJULIAPWOEP-PBHICJAKSA-N 2 2 317.477 2.485 10 0 DEAELP CCc1ccc([C@@H](C)NC(=O)C[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000261798734 145227157 /nfs/dbraw/zinc/22/71/57/145227157.db2.gz NZJMJULIAPWOEP-PBHICJAKSA-N 2 2 317.477 2.485 10 0 DEAELP [NH3+]Cc1nc(C[NH+]2CCC(Cc3ccc(F)cc3)CC2)no1 ZINC000261843005 145232572 /nfs/dbraw/zinc/23/25/72/145232572.db2.gz URAVCQFVUOPZQR-UHFFFAOYSA-N 2 2 304.369 2.122 10 0 DEAELP CC1(C)C[N@@H+]([C@H]2CCCN(c3cccc(F)c3)C2=O)CC[C@@H]1[NH3+] ZINC000261841954 145232643 /nfs/dbraw/zinc/23/26/43/145232643.db2.gz QQCUUBJZJXGMHU-HOTGVXAUSA-N 2 2 319.424 2.380 10 0 DEAELP CC1(C)C[N@H+]([C@H]2CCCN(c3cccc(F)c3)C2=O)CC[C@@H]1[NH3+] ZINC000261841954 145232644 /nfs/dbraw/zinc/23/26/44/145232644.db2.gz QQCUUBJZJXGMHU-HOTGVXAUSA-N 2 2 319.424 2.380 10 0 DEAELP C[C@@H]1CCC[C@@H](NC(=O)C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1C ZINC000261859928 145235057 /nfs/dbraw/zinc/23/50/57/145235057.db2.gz FPPWTLOOLQMPMP-FEGGEPFGSA-N 2 2 307.482 2.142 10 0 DEAELP C[C@@H]1CCC[C@@H](NC(=O)C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1C ZINC000261859928 145235059 /nfs/dbraw/zinc/23/50/59/145235059.db2.gz FPPWTLOOLQMPMP-FEGGEPFGSA-N 2 2 307.482 2.142 10 0 DEAELP CCC[N@H+](CC(=O)Nc1ccccc1OC)C[C@]1(C)CC[NH2+]C1 ZINC000261892514 145238751 /nfs/dbraw/zinc/23/87/51/145238751.db2.gz UEHJZGXZNBFPKH-GOSISDBHSA-N 2 2 319.449 2.345 10 0 DEAELP CCC[N@@H+](CC(=O)Nc1ccccc1OC)C[C@]1(C)CC[NH2+]C1 ZINC000261892514 145238753 /nfs/dbraw/zinc/23/87/53/145238753.db2.gz UEHJZGXZNBFPKH-GOSISDBHSA-N 2 2 319.449 2.345 10 0 DEAELP C[NH+](C)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)C1CCCCC1 ZINC000261976833 145248242 /nfs/dbraw/zinc/24/82/42/145248242.db2.gz RDKWGWAFFCUJEZ-NCXUSEDFSA-N 3 2 323.525 2.244 10 0 DEAELP Cc1ccn2c(CN3CC[NH2+]C[C@H]3c3ccncc3)c[nH+]c2c1 ZINC000262115670 145262889 /nfs/dbraw/zinc/26/28/89/145262889.db2.gz WVWUBIDNXSSSFX-KRWDZBQOSA-N 2 2 307.401 2.184 10 0 DEAELP CC1=CC[N@H+](CCNC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)CC1 ZINC000358630130 147169265 /nfs/dbraw/zinc/16/92/65/147169265.db2.gz AWSARIOPRXWEED-HNNXBMFYSA-N 2 2 317.437 2.298 10 0 DEAELP CC1=CC[N@@H+](CCNC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)CC1 ZINC000358630130 147169267 /nfs/dbraw/zinc/16/92/67/147169267.db2.gz AWSARIOPRXWEED-HNNXBMFYSA-N 2 2 317.437 2.298 10 0 DEAELP CCCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000370306282 148004739 /nfs/dbraw/zinc/00/47/39/148004739.db2.gz UUWTYWHHSVCRTN-LSDHHAIUSA-N 2 2 318.465 2.314 10 0 DEAELP CCCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000370306282 148004740 /nfs/dbraw/zinc/00/47/40/148004740.db2.gz UUWTYWHHSVCRTN-LSDHHAIUSA-N 2 2 318.465 2.314 10 0 DEAELP C[C@H](CC1CC1)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000112719603 401756479 /nfs/dbraw/zinc/75/64/79/401756479.db2.gz GTVNXARGHARVCC-CQSZACIVSA-N 2 2 322.497 2.033 10 0 DEAELP C[C@@H]1C[C@H]([NH+](C)CC(=O)N(C)CC2CCCCC2)CC[N@@H+]1C ZINC000123112832 402111232 /nfs/dbraw/zinc/11/12/32/402111232.db2.gz XJQVZYAQPIQZCP-NVXWUHKLSA-N 2 2 309.498 2.440 10 0 DEAELP C[C@@H]1C[C@H]([NH+](C)CC(=O)N(C)CC2CCCCC2)CC[N@H+]1C ZINC000123112832 402111233 /nfs/dbraw/zinc/11/12/33/402111233.db2.gz XJQVZYAQPIQZCP-NVXWUHKLSA-N 2 2 309.498 2.440 10 0 DEAELP C[C@@H]1C[C@H]([N@H+](C)CC(=O)N(C)CC2CCCCC2)CC[NH+]1C ZINC000123112832 402111234 /nfs/dbraw/zinc/11/12/34/402111234.db2.gz XJQVZYAQPIQZCP-NVXWUHKLSA-N 2 2 309.498 2.440 10 0 DEAELP C[C@@H]1C[C@H]([N@@H+](C)CC(=O)N(C)CC2CCCCC2)CC[NH+]1C ZINC000123112832 402111236 /nfs/dbraw/zinc/11/12/36/402111236.db2.gz XJQVZYAQPIQZCP-NVXWUHKLSA-N 2 2 309.498 2.440 10 0 DEAELP C[C@H](C(=O)N[C@@H](C)c1ccccc1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000124319031 402174325 /nfs/dbraw/zinc/17/43/25/402174325.db2.gz ZDMATJKRADKLBF-JKSUJKDBSA-N 2 2 314.433 2.471 10 0 DEAELP C[C@H](C(=O)N[C@@H](C)c1ccccc1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124319031 402174329 /nfs/dbraw/zinc/17/43/29/402174329.db2.gz ZDMATJKRADKLBF-JKSUJKDBSA-N 2 2 314.433 2.471 10 0 DEAELP Cc1[nH+]c2ccccc2n1CC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000071839740 402286655 /nfs/dbraw/zinc/28/66/55/402286655.db2.gz RPNXXEKETIGFGM-OAHLLOKOSA-N 2 2 312.417 2.041 10 0 DEAELP Cc1[nH+]c2ccccc2n1CC(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000071839740 402286658 /nfs/dbraw/zinc/28/66/58/402286658.db2.gz RPNXXEKETIGFGM-OAHLLOKOSA-N 2 2 312.417 2.041 10 0 DEAELP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cc(-c3cnn(C)c3)no2)C1 ZINC000185013525 402316789 /nfs/dbraw/zinc/31/67/89/402316789.db2.gz GQGHEMWJXUKKEY-CQSZACIVSA-N 2 2 317.437 2.239 10 0 DEAELP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cc(-c3cnn(C)c3)no2)C1 ZINC000185013525 402316794 /nfs/dbraw/zinc/31/67/94/402316794.db2.gz GQGHEMWJXUKKEY-CQSZACIVSA-N 2 2 317.437 2.239 10 0 DEAELP COC[C@H](C)C[NH2+]CCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000187635395 402506817 /nfs/dbraw/zinc/50/68/17/402506817.db2.gz TUCRDORUFQONGH-GOSISDBHSA-N 2 2 319.493 2.379 10 0 DEAELP CCCS(=O)(=O)CC[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189909573 402566484 /nfs/dbraw/zinc/56/64/84/402566484.db2.gz JGIWVLVCDQSXJA-CQSZACIVSA-N 2 2 321.446 2.348 10 0 DEAELP O[C@H](C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)C(F)(F)F ZINC000248602174 402598001 /nfs/dbraw/zinc/59/80/01/402598001.db2.gz VJCQORFAGLHTQF-ZIAGYGMSSA-N 2 2 308.388 2.498 10 0 DEAELP O[C@H](C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)C(F)(F)F ZINC000248602174 402598004 /nfs/dbraw/zinc/59/80/04/402598004.db2.gz VJCQORFAGLHTQF-ZIAGYGMSSA-N 2 2 308.388 2.498 10 0 DEAELP c1cn2c(cccc2C[N@H+]2CCCC[C@H]2CN2CCOCC2)[nH+]1 ZINC000180027489 402605478 /nfs/dbraw/zinc/60/54/78/402605478.db2.gz TYJLFNNLFGSMPF-INIZCTEOSA-N 2 2 314.433 2.021 10 0 DEAELP c1cn2c(cccc2C[N@@H+]2CCCC[C@H]2CN2CCOCC2)[nH+]1 ZINC000180027489 402605480 /nfs/dbraw/zinc/60/54/80/402605480.db2.gz TYJLFNNLFGSMPF-INIZCTEOSA-N 2 2 314.433 2.021 10 0 DEAELP CCCNC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180660353 402622787 /nfs/dbraw/zinc/62/27/87/402622787.db2.gz UEGUCJOCKAJBNI-ZIAGYGMSSA-N 2 2 300.406 2.438 10 0 DEAELP CC(C)Cn1cc[nH+]c1CNC(=O)NCCC[NH+]1CCCCC1 ZINC000173530456 402702165 /nfs/dbraw/zinc/70/21/65/402702165.db2.gz PUYALLKGMBBENR-UHFFFAOYSA-N 2 2 321.469 2.214 10 0 DEAELP Cc1[nH+]c2ccccc2n1CC(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000194919865 402822669 /nfs/dbraw/zinc/82/26/69/402822669.db2.gz GNPPUDAKYPXRDV-HNNXBMFYSA-N 2 2 316.449 2.437 10 0 DEAELP CCCC[N@H+](C)CC1CC[NH+](Cc2nnc(CC)n2C)CC1 ZINC000195431982 402845230 /nfs/dbraw/zinc/84/52/30/402845230.db2.gz NSJINGXYNIDSCC-UHFFFAOYSA-N 2 2 307.486 2.321 10 0 DEAELP CCCC[N@@H+](C)CC1CC[NH+](Cc2nnc(CC)n2C)CC1 ZINC000195431982 402845232 /nfs/dbraw/zinc/84/52/32/402845232.db2.gz NSJINGXYNIDSCC-UHFFFAOYSA-N 2 2 307.486 2.321 10 0 DEAELP CN(C(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)c1ccccc1 ZINC000195515733 402848993 /nfs/dbraw/zinc/84/89/93/402848993.db2.gz AATDFHCEKJECIQ-MRXNPFEDSA-N 2 2 324.428 2.478 10 0 DEAELP CN(C(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)c1ccccc1 ZINC000195515733 402848994 /nfs/dbraw/zinc/84/89/94/402848994.db2.gz AATDFHCEKJECIQ-MRXNPFEDSA-N 2 2 324.428 2.478 10 0 DEAELP Cc1cn2cc(NC(=O)N3C[C@@H]4CCC[N@H+]4C[C@H]3C)ccc2[nH+]1 ZINC000271233474 403282338 /nfs/dbraw/zinc/28/23/38/403282338.db2.gz DSJVDPDQPCKWHK-HIFRSBDPSA-N 2 2 313.405 2.343 10 0 DEAELP Cc1cn2cc(NC(=O)N3C[C@@H]4CCC[N@@H+]4C[C@H]3C)ccc2[nH+]1 ZINC000271233474 403282340 /nfs/dbraw/zinc/28/23/40/403282340.db2.gz DSJVDPDQPCKWHK-HIFRSBDPSA-N 2 2 313.405 2.343 10 0 DEAELP Cc1cc(NC[C@H](c2cnn(C)c2)[NH+](C)C)nc(C(C)C)[nH+]1 ZINC000301298779 403612703 /nfs/dbraw/zinc/61/27/03/403612703.db2.gz TVTAXOHNMRCSNH-CQSZACIVSA-N 2 2 302.426 2.357 10 0 DEAELP Cc1[nH+]ccn1-c1cncc(N2CCC(n3cc[nH+]c3)CC2)n1 ZINC000301816591 403684912 /nfs/dbraw/zinc/68/49/12/403684912.db2.gz JPBTWKJMPBSDOJ-UHFFFAOYSA-N 2 2 309.377 2.009 10 0 DEAELP CC1CC[NH+](Cc2nc([C@H]3C[N@@H+]4CCC[C@]4(C)CO3)no2)CC1 ZINC000329633811 404401588 /nfs/dbraw/zinc/40/15/88/404401588.db2.gz XIGGRYXUWGCVDL-RHSMWYFYSA-N 2 2 320.437 2.227 10 0 DEAELP CC1CC[NH+](Cc2nc([C@H]3C[N@H+]4CCC[C@]4(C)CO3)no2)CC1 ZINC000329633811 404401593 /nfs/dbraw/zinc/40/15/93/404401593.db2.gz XIGGRYXUWGCVDL-RHSMWYFYSA-N 2 2 320.437 2.227 10 0 DEAELP [NH3+]C1CCC([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000390537811 405045856 /nfs/dbraw/zinc/04/58/56/405045856.db2.gz GOLMABIOUOTEAE-ACBHZAAOSA-N 3 2 317.477 2.137 10 0 DEAELP [NH3+]C1CCC([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000390537811 405045859 /nfs/dbraw/zinc/04/58/59/405045859.db2.gz GOLMABIOUOTEAE-ACBHZAAOSA-N 3 2 317.477 2.137 10 0 DEAELP C[C@H]1CCOCC[N@@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000367460163 405056178 /nfs/dbraw/zinc/05/61/78/405056178.db2.gz YYGYOZSLWUJJDX-HKUYNNGSSA-N 2 2 318.461 2.388 10 0 DEAELP C[C@H]1CCOCC[N@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000367460163 405056184 /nfs/dbraw/zinc/05/61/84/405056184.db2.gz YYGYOZSLWUJJDX-HKUYNNGSSA-N 2 2 318.461 2.388 10 0 DEAELP C[C@H]1CCOCC[NH+]1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000367460163 405056189 /nfs/dbraw/zinc/05/61/89/405056189.db2.gz YYGYOZSLWUJJDX-HKUYNNGSSA-N 2 2 318.461 2.388 10 0 DEAELP C[C@H]1CCOCC[NH+]1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000367460163 405056193 /nfs/dbraw/zinc/05/61/93/405056193.db2.gz YYGYOZSLWUJJDX-HKUYNNGSSA-N 2 2 318.461 2.388 10 0 DEAELP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH+]3CC[C@@]34CCOC4)C2)cc1 ZINC000421016985 405430910 /nfs/dbraw/zinc/43/09/10/405430910.db2.gz JPVFPBBLGWESEE-MOPGFXCFSA-N 2 2 316.445 2.142 10 0 DEAELP c1ccc(C[N@H+]2CCCO[C@@H](C[NH+]3CC[C@@]34CCOC4)C2)cc1 ZINC000421016985 405430913 /nfs/dbraw/zinc/43/09/13/405430913.db2.gz JPVFPBBLGWESEE-MOPGFXCFSA-N 2 2 316.445 2.142 10 0 DEAELP c1ccc(C[NH+]2CCCO[C@@H](C[N@@H+]3CC[C@@]34CCOC4)C2)cc1 ZINC000421016985 405430914 /nfs/dbraw/zinc/43/09/14/405430914.db2.gz JPVFPBBLGWESEE-MOPGFXCFSA-N 2 2 316.445 2.142 10 0 DEAELP c1ccc(C[NH+]2CCCO[C@@H](C[N@H+]3CC[C@@]34CCOC4)C2)cc1 ZINC000421016985 405430916 /nfs/dbraw/zinc/43/09/16/405430916.db2.gz JPVFPBBLGWESEE-MOPGFXCFSA-N 2 2 316.445 2.142 10 0 DEAELP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cnnn2Cc2ccccc2)C1 ZINC000490793410 406494212 /nfs/dbraw/zinc/49/42/12/406494212.db2.gz GXIGEXJGQBRTDC-QGZVFWFLSA-N 2 2 313.449 2.148 10 0 DEAELP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cnnn2Cc2ccccc2)C1 ZINC000490793410 406494217 /nfs/dbraw/zinc/49/42/17/406494217.db2.gz GXIGEXJGQBRTDC-QGZVFWFLSA-N 2 2 313.449 2.148 10 0 DEAELP c1cc(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)sn1 ZINC000638305004 406686079 /nfs/dbraw/zinc/68/60/79/406686079.db2.gz OJLMWKVBWQPGON-UHFFFAOYSA-N 2 2 303.431 2.265 10 0 DEAELP CC[NH2+][C@H](Cc1[nH+]ccn1C)c1ccc(Br)cn1 ZINC000130871890 196118562 /nfs/dbraw/zinc/11/85/62/196118562.db2.gz TWYPRTQPQBPRPC-GFCCVEGCSA-N 2 2 309.211 2.471 10 0 DEAELP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000393245811 269099286 /nfs/dbraw/zinc/09/92/86/269099286.db2.gz SIPAVTGWBDJOIC-CABCVRRESA-N 2 2 311.470 2.317 10 0 DEAELP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000393245811 269099287 /nfs/dbraw/zinc/09/92/87/269099287.db2.gz SIPAVTGWBDJOIC-CABCVRRESA-N 2 2 311.470 2.317 10 0 DEAELP CCCc1ccc([C@@H](C)[N@@H+](CC(N)=O)C[C@@H]2CCC[NH2+]C2)cc1 ZINC000261797782 276295771 /nfs/dbraw/zinc/29/57/71/276295771.db2.gz GSGJGFRWHNQAGD-NVXWUHKLSA-N 2 2 317.477 2.487 10 0 DEAELP CCCc1ccc([C@@H](C)[N@H+](CC(N)=O)C[C@@H]2CCC[NH2+]C2)cc1 ZINC000261797782 276295774 /nfs/dbraw/zinc/29/57/74/276295774.db2.gz GSGJGFRWHNQAGD-NVXWUHKLSA-N 2 2 317.477 2.487 10 0 DEAELP CC(C)=C(F)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000131875776 277321469 /nfs/dbraw/zinc/32/14/69/277321469.db2.gz QMJMUTYNPVBLDI-UHFFFAOYSA-N 2 2 311.445 2.316 10 0 DEAELP CC[N@@H+]1CCC[C@H](NC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)C1 ZINC000106541544 279318766 /nfs/dbraw/zinc/31/87/66/279318766.db2.gz LYZGZCZJTQQDPV-UONOGXRCSA-N 2 2 305.426 2.131 10 0 DEAELP CC[N@H+]1CCC[C@H](NC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)C1 ZINC000106541544 279318768 /nfs/dbraw/zinc/31/87/68/279318768.db2.gz LYZGZCZJTQQDPV-UONOGXRCSA-N 2 2 305.426 2.131 10 0 DEAELP CC1(C)C[N@H+](CC(=O)N[C@@H](c2ccccc2)C2CC2)CC[C@H]1[NH3+] ZINC000261821906 535353015 /nfs/dbraw/zinc/35/30/15/535353015.db2.gz XZVYAILYOPLQDM-AEFFLSMTSA-N 2 2 315.461 2.313 10 0 DEAELP CC1(C)C[N@@H+](CC(=O)N[C@@H](c2ccccc2)C2CC2)CC[C@H]1[NH3+] ZINC000261821906 535353019 /nfs/dbraw/zinc/35/30/19/535353019.db2.gz XZVYAILYOPLQDM-AEFFLSMTSA-N 2 2 315.461 2.313 10 0 DEAELP CC(C)c1cnc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)o1 ZINC000733309316 649540507 /nfs/dbraw/zinc/54/05/07/649540507.db2.gz JMMJRIQURVLHNP-UHFFFAOYSA-N 2 2 307.438 2.342 10 0 DEAELP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ncccc3Br)C[C@@H]21 ZINC000386678443 685419095 /nfs/dbraw/zinc/41/90/95/685419095.db2.gz XWSQCCLGSBIGTI-GMXVVIOVSA-N 2 2 310.239 2.403 10 0 DEAELP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ncccc3Br)C[C@@H]21 ZINC000386678443 685419099 /nfs/dbraw/zinc/41/90/99/685419099.db2.gz XWSQCCLGSBIGTI-GMXVVIOVSA-N 2 2 310.239 2.403 10 0 DEAELP CCc1ccc(C[NH+]2CCN(C(=O)CCCCC[NH3+])CC2)s1 ZINC000155649798 684277655 /nfs/dbraw/zinc/27/76/55/684277655.db2.gz GYLBQQZVPUUSCK-UHFFFAOYSA-N 2 2 323.506 2.474 10 0 DEAELP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000401944113 801859544 /nfs/dbraw/zinc/85/95/44/801859544.db2.gz QEEJGTUYLJXWID-SJORKVTESA-N 2 2 317.433 2.081 10 0 DEAELP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000401944113 801859551 /nfs/dbraw/zinc/85/95/51/801859551.db2.gz QEEJGTUYLJXWID-SJORKVTESA-N 2 2 317.433 2.081 10 0 DEAELP c1cn(-c2ccc(C[NH2+]CCCOC[C@H]3CCOC3)cc2)c[nH+]1 ZINC000077446947 1080472741 /nfs/dbraw/zinc/47/27/41/1080472741.db2.gz LPJANUOBDGOITI-QGZVFWFLSA-N 2 2 315.417 2.405 10 0 DEAELP C[NH2+]CCOCC[N@H+](C)Cc1cccc(F)c1Br ZINC000706619127 1086643320 /nfs/dbraw/zinc/64/33/20/1086643320.db2.gz GTWKNNZMDISGGV-UHFFFAOYSA-N 2 2 319.218 2.256 10 0 DEAELP C[NH2+]CCOCC[N@@H+](C)Cc1cccc(F)c1Br ZINC000706619127 1086643324 /nfs/dbraw/zinc/64/33/24/1086643324.db2.gz GTWKNNZMDISGGV-UHFFFAOYSA-N 2 2 319.218 2.256 10 0 DEAELP CC(C)(C)OC(=O)N1CC(C[NH2+][C@@H]2CC[N@@H+](C(C)(C)C)C2)C1 ZINC000710983048 1086692781 /nfs/dbraw/zinc/69/27/81/1086692781.db2.gz STUDODUATCSJDP-CQSZACIVSA-N 2 2 311.470 2.316 10 0 DEAELP CC(C)(C)OC(=O)N1CC(C[NH2+][C@@H]2CC[N@H+](C(C)(C)C)C2)C1 ZINC000710983048 1086692784 /nfs/dbraw/zinc/69/27/84/1086692784.db2.gz STUDODUATCSJDP-CQSZACIVSA-N 2 2 311.470 2.316 10 0 DEAELP CCCCc1[nH]c([C@@H]2C[C@H]3CN(C)C(=O)[C@]34CCC[N@H+]24)c[nH+]1 ZINC000095501927 185374978 /nfs/dbraw/zinc/37/49/78/185374978.db2.gz INDSBXAWOODIMY-JDFRZJQESA-N 2 2 302.422 2.120 10 0 DEAELP CCCCc1[nH]c([C@@H]2C[C@H]3CN(C)C(=O)[C@]34CCC[N@@H+]24)c[nH+]1 ZINC000095501927 185374979 /nfs/dbraw/zinc/37/49/79/185374979.db2.gz INDSBXAWOODIMY-JDFRZJQESA-N 2 2 302.422 2.120 10 0 DEAELP CCC[NH2+][C@](CO)(C[NH+]1CCC(C(F)(F)F)CC1)C1CC1 ZINC000088439750 185250618 /nfs/dbraw/zinc/25/06/18/185250618.db2.gz WCIZMAYWZJZGBU-AWEZNQCLSA-N 2 2 308.388 2.401 10 0 DEAELP Clc1cccc(Cl)c1C[NH+]1CCN(C2C[NH2+]C2)CC1 ZINC000090306749 185290320 /nfs/dbraw/zinc/29/03/20/185290320.db2.gz CLNFGLMDBGVELA-UHFFFAOYSA-N 2 2 300.233 2.083 10 0 DEAELP C[C@@H]1[C@H]2C[NH2+]C[C@@H]2C[N@@H+]1Cc1cc(Cl)c2c(c1)OCCO2 ZINC000090327328 185291338 /nfs/dbraw/zinc/29/13/38/185291338.db2.gz ZQFCDWJNJSJGQF-RAIGVLPGSA-N 2 2 308.809 2.151 10 0 DEAELP C[C@@H]1[C@H]2C[NH2+]C[C@@H]2C[N@H+]1Cc1cc(Cl)c2c(c1)OCCO2 ZINC000090327328 185291339 /nfs/dbraw/zinc/29/13/39/185291339.db2.gz ZQFCDWJNJSJGQF-RAIGVLPGSA-N 2 2 308.809 2.151 10 0 DEAELP CC1(C)[C@@H]2C[NH2+]C[C@@H]2C[N@@H+]1CC(=O)Nc1ccc(Cl)cc1 ZINC000090337856 185291981 /nfs/dbraw/zinc/29/19/81/185291981.db2.gz UWENSBTZPNRWBO-BXUZGUMPSA-N 2 2 307.825 2.208 10 0 DEAELP CC1(C)[C@@H]2C[NH2+]C[C@@H]2C[N@H+]1CC(=O)Nc1ccc(Cl)cc1 ZINC000090337856 185291982 /nfs/dbraw/zinc/29/19/82/185291982.db2.gz UWENSBTZPNRWBO-BXUZGUMPSA-N 2 2 307.825 2.208 10 0 DEAELP CN(Cc1ccccc1Br)[C@@H](C[NH3+])c1c[nH+]cn1C ZINC000090167508 185284721 /nfs/dbraw/zinc/28/47/21/185284721.db2.gz BYQZYLJCYIZCPG-ZDUSSCGKSA-N 2 2 323.238 2.314 10 0 DEAELP CC(C)(C)OC(=O)NCC[N@@H+]1CCc2ccccc2[C@H]1CC[NH3+] ZINC000616681486 362908999 /nfs/dbraw/zinc/90/89/99/362908999.db2.gz YIHYLJATJWIHMG-MRXNPFEDSA-N 2 2 319.449 2.459 10 0 DEAELP CC(C)(C)OC(=O)NCC[N@H+]1CCc2ccccc2[C@H]1CC[NH3+] ZINC000616681486 362909001 /nfs/dbraw/zinc/90/90/01/362909001.db2.gz YIHYLJATJWIHMG-MRXNPFEDSA-N 2 2 319.449 2.459 10 0 DEAELP CC[NH2+][C@@H](Cc1[nH+]ccn1C)c1ncccc1Br ZINC000140495428 186026910 /nfs/dbraw/zinc/02/69/10/186026910.db2.gz UCKMYXXNEIRBSB-NSHDSACASA-N 2 2 309.211 2.471 10 0 DEAELP O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1cccc(-n2cc[nH+]c2)c1 ZINC000332886443 539942734 /nfs/dbraw/zinc/94/27/34/539942734.db2.gz JTFHRYUDOSEPNO-DLBZAZTESA-N 2 2 310.401 2.229 10 0 DEAELP O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)c1cccc(-n2cc[nH+]c2)c1 ZINC000332886443 539942739 /nfs/dbraw/zinc/94/27/39/539942739.db2.gz JTFHRYUDOSEPNO-DLBZAZTESA-N 2 2 310.401 2.229 10 0 DEAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N2CCc3ccccc32)[C@H](C)C1 ZINC000174775393 198383362 /nfs/dbraw/zinc/38/33/62/198383362.db2.gz RRZLUFKENWTZMI-NVXWUHKLSA-N 2 2 315.461 2.238 10 0 DEAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N2CCc3ccccc32)[C@H](C)C1 ZINC000174775393 198383363 /nfs/dbraw/zinc/38/33/63/198383363.db2.gz RRZLUFKENWTZMI-NVXWUHKLSA-N 2 2 315.461 2.238 10 0 DEAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N2CCc3ccccc32)[C@H](C)C1 ZINC000174775393 198383364 /nfs/dbraw/zinc/38/33/64/198383364.db2.gz RRZLUFKENWTZMI-NVXWUHKLSA-N 2 2 315.461 2.238 10 0 DEAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N2CCc3ccccc32)[C@H](C)C1 ZINC000174775393 198383365 /nfs/dbraw/zinc/38/33/65/198383365.db2.gz RRZLUFKENWTZMI-NVXWUHKLSA-N 2 2 315.461 2.238 10 0 DEAELP Cc1nnc([C@@H](C)[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)o1 ZINC000069016743 354844642 /nfs/dbraw/zinc/84/46/42/354844642.db2.gz HFPSEYRFWDXUQG-HZSPNIEDSA-N 2 2 322.453 2.260 10 0 DEAELP Cc1nnc([C@@H](C)[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)o1 ZINC000069016743 354844645 /nfs/dbraw/zinc/84/46/45/354844645.db2.gz HFPSEYRFWDXUQG-HZSPNIEDSA-N 2 2 322.453 2.260 10 0 DEAELP Cc1cncc(CC[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000402863379 540143693 /nfs/dbraw/zinc/14/36/93/540143693.db2.gz YPQWLXXXQWZJEA-DNVCBOLYSA-N 2 2 310.445 2.438 10 0 DEAELP Cc1cncc(CC[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000402863379 540143696 /nfs/dbraw/zinc/14/36/96/540143696.db2.gz YPQWLXXXQWZJEA-DNVCBOLYSA-N 2 2 310.445 2.438 10 0 DEAELP c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3cnn(-c4ccccc4)n3)C2)[nH]1 ZINC000080958639 355395830 /nfs/dbraw/zinc/39/58/30/355395830.db2.gz HZRHWQXFHDMNTQ-CQSZACIVSA-N 2 2 308.389 2.370 10 0 DEAELP c1c[nH+]c([C@@H]2CCC[N@H+](Cc3cnn(-c4ccccc4)n3)C2)[nH]1 ZINC000080958639 355395832 /nfs/dbraw/zinc/39/58/32/355395832.db2.gz HZRHWQXFHDMNTQ-CQSZACIVSA-N 2 2 308.389 2.370 10 0 DEAELP CCCCOC[C@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000393926510 356713402 /nfs/dbraw/zinc/71/34/02/356713402.db2.gz HEZPJYOHQDJBCG-QXAKKESOSA-N 2 2 320.477 2.417 10 0 DEAELP CCCCOC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000393926510 356713406 /nfs/dbraw/zinc/71/34/06/356713406.db2.gz HEZPJYOHQDJBCG-QXAKKESOSA-N 2 2 320.477 2.417 10 0 DEAELP Cc1nn(C)c2ncc(C[N@@H+]3CCC[C@H]3Cn3cc[nH+]c3)cc12 ZINC000179271574 199007766 /nfs/dbraw/zinc/00/77/66/199007766.db2.gz RWWFHCINOZSBRE-HNNXBMFYSA-N 2 2 310.405 2.138 10 0 DEAELP Cc1nn(C)c2ncc(C[N@H+]3CCC[C@H]3Cn3cc[nH+]c3)cc12 ZINC000179271574 199007768 /nfs/dbraw/zinc/00/77/68/199007768.db2.gz RWWFHCINOZSBRE-HNNXBMFYSA-N 2 2 310.405 2.138 10 0 DEAELP c1cc(C[NH+]2CCC([NH2+]CCOCC3CCC3)CC2)ccn1 ZINC000515263735 283473294 /nfs/dbraw/zinc/47/32/94/283473294.db2.gz HZTMRBKDPXNUJE-UHFFFAOYSA-N 2 2 303.450 2.452 10 0 DEAELP C[C@H](NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)C(C)(C)C[NH+](C)C ZINC000443675210 238120543 /nfs/dbraw/zinc/12/05/43/238120543.db2.gz QVYDMQKRSYJNJX-ZDUSSCGKSA-N 2 2 321.469 2.275 10 0 DEAELP C[N@H+](Cc1ccc(Cl)cc1)[C@@H](C[NH3+])CC(=O)N1CCCC1 ZINC000091323357 193040698 /nfs/dbraw/zinc/04/06/98/193040698.db2.gz CVFYTNDVLWOJEJ-OAHLLOKOSA-N 2 2 309.841 2.112 10 0 DEAELP C[N@@H+](Cc1ccc(Cl)cc1)[C@@H](C[NH3+])CC(=O)N1CCCC1 ZINC000091323357 193040700 /nfs/dbraw/zinc/04/07/00/193040700.db2.gz CVFYTNDVLWOJEJ-OAHLLOKOSA-N 2 2 309.841 2.112 10 0 DEAELP C[NH2+][C@H](c1cc(Cl)ccc1OC)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721309 193097352 /nfs/dbraw/zinc/09/73/52/193097352.db2.gz RDSJSWZEAKLZAZ-UHOFOFEASA-N 2 2 310.825 2.472 10 0 DEAELP C[NH2+][C@H](c1cc(Cl)ccc1OC)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721309 193097355 /nfs/dbraw/zinc/09/73/55/193097355.db2.gz RDSJSWZEAKLZAZ-UHOFOFEASA-N 2 2 310.825 2.472 10 0 DEAELP C[NH2+]Cc1cc(Cl)cc(Cl)c1OC[C@H]1C[N@H+](C)CCO1 ZINC000092054311 193149520 /nfs/dbraw/zinc/14/95/20/193149520.db2.gz TWYKIGFDORXHJP-GFCCVEGCSA-N 2 2 319.232 2.422 10 0 DEAELP C[NH2+]Cc1cc(Cl)cc(Cl)c1OC[C@H]1C[N@@H+](C)CCO1 ZINC000092054311 193149521 /nfs/dbraw/zinc/14/95/21/193149521.db2.gz TWYKIGFDORXHJP-GFCCVEGCSA-N 2 2 319.232 2.422 10 0 DEAELP COc1c(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c(C)nn1C ZINC000092066732 193152921 /nfs/dbraw/zinc/15/29/21/193152921.db2.gz IPBXHHZBYLBSBH-PBHICJAKSA-N 2 2 318.465 2.186 10 0 DEAELP COc1c(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c(C)nn1C ZINC000092066732 193152924 /nfs/dbraw/zinc/15/29/24/193152924.db2.gz IPBXHHZBYLBSBH-PBHICJAKSA-N 2 2 318.465 2.186 10 0 DEAELP COc1c(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(C)nn1C ZINC000092066732 193152926 /nfs/dbraw/zinc/15/29/26/193152926.db2.gz IPBXHHZBYLBSBH-PBHICJAKSA-N 2 2 318.465 2.186 10 0 DEAELP COc1c(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(C)nn1C ZINC000092066732 193152928 /nfs/dbraw/zinc/15/29/28/193152928.db2.gz IPBXHHZBYLBSBH-PBHICJAKSA-N 2 2 318.465 2.186 10 0 DEAELP CC[N@H+](CC(C)(C)C[NH3+])[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000093876657 193322338 /nfs/dbraw/zinc/32/23/38/193322338.db2.gz ZMBOKHNLONFJIJ-CYBMUJFWSA-N 2 2 312.479 2.458 10 0 DEAELP CC[N@@H+](CC(C)(C)C[NH3+])[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000093876657 193322340 /nfs/dbraw/zinc/32/23/40/193322340.db2.gz ZMBOKHNLONFJIJ-CYBMUJFWSA-N 2 2 312.479 2.458 10 0 DEAELP CC(C)[NH2+]C[C@@H](O)C[N@H+](C)Cc1cccc(Br)c1 ZINC000042440490 183270090 /nfs/dbraw/zinc/27/00/90/183270090.db2.gz GYEZEQOZEGHAQX-CQSZACIVSA-N 2 2 315.255 2.240 10 0 DEAELP CC(C)[NH2+]C[C@@H](O)C[N@@H+](C)Cc1cccc(Br)c1 ZINC000042440490 183270092 /nfs/dbraw/zinc/27/00/92/183270092.db2.gz GYEZEQOZEGHAQX-CQSZACIVSA-N 2 2 315.255 2.240 10 0 DEAELP COCC[N@H+](C)[C@H](c1cccc(Br)c1)[C@H](C)[NH3+] ZINC000043021235 183329795 /nfs/dbraw/zinc/32/97/95/183329795.db2.gz QBJUTIKQBFNLNR-GWCFXTLKSA-N 2 2 301.228 2.416 10 0 DEAELP COCC[N@@H+](C)[C@H](c1cccc(Br)c1)[C@H](C)[NH3+] ZINC000043021235 183329798 /nfs/dbraw/zinc/32/97/98/183329798.db2.gz QBJUTIKQBFNLNR-GWCFXTLKSA-N 2 2 301.228 2.416 10 0 DEAELP CC[C@H]([NH3+])[C@@H](c1ccc(C)s1)[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000043240622 183346153 /nfs/dbraw/zinc/34/61/53/183346153.db2.gz NTLGGNCZQGRULR-GUTXKFCHSA-N 2 2 309.479 2.388 10 0 DEAELP CC[C@H]([NH3+])[C@@H](c1ccc(C)s1)[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000043240622 183346155 /nfs/dbraw/zinc/34/61/55/183346155.db2.gz NTLGGNCZQGRULR-GUTXKFCHSA-N 2 2 309.479 2.388 10 0 DEAELP CC[C@@H]([NH3+])[C@H](c1sccc1C)[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000043248011 183346759 /nfs/dbraw/zinc/34/67/59/183346759.db2.gz CKTDYXVTKLAENH-MGPQQGTHSA-N 2 2 309.479 2.388 10 0 DEAELP CC[C@@H]([NH3+])[C@H](c1sccc1C)[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000043248011 183346762 /nfs/dbraw/zinc/34/67/62/183346762.db2.gz CKTDYXVTKLAENH-MGPQQGTHSA-N 2 2 309.479 2.388 10 0 DEAELP CC[C@H]([NH3+])[C@@H](c1sccc1C)[NH+](CCOC)CCOC ZINC000043248092 183347121 /nfs/dbraw/zinc/34/71/21/183347121.db2.gz FWHBSASCHWXFHS-KBPBESRZSA-N 2 2 300.468 2.430 10 0 DEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)c2cccn2C)C1 ZINC000106215387 194189942 /nfs/dbraw/zinc/18/99/42/194189942.db2.gz MMTBKAOTIFJIRV-CQSZACIVSA-N 2 2 300.406 2.304 10 0 DEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)c2cccn2C)C1 ZINC000106215387 194189943 /nfs/dbraw/zinc/18/99/43/194189943.db2.gz MMTBKAOTIFJIRV-CQSZACIVSA-N 2 2 300.406 2.304 10 0 DEAELP CC[N@@H+]1CCC[C@@H](NC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)C1 ZINC000106541545 194227437 /nfs/dbraw/zinc/22/74/37/194227437.db2.gz LYZGZCZJTQQDPV-ZIAGYGMSSA-N 2 2 305.426 2.131 10 0 DEAELP CC[N@H+]1CCC[C@@H](NC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)C1 ZINC000106541545 194227438 /nfs/dbraw/zinc/22/74/38/194227438.db2.gz LYZGZCZJTQQDPV-ZIAGYGMSSA-N 2 2 305.426 2.131 10 0 DEAELP NC(=S)c1cc2c([nH+]c1NCCC[NH+]1CCCC1)CCC2 ZINC000062080463 184204849 /nfs/dbraw/zinc/20/48/49/184204849.db2.gz KYILXFSIBDGLNY-UHFFFAOYSA-N 2 2 304.463 2.102 10 0 DEAELP CC(C)CC(=O)Nc1ncc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)s1 ZINC000725273007 542771009 /nfs/dbraw/zinc/77/10/09/542771009.db2.gz XDKQFWKXAYEYBX-WCQYABFASA-N 2 2 310.467 2.297 10 0 DEAELP CC(C)CC(=O)Nc1ncc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)s1 ZINC000725273007 542771012 /nfs/dbraw/zinc/77/10/12/542771012.db2.gz XDKQFWKXAYEYBX-WCQYABFASA-N 2 2 310.467 2.297 10 0 DEAELP [NH3+]Cc1cc(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)on1 ZINC000052443468 134765868 /nfs/dbraw/zinc/76/58/68/134765868.db2.gz QDLAYTHOLBTACB-UHFFFAOYSA-N 2 2 306.797 2.109 10 0 DEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@H](O)CC(F)(F)F)C1 ZINC000189218410 145023782 /nfs/dbraw/zinc/02/37/82/145023782.db2.gz BCIAMICAYRAERD-NWDGAFQWSA-N 2 2 305.344 2.396 10 0 DEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@H](O)CC(F)(F)F)C1 ZINC000189218410 145023783 /nfs/dbraw/zinc/02/37/83/145023783.db2.gz BCIAMICAYRAERD-NWDGAFQWSA-N 2 2 305.344 2.396 10 0 DEAELP Cc1cccc(CNC(=O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000246562422 145106727 /nfs/dbraw/zinc/10/67/27/145106727.db2.gz DOYKTCJACSPCBL-DOTOQJQBSA-N 2 2 303.450 2.026 10 0 DEAELP Cc1cccc(CNC(=O)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000246562422 145106729 /nfs/dbraw/zinc/10/67/29/145106729.db2.gz DOYKTCJACSPCBL-DOTOQJQBSA-N 2 2 303.450 2.026 10 0 DEAELP Cc1cccc(CNC(=O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000246562422 145106731 /nfs/dbraw/zinc/10/67/31/145106731.db2.gz DOYKTCJACSPCBL-DOTOQJQBSA-N 2 2 303.450 2.026 10 0 DEAELP Cc1cccc(CNC(=O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000246562422 145106733 /nfs/dbraw/zinc/10/67/33/145106733.db2.gz DOYKTCJACSPCBL-DOTOQJQBSA-N 2 2 303.450 2.026 10 0 DEAELP Cc1ccccc1CCNC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246762703 145113046 /nfs/dbraw/zinc/11/30/46/145113046.db2.gz NTUCZGYIUSVMCH-FUHWJXTLSA-N 2 2 317.477 2.068 10 0 DEAELP Cc1ccccc1CCNC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246762703 145113048 /nfs/dbraw/zinc/11/30/48/145113048.db2.gz NTUCZGYIUSVMCH-FUHWJXTLSA-N 2 2 317.477 2.068 10 0 DEAELP Cc1ccccc1CCNC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246762703 145113049 /nfs/dbraw/zinc/11/30/49/145113049.db2.gz NTUCZGYIUSVMCH-FUHWJXTLSA-N 2 2 317.477 2.068 10 0 DEAELP Cc1ccccc1CCNC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246762703 145113052 /nfs/dbraw/zinc/11/30/52/145113052.db2.gz NTUCZGYIUSVMCH-FUHWJXTLSA-N 2 2 317.477 2.068 10 0 DEAELP Cc1ccccc1CN(C)C(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246966084 145121248 /nfs/dbraw/zinc/12/12/48/145121248.db2.gz RRXRGIQHRSUUES-FUHWJXTLSA-N 2 2 317.477 2.368 10 0 DEAELP Cc1ccccc1CN(C)C(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246966084 145121249 /nfs/dbraw/zinc/12/12/49/145121249.db2.gz RRXRGIQHRSUUES-FUHWJXTLSA-N 2 2 317.477 2.368 10 0 DEAELP Cc1ccccc1CN(C)C(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246966084 145121250 /nfs/dbraw/zinc/12/12/50/145121250.db2.gz RRXRGIQHRSUUES-FUHWJXTLSA-N 2 2 317.477 2.368 10 0 DEAELP Cc1ccccc1CN(C)C(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246966084 145121251 /nfs/dbraw/zinc/12/12/51/145121251.db2.gz RRXRGIQHRSUUES-FUHWJXTLSA-N 2 2 317.477 2.368 10 0 DEAELP C[C@H](c1nc(-c2cccnc2)no1)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000247017556 145123720 /nfs/dbraw/zinc/12/37/20/145123720.db2.gz QPRGECHOGJIENJ-KGLIPLIRSA-N 2 2 315.421 2.466 10 0 DEAELP C[C@H](c1nc(-c2cccnc2)no1)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000247017556 145123722 /nfs/dbraw/zinc/12/37/22/145123722.db2.gz QPRGECHOGJIENJ-KGLIPLIRSA-N 2 2 315.421 2.466 10 0 DEAELP C[C@H](c1nc(-c2cccnc2)no1)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000247017556 145123724 /nfs/dbraw/zinc/12/37/24/145123724.db2.gz QPRGECHOGJIENJ-KGLIPLIRSA-N 2 2 315.421 2.466 10 0 DEAELP C[C@H](c1nc(-c2cccnc2)no1)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000247017556 145123725 /nfs/dbraw/zinc/12/37/25/145123725.db2.gz QPRGECHOGJIENJ-KGLIPLIRSA-N 2 2 315.421 2.466 10 0 DEAELP Cc1ccc2[nH+]cc(C[N@@H+]3CCS[C@H]4COCC[C@H]43)n2c1 ZINC000247067017 145124847 /nfs/dbraw/zinc/12/48/47/145124847.db2.gz VNWWSJBGMZMNEJ-CABCVRRESA-N 2 2 303.431 2.349 10 0 DEAELP Cc1ccc2[nH+]cc(C[N@H+]3CCS[C@H]4COCC[C@H]43)n2c1 ZINC000247067017 145124849 /nfs/dbraw/zinc/12/48/49/145124849.db2.gz VNWWSJBGMZMNEJ-CABCVRRESA-N 2 2 303.431 2.349 10 0 DEAELP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H](O)c3c(F)cccc3F)CC[C@H]21 ZINC000248059924 145147276 /nfs/dbraw/zinc/14/72/76/145147276.db2.gz YBRDCWNSQIKDGS-WQVCFCJDSA-N 2 2 310.388 2.414 10 0 DEAELP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H](O)c3c(F)cccc3F)CC[C@H]21 ZINC000248059924 145147277 /nfs/dbraw/zinc/14/72/77/145147277.db2.gz YBRDCWNSQIKDGS-WQVCFCJDSA-N 2 2 310.388 2.414 10 0 DEAELP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H](O)c3c(F)cccc3F)CC[C@H]21 ZINC000248059924 145147278 /nfs/dbraw/zinc/14/72/78/145147278.db2.gz YBRDCWNSQIKDGS-WQVCFCJDSA-N 2 2 310.388 2.414 10 0 DEAELP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H](O)c3c(F)cccc3F)CC[C@H]21 ZINC000248059924 145147279 /nfs/dbraw/zinc/14/72/79/145147279.db2.gz YBRDCWNSQIKDGS-WQVCFCJDSA-N 2 2 310.388 2.414 10 0 DEAELP COc1ccnc(C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1OC ZINC000249113432 145178710 /nfs/dbraw/zinc/17/87/10/145178710.db2.gz RNQDWANPXSDEDJ-DZGCQCFKSA-N 2 2 316.405 2.378 10 0 DEAELP COc1ccnc(C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1OC ZINC000249113432 145178712 /nfs/dbraw/zinc/17/87/12/145178712.db2.gz RNQDWANPXSDEDJ-DZGCQCFKSA-N 2 2 316.405 2.378 10 0 DEAELP C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261715606 145220238 /nfs/dbraw/zinc/22/02/38/145220238.db2.gz MWCLLKUPUMEGMG-CJNGLKHVSA-N 2 2 321.440 2.232 10 0 DEAELP C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261715606 145220240 /nfs/dbraw/zinc/22/02/40/145220240.db2.gz MWCLLKUPUMEGMG-CJNGLKHVSA-N 2 2 321.440 2.232 10 0 DEAELP COc1ccc(-c2noc(C[N@@H+]3CC[C@H]([NH3+])C(C)(C)C3)n2)cc1 ZINC000261821145 145230236 /nfs/dbraw/zinc/23/02/36/145230236.db2.gz HJSZXRKQSZPWOT-AWEZNQCLSA-N 2 2 316.405 2.304 10 0 DEAELP COc1ccc(-c2noc(C[N@H+]3CC[C@H]([NH3+])C(C)(C)C3)n2)cc1 ZINC000261821145 145230238 /nfs/dbraw/zinc/23/02/38/145230238.db2.gz HJSZXRKQSZPWOT-AWEZNQCLSA-N 2 2 316.405 2.304 10 0 DEAELP COc1ccc(OC)c([C@H](C)[NH2+][C@H](C)C[C@H]2COCC[NH2+]2)c1 ZINC000261822046 145230484 /nfs/dbraw/zinc/23/04/84/145230484.db2.gz ASAQAJBUKBMMNN-RDBSUJKOSA-N 2 2 308.422 2.121 10 0 DEAELP Cc1ccc2[nH]c(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3COCC[NH2+]3)nc2c1 ZINC000261861095 145235077 /nfs/dbraw/zinc/23/50/77/145235077.db2.gz CEALQCPKNSECCJ-CPUCHLNUSA-N 2 2 314.433 2.118 10 0 DEAELP Cc1ccc2nc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3COCC[NH2+]3)[nH]c2c1 ZINC000261861095 145235079 /nfs/dbraw/zinc/23/50/79/145235079.db2.gz CEALQCPKNSECCJ-CPUCHLNUSA-N 2 2 314.433 2.118 10 0 DEAELP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1)c1ccccc1 ZINC000261872807 145236068 /nfs/dbraw/zinc/23/60/68/145236068.db2.gz TWLNUFRZNWJSLG-DZKIICNBSA-N 2 2 303.450 2.312 10 0 DEAELP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@H]([NH3+])C(C)(C)C1)c1ccccc1 ZINC000261872807 145236069 /nfs/dbraw/zinc/23/60/69/145236069.db2.gz TWLNUFRZNWJSLG-DZKIICNBSA-N 2 2 303.450 2.312 10 0 DEAELP [NH3+]CC[N@H+](CCc1ccccc1)Cc1ccc(-n2cncn2)cc1 ZINC000262003924 145252301 /nfs/dbraw/zinc/25/23/01/145252301.db2.gz LNRWFKKKPSVERE-UHFFFAOYSA-N 2 2 321.428 2.271 10 0 DEAELP [NH3+]CC[N@@H+](CCc1ccccc1)Cc1ccc(-n2cncn2)cc1 ZINC000262003924 145252302 /nfs/dbraw/zinc/25/23/02/145252302.db2.gz LNRWFKKKPSVERE-UHFFFAOYSA-N 2 2 321.428 2.271 10 0 DEAELP c1nc(-c2ccccn2)sc1C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261999423 145252324 /nfs/dbraw/zinc/25/23/24/145252324.db2.gz LENKTCGAYFXKAF-MRXNPFEDSA-N 2 2 300.431 2.391 10 0 DEAELP c1nc(-c2ccccn2)sc1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261999423 145252325 /nfs/dbraw/zinc/25/23/25/145252325.db2.gz LENKTCGAYFXKAF-MRXNPFEDSA-N 2 2 300.431 2.391 10 0 DEAELP C[C@H]1CCC[N@H+](Cc2ccc3c(c2)sc(=O)n3C)[C@H]1C[NH3+] ZINC000262047877 145256767 /nfs/dbraw/zinc/25/67/67/145256767.db2.gz ZGCHUBPPHRMIRT-FZMZJTMJSA-N 2 2 305.447 2.159 10 0 DEAELP C[C@H]1CCC[N@@H+](Cc2ccc3c(c2)sc(=O)n3C)[C@H]1C[NH3+] ZINC000262047877 145256769 /nfs/dbraw/zinc/25/67/69/145256769.db2.gz ZGCHUBPPHRMIRT-FZMZJTMJSA-N 2 2 305.447 2.159 10 0 DEAELP C[C@@H]1CCC[N@H+](Cc2ccc3c(c2)sc(=O)n3C)[C@@H]1C[NH3+] ZINC000262047871 145256815 /nfs/dbraw/zinc/25/68/15/145256815.db2.gz ZGCHUBPPHRMIRT-BXUZGUMPSA-N 2 2 305.447 2.159 10 0 DEAELP C[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)sc(=O)n3C)[C@@H]1C[NH3+] ZINC000262047871 145256818 /nfs/dbraw/zinc/25/68/18/145256818.db2.gz ZGCHUBPPHRMIRT-BXUZGUMPSA-N 2 2 305.447 2.159 10 0 DEAELP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cc(Cl)ccc1OC1CCCC1 ZINC000262067598 145259324 /nfs/dbraw/zinc/25/93/24/145259324.db2.gz BKHTYEVVRWDOGE-CJNGLKHVSA-N 2 2 324.852 2.331 10 0 DEAELP C[C@H](c1ccccc1)N(C)C(=O)C[N@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000262127097 145264435 /nfs/dbraw/zinc/26/44/35/145264435.db2.gz XVSNBTYYRJGTDZ-CRAIPNDOSA-N 2 2 303.450 2.137 10 0 DEAELP C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000262127097 145264436 /nfs/dbraw/zinc/26/44/36/145264436.db2.gz XVSNBTYYRJGTDZ-CRAIPNDOSA-N 2 2 303.450 2.137 10 0 DEAELP COCC[C@@H](COC)[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309863240 145350547 /nfs/dbraw/zinc/35/05/47/145350547.db2.gz OHFJKGYDYOJURK-MSOLQXFVSA-N 2 2 306.450 2.292 10 0 DEAELP COCC[C@@H](COC)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309863240 145350551 /nfs/dbraw/zinc/35/05/51/145350551.db2.gz OHFJKGYDYOJURK-MSOLQXFVSA-N 2 2 306.450 2.292 10 0 DEAELP c1cn(-c2csc(C[NH2+][C@H]3CCO[C@@]4(CCOC4)C3)c2)c[nH+]1 ZINC000344331951 145844617 /nfs/dbraw/zinc/84/46/17/145844617.db2.gz YFCLWIXPCIWBGS-BBRMVZONSA-N 2 2 319.430 2.362 10 0 DEAELP Cc1[nH+]cc(C[NH2+]CC[C@H](C)[S@@](C)=O)n1-c1ccccc1 ZINC000129318294 401802333 /nfs/dbraw/zinc/80/23/33/401802333.db2.gz GMESAEGRBBTVBC-ZSEKCTLFSA-N 2 2 305.447 2.427 10 0 DEAELP Cc1[nH+]c2ccccc2n1CC(=O)NCC[NH+]1CCCCCC1 ZINC000078870714 401867547 /nfs/dbraw/zinc/86/75/47/401867547.db2.gz JMQGOVDXMXUJER-UHFFFAOYSA-N 2 2 314.433 2.337 10 0 DEAELP CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]CCn2cc[nH+]c2)C1 ZINC000129938679 401812600 /nfs/dbraw/zinc/81/26/00/401812600.db2.gz MLJWVIOIXWHCGP-AWEZNQCLSA-N 2 2 308.426 2.120 10 0 DEAELP Cc1cc(NC(=O)N2CCC([N@H+]3CCO[C@H](C)C3)CC2)cc[nH+]1 ZINC000119265537 401936996 /nfs/dbraw/zinc/93/69/96/401936996.db2.gz XXVSHKQQSYPJHX-CQSZACIVSA-N 2 2 318.421 2.107 10 0 DEAELP Cc1cc(NC(=O)N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)cc[nH+]1 ZINC000119265537 401937000 /nfs/dbraw/zinc/93/70/00/401937000.db2.gz XXVSHKQQSYPJHX-CQSZACIVSA-N 2 2 318.421 2.107 10 0 DEAELP COc1cccc(NC(=O)C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000123557493 402134419 /nfs/dbraw/zinc/13/44/19/402134419.db2.gz PCVVHGRYOFMEOJ-HIFRSBDPSA-N 2 2 305.422 2.048 10 0 DEAELP COc1cccc(NC(=O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000123557493 402134421 /nfs/dbraw/zinc/13/44/21/402134421.db2.gz PCVVHGRYOFMEOJ-HIFRSBDPSA-N 2 2 305.422 2.048 10 0 DEAELP COc1cccc(NC(=O)C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000123557493 402134424 /nfs/dbraw/zinc/13/44/24/402134424.db2.gz PCVVHGRYOFMEOJ-HIFRSBDPSA-N 2 2 305.422 2.048 10 0 DEAELP COc1cccc(NC(=O)C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000123557493 402134428 /nfs/dbraw/zinc/13/44/28/402134428.db2.gz PCVVHGRYOFMEOJ-HIFRSBDPSA-N 2 2 305.422 2.048 10 0 DEAELP Cc1ccc(CNC(=O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1F ZINC000123884919 402152470 /nfs/dbraw/zinc/15/24/70/402152470.db2.gz QCPLTVQILHFEHP-GDBMZVCRSA-N 2 2 321.440 2.165 10 0 DEAELP Cc1ccc(CNC(=O)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1F ZINC000123884919 402152475 /nfs/dbraw/zinc/15/24/75/402152475.db2.gz QCPLTVQILHFEHP-GDBMZVCRSA-N 2 2 321.440 2.165 10 0 DEAELP Cc1ccc(CNC(=O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1F ZINC000123884919 402152479 /nfs/dbraw/zinc/15/24/79/402152479.db2.gz QCPLTVQILHFEHP-GDBMZVCRSA-N 2 2 321.440 2.165 10 0 DEAELP Cc1ccc(CNC(=O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1F ZINC000123884919 402152481 /nfs/dbraw/zinc/15/24/81/402152481.db2.gz QCPLTVQILHFEHP-GDBMZVCRSA-N 2 2 321.440 2.165 10 0 DEAELP C[C@H](NC(=O)[C@H](C)[N@H+](C)CCCn1cc[nH+]c1)c1ccccc1 ZINC000124319450 402174244 /nfs/dbraw/zinc/17/42/44/402174244.db2.gz ZDMATJKRADKLBF-HOTGVXAUSA-N 2 2 314.433 2.471 10 0 DEAELP C[C@H](NC(=O)[C@H](C)[N@@H+](C)CCCn1cc[nH+]c1)c1ccccc1 ZINC000124319450 402174250 /nfs/dbraw/zinc/17/42/50/402174250.db2.gz ZDMATJKRADKLBF-HOTGVXAUSA-N 2 2 314.433 2.471 10 0 DEAELP C(CN1CCCC[C@@H]1C[NH+]1CCOCC1)C[NH+]1CCCCC1 ZINC000125166256 402217249 /nfs/dbraw/zinc/21/72/49/402217249.db2.gz NZSSLGBIJTWEMM-GOSISDBHSA-N 2 2 309.498 2.049 10 0 DEAELP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1NC(C)=O ZINC000154609161 402220974 /nfs/dbraw/zinc/22/09/74/402220974.db2.gz AFBONLIWTZTVDP-DOMZBBRYSA-N 2 2 305.422 2.398 10 0 DEAELP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)cc1NC(C)=O ZINC000154609161 402220977 /nfs/dbraw/zinc/22/09/77/402220977.db2.gz AFBONLIWTZTVDP-DOMZBBRYSA-N 2 2 305.422 2.398 10 0 DEAELP C[NH+]1CCC([NH+]2CCN(c3ccc(N)cc3Cl)CC2)CC1 ZINC000217658212 402293342 /nfs/dbraw/zinc/29/33/42/402293342.db2.gz BZYAWQDGVLFOSZ-UHFFFAOYSA-N 2 2 308.857 2.138 10 0 DEAELP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cc(-c2cnn(C)c2)no1 ZINC000185020784 402317465 /nfs/dbraw/zinc/31/74/65/402317465.db2.gz FCTRQTPVBATZOR-CABCVRRESA-N 2 2 315.421 2.134 10 0 DEAELP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cc(-c2cnn(C)c2)no1 ZINC000185020784 402317466 /nfs/dbraw/zinc/31/74/66/402317466.db2.gz FCTRQTPVBATZOR-CABCVRRESA-N 2 2 315.421 2.134 10 0 DEAELP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(-c2cnn(C)c2)no1 ZINC000185020784 402317468 /nfs/dbraw/zinc/31/74/68/402317468.db2.gz FCTRQTPVBATZOR-CABCVRRESA-N 2 2 315.421 2.134 10 0 DEAELP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(-c2cnn(C)c2)no1 ZINC000185020784 402317469 /nfs/dbraw/zinc/31/74/69/402317469.db2.gz FCTRQTPVBATZOR-CABCVRRESA-N 2 2 315.421 2.134 10 0 DEAELP CC(C)[C@@H]1C[C@H]1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000185535922 402359644 /nfs/dbraw/zinc/35/96/44/402359644.db2.gz ZRTGONQZFUVGKD-DLBZAZTESA-N 2 2 321.509 2.345 10 0 DEAELP C[C@H]1CCCC[N@@H+]1CCNC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177712427 402429551 /nfs/dbraw/zinc/42/95/51/402429551.db2.gz XRSGIKMMBNSWFI-AWEZNQCLSA-N 2 2 315.421 2.008 10 0 DEAELP C[C@H]1CCCC[N@H+]1CCNC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177712427 402429553 /nfs/dbraw/zinc/42/95/53/402429553.db2.gz XRSGIKMMBNSWFI-AWEZNQCLSA-N 2 2 315.421 2.008 10 0 DEAELP CO[C@@H](C)c1noc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)n1 ZINC000245476497 402464740 /nfs/dbraw/zinc/46/47/40/402464740.db2.gz SXLFLWOUXAUMOT-STQMWFEESA-N 2 2 317.393 2.106 10 0 DEAELP CO[C@@H](C)c1noc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)n1 ZINC000245476497 402464742 /nfs/dbraw/zinc/46/47/42/402464742.db2.gz SXLFLWOUXAUMOT-STQMWFEESA-N 2 2 317.393 2.106 10 0 DEAELP c1cc(N2CC[C@H](OCC[NH+]3CCCCC3)C2)nc(C2CC2)[nH+]1 ZINC000165674290 402477780 /nfs/dbraw/zinc/47/77/80/402477780.db2.gz GQXXQGBYMSHWDI-INIZCTEOSA-N 2 2 316.449 2.435 10 0 DEAELP c1cc(N2CC[C@@H](OCC[NH+]3CCCCC3)C2)nc(C2CC2)[nH+]1 ZINC000165674436 402477821 /nfs/dbraw/zinc/47/78/21/402477821.db2.gz GQXXQGBYMSHWDI-MRXNPFEDSA-N 2 2 316.449 2.435 10 0 DEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1nnc(-c2ccco2)o1 ZINC000178309209 402483618 /nfs/dbraw/zinc/48/36/18/402483618.db2.gz KZKOKHYHRHJHNP-CYBMUJFWSA-N 2 2 313.361 2.499 10 0 DEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1nnc(-c2ccco2)o1 ZINC000178309209 402483621 /nfs/dbraw/zinc/48/36/21/402483621.db2.gz KZKOKHYHRHJHNP-CYBMUJFWSA-N 2 2 313.361 2.499 10 0 DEAELP CC(C)Cn1cc[nH+]c1CNC(=O)C[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000178809746 402542964 /nfs/dbraw/zinc/54/29/64/402542964.db2.gz ABASUENUVFAVNO-HUUCEWRRSA-N 2 2 306.454 2.181 10 0 DEAELP O=C(c1ccc2[nH+]ccn2c1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000170973830 402546635 /nfs/dbraw/zinc/54/66/35/402546635.db2.gz HVOKVABIWYSRSM-INIZCTEOSA-N 2 2 312.417 2.425 10 0 DEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C(N)=O)c2ccccc2)C1 ZINC000247370535 402565319 /nfs/dbraw/zinc/56/53/19/402565319.db2.gz UPEWUEJIMSOOPF-DOTOQJQBSA-N 2 2 312.417 2.309 10 0 DEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C(N)=O)c2ccccc2)C1 ZINC000247370535 402565321 /nfs/dbraw/zinc/56/53/21/402565321.db2.gz UPEWUEJIMSOOPF-DOTOQJQBSA-N 2 2 312.417 2.309 10 0 DEAELP CC(C)n1cc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)cn1 ZINC000179489438 402591841 /nfs/dbraw/zinc/59/18/41/402591841.db2.gz PLHOVIPOPRFKPU-GOSISDBHSA-N 2 2 319.497 2.066 10 0 DEAELP CC(C)n1cc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)cn1 ZINC000179489438 402591843 /nfs/dbraw/zinc/59/18/43/402591843.db2.gz PLHOVIPOPRFKPU-GOSISDBHSA-N 2 2 319.497 2.066 10 0 DEAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cnn(C)c2)C1 ZINC000190462532 402603045 /nfs/dbraw/zinc/60/30/45/402603045.db2.gz OBODJKBCSQVZMN-AWEZNQCLSA-N 2 2 319.478 2.139 10 0 DEAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](Cc2cnn(C)c2)C1 ZINC000190462532 402603047 /nfs/dbraw/zinc/60/30/47/402603047.db2.gz OBODJKBCSQVZMN-AWEZNQCLSA-N 2 2 319.478 2.139 10 0 DEAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2cnn(C)c2)C1 ZINC000190462532 402603049 /nfs/dbraw/zinc/60/30/49/402603049.db2.gz OBODJKBCSQVZMN-AWEZNQCLSA-N 2 2 319.478 2.139 10 0 DEAELP C[C@H]1CC[N@H+](Cc2nnc(C3CCC3)n2C)C[C@@H]1n1cc[nH+]c1 ZINC000181509045 402647898 /nfs/dbraw/zinc/64/78/98/402647898.db2.gz IENAPXGAHHQPFV-ZFWWWQNUSA-N 2 2 314.437 2.362 10 0 DEAELP CN(C)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)c1ccccc1 ZINC000262037220 402721498 /nfs/dbraw/zinc/72/14/98/402721498.db2.gz YCAYPXKMGYJQPX-NCXUSEDFSA-N 2 2 317.477 2.036 10 0 DEAELP C[NH+](C)[C@H](CN[C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)c1ccccc1 ZINC000262037220 402721500 /nfs/dbraw/zinc/72/15/00/402721500.db2.gz YCAYPXKMGYJQPX-NCXUSEDFSA-N 2 2 317.477 2.036 10 0 DEAELP Cc1ccc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)o1 ZINC000172749524 402673585 /nfs/dbraw/zinc/67/35/85/402673585.db2.gz UQDCOXBGJMJCKB-UHFFFAOYSA-N 2 2 319.449 2.268 10 0 DEAELP Cc1cc(F)ccc1N1CCC[C@H]([N@@H+]2CC[C@@](C)(C[NH3+])C2)C1=O ZINC000261915692 402719653 /nfs/dbraw/zinc/71/96/53/402719653.db2.gz YBCJDYMDNXLNRZ-WMZOPIPTSA-N 2 2 319.424 2.300 10 0 DEAELP Cc1cc(F)ccc1N1CCC[C@H]([N@H+]2CC[C@@](C)(C[NH3+])C2)C1=O ZINC000261915692 402719655 /nfs/dbraw/zinc/71/96/55/402719655.db2.gz YBCJDYMDNXLNRZ-WMZOPIPTSA-N 2 2 319.424 2.300 10 0 DEAELP Cc1csc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC000182568527 402699925 /nfs/dbraw/zinc/69/99/25/402699925.db2.gz OYHPQYZHTOGDBX-XYPWUTKMSA-N 2 2 320.506 2.194 10 0 DEAELP Cc1csc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)n1 ZINC000182568527 402699928 /nfs/dbraw/zinc/69/99/28/402699928.db2.gz OYHPQYZHTOGDBX-XYPWUTKMSA-N 2 2 320.506 2.194 10 0 DEAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2c(cccc2OC)C1 ZINC000192441608 402728807 /nfs/dbraw/zinc/72/88/07/402728807.db2.gz SFBONCFMPNAUQR-SJORKVTESA-N 2 2 318.461 2.253 10 0 DEAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2c(cccc2OC)C1 ZINC000192441608 402728809 /nfs/dbraw/zinc/72/88/09/402728809.db2.gz SFBONCFMPNAUQR-SJORKVTESA-N 2 2 318.461 2.253 10 0 DEAELP CO[C@H](C)c1noc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)n1 ZINC000175252211 402791703 /nfs/dbraw/zinc/79/17/03/402791703.db2.gz SXLFLWOUXAUMOT-CHWSQXEVSA-N 2 2 317.393 2.106 10 0 DEAELP CO[C@H](C)c1noc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)n1 ZINC000175252211 402791707 /nfs/dbraw/zinc/79/17/07/402791707.db2.gz SXLFLWOUXAUMOT-CHWSQXEVSA-N 2 2 317.393 2.106 10 0 DEAELP Cn1c2ccc(C[NH+]3CCC([NH+](C)C)CC3)cc2sc1=O ZINC000194990133 402825553 /nfs/dbraw/zinc/82/55/53/402825553.db2.gz IQCUDMSYMAWHLV-UHFFFAOYSA-N 2 2 305.447 2.126 10 0 DEAELP O[C@@H](Cc1ccccc1)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515916 402848958 /nfs/dbraw/zinc/84/89/58/402848958.db2.gz HYJAURCAAHAANF-MSOLQXFVSA-N 2 2 311.429 2.419 10 0 DEAELP O[C@@H](Cc1ccccc1)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515916 402848959 /nfs/dbraw/zinc/84/89/59/402848959.db2.gz HYJAURCAAHAANF-MSOLQXFVSA-N 2 2 311.429 2.419 10 0 DEAELP C[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cn[nH]c1 ZINC000285084462 403277682 /nfs/dbraw/zinc/27/76/82/403277682.db2.gz JSWBJIXJABRAMI-QAPCUYQASA-N 2 2 314.433 2.351 10 0 DEAELP C[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1cn[nH]c1 ZINC000285084462 403277684 /nfs/dbraw/zinc/27/76/84/403277684.db2.gz JSWBJIXJABRAMI-QAPCUYQASA-N 2 2 314.433 2.351 10 0 DEAELP [NH3+][C@H]1CCCO[C@@H]1C1CCN(c2cc[nH+]c(C3CC3)n2)CC1 ZINC000333647544 403803013 /nfs/dbraw/zinc/80/30/13/403803013.db2.gz JHAFMDCCIBCCRP-GOEBONIOSA-N 2 2 302.422 2.077 10 0 DEAELP CC1(C)COC[C@@H]1[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000313154367 403976856 /nfs/dbraw/zinc/97/68/56/403976856.db2.gz WTYPGCFKLHMSPK-ROUUACIJSA-N 2 2 318.461 2.292 10 0 DEAELP CC1(C)COC[C@@H]1[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000313154367 403976861 /nfs/dbraw/zinc/97/68/61/403976861.db2.gz WTYPGCFKLHMSPK-ROUUACIJSA-N 2 2 318.461 2.292 10 0 DEAELP Brc1ccc2ncc(C[NH2+][C@H]3CCCC[NH2+]C3)n2c1 ZINC000415072916 404801355 /nfs/dbraw/zinc/80/13/55/404801355.db2.gz XIWPEDBLTBBEOE-LBPRGKRZSA-N 2 2 323.238 2.329 10 0 DEAELP Brc1ccc2[nH+]cc(CN[C@H]3CCCC[NH2+]C3)n2c1 ZINC000415072916 404801358 /nfs/dbraw/zinc/80/13/58/404801358.db2.gz XIWPEDBLTBBEOE-LBPRGKRZSA-N 2 2 323.238 2.329 10 0 DEAELP c1ccc(C[N@@H+]2CCCO[C@H](C[NH+]3CC[C@@]34CCOC4)C2)cc1 ZINC000421016988 405431156 /nfs/dbraw/zinc/43/11/56/405431156.db2.gz JPVFPBBLGWESEE-OALUTQOASA-N 2 2 316.445 2.142 10 0 DEAELP c1ccc(C[N@H+]2CCCO[C@H](C[NH+]3CC[C@@]34CCOC4)C2)cc1 ZINC000421016988 405431157 /nfs/dbraw/zinc/43/11/57/405431157.db2.gz JPVFPBBLGWESEE-OALUTQOASA-N 2 2 316.445 2.142 10 0 DEAELP c1ccc(C[NH+]2CCCO[C@H](C[N@@H+]3CC[C@@]34CCOC4)C2)cc1 ZINC000421016988 405431159 /nfs/dbraw/zinc/43/11/59/405431159.db2.gz JPVFPBBLGWESEE-OALUTQOASA-N 2 2 316.445 2.142 10 0 DEAELP c1ccc(C[NH+]2CCCO[C@H](C[N@H+]3CC[C@@]34CCOC4)C2)cc1 ZINC000421016988 405431160 /nfs/dbraw/zinc/43/11/60/405431160.db2.gz JPVFPBBLGWESEE-OALUTQOASA-N 2 2 316.445 2.142 10 0 DEAELP c1c[nH]c([C@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)c2cccnc2)n1 ZINC000635007570 406397001 /nfs/dbraw/zinc/39/70/01/406397001.db2.gz DRTNMHRQKIDEEG-GOSISDBHSA-N 2 2 319.412 2.330 10 0 DEAELP c1c[nH+]c([C@H](NCc2cccc3c2CC[NH2+]C3)c2cccnc2)[nH]1 ZINC000635007570 406397005 /nfs/dbraw/zinc/39/70/05/406397005.db2.gz DRTNMHRQKIDEEG-GOSISDBHSA-N 2 2 319.412 2.330 10 0 DEAELP C([NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)C1([C@H]2CCCCO2)CCC1 ZINC000635012519 406400056 /nfs/dbraw/zinc/40/00/56/406400056.db2.gz MVEWJYNALBJHKG-GVDBMIGSSA-N 2 2 308.466 2.082 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1C[C@H](C)[N@H+](C)C[C@@H]1C)C2 ZINC000526010068 406533086 /nfs/dbraw/zinc/53/30/86/406533086.db2.gz NFFYGVBIAGLKDH-MELADBBJSA-N 2 2 318.465 2.189 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1C[C@H](C)[N@@H+](C)C[C@@H]1C)C2 ZINC000526010068 406533091 /nfs/dbraw/zinc/53/30/91/406533091.db2.gz NFFYGVBIAGLKDH-MELADBBJSA-N 2 2 318.465 2.189 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1C[C@H](C)[N@H+](C)C[C@@H]1C)CC2 ZINC000526010068 406533094 /nfs/dbraw/zinc/53/30/94/406533094.db2.gz NFFYGVBIAGLKDH-MELADBBJSA-N 2 2 318.465 2.189 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1C[C@H](C)[N@@H+](C)C[C@@H]1C)CC2 ZINC000526010068 406533097 /nfs/dbraw/zinc/53/30/97/406533097.db2.gz NFFYGVBIAGLKDH-MELADBBJSA-N 2 2 318.465 2.189 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCC1([NH+](C)C)CCC1)C2 ZINC000527004306 406568138 /nfs/dbraw/zinc/56/81/38/406568138.db2.gz KYYUOCNAVKUZFV-CYBMUJFWSA-N 2 2 318.465 2.239 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCC1([NH+](C)C)CCC1)CC2 ZINC000527004306 406568141 /nfs/dbraw/zinc/56/81/41/406568141.db2.gz KYYUOCNAVKUZFV-CYBMUJFWSA-N 2 2 318.465 2.239 10 0 DEAELP Cc1nc(N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)nc(N)[nH+]1 ZINC000379686926 424907662 /nfs/dbraw/zinc/90/76/62/424907662.db2.gz BYFJHDNUQYRWBW-DOMZBBRYSA-N 2 2 312.421 2.227 10 0 DEAELP Cc1nc(N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)nc(N)[nH+]1 ZINC000379686926 424907665 /nfs/dbraw/zinc/90/76/65/424907665.db2.gz BYFJHDNUQYRWBW-DOMZBBRYSA-N 2 2 312.421 2.227 10 0 DEAELP Cc1nc(N)nc(N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)[nH+]1 ZINC000379686926 424907669 /nfs/dbraw/zinc/90/76/69/424907669.db2.gz BYFJHDNUQYRWBW-DOMZBBRYSA-N 2 2 312.421 2.227 10 0 DEAELP Cc1nc(N)nc(N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)[nH+]1 ZINC000379686926 424907670 /nfs/dbraw/zinc/90/76/70/424907670.db2.gz BYFJHDNUQYRWBW-DOMZBBRYSA-N 2 2 312.421 2.227 10 0 DEAELP C[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]C[C@@H](O)CC(F)(F)F ZINC000307947781 424893325 /nfs/dbraw/zinc/89/33/25/424893325.db2.gz OKBFNDLPNQVBLF-JSGCOSHPSA-N 2 2 304.356 2.410 10 0 DEAELP C[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C[C@@H](O)CC(F)(F)F ZINC000307947781 424893327 /nfs/dbraw/zinc/89/33/27/424893327.db2.gz OKBFNDLPNQVBLF-JSGCOSHPSA-N 2 2 304.356 2.410 10 0 DEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2cccc(F)c2)[C@H](C)C1 ZINC000081096834 267379185 /nfs/dbraw/zinc/37/91/85/267379185.db2.gz IRPPYUQMFCEVRR-CJNGLKHVSA-N 2 2 307.413 2.426 10 0 DEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2cccc(F)c2)[C@H](C)C1 ZINC000081096834 267379190 /nfs/dbraw/zinc/37/91/90/267379190.db2.gz IRPPYUQMFCEVRR-CJNGLKHVSA-N 2 2 307.413 2.426 10 0 DEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2cccc(F)c2)[C@H](C)C1 ZINC000081096834 267379191 /nfs/dbraw/zinc/37/91/91/267379191.db2.gz IRPPYUQMFCEVRR-CJNGLKHVSA-N 2 2 307.413 2.426 10 0 DEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2cccc(F)c2)[C@H](C)C1 ZINC000081096834 267379192 /nfs/dbraw/zinc/37/91/92/267379192.db2.gz IRPPYUQMFCEVRR-CJNGLKHVSA-N 2 2 307.413 2.426 10 0 DEAELP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCOc1ccc(Br)cc1 ZINC000358031670 269040798 /nfs/dbraw/zinc/04/07/98/269040798.db2.gz YUARFLIERQFMHM-SMDDNHRTSA-N 2 2 313.239 2.368 10 0 DEAELP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCOc1ccc(Br)cc1 ZINC000358031670 269040799 /nfs/dbraw/zinc/04/07/99/269040799.db2.gz YUARFLIERQFMHM-SMDDNHRTSA-N 2 2 313.239 2.368 10 0 DEAELP C[C@@H](COCc1ccccc1)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000390527410 269097476 /nfs/dbraw/zinc/09/74/76/269097476.db2.gz JWWKKUUQKYSXOY-AWEZNQCLSA-N 2 2 302.422 2.181 10 0 DEAELP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@@H](C)c2ccccc2C)CC1 ZINC000120952286 276191331 /nfs/dbraw/zinc/19/13/31/276191331.db2.gz JPWZULNMERBOMO-HOTGVXAUSA-N 2 2 303.450 2.198 10 0 DEAELP CCO[C@@H]1C[C@@H]([NH2+]CC[NH+]2CCCCCC2)C12CCOCC2 ZINC000186226445 276473822 /nfs/dbraw/zinc/47/38/22/276473822.db2.gz AKSVURWGJZTNNH-IAGOWNOFSA-N 2 2 310.482 2.426 10 0 DEAELP CC1(C)C[N@H+](CC(=O)N2CCC[C@@H]3CCCC[C@@H]32)CC[C@@H]1[NH3+] ZINC000262532303 281230846 /nfs/dbraw/zinc/23/08/46/281230846.db2.gz PTXKPAHEOACVGE-JYJNAYRXSA-N 2 2 307.482 2.227 10 0 DEAELP CC1(C)C[N@@H+](CC(=O)N2CCC[C@@H]3CCCC[C@@H]32)CC[C@@H]1[NH3+] ZINC000262532303 281230849 /nfs/dbraw/zinc/23/08/49/281230849.db2.gz PTXKPAHEOACVGE-JYJNAYRXSA-N 2 2 307.482 2.227 10 0 DEAELP Cn1c[nH+]cc1CN(Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000261707362 303027199 /nfs/dbraw/zinc/02/71/99/303027199.db2.gz IMTXYFBONXQHHO-AWEZNQCLSA-N 2 2 317.462 2.021 10 0 DEAELP COC[C@@H](C)C[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000187645253 332979997 /nfs/dbraw/zinc/97/99/97/332979997.db2.gz NVDLCIRIFXJONR-KRWDZBQOSA-N 2 2 305.466 2.071 10 0 DEAELP c1ccc(COCCCC[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1 ZINC000422841483 534489576 /nfs/dbraw/zinc/48/95/76/534489576.db2.gz VYJUMELBNBLQRT-RBUKOAKNSA-N 2 2 318.461 2.340 10 0 DEAELP Cc1nc(NC[C@H]2C[N@@H+]3CCCC[C@H]3CO2)c2c([nH+]1)CCCC2 ZINC000302074983 534625212 /nfs/dbraw/zinc/62/52/12/534625212.db2.gz GOHUZKZEJGJXKA-GJZGRUSLSA-N 2 2 316.449 2.329 10 0 DEAELP Cc1nc(NC[C@H]2C[N@H+]3CCCC[C@H]3CO2)c2c([nH+]1)CCCC2 ZINC000302074983 534625218 /nfs/dbraw/zinc/62/52/18/534625218.db2.gz GOHUZKZEJGJXKA-GJZGRUSLSA-N 2 2 316.449 2.329 10 0 DEAELP C[C@H](c1ccccn1)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000157653798 526125722 /nfs/dbraw/zinc/12/57/22/526125722.db2.gz QFRGURQWOBMDCB-HRBLRVMOSA-N 2 2 314.477 2.385 10 0 DEAELP C[C@H](c1ccccn1)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000157653798 526125728 /nfs/dbraw/zinc/12/57/28/526125728.db2.gz QFRGURQWOBMDCB-HRBLRVMOSA-N 2 2 314.477 2.385 10 0 DEAELP c1cn(-c2ccc(C[N@@H+]3CC[C@@H](Oc4cccnc4)C3)cn2)c[nH+]1 ZINC000154705875 526524192 /nfs/dbraw/zinc/52/41/92/526524192.db2.gz NHIUHJDAYNIBNM-QGZVFWFLSA-N 2 2 321.384 2.316 10 0 DEAELP c1cn(-c2ccc(C[N@H+]3CC[C@@H](Oc4cccnc4)C3)cn2)c[nH+]1 ZINC000154705875 526524194 /nfs/dbraw/zinc/52/41/94/526524194.db2.gz NHIUHJDAYNIBNM-QGZVFWFLSA-N 2 2 321.384 2.316 10 0 DEAELP CCOc1ccccc1NC(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246490947 535521678 /nfs/dbraw/zinc/52/16/78/535521678.db2.gz ANHVNIWMLQAQCT-GJZGRUSLSA-N 2 2 319.449 2.438 10 0 DEAELP CCOc1ccccc1NC(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246490947 535521686 /nfs/dbraw/zinc/52/16/86/535521686.db2.gz ANHVNIWMLQAQCT-GJZGRUSLSA-N 2 2 319.449 2.438 10 0 DEAELP CCOc1ccccc1NC(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246490947 535521691 /nfs/dbraw/zinc/52/16/91/535521691.db2.gz ANHVNIWMLQAQCT-GJZGRUSLSA-N 2 2 319.449 2.438 10 0 DEAELP CCOc1ccccc1NC(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246490947 535521698 /nfs/dbraw/zinc/52/16/98/535521698.db2.gz ANHVNIWMLQAQCT-GJZGRUSLSA-N 2 2 319.449 2.438 10 0 DEAELP COC(=O)[C@H](C1CC1)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000359605972 536643890 /nfs/dbraw/zinc/64/38/90/536643890.db2.gz YJMPSWKNEQWVMO-AEFFLSMTSA-N 2 2 316.445 2.392 10 0 DEAELP COC(=O)[C@H](C1CC1)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000359605972 536643897 /nfs/dbraw/zinc/64/38/97/536643897.db2.gz YJMPSWKNEQWVMO-AEFFLSMTSA-N 2 2 316.445 2.392 10 0 DEAELP COC(=O)[C@H](C1CC1)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000359605972 536643901 /nfs/dbraw/zinc/64/39/01/536643901.db2.gz YJMPSWKNEQWVMO-AEFFLSMTSA-N 2 2 316.445 2.392 10 0 DEAELP COC(=O)[C@H](C1CC1)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000359605972 536643909 /nfs/dbraw/zinc/64/39/09/536643909.db2.gz YJMPSWKNEQWVMO-AEFFLSMTSA-N 2 2 316.445 2.392 10 0 DEAELP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000401944110 801859722 /nfs/dbraw/zinc/85/97/22/801859722.db2.gz QEEJGTUYLJXWID-IRXDYDNUSA-N 2 2 317.433 2.081 10 0 DEAELP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000401944110 801859729 /nfs/dbraw/zinc/85/97/29/801859729.db2.gz QEEJGTUYLJXWID-IRXDYDNUSA-N 2 2 317.433 2.081 10 0 DEAELP C[C@@H]1[C@@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CO[C@H]1C ZINC000405565022 802072537 /nfs/dbraw/zinc/07/25/37/802072537.db2.gz VBDYLLQEPHKUMY-DKKFBQAASA-N 2 2 318.461 2.291 10 0 DEAELP C[C@@H]1[C@@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CO[C@H]1C ZINC000405565022 802072544 /nfs/dbraw/zinc/07/25/44/802072544.db2.gz VBDYLLQEPHKUMY-DKKFBQAASA-N 2 2 318.461 2.291 10 0 DEAELP C[N@H+](Cc1ccc(N)nn1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000703981546 1086569167 /nfs/dbraw/zinc/56/91/67/1086569167.db2.gz QXFAJDGKEYVVRA-UHFFFAOYSA-N 2 2 311.433 2.155 10 0 DEAELP C[N@@H+](Cc1ccc(N)nn1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000703981546 1086569174 /nfs/dbraw/zinc/56/91/74/1086569174.db2.gz QXFAJDGKEYVVRA-UHFFFAOYSA-N 2 2 311.433 2.155 10 0 DEAELP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@@H]2CCCn3cc[nH+]c32)C1 ZINC000080553508 192167629 /nfs/dbraw/zinc/16/76/29/192167629.db2.gz JBWRTLMCYFLZTJ-BZUAXINKSA-N 2 2 318.465 2.245 10 0 DEAELP C[NH2+][C@@H](Cc1cc[nH+]c(N)c1)c1ncccc1Br ZINC000140386487 186026689 /nfs/dbraw/zinc/02/66/89/186026689.db2.gz RGZQKRYYKZNAIN-NSHDSACASA-N 2 2 307.195 2.325 10 0 DEAELP Cc1nc(N2CCC[C@@H]2C[NH+](C)C)c(Br)c(C)[nH+]1 ZINC000323190582 539905601 /nfs/dbraw/zinc/90/56/01/539905601.db2.gz MGYDWFGFGMXXTF-LLVKDONJSA-N 2 2 313.243 2.386 10 0 DEAELP CCC(CC)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000073431378 191316745 /nfs/dbraw/zinc/31/67/45/191316745.db2.gz IYKAKJIELKESDB-UHFFFAOYSA-N 2 2 324.513 2.425 10 0 DEAELP CCc1ccc(C[NH+]2CCN(C(=O)C[N@H+](C)C(C)C)CC2)s1 ZINC000128675142 355830295 /nfs/dbraw/zinc/83/02/95/355830295.db2.gz PDMPJYBYKMGISU-UHFFFAOYSA-N 2 2 323.506 2.295 10 0 DEAELP CCc1ccc(C[NH+]2CCN(C(=O)C[N@@H+](C)C(C)C)CC2)s1 ZINC000128675142 355830301 /nfs/dbraw/zinc/83/03/01/355830301.db2.gz PDMPJYBYKMGISU-UHFFFAOYSA-N 2 2 323.506 2.295 10 0 DEAELP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400394479 283156767 /nfs/dbraw/zinc/15/67/67/283156767.db2.gz JBZZOUQNXOVYLT-RRFJBIMHSA-N 2 2 323.481 2.458 10 0 DEAELP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400394479 283156769 /nfs/dbraw/zinc/15/67/69/283156769.db2.gz JBZZOUQNXOVYLT-RRFJBIMHSA-N 2 2 323.481 2.458 10 0 DEAELP CCCCOC[C@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000393926507 356713461 /nfs/dbraw/zinc/71/34/61/356713461.db2.gz HEZPJYOHQDJBCG-BHIYHBOVSA-N 2 2 320.477 2.417 10 0 DEAELP CCCCOC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000393926507 356713463 /nfs/dbraw/zinc/71/34/63/356713463.db2.gz HEZPJYOHQDJBCG-BHIYHBOVSA-N 2 2 320.477 2.417 10 0 DEAELP CC[NH2+][C@H](CCCS(C)(=O)=O)C1([NH+](C)C)CCC(C)CC1 ZINC000091649432 193085121 /nfs/dbraw/zinc/08/51/21/193085121.db2.gz FQKWDNQPHLOCCC-HWOWSKLDSA-N 2 2 318.527 2.300 10 0 DEAELP CC[NH2+][C@@H](CCCS(=O)(=O)CC)C1([NH+](C)C)CCCCC1 ZINC000091647720 193085354 /nfs/dbraw/zinc/08/53/54/193085354.db2.gz UAOYBHVYOYVKPM-HNNXBMFYSA-N 2 2 318.527 2.444 10 0 DEAELP CC[NH2+][C@H](CCCS(C)(=O)=O)C1([NH+]2CCCC2)CCCC1 ZINC000091641220 193082538 /nfs/dbraw/zinc/08/25/38/193082538.db2.gz PPNCNYUTDWZYQS-OAHLLOKOSA-N 2 2 316.511 2.198 10 0 DEAELP COc1c(C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c(C)nn1C ZINC000091960618 193131927 /nfs/dbraw/zinc/13/19/27/193131927.db2.gz NDUYSAGCWLZMHR-IUODEOHRSA-N 2 2 303.410 2.017 10 0 DEAELP COc1c(C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c(C)nn1C ZINC000091960618 193131929 /nfs/dbraw/zinc/13/19/29/193131929.db2.gz NDUYSAGCWLZMHR-IUODEOHRSA-N 2 2 303.410 2.017 10 0 DEAELP CC[C@H]([NH3+])Cc1ccc(OC[C@H]2C[N@H+](C)CCO2)c(Cl)c1 ZINC000092060725 193149305 /nfs/dbraw/zinc/14/93/05/193149305.db2.gz KWILNCAYEHEDSL-UONOGXRCSA-N 2 2 312.841 2.329 10 0 DEAELP CC[C@H]([NH3+])Cc1ccc(OC[C@H]2C[N@@H+](C)CCO2)c(Cl)c1 ZINC000092060725 193149307 /nfs/dbraw/zinc/14/93/07/193149307.db2.gz KWILNCAYEHEDSL-UONOGXRCSA-N 2 2 312.841 2.329 10 0 DEAELP C[N@@H+]1CCO[C@@H](COc2c(Cl)cc(Cl)cc2C[NH3+])C1 ZINC000092054306 193149724 /nfs/dbraw/zinc/14/97/24/193149724.db2.gz GYOCJCTZGRQMKR-LLVKDONJSA-N 2 2 305.205 2.162 10 0 DEAELP C[N@H+]1CCO[C@@H](COc2c(Cl)cc(Cl)cc2C[NH3+])C1 ZINC000092054306 193149725 /nfs/dbraw/zinc/14/97/25/193149725.db2.gz GYOCJCTZGRQMKR-LLVKDONJSA-N 2 2 305.205 2.162 10 0 DEAELP CCN(Cc1ccccc1)C(=O)C[N@@H+]1CCCCC[C@H]([NH3+])C1 ZINC000631831877 368409527 /nfs/dbraw/zinc/40/95/27/368409527.db2.gz RQRWBDCZAWUGGU-KRWDZBQOSA-N 2 2 303.450 2.238 10 0 DEAELP CCN(Cc1ccccc1)C(=O)C[N@H+]1CCCCC[C@H]([NH3+])C1 ZINC000631831877 368409533 /nfs/dbraw/zinc/40/95/33/368409533.db2.gz RQRWBDCZAWUGGU-KRWDZBQOSA-N 2 2 303.450 2.238 10 0 DEAELP CCc1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)o1 ZINC000093147421 193207894 /nfs/dbraw/zinc/20/78/94/193207894.db2.gz OVKAZPMNGLESNY-INIZCTEOSA-N 2 2 305.466 2.444 10 0 DEAELP CCc1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)o1 ZINC000093147421 193207896 /nfs/dbraw/zinc/20/78/96/193207896.db2.gz OVKAZPMNGLESNY-INIZCTEOSA-N 2 2 305.466 2.444 10 0 DEAELP C[NH2+][C@H]([C@H]1CCC[C@H](S(C)(=O)=O)C1)C1([NH+](C)C)CCCC1 ZINC000094642932 193388815 /nfs/dbraw/zinc/38/88/15/193388815.db2.gz LQAMEEPWKDPYJP-SOUVJXGZSA-N 2 2 316.511 2.052 10 0 DEAELP Cn1cc[nH+]c1[C@H](NC(=O)CC[NH+](C)C)c1cccc(Cl)c1 ZINC000041536409 183199802 /nfs/dbraw/zinc/19/98/02/183199802.db2.gz CZOIXMAPZRUGIB-OAHLLOKOSA-N 2 2 320.824 2.231 10 0 DEAELP CCC[N@H+](CCO)[C@H](C[NH3+])c1cccc(Br)c1 ZINC000043021219 183329839 /nfs/dbraw/zinc/32/98/39/183329839.db2.gz TZHOMOZTRHWJJC-CYBMUJFWSA-N 2 2 301.228 2.153 10 0 DEAELP CCC[N@@H+](CCO)[C@H](C[NH3+])c1cccc(Br)c1 ZINC000043021219 183329842 /nfs/dbraw/zinc/32/98/42/183329842.db2.gz TZHOMOZTRHWJJC-CYBMUJFWSA-N 2 2 301.228 2.153 10 0 DEAELP CC[C@@H]([NH3+])[C@H](c1sccc1C)[N@@H+]1CCCN(C(C)=O)CC1 ZINC000043248985 183346545 /nfs/dbraw/zinc/34/65/45/183346545.db2.gz FBBPWCASFJCEBX-HUUCEWRRSA-N 2 2 309.479 2.389 10 0 DEAELP CC[C@@H]([NH3+])[C@H](c1sccc1C)[N@H+]1CCCN(C(C)=O)CC1 ZINC000043248985 183346548 /nfs/dbraw/zinc/34/65/48/183346548.db2.gz FBBPWCASFJCEBX-HUUCEWRRSA-N 2 2 309.479 2.389 10 0 DEAELP COCCC[N@H+](CCOC)[C@H](c1sccc1C)[C@@H](C)[NH3+] ZINC000043248715 183347130 /nfs/dbraw/zinc/34/71/30/183347130.db2.gz OPCVJQYYCOVBGA-KGLIPLIRSA-N 2 2 300.468 2.430 10 0 DEAELP COCCC[N@@H+](CCOC)[C@H](c1sccc1C)[C@@H](C)[NH3+] ZINC000043248715 183347132 /nfs/dbraw/zinc/34/71/32/183347132.db2.gz OPCVJQYYCOVBGA-KGLIPLIRSA-N 2 2 300.468 2.430 10 0 DEAELP C[NH+](C)CC(C)(C)CNc1[nH+]c2c(cc1C(N)=S)CCC2 ZINC000043408295 183360015 /nfs/dbraw/zinc/36/00/15/183360015.db2.gz UKCBKIPGGLIRSP-UHFFFAOYSA-N 2 2 306.479 2.204 10 0 DEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cn3cccnc3n2)C1 ZINC000105897196 194163006 /nfs/dbraw/zinc/16/30/06/194163006.db2.gz FSEQTWUFAKTBFN-HNNXBMFYSA-N 2 2 310.405 2.325 10 0 DEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cn3cccnc3n2)C1 ZINC000105897196 194163008 /nfs/dbraw/zinc/16/30/08/194163008.db2.gz FSEQTWUFAKTBFN-HNNXBMFYSA-N 2 2 310.405 2.325 10 0 DEAELP CCCc1nc(N2CCn3cc[nH+]c3C2)sc1C[NH2+]CC ZINC000062328064 184230850 /nfs/dbraw/zinc/23/08/50/184230850.db2.gz HQPCXODVQKKNCH-UHFFFAOYSA-N 2 2 305.451 2.422 10 0 DEAELP CC[NH2+][C@@H]1CCCc2nc(N(C)Cc3[nH+]ccn3C)sc21 ZINC000062327834 184230921 /nfs/dbraw/zinc/23/09/21/184230921.db2.gz ICYBFMBBQXAQEO-LLVKDONJSA-N 2 2 305.451 2.500 10 0 DEAELP CC[NH+](CC)[C@@H](C)CNC(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000069401670 184512268 /nfs/dbraw/zinc/51/22/68/184512268.db2.gz CQPRZRBAUZMFSO-AWEZNQCLSA-N 2 2 317.437 2.172 10 0 DEAELP CN1CCC[C@@H]([N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)C1=O ZINC000538712660 285052117 /nfs/dbraw/zinc/05/21/17/285052117.db2.gz KQAYYIBTWLQRNY-IAGOWNOFSA-N 2 2 307.482 2.195 10 0 DEAELP CN1CCC[C@@H]([N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)C1=O ZINC000538712660 285052118 /nfs/dbraw/zinc/05/21/18/285052118.db2.gz KQAYYIBTWLQRNY-IAGOWNOFSA-N 2 2 307.482 2.195 10 0 DEAELP CCOCC[N@@H+]1CCN(Cc2c[nH+]c3ccc(C)cn23)C[C@@H]1C ZINC000120906927 195261947 /nfs/dbraw/zinc/26/19/47/195261947.db2.gz LYWCJANRFROUIX-INIZCTEOSA-N 2 2 316.449 2.185 10 0 DEAELP CCOCC[N@H+]1CCN(Cc2c[nH+]c3ccc(C)cn23)C[C@@H]1C ZINC000120906927 195261949 /nfs/dbraw/zinc/26/19/49/195261949.db2.gz LYWCJANRFROUIX-INIZCTEOSA-N 2 2 316.449 2.185 10 0 DEAELP c1csc(C[NH+]2CC[C@H]3C[N@H+](CC4CC4)CCO[C@H]3C2)n1 ZINC000253590393 257105452 /nfs/dbraw/zinc/10/54/52/257105452.db2.gz AUVYRRRHWXPHKB-GJZGRUSLSA-N 2 2 307.463 2.076 10 0 DEAELP c1csc(C[NH+]2CC[C@H]3C[N@@H+](CC4CC4)CCO[C@H]3C2)n1 ZINC000253590393 257105454 /nfs/dbraw/zinc/10/54/54/257105454.db2.gz AUVYRRRHWXPHKB-GJZGRUSLSA-N 2 2 307.463 2.076 10 0 DEAELP c1csc(C[N@@H+]2CC[C@H]3C[NH+](CC4CC4)CCO[C@H]3C2)n1 ZINC000253590393 257105455 /nfs/dbraw/zinc/10/54/55/257105455.db2.gz AUVYRRRHWXPHKB-GJZGRUSLSA-N 2 2 307.463 2.076 10 0 DEAELP c1csc(C[N@H+]2CC[C@H]3C[NH+](CC4CC4)CCO[C@H]3C2)n1 ZINC000253590393 257105457 /nfs/dbraw/zinc/10/54/57/257105457.db2.gz AUVYRRRHWXPHKB-GJZGRUSLSA-N 2 2 307.463 2.076 10 0 DEAELP COc1nccnc1C[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000294688920 533278319 /nfs/dbraw/zinc/27/83/19/533278319.db2.gz DOSBWGILTSLAOJ-AWEZNQCLSA-N 2 2 313.405 2.123 10 0 DEAELP COc1nccnc1C[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000294688920 533278320 /nfs/dbraw/zinc/27/83/20/533278320.db2.gz DOSBWGILTSLAOJ-AWEZNQCLSA-N 2 2 313.405 2.123 10 0 DEAELP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1 ZINC000193628824 145087458 /nfs/dbraw/zinc/08/74/58/145087458.db2.gz DAWMAXAYSAQURO-OAGGEKHMSA-N 2 2 301.434 2.124 10 0 DEAELP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1 ZINC000193628824 145087461 /nfs/dbraw/zinc/08/74/61/145087461.db2.gz DAWMAXAYSAQURO-OAGGEKHMSA-N 2 2 301.434 2.124 10 0 DEAELP Cc1ccc(C)c(NC(=O)[C@@H](C)[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c1 ZINC000193628824 145087463 /nfs/dbraw/zinc/08/74/63/145087463.db2.gz DAWMAXAYSAQURO-OAGGEKHMSA-N 2 2 301.434 2.124 10 0 DEAELP Cc1ccc(C)c(NC(=O)[C@@H](C)[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c1 ZINC000193628824 145087465 /nfs/dbraw/zinc/08/74/65/145087465.db2.gz DAWMAXAYSAQURO-OAGGEKHMSA-N 2 2 301.434 2.124 10 0 DEAELP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)Nc3cc(F)cc(F)c3)CC[C@H]21 ZINC000247974722 145146881 /nfs/dbraw/zinc/14/68/81/145146881.db2.gz HQDQXQKIWGJZEP-BLLLJJGKSA-N 2 2 323.387 2.319 10 0 DEAELP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)Nc3cc(F)cc(F)c3)CC[C@H]21 ZINC000247974722 145146882 /nfs/dbraw/zinc/14/68/82/145146882.db2.gz HQDQXQKIWGJZEP-BLLLJJGKSA-N 2 2 323.387 2.319 10 0 DEAELP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)Nc3cc(F)cc(F)c3)CC[C@H]21 ZINC000247974722 145146883 /nfs/dbraw/zinc/14/68/83/145146883.db2.gz HQDQXQKIWGJZEP-BLLLJJGKSA-N 2 2 323.387 2.319 10 0 DEAELP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)Nc3cc(F)cc(F)c3)CC[C@H]21 ZINC000247974722 145146884 /nfs/dbraw/zinc/14/68/84/145146884.db2.gz HQDQXQKIWGJZEP-BLLLJJGKSA-N 2 2 323.387 2.319 10 0 DEAELP C[N@@H+]1CCC[C@H]2C[NH+](Cc3nnc(-c4ccco4)o3)CC[C@H]21 ZINC000248132870 145148454 /nfs/dbraw/zinc/14/84/54/145148454.db2.gz OSCKUOPCILOECM-QWHCGFSZSA-N 2 2 302.378 2.246 10 0 DEAELP C[N@H+]1CCC[C@H]2C[NH+](Cc3nnc(-c4ccco4)o3)CC[C@H]21 ZINC000248132870 145148456 /nfs/dbraw/zinc/14/84/56/145148456.db2.gz OSCKUOPCILOECM-QWHCGFSZSA-N 2 2 302.378 2.246 10 0 DEAELP C[NH+]1CCC[C@H]2C[N@H+](Cc3nnc(-c4ccco4)o3)CC[C@H]21 ZINC000248132870 145148458 /nfs/dbraw/zinc/14/84/58/145148458.db2.gz OSCKUOPCILOECM-QWHCGFSZSA-N 2 2 302.378 2.246 10 0 DEAELP C[NH+]1CCC[C@H]2C[N@@H+](Cc3nnc(-c4ccco4)o3)CC[C@H]21 ZINC000248132870 145148459 /nfs/dbraw/zinc/14/84/59/145148459.db2.gz OSCKUOPCILOECM-QWHCGFSZSA-N 2 2 302.378 2.246 10 0 DEAELP C[C@H](C(=O)N1CCc2ccccc21)[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261850173 145232953 /nfs/dbraw/zinc/23/29/53/145232953.db2.gz RLGWEPXXEYJIMH-CJNGLKHVSA-N 2 2 301.434 2.023 10 0 DEAELP C[C@H](C(=O)N1CCc2ccccc21)[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261850173 145232954 /nfs/dbraw/zinc/23/29/54/145232954.db2.gz RLGWEPXXEYJIMH-CJNGLKHVSA-N 2 2 301.434 2.023 10 0 DEAELP Cc1ccccc1C[C@H](C)NC(=O)C[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261875546 145235964 /nfs/dbraw/zinc/23/59/64/145235964.db2.gz UBTUEXJYGQYXTF-RDJZCZTQSA-N 2 2 317.477 2.101 10 0 DEAELP Cc1ccccc1C[C@H](C)NC(=O)C[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261875546 145235966 /nfs/dbraw/zinc/23/59/66/145235966.db2.gz UBTUEXJYGQYXTF-RDJZCZTQSA-N 2 2 317.477 2.101 10 0 DEAELP C[C@H](C(=O)N[C@@H](C)c1ccccc1)[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261872808 145236460 /nfs/dbraw/zinc/23/64/60/145236460.db2.gz TWLNUFRZNWJSLG-LZWOXQAQSA-N 2 2 303.450 2.312 10 0 DEAELP C[C@H](C(=O)N[C@@H](C)c1ccccc1)[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261872808 145236461 /nfs/dbraw/zinc/23/64/61/145236461.db2.gz TWLNUFRZNWJSLG-LZWOXQAQSA-N 2 2 303.450 2.312 10 0 DEAELP Cc1ccccc1CNC(=O)[C@H](C)[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261872753 145236549 /nfs/dbraw/zinc/23/65/49/145236549.db2.gz TVBGQKRLOKKGTH-GOEBONIOSA-N 2 2 303.450 2.059 10 0 DEAELP Cc1ccccc1CNC(=O)[C@H](C)[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261872753 145236550 /nfs/dbraw/zinc/23/65/50/145236550.db2.gz TVBGQKRLOKKGTH-GOEBONIOSA-N 2 2 303.450 2.059 10 0 DEAELP C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000262127099 145264788 /nfs/dbraw/zinc/26/47/88/145264788.db2.gz XVSNBTYYRJGTDZ-MAUKXSAKSA-N 2 2 303.450 2.137 10 0 DEAELP C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000262127099 145264789 /nfs/dbraw/zinc/26/47/89/145264789.db2.gz XVSNBTYYRJGTDZ-MAUKXSAKSA-N 2 2 303.450 2.137 10 0 DEAELP COc1cccc(CC[NH2+]C2CCN(c3cccc[nH+]3)CC2)n1 ZINC000358764761 147199915 /nfs/dbraw/zinc/19/99/15/147199915.db2.gz CSOASSVOVSUVEE-UHFFFAOYSA-N 2 2 312.417 2.286 10 0 DEAELP CC(C)Cn1cc[nH+]c1CNC(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000073774381 401721351 /nfs/dbraw/zinc/72/13/51/401721351.db2.gz XDUNTSBWQQAAQB-OAHLLOKOSA-N 2 2 321.469 2.070 10 0 DEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000085362097 401914256 /nfs/dbraw/zinc/91/42/56/401914256.db2.gz GVFWJLXZYQTYMI-CQSZACIVSA-N 2 2 323.485 2.315 10 0 DEAELP CC(C)NC(=O)CC[NH2+]C(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000091075158 401991847 /nfs/dbraw/zinc/99/18/47/401991847.db2.gz LHBSKENEIKDQEJ-UHFFFAOYSA-N 2 2 305.466 2.401 10 0 DEAELP CC(C)NC(=O)CC[NH2+]C(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000091075158 401991849 /nfs/dbraw/zinc/99/18/49/401991849.db2.gz LHBSKENEIKDQEJ-UHFFFAOYSA-N 2 2 305.466 2.401 10 0 DEAELP COc1ccc(OC)c([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000151255293 402026586 /nfs/dbraw/zinc/02/65/86/402026586.db2.gz FIWMOQDZZCEQQW-LSDHHAIUSA-N 2 2 322.449 2.201 10 0 DEAELP O[C@@H](C[NH2+][C@@H]1CSCCc2ccccc21)C[NH+]1CCCCC1 ZINC000151324121 402029879 /nfs/dbraw/zinc/02/98/79/402029879.db2.gz UFSQYTIXDUSHPL-FUHWJXTLSA-N 2 2 320.502 2.453 10 0 DEAELP Cn1cc[nH+]c1-c1cccc(NC(=O)N2CC[C@H]([NH+](C)C)C2)c1 ZINC000150867221 402001147 /nfs/dbraw/zinc/00/11/47/402001147.db2.gz OEYBLGMEHQIVSI-HNNXBMFYSA-N 2 2 313.405 2.255 10 0 DEAELP CCOCCN1CC[N@H+](CCCCn2cc[nH+]c2C)C[C@@H]1CC ZINC000120771799 402001690 /nfs/dbraw/zinc/00/16/90/402001690.db2.gz MQWNIEMHKREFQP-SFHVURJKSA-N 2 2 322.497 2.404 10 0 DEAELP CCOCCN1CC[N@@H+](CCCCn2cc[nH+]c2C)C[C@@H]1CC ZINC000120771799 402001692 /nfs/dbraw/zinc/00/16/92/402001692.db2.gz MQWNIEMHKREFQP-SFHVURJKSA-N 2 2 322.497 2.404 10 0 DEAELP CCOCC[N@@H+]1CCN(CCCCn2cc[nH+]c2C)C[C@@H]1CC ZINC000120771799 402001694 /nfs/dbraw/zinc/00/16/94/402001694.db2.gz MQWNIEMHKREFQP-SFHVURJKSA-N 2 2 322.497 2.404 10 0 DEAELP CCOCC[N@H+]1CCN(CCCCn2cc[nH+]c2C)C[C@@H]1CC ZINC000120771799 402001695 /nfs/dbraw/zinc/00/16/95/402001695.db2.gz MQWNIEMHKREFQP-SFHVURJKSA-N 2 2 322.497 2.404 10 0 DEAELP c1cn(-c2ccc(C[NH+]3CCC(n4cncn4)CC3)cc2)c[nH+]1 ZINC000101548167 402147311 /nfs/dbraw/zinc/14/73/11/402147311.db2.gz VKWNPCZXMHZCGG-UHFFFAOYSA-N 2 2 308.389 2.301 10 0 DEAELP COc1cc(F)ccc1N1CC[NH+](CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000163026027 402439949 /nfs/dbraw/zinc/43/99/49/402439949.db2.gz PVUJIYMISYTWLU-MRXNPFEDSA-N 2 2 321.440 2.441 10 0 DEAELP COc1cc(F)ccc1N1CC[NH+](CC[C@H]2CCC[N@H+]2C)CC1 ZINC000163026027 402439950 /nfs/dbraw/zinc/43/99/50/402439950.db2.gz PVUJIYMISYTWLU-MRXNPFEDSA-N 2 2 321.440 2.441 10 0 DEAELP COc1cccc([C@H](C)[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000246982346 402552138 /nfs/dbraw/zinc/55/21/38/402552138.db2.gz JRFGCHLHSHTJFO-HOTGVXAUSA-N 2 2 304.434 2.410 10 0 DEAELP COc1cccc([C@H](C)[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000246982346 402552140 /nfs/dbraw/zinc/55/21/40/402552140.db2.gz JRFGCHLHSHTJFO-HOTGVXAUSA-N 2 2 304.434 2.410 10 0 DEAELP C[C@@H]([NH2+]CC(=O)N(C)CC1CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189911296 402566279 /nfs/dbraw/zinc/56/62/79/402566279.db2.gz ZWXITNHJQKWHRM-CQSZACIVSA-N 2 2 312.417 2.391 10 0 DEAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CC2=CCCOC2)C1 ZINC000190473298 402603349 /nfs/dbraw/zinc/60/33/49/402603349.db2.gz JQCBCXFIHKTGPA-KRWDZBQOSA-N 2 2 301.434 2.182 10 0 DEAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CC2=CCCOC2)C1 ZINC000190473298 402603352 /nfs/dbraw/zinc/60/33/52/402603352.db2.gz JQCBCXFIHKTGPA-KRWDZBQOSA-N 2 2 301.434 2.182 10 0 DEAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](CC2=CCCOC2)C1 ZINC000190473298 402603354 /nfs/dbraw/zinc/60/33/54/402603354.db2.gz JQCBCXFIHKTGPA-KRWDZBQOSA-N 2 2 301.434 2.182 10 0 DEAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](CC2=CCCOC2)C1 ZINC000190473298 402603356 /nfs/dbraw/zinc/60/33/56/402603356.db2.gz JQCBCXFIHKTGPA-KRWDZBQOSA-N 2 2 301.434 2.182 10 0 DEAELP COCCN(C)c1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cn1 ZINC000191399039 402666880 /nfs/dbraw/zinc/66/68/80/402666880.db2.gz RLRRBJLQBLGETH-DOTOQJQBSA-N 2 2 320.481 2.079 10 0 DEAELP COCCN(C)c1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cn1 ZINC000191399039 402666882 /nfs/dbraw/zinc/66/68/82/402666882.db2.gz RLRRBJLQBLGETH-DOTOQJQBSA-N 2 2 320.481 2.079 10 0 DEAELP COCCN(C)c1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cn1 ZINC000191399039 402666885 /nfs/dbraw/zinc/66/68/85/402666885.db2.gz RLRRBJLQBLGETH-DOTOQJQBSA-N 2 2 320.481 2.079 10 0 DEAELP COCCN(C)c1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cn1 ZINC000191399039 402666889 /nfs/dbraw/zinc/66/68/89/402666889.db2.gz RLRRBJLQBLGETH-DOTOQJQBSA-N 2 2 320.481 2.079 10 0 DEAELP C[C@@H]1CCCN(c2cc(N3CC[N@@H+]4CCCC[C@H]4C3)nc[nH+]2)C1 ZINC000301275289 403609507 /nfs/dbraw/zinc/60/95/07/403609507.db2.gz YUEHQACCCJODGN-CVEARBPZSA-N 2 2 315.465 2.387 10 0 DEAELP C[C@@H]1CCCN(c2cc(N3CC[N@H+]4CCCC[C@H]4C3)nc[nH+]2)C1 ZINC000301275289 403609511 /nfs/dbraw/zinc/60/95/11/403609511.db2.gz YUEHQACCCJODGN-CVEARBPZSA-N 2 2 315.465 2.387 10 0 DEAELP CCC[C@H](O)C[N@@H+]1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000295948820 404024321 /nfs/dbraw/zinc/02/43/21/404024321.db2.gz LQDKVSRUVDVUGG-HOTGVXAUSA-N 2 2 319.449 2.296 10 0 DEAELP CCC[C@H](O)C[N@H+]1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000295948820 404024328 /nfs/dbraw/zinc/02/43/28/404024328.db2.gz LQDKVSRUVDVUGG-HOTGVXAUSA-N 2 2 319.449 2.296 10 0 DEAELP COc1cccc2c1[nH+]cc(C)c2N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000365293693 404604020 /nfs/dbraw/zinc/60/40/20/404604020.db2.gz UZNXPJVTYYYVMY-AWEZNQCLSA-N 2 2 313.401 2.073 10 0 DEAELP COc1cccc2c1[nH+]cc(C)c2N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000365293693 404604023 /nfs/dbraw/zinc/60/40/23/404604023.db2.gz UZNXPJVTYYYVMY-AWEZNQCLSA-N 2 2 313.401 2.073 10 0 DEAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H]3CCCCC3(C)C)C2)CC1 ZINC000366051639 404749317 /nfs/dbraw/zinc/74/93/17/404749317.db2.gz IYSPUJVPAWBEEX-WBVHZDCISA-N 2 2 321.509 2.488 10 0 DEAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H]3CCCCC3(C)C)C2)CC1 ZINC000366051639 404749319 /nfs/dbraw/zinc/74/93/19/404749319.db2.gz IYSPUJVPAWBEEX-WBVHZDCISA-N 2 2 321.509 2.488 10 0 DEAELP c1cncc(C[NH2+]CCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000414857270 404749969 /nfs/dbraw/zinc/74/99/69/404749969.db2.gz CHYDDTBYXMVUER-KURKYZTESA-N 3 2 302.466 2.072 10 0 DEAELP c1ccc(CC[NH+]2CCC([NH2+]CCC[NH+]3CCC3)CC2)cc1 ZINC000568236278 292324580 /nfs/dbraw/zinc/32/45/80/292324580.db2.gz GMDIVQCWYGRXNB-UHFFFAOYSA-N 3 2 301.478 2.379 10 0 DEAELP O=C1[C@H]([N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)CCN1C1CC1 ZINC000361400145 405056867 /nfs/dbraw/zinc/05/68/67/405056867.db2.gz MBDYYGXKWZHHAB-SJLPKXTDSA-N 2 2 319.493 2.338 10 0 DEAELP O=C1[C@H]([N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)CCN1C1CC1 ZINC000361400145 405056869 /nfs/dbraw/zinc/05/68/69/405056869.db2.gz MBDYYGXKWZHHAB-SJLPKXTDSA-N 2 2 319.493 2.338 10 0 DEAELP c1[nH+]c([C@H]2CCC[N@@H+](CC[C@@H]3CC[NH2+]C3)C2)n2c1CCCC2 ZINC000420378953 405338217 /nfs/dbraw/zinc/33/82/17/405338217.db2.gz UURKKIMUMUCYKZ-HOTGVXAUSA-N 3 2 302.466 2.398 10 0 DEAELP c1[nH+]c([C@H]2CCC[N@H+](CC[C@@H]3CC[NH2+]C3)C2)n2c1CCCC2 ZINC000420378953 405338219 /nfs/dbraw/zinc/33/82/19/405338219.db2.gz UURKKIMUMUCYKZ-HOTGVXAUSA-N 3 2 302.466 2.398 10 0 DEAELP CCn1nncc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000459416343 405895180 /nfs/dbraw/zinc/89/51/80/405895180.db2.gz XGURSVTVEQOMIF-CRAIPNDOSA-N 2 2 313.449 2.298 10 0 DEAELP CCn1nncc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000459416343 405895184 /nfs/dbraw/zinc/89/51/84/405895184.db2.gz XGURSVTVEQOMIF-CRAIPNDOSA-N 2 2 313.449 2.298 10 0 DEAELP COc1cccc2c1cc[nH+]c2N1CCO[C@H](C[NH+](C)C)C1 ZINC000450321928 405833762 /nfs/dbraw/zinc/83/37/62/405833762.db2.gz WCBCFJYHOKJAIB-CYBMUJFWSA-N 2 2 301.390 2.010 10 0 DEAELP c1c2c(cc3c1OCCC[C@@H]3[NH2+]C[C@@H]1C[NH2+]CCO1)CCCC2 ZINC000423531130 405845525 /nfs/dbraw/zinc/84/55/25/405845525.db2.gz XOYDROQNQXJOHJ-WMZOPIPTSA-N 2 2 316.445 2.357 10 0 DEAELP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2c(Br)cnn2C)C1 ZINC000486969739 406194980 /nfs/dbraw/zinc/19/49/80/406194980.db2.gz QAWURSQRMAHSPM-NSHDSACASA-N 2 2 315.259 2.004 10 0 DEAELP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2c(Br)cnn2C)C1 ZINC000486969739 406194986 /nfs/dbraw/zinc/19/49/86/406194986.db2.gz QAWURSQRMAHSPM-NSHDSACASA-N 2 2 315.259 2.004 10 0 DEAELP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N(C)CCC[NH+](C)C)c1 ZINC000537215499 406285986 /nfs/dbraw/zinc/28/59/86/406285986.db2.gz IQNWLTHEYZLJCI-UHFFFAOYSA-N 2 2 300.406 2.204 10 0 DEAELP COCC[NH2+]C[C@H](C)[NH2+]Cc1cc(C)cc(Br)c1 ZINC000130907677 196121740 /nfs/dbraw/zinc/12/17/40/196121740.db2.gz WGNXJYAGPKACKQ-LBPRGKRZSA-N 2 2 315.255 2.472 10 0 DEAELP CC(C)Cn1cc[nH+]c1CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000131000921 196130844 /nfs/dbraw/zinc/13/08/44/196130844.db2.gz LKHOZZMYWYLBPO-QGZVFWFLSA-N 2 2 314.433 2.458 10 0 DEAELP COC(=O)[C@@H]1C[C@@H](c2ccccc2)C[N@H+](CCn2cc[nH+]c2)C1 ZINC000132759645 196281230 /nfs/dbraw/zinc/28/12/30/196281230.db2.gz ZHMFCFYZPFOLMN-IAGOWNOFSA-N 2 2 313.401 2.162 10 0 DEAELP COC(=O)[C@@H]1C[C@@H](c2ccccc2)C[N@@H+](CCn2cc[nH+]c2)C1 ZINC000132759645 196281231 /nfs/dbraw/zinc/28/12/31/196281231.db2.gz ZHMFCFYZPFOLMN-IAGOWNOFSA-N 2 2 313.401 2.162 10 0 DEAELP C[NH+](C)C1CC[NH+](CCc2nc(-c3ccccc3)no2)CC1 ZINC000132968716 196299959 /nfs/dbraw/zinc/29/99/59/196299959.db2.gz HGVUAUUUAWIGTM-UHFFFAOYSA-N 2 2 300.406 2.305 10 0 DEAELP C[C@H]([NH2+]C1CCS(=O)(=O)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000291104673 222141232 /nfs/dbraw/zinc/14/12/32/222141232.db2.gz JSKUWEMZIPPUAH-ZDUSSCGKSA-N 2 2 319.430 2.100 10 0 DEAELP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH2+][C@H]3CCC[NH2+]CC3)C2)cc1 ZINC000390619066 269098113 /nfs/dbraw/zinc/09/81/13/269098113.db2.gz YZNGCNAMQAKGEA-OALUTQOASA-N 3 2 317.477 2.009 10 0 DEAELP c1ccc(C[N@H+]2CCCO[C@@H](C[NH2+][C@H]3CCC[NH2+]CC3)C2)cc1 ZINC000390619066 269098114 /nfs/dbraw/zinc/09/81/14/269098114.db2.gz YZNGCNAMQAKGEA-OALUTQOASA-N 3 2 317.477 2.009 10 0 DEAELP C[C@H](C(=O)N1CCCc2ccccc21)[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261711418 298045940 /nfs/dbraw/zinc/04/59/40/298045940.db2.gz MMXWUDPTUZIXTQ-PBHICJAKSA-N 2 2 315.461 2.414 10 0 DEAELP C[C@H](C(=O)N1CCCc2ccccc21)[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261711418 298045942 /nfs/dbraw/zinc/04/59/42/298045942.db2.gz MMXWUDPTUZIXTQ-PBHICJAKSA-N 2 2 315.461 2.414 10 0 DEAELP Brc1ccn2cc(C[NH2+]CCC[NH+]3CCC3)nc2c1 ZINC000576957989 326332901 /nfs/dbraw/zinc/33/29/01/326332901.db2.gz VHYLLDSCQMIEAP-UHFFFAOYSA-N 2 2 323.238 2.282 10 0 DEAELP CCCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000105897268 520648642 /nfs/dbraw/zinc/64/86/42/520648642.db2.gz LCJLKVIEKQWQAT-CABCVRRESA-N 2 2 306.454 2.387 10 0 DEAELP CCCCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000105897268 520648649 /nfs/dbraw/zinc/64/86/49/520648649.db2.gz LCJLKVIEKQWQAT-CABCVRRESA-N 2 2 306.454 2.387 10 0 DEAELP CC1(C)C[N@H+](CC(=O)N[C@H](c2ccccc2)C2CC2)CC[C@H]1[NH3+] ZINC000261821977 535353177 /nfs/dbraw/zinc/35/31/77/535353177.db2.gz XZVYAILYOPLQDM-SJLPKXTDSA-N 2 2 315.461 2.313 10 0 DEAELP CC1(C)C[N@@H+](CC(=O)N[C@H](c2ccccc2)C2CC2)CC[C@H]1[NH3+] ZINC000261821977 535353179 /nfs/dbraw/zinc/35/31/79/535353179.db2.gz XZVYAILYOPLQDM-SJLPKXTDSA-N 2 2 315.461 2.313 10 0 DEAELP CCOc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000261891354 535746952 /nfs/dbraw/zinc/74/69/52/535746952.db2.gz VOKRWOYEKRQYBH-CZUORRHYSA-N 2 2 319.449 2.472 10 0 DEAELP CCOc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000261891354 535746956 /nfs/dbraw/zinc/74/69/56/535746956.db2.gz VOKRWOYEKRQYBH-CZUORRHYSA-N 2 2 319.449 2.472 10 0 DEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cn1c2ccccc2oc1=O ZINC000176072106 624612722 /nfs/dbraw/zinc/61/27/22/624612722.db2.gz LYOSHAOGCVVJSR-CQSZACIVSA-N 2 2 312.373 2.222 10 0 DEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cn1c2ccccc2oc1=O ZINC000176072106 624612724 /nfs/dbraw/zinc/61/27/24/624612724.db2.gz LYOSHAOGCVVJSR-CQSZACIVSA-N 2 2 312.373 2.222 10 0 DEAELP C[C@H](CNC(=O)Nc1ccc2[nH+]ccn2c1)[NH+]1CCCCC1 ZINC000738951538 635678242 /nfs/dbraw/zinc/67/82/42/635678242.db2.gz WROJNLDWMNELDC-CYBMUJFWSA-N 2 2 301.394 2.330 10 0 DEAELP CCC[C@H]1CC(=O)N(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)C1 ZINC000246155582 685124373 /nfs/dbraw/zinc/12/43/73/685124373.db2.gz IBYGZNRGQYFWGE-HOTGVXAUSA-N 2 2 304.438 2.262 10 0 DEAELP CCC[C@H]1CC(=O)N(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)C1 ZINC000246155582 685124375 /nfs/dbraw/zinc/12/43/75/685124375.db2.gz IBYGZNRGQYFWGE-HOTGVXAUSA-N 2 2 304.438 2.262 10 0 DEAELP C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1cccc(Cl)c1-n1cc[nH+]c1 ZINC000092951636 185350364 /nfs/dbraw/zinc/35/03/64/185350364.db2.gz BQFYHOGHMUTITN-WDEREUQCSA-N 2 2 304.781 2.462 10 0 DEAELP Cc1cc(C)cc(OC[C@@H](O)C[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000193812671 539715060 /nfs/dbraw/zinc/71/50/60/539715060.db2.gz NIMUPMNZECUJDJ-KRWDZBQOSA-N 2 2 306.450 2.069 10 0 DEAELP C[C@H]1OCC[C@@]1(C[NH3+])[N@H+](C)Cc1cccc(Br)c1 ZINC000147946082 186042748 /nfs/dbraw/zinc/04/27/48/186042748.db2.gz KKDMBLKZHZWMQQ-RISCZKNCSA-N 2 2 313.239 2.387 10 0 DEAELP C[C@H]1OCC[C@@]1(C[NH3+])[N@@H+](C)Cc1cccc(Br)c1 ZINC000147946082 186042749 /nfs/dbraw/zinc/04/27/49/186042749.db2.gz KKDMBLKZHZWMQQ-RISCZKNCSA-N 2 2 313.239 2.387 10 0 DEAELP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+][C@H]3CCCOC3)C2)cc1 ZINC000248741424 539775638 /nfs/dbraw/zinc/77/56/38/539775638.db2.gz DNEOCZZVLJFULS-ZWKOTPCHSA-N 2 2 304.434 2.046 10 0 DEAELP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+][C@H]3CCCOC3)C2)cc1 ZINC000248741424 539775644 /nfs/dbraw/zinc/77/56/44/539775644.db2.gz DNEOCZZVLJFULS-ZWKOTPCHSA-N 2 2 304.434 2.046 10 0 DEAELP C[C@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1n1cc[nH+]c1 ZINC000183904240 186229455 /nfs/dbraw/zinc/22/94/55/186229455.db2.gz GSGKCQJLGWXWQX-XJKSGUPXSA-N 2 2 313.405 2.067 10 0 DEAELP CC[NH+](CC)CC1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC000591166232 357684068 /nfs/dbraw/zinc/68/40/68/357684068.db2.gz RZCQYFIGFQVEKG-UHFFFAOYSA-N 2 2 306.454 2.244 10 0 DEAELP [NH3+]Cc1nc2ccc(Oc3ccc4[nH]c(C[NH3+])nc4c3)cc2[nH]1 ZINC000006813652 181394353 /nfs/dbraw/zinc/39/43/53/181394353.db2.gz OIZFZQVYJDIEEK-UHFFFAOYSA-N 2 2 308.345 2.149 10 0 DEAELP CCS(=O)(=O)CCC[C@@H]([NH2+]C)C1([NH+](C)C)CCCCC1 ZINC000091647379 193084629 /nfs/dbraw/zinc/08/46/29/193084629.db2.gz FIMJIDQJLJBTOJ-CQSZACIVSA-N 2 2 304.500 2.054 10 0 DEAELP c1c(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)nnn1CC1CC1 ZINC000450605020 242006397 /nfs/dbraw/zinc/00/63/97/242006397.db2.gz YDAHVZBHLBPXMF-QAPCUYQASA-N 2 2 315.465 2.137 10 0 DEAELP c1c(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)nnn1CC1CC1 ZINC000450605020 242006406 /nfs/dbraw/zinc/00/64/06/242006406.db2.gz YDAHVZBHLBPXMF-QAPCUYQASA-N 2 2 315.465 2.137 10 0 DEAELP c1c(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)nnn1CC1CC1 ZINC000450605020 242006415 /nfs/dbraw/zinc/00/64/15/242006415.db2.gz YDAHVZBHLBPXMF-QAPCUYQASA-N 2 2 315.465 2.137 10 0 DEAELP c1c(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)nnn1CC1CC1 ZINC000450605020 242006422 /nfs/dbraw/zinc/00/64/22/242006422.db2.gz YDAHVZBHLBPXMF-QAPCUYQASA-N 2 2 315.465 2.137 10 0 DEAELP COc1cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc2c1OCCO2 ZINC000093644090 193282251 /nfs/dbraw/zinc/28/22/51/193282251.db2.gz YEAFUPZMNRWXJN-ZFWWWQNUSA-N 2 2 320.433 2.381 10 0 DEAELP COc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc2c1OCCO2 ZINC000093644090 193282252 /nfs/dbraw/zinc/28/22/52/193282252.db2.gz YEAFUPZMNRWXJN-ZFWWWQNUSA-N 2 2 320.433 2.381 10 0 DEAELP COc1cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc2c1OCCO2 ZINC000093644090 193282254 /nfs/dbraw/zinc/28/22/54/193282254.db2.gz YEAFUPZMNRWXJN-ZFWWWQNUSA-N 2 2 320.433 2.381 10 0 DEAELP COc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc2c1OCCO2 ZINC000093644090 193282256 /nfs/dbraw/zinc/28/22/56/193282256.db2.gz YEAFUPZMNRWXJN-ZFWWWQNUSA-N 2 2 320.433 2.381 10 0 DEAELP CCC[N@H+](CC(=O)Nc1cccnc1Cl)CC(C)(C)C[NH3+] ZINC000093891961 193323581 /nfs/dbraw/zinc/32/35/81/193323581.db2.gz QHMLGOOJCDJFOS-UHFFFAOYSA-N 2 2 312.845 2.370 10 0 DEAELP CCC[N@@H+](CC(=O)Nc1cccnc1Cl)CC(C)(C)C[NH3+] ZINC000093891961 193323583 /nfs/dbraw/zinc/32/35/83/193323583.db2.gz QHMLGOOJCDJFOS-UHFFFAOYSA-N 2 2 312.845 2.370 10 0 DEAELP CC[NH2+][C@H]([C@@H]1CCC[C@H](S(C)(=O)=O)C1)[C@@](C)(CC)[NH+](C)C ZINC000094642908 193388967 /nfs/dbraw/zinc/38/89/67/193388967.db2.gz DYXCDAIEXVNRQB-QKPAOTATSA-N 2 2 318.527 2.298 10 0 DEAELP CCC[NH2+][C@H]1CCCc2sc([C@H]3C[NH+]4CCN3CC4)nc21 ZINC000094511099 193375112 /nfs/dbraw/zinc/37/51/12/193375112.db2.gz CJNANCRKOWUXQC-QWHCGFSZSA-N 2 2 306.479 2.192 10 0 DEAELP CCC[NH2+][C@@H](Cc1cccc(Cl)c1)[C@H]1C[NH+]2CCN1CC2 ZINC000094510982 193375960 /nfs/dbraw/zinc/37/59/60/193375960.db2.gz LWKDGWONISUMTP-DLBZAZTESA-N 2 2 307.869 2.251 10 0 DEAELP C[NH2+][C@@H]1CC(C)(C)Cc2nc([C@@H]3C[NH+]4CCN3CC4)sc21 ZINC000094511056 193376204 /nfs/dbraw/zinc/37/62/04/193376204.db2.gz SLWNXGZVUQCWJA-YPMHNXCESA-N 2 2 306.479 2.048 10 0 DEAELP COc1ccc(C[N@@H+]2C[C@H](C)C[C@@H]([NH3+])C2)cc1OC(F)F ZINC000094548182 193378470 /nfs/dbraw/zinc/37/84/70/193378470.db2.gz WYYGQOVQHPOOBO-ZYHUDNBSSA-N 2 2 300.349 2.466 10 0 DEAELP COc1ccc(C[N@H+]2C[C@H](C)C[C@@H]([NH3+])C2)cc1OC(F)F ZINC000094548182 193378471 /nfs/dbraw/zinc/37/84/71/193378471.db2.gz WYYGQOVQHPOOBO-ZYHUDNBSSA-N 2 2 300.349 2.466 10 0 DEAELP CCCOc1ccc2ccccc2c1C[NH2+]CC[NH2+]CCO ZINC000020967989 182256720 /nfs/dbraw/zinc/25/67/20/182256720.db2.gz ZALPKIBQAXYQKA-UHFFFAOYSA-N 2 2 302.418 2.300 10 0 DEAELP Cc1cc(C)c(CNC(=O)NCC[N@H+]2CC=C(C)CC2)c[nH+]1 ZINC000454792788 246159789 /nfs/dbraw/zinc/15/97/89/246159789.db2.gz TZZYQZHYHQSKRM-UHFFFAOYSA-N 2 2 302.422 2.150 10 0 DEAELP Cc1cc(C)c(CNC(=O)NCC[N@@H+]2CC=C(C)CC2)c[nH+]1 ZINC000454792788 246159797 /nfs/dbraw/zinc/15/97/97/246159797.db2.gz TZZYQZHYHQSKRM-UHFFFAOYSA-N 2 2 302.422 2.150 10 0 DEAELP CC(C)CCn1c2ccccc2[nH+]c1NCCN1CC[NH2+]CC1 ZINC000022863901 182337910 /nfs/dbraw/zinc/33/79/10/182337910.db2.gz CMMQOCDLBQMGBG-UHFFFAOYSA-N 2 2 315.465 2.400 10 0 DEAELP Nc1c(NCC[NH+]2CCCCC2)nc[nH+]c1N1CCCCCC1 ZINC000040725439 183124433 /nfs/dbraw/zinc/12/44/33/183124433.db2.gz IUVOHJKOFKTXOQ-UHFFFAOYSA-N 2 2 318.469 2.337 10 0 DEAELP COCC[NH+](CCOC)[C@H](c1ccc(Cl)cc1)[C@@H](C)[NH3+] ZINC000042945354 183320131 /nfs/dbraw/zinc/32/01/31/183320131.db2.gz LXOYZUWAVDKHAU-DOMZBBRYSA-N 2 2 300.830 2.323 10 0 DEAELP C[C@H]([NH3+])[C@@H](c1cccc(Br)c1)[N@H+](CCO)C1CC1 ZINC000043021724 183329990 /nfs/dbraw/zinc/32/99/90/183329990.db2.gz WUYLHAGOIDCMBY-HZMBPMFUSA-N 2 2 313.239 2.294 10 0 DEAELP C[C@H]([NH3+])[C@@H](c1cccc(Br)c1)[N@@H+](CCO)C1CC1 ZINC000043021724 183329993 /nfs/dbraw/zinc/32/99/93/183329993.db2.gz WUYLHAGOIDCMBY-HZMBPMFUSA-N 2 2 313.239 2.294 10 0 DEAELP CC[C@@H]([NH3+])[C@H](c1sccc1C)[NH+](CCOC)CCOC ZINC000043248095 183347382 /nfs/dbraw/zinc/34/73/82/183347382.db2.gz FWHBSASCHWXFHS-ZIAGYGMSSA-N 2 2 300.468 2.430 10 0 DEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](C(N)=O)c2ccccc2)C1 ZINC000105897163 194161481 /nfs/dbraw/zinc/16/14/81/194161481.db2.gz UPEWUEJIMSOOPF-RDJZCZTQSA-N 2 2 312.417 2.309 10 0 DEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](C(N)=O)c2ccccc2)C1 ZINC000105897163 194161483 /nfs/dbraw/zinc/16/14/83/194161483.db2.gz UPEWUEJIMSOOPF-RDJZCZTQSA-N 2 2 312.417 2.309 10 0 DEAELP C[C@H](c1ccccc1Cl)[N@H+](C)CC(=O)N1CCC[NH2+]CC1 ZINC000062014438 184201131 /nfs/dbraw/zinc/20/11/31/184201131.db2.gz SVHQTFQOQUEXDE-CYBMUJFWSA-N 2 2 309.841 2.155 10 0 DEAELP C[C@H](c1ccccc1Cl)[N@@H+](C)CC(=O)N1CCC[NH2+]CC1 ZINC000062014438 184201132 /nfs/dbraw/zinc/20/11/32/184201132.db2.gz SVHQTFQOQUEXDE-CYBMUJFWSA-N 2 2 309.841 2.155 10 0 DEAELP COCCC[N@H+](C)[C@H](C[NH3+])c1cc(Cl)c2c(c1)OCCO2 ZINC000062029984 184202163 /nfs/dbraw/zinc/20/21/63/184202163.db2.gz HWDVEKHSEQCHAA-CYBMUJFWSA-N 2 2 314.813 2.079 10 0 DEAELP COCCC[N@@H+](C)[C@H](C[NH3+])c1cc(Cl)c2c(c1)OCCO2 ZINC000062029984 184202164 /nfs/dbraw/zinc/20/21/64/184202164.db2.gz HWDVEKHSEQCHAA-CYBMUJFWSA-N 2 2 314.813 2.079 10 0 DEAELP COCCC[N@H+](C)[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000062029369 184202447 /nfs/dbraw/zinc/20/24/47/184202447.db2.gz RMCJQXWVUZLWPG-ZDUSSCGKSA-N 2 2 301.228 2.417 10 0 DEAELP COCCC[N@@H+](C)[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000062029369 184202449 /nfs/dbraw/zinc/20/24/49/184202449.db2.gz RMCJQXWVUZLWPG-ZDUSSCGKSA-N 2 2 301.228 2.417 10 0 DEAELP C[C@H]1C[C@H](Nc2[nH+]c3c(cc2C(N)=S)CCC3)CC[N@@H+]1C ZINC000158059859 197239525 /nfs/dbraw/zinc/23/95/25/197239525.db2.gz JOIJUUWXZILAMG-CMPLNLGQSA-N 2 2 304.463 2.099 10 0 DEAELP C[C@H]1C[C@H](Nc2[nH+]c3c(cc2C(N)=S)CCC3)CC[N@H+]1C ZINC000158059859 197239528 /nfs/dbraw/zinc/23/95/28/197239528.db2.gz JOIJUUWXZILAMG-CMPLNLGQSA-N 2 2 304.463 2.099 10 0 DEAELP COc1ccccc1/C=C/C[N@H+](CCO)C1CC[NH+](C)CC1 ZINC000155511956 197061684 /nfs/dbraw/zinc/06/16/84/197061684.db2.gz CKDXYRZZPDTLSE-FNORWQNLSA-N 2 2 304.434 2.097 10 0 DEAELP COc1ccccc1/C=C/C[N@@H+](CCO)C1CC[NH+](C)CC1 ZINC000155511956 197061686 /nfs/dbraw/zinc/06/16/86/197061686.db2.gz CKDXYRZZPDTLSE-FNORWQNLSA-N 2 2 304.434 2.097 10 0 DEAELP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2noc(-c3ccccc3)n2)C1 ZINC000542517446 285230535 /nfs/dbraw/zinc/23/05/35/285230535.db2.gz AWGCCEBCFFTCFS-AWEZNQCLSA-N 2 2 309.373 2.460 10 0 DEAELP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2noc(-c3ccccc3)n2)C1 ZINC000542517446 285230542 /nfs/dbraw/zinc/23/05/42/285230542.db2.gz AWGCCEBCFFTCFS-AWEZNQCLSA-N 2 2 309.373 2.460 10 0 DEAELP Cn1cc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccsc4)C[C@H]3C2)cn1 ZINC000248160493 257106988 /nfs/dbraw/zinc/10/69/88/257106988.db2.gz XIZXAZKUEWJHDS-DLBZAZTESA-N 2 2 316.474 2.436 10 0 DEAELP Cn1cc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccsc4)C[C@H]3C2)cn1 ZINC000248160493 257106990 /nfs/dbraw/zinc/10/69/90/257106990.db2.gz XIZXAZKUEWJHDS-DLBZAZTESA-N 2 2 316.474 2.436 10 0 DEAELP Cn1cc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccsc4)C[C@H]3C2)cn1 ZINC000248160493 257106992 /nfs/dbraw/zinc/10/69/92/257106992.db2.gz XIZXAZKUEWJHDS-DLBZAZTESA-N 2 2 316.474 2.436 10 0 DEAELP Cn1cc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccsc4)C[C@H]3C2)cn1 ZINC000248160493 257106994 /nfs/dbraw/zinc/10/69/94/257106994.db2.gz XIZXAZKUEWJHDS-DLBZAZTESA-N 2 2 316.474 2.436 10 0 DEAELP CO[C@H]1C[C@H](c2nc(C)no2)[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC000189326780 533302433 /nfs/dbraw/zinc/30/24/33/533302433.db2.gz COGDFVAFCMEPTE-LSDHHAIUSA-N 2 2 319.409 2.125 10 0 DEAELP CO[C@H]1C[C@H](c2nc(C)no2)[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000189326780 533302440 /nfs/dbraw/zinc/30/24/40/533302440.db2.gz COGDFVAFCMEPTE-LSDHHAIUSA-N 2 2 319.409 2.125 10 0 DEAELP C[C@H]1C[N@H+](CCc2ccccc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000362703254 133246405 /nfs/dbraw/zinc/24/64/05/133246405.db2.gz PSHRBWKSGOPLCS-PKOBYXMFSA-N 2 2 301.478 2.187 10 0 DEAELP C[C@H]1C[N@@H+](CCc2ccccc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000362703254 133246406 /nfs/dbraw/zinc/24/64/06/133246406.db2.gz PSHRBWKSGOPLCS-PKOBYXMFSA-N 2 2 301.478 2.187 10 0 DEAELP COc1c(C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c(C)nn1C ZINC000246437406 145103074 /nfs/dbraw/zinc/10/30/74/145103074.db2.gz NDUYSAGCWLZMHR-DOMZBBRYSA-N 2 2 303.410 2.017 10 0 DEAELP COc1c(C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c(C)nn1C ZINC000246437406 145103075 /nfs/dbraw/zinc/10/30/75/145103075.db2.gz NDUYSAGCWLZMHR-DOMZBBRYSA-N 2 2 303.410 2.017 10 0 DEAELP COc1ccc(C)cc1NC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246518720 145105283 /nfs/dbraw/zinc/10/52/83/145105283.db2.gz BRLJHNIURDKWOB-LSDHHAIUSA-N 2 2 319.449 2.357 10 0 DEAELP COc1ccc(C)cc1NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246518720 145105285 /nfs/dbraw/zinc/10/52/85/145105285.db2.gz BRLJHNIURDKWOB-LSDHHAIUSA-N 2 2 319.449 2.357 10 0 DEAELP COc1ccc(C)cc1NC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246518720 145105287 /nfs/dbraw/zinc/10/52/87/145105287.db2.gz BRLJHNIURDKWOB-LSDHHAIUSA-N 2 2 319.449 2.357 10 0 DEAELP COc1ccc(C)cc1NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246518720 145105288 /nfs/dbraw/zinc/10/52/88/145105288.db2.gz BRLJHNIURDKWOB-LSDHHAIUSA-N 2 2 319.449 2.357 10 0 DEAELP C[C@@H](c1nc(-c2cccnc2)no1)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000247017545 145124026 /nfs/dbraw/zinc/12/40/26/145124026.db2.gz QPRGECHOGJIENJ-KBPBESRZSA-N 2 2 315.421 2.466 10 0 DEAELP C[C@@H](c1nc(-c2cccnc2)no1)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000247017545 145124027 /nfs/dbraw/zinc/12/40/27/145124027.db2.gz QPRGECHOGJIENJ-KBPBESRZSA-N 2 2 315.421 2.466 10 0 DEAELP C[C@@H](c1nc(-c2cccnc2)no1)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000247017545 145124028 /nfs/dbraw/zinc/12/40/28/145124028.db2.gz QPRGECHOGJIENJ-KBPBESRZSA-N 2 2 315.421 2.466 10 0 DEAELP C[C@@H](c1nc(-c2cccnc2)no1)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000247017545 145124029 /nfs/dbraw/zinc/12/40/29/145124029.db2.gz QPRGECHOGJIENJ-KBPBESRZSA-N 2 2 315.421 2.466 10 0 DEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1ccccc1 ZINC000247088133 145126594 /nfs/dbraw/zinc/12/65/94/145126594.db2.gz PQHHMPKESOHVEG-DLBZAZTESA-N 2 2 315.417 2.096 10 0 DEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@@H](O)COc1ccccc1 ZINC000247088133 145126595 /nfs/dbraw/zinc/12/65/95/145126595.db2.gz PQHHMPKESOHVEG-DLBZAZTESA-N 2 2 315.417 2.096 10 0 DEAELP CC[C@@H](C)[C@H](C)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000248521457 145157424 /nfs/dbraw/zinc/15/74/24/145157424.db2.gz BNDGFKPCNKQIMU-WXCOAYGQSA-N 2 2 321.509 2.438 10 0 DEAELP CC[C@@H](C)[C@H](C)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000248521457 145157425 /nfs/dbraw/zinc/15/74/25/145157425.db2.gz BNDGFKPCNKQIMU-WXCOAYGQSA-N 2 2 321.509 2.438 10 0 DEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@H](C)c1nc(C)cc(=O)[nH]1 ZINC000248759101 145166816 /nfs/dbraw/zinc/16/68/16/145166816.db2.gz QHYMBOCNBBKZJC-OCCSQVGLSA-N 2 2 301.394 2.221 10 0 DEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@H](C)c1nc(C)cc(=O)[nH]1 ZINC000248759101 145166817 /nfs/dbraw/zinc/16/68/17/145166817.db2.gz QHYMBOCNBBKZJC-OCCSQVGLSA-N 2 2 301.394 2.221 10 0 DEAELP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(C)OCCCO1 ZINC000249107434 145178940 /nfs/dbraw/zinc/17/89/40/145178940.db2.gz VOVITRLYMZJLPR-DOTOQJQBSA-N 2 2 319.449 2.035 10 0 DEAELP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(C)OCCCO1 ZINC000249107434 145178941 /nfs/dbraw/zinc/17/89/41/145178941.db2.gz VOVITRLYMZJLPR-DOTOQJQBSA-N 2 2 319.449 2.035 10 0 DEAELP C[C@@H](C(=O)N1CCc2sccc2C1)[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261622851 145210994 /nfs/dbraw/zinc/21/09/94/145210994.db2.gz DPPDWMNUNYILBJ-SWLSCSKDSA-N 2 2 321.490 2.081 10 0 DEAELP C[C@@H](C(=O)N1CCc2sccc2C1)[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261622851 145210997 /nfs/dbraw/zinc/21/09/97/145210997.db2.gz DPPDWMNUNYILBJ-SWLSCSKDSA-N 2 2 321.490 2.081 10 0 DEAELP C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261683246 145216274 /nfs/dbraw/zinc/21/62/74/145216274.db2.gz KECYRJIYZYISAD-BFYDXBDKSA-N 2 2 317.477 2.354 10 0 DEAELP C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261683246 145216276 /nfs/dbraw/zinc/21/62/76/145216276.db2.gz KECYRJIYZYISAD-BFYDXBDKSA-N 2 2 317.477 2.354 10 0 DEAELP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc3c(c2)sc(=O)n3C)C1 ZINC000261939244 145245011 /nfs/dbraw/zinc/24/50/11/145245011.db2.gz MLIVHLQRJHCHBJ-ZDUSSCGKSA-N 2 2 305.447 2.031 10 0 DEAELP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)sc(=O)n3C)C1 ZINC000261939244 145245012 /nfs/dbraw/zinc/24/50/12/145245012.db2.gz MLIVHLQRJHCHBJ-ZDUSSCGKSA-N 2 2 305.447 2.031 10 0 DEAELP CCN(C(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000261977220 145249400 /nfs/dbraw/zinc/24/94/00/145249400.db2.gz QVNJTUARSQSDTA-FKEKPDDDSA-N 2 2 301.434 2.254 10 0 DEAELP CCN(C(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000261977220 145249401 /nfs/dbraw/zinc/24/94/01/145249401.db2.gz QVNJTUARSQSDTA-FKEKPDDDSA-N 2 2 301.434 2.254 10 0 DEAELP Cc1[nH+]ccn1CC[NH2+][C@@H](c1ccn(C)n1)c1ccc(F)cc1 ZINC000359233194 147287732 /nfs/dbraw/zinc/28/77/32/147287732.db2.gz JYUQPPMGVUMDMH-QGZVFWFLSA-N 2 2 313.380 2.443 10 0 DEAELP C[C@@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)C(C)(C)C ZINC000112462185 401746313 /nfs/dbraw/zinc/74/63/13/401746313.db2.gz FZGYIIPJWPIYFO-CQSZACIVSA-N 2 2 312.502 2.088 10 0 DEAELP C[C@@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)C(C)(C)C ZINC000112462185 401746317 /nfs/dbraw/zinc/74/63/17/401746317.db2.gz FZGYIIPJWPIYFO-CQSZACIVSA-N 2 2 312.502 2.088 10 0 DEAELP CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]CCn2cc[nH+]c2)C1 ZINC000129938472 401812502 /nfs/dbraw/zinc/81/25/02/401812502.db2.gz MLJWVIOIXWHCGP-CQSZACIVSA-N 2 2 308.426 2.120 10 0 DEAELP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CC(=O)NCCC(C)(C)C)C1 ZINC000090003974 401977991 /nfs/dbraw/zinc/97/79/91/401977991.db2.gz IFYCTVPOQRXUFY-OAHLLOKOSA-N 2 2 320.481 2.227 10 0 DEAELP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CC(=O)NCCC(C)(C)C)C1 ZINC000090003974 401977994 /nfs/dbraw/zinc/97/79/94/401977994.db2.gz IFYCTVPOQRXUFY-OAHLLOKOSA-N 2 2 320.481 2.227 10 0 DEAELP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)CC2 ZINC000151273489 402027621 /nfs/dbraw/zinc/02/76/21/402027621.db2.gz LSWRRADQHHKCFR-QAPCUYQASA-N 2 2 304.434 2.119 10 0 DEAELP CCC(C)(C)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000154475114 402214695 /nfs/dbraw/zinc/21/46/95/402214695.db2.gz OKUVYDZFMJOZMK-XYPWUTKMSA-N 2 2 307.482 2.192 10 0 DEAELP CCC(C)(C)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000154475114 402214699 /nfs/dbraw/zinc/21/46/99/402214699.db2.gz OKUVYDZFMJOZMK-XYPWUTKMSA-N 2 2 307.482 2.192 10 0 DEAELP C[C@H]([NH2+]C[C@@]1(CCO)CCOC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000125699212 402245872 /nfs/dbraw/zinc/24/58/72/402245872.db2.gz MKTBMIUBWFTXKM-MAUKXSAKSA-N 2 2 315.417 2.312 10 0 DEAELP COc1ccccc1NC(=O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109792288 402276129 /nfs/dbraw/zinc/27/61/29/402276129.db2.gz FIKIFCPCXSACGC-UHFFFAOYSA-N 2 2 314.389 2.167 10 0 DEAELP CCOCC[N@@H+]1CCN(CCCCn2cc[nH+]c2C)C[C@@H]1C ZINC000161676704 402395227 /nfs/dbraw/zinc/39/52/27/402395227.db2.gz BFIVQIRVEMEMKJ-INIZCTEOSA-N 2 2 308.470 2.014 10 0 DEAELP CCOCC[N@H+]1CCN(CCCCn2cc[nH+]c2C)C[C@@H]1C ZINC000161676704 402395228 /nfs/dbraw/zinc/39/52/28/402395228.db2.gz BFIVQIRVEMEMKJ-INIZCTEOSA-N 2 2 308.470 2.014 10 0 DEAELP CC(C)CCn1cccc1C[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000161766391 402397870 /nfs/dbraw/zinc/39/78/70/402397870.db2.gz MPDDTEHPXYTKOE-GOSISDBHSA-N 2 2 307.482 2.471 10 0 DEAELP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177413136 402400038 /nfs/dbraw/zinc/40/00/38/402400038.db2.gz ZQJAFDAVLVCHLC-JKSUJKDBSA-N 2 2 321.469 2.033 10 0 DEAELP CCOCC[N@@H+]1CCN(Cc2c[nH+]c3ccc(C)cn23)C[C@H]1C ZINC000245741685 402484887 /nfs/dbraw/zinc/48/48/87/402484887.db2.gz LYWCJANRFROUIX-MRXNPFEDSA-N 2 2 316.449 2.185 10 0 DEAELP CCOCC[N@H+]1CCN(Cc2c[nH+]c3ccc(C)cn23)C[C@H]1C ZINC000245741685 402484888 /nfs/dbraw/zinc/48/48/88/402484888.db2.gz LYWCJANRFROUIX-MRXNPFEDSA-N 2 2 316.449 2.185 10 0 DEAELP Cc1[nH+]c2ccccc2n1CC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000178816545 402543480 /nfs/dbraw/zinc/54/34/80/402543480.db2.gz YDCZYASWMKPHQM-YIONKMFJSA-N 2 2 312.417 2.086 10 0 DEAELP C[C@H](CN1CCOCC1)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189911585 402566328 /nfs/dbraw/zinc/56/63/28/402566328.db2.gz PQLDDYLMSZTABS-CVEARBPZSA-N 2 2 314.433 2.244 10 0 DEAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N(C)C2CCCCC2)[C@@H](C)C1 ZINC000246406562 402529515 /nfs/dbraw/zinc/52/95/15/402529515.db2.gz AVJCUJHWLPKEKA-DOTOQJQBSA-N 2 2 309.498 2.440 10 0 DEAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N(C)C2CCCCC2)[C@@H](C)C1 ZINC000246406562 402529516 /nfs/dbraw/zinc/52/95/16/402529516.db2.gz AVJCUJHWLPKEKA-DOTOQJQBSA-N 2 2 309.498 2.440 10 0 DEAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N(C)C2CCCCC2)[C@@H](C)C1 ZINC000246406562 402529517 /nfs/dbraw/zinc/52/95/17/402529517.db2.gz AVJCUJHWLPKEKA-DOTOQJQBSA-N 2 2 309.498 2.440 10 0 DEAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N(C)C2CCCCC2)[C@@H](C)C1 ZINC000246406562 402529518 /nfs/dbraw/zinc/52/95/18/402529518.db2.gz AVJCUJHWLPKEKA-DOTOQJQBSA-N 2 2 309.498 2.440 10 0 DEAELP CC1(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)OCCCO1 ZINC000190646663 402616118 /nfs/dbraw/zinc/61/61/18/402616118.db2.gz ZEYLLRVBFFXSNR-UHFFFAOYSA-N 2 2 318.461 2.436 10 0 DEAELP CCCC[C@@H](COC)[NH2+]C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000180571175 402620294 /nfs/dbraw/zinc/62/02/94/402620294.db2.gz CKTUSESZYHWELL-GJZGRUSLSA-N 2 2 321.469 2.282 10 0 DEAELP C[C@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)C1CCCC1 ZINC000172231346 402646196 /nfs/dbraw/zinc/64/61/96/402646196.db2.gz PLJJIKMPXOCIPU-HNNXBMFYSA-N 2 2 324.513 2.233 10 0 DEAELP C[C@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)C1CCCC1 ZINC000172231346 402646199 /nfs/dbraw/zinc/64/61/99/402646199.db2.gz PLJJIKMPXOCIPU-HNNXBMFYSA-N 2 2 324.513 2.233 10 0 DEAELP COCCN(C)c1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cn1 ZINC000191399066 402667099 /nfs/dbraw/zinc/66/70/99/402667099.db2.gz RLRRBJLQBLGETH-RDJZCZTQSA-N 2 2 320.481 2.079 10 0 DEAELP COCCN(C)c1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cn1 ZINC000191399066 402667101 /nfs/dbraw/zinc/66/71/01/402667101.db2.gz RLRRBJLQBLGETH-RDJZCZTQSA-N 2 2 320.481 2.079 10 0 DEAELP COCCN(C)c1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cn1 ZINC000191399066 402667105 /nfs/dbraw/zinc/66/71/05/402667105.db2.gz RLRRBJLQBLGETH-RDJZCZTQSA-N 2 2 320.481 2.079 10 0 DEAELP COCCN(C)c1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cn1 ZINC000191399066 402667107 /nfs/dbraw/zinc/66/71/07/402667107.db2.gz RLRRBJLQBLGETH-RDJZCZTQSA-N 2 2 320.481 2.079 10 0 DEAELP CCC[NH+]1CCC(N(C)C(=O)[C@H]2CCCn3cc[nH+]c32)CC1 ZINC000175041957 402774328 /nfs/dbraw/zinc/77/43/28/402774328.db2.gz QZFIAFXUWPRUSW-HNNXBMFYSA-N 2 2 304.438 2.093 10 0 DEAELP CC1CCN(C(=O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)CC1 ZINC000195515689 402848557 /nfs/dbraw/zinc/84/85/57/402848557.db2.gz QFMGUWTXWKJINQ-INIZCTEOSA-N 2 2 316.449 2.074 10 0 DEAELP CC1CCN(C(=O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)CC1 ZINC000195515689 402848559 /nfs/dbraw/zinc/84/85/59/402848559.db2.gz QFMGUWTXWKJINQ-INIZCTEOSA-N 2 2 316.449 2.074 10 0 DEAELP Cc1cc(N2CCN(c3[nH]c4ccccc4[nH+]3)CC2)nc(C)[nH+]1 ZINC000301886432 403696100 /nfs/dbraw/zinc/69/61/00/403696100.db2.gz PAPLELOLZIDEQA-UHFFFAOYSA-N 2 2 308.389 2.296 10 0 DEAELP c1cn(-c2csc(C[NH2+][C@@H]3CCO[C@]4(CCOC4)C3)c2)c[nH+]1 ZINC000344331953 404063810 /nfs/dbraw/zinc/06/38/10/404063810.db2.gz YFCLWIXPCIWBGS-CZUORRHYSA-N 2 2 319.430 2.362 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N(C)C1CC[NH+](C)CC1)C2 ZINC000364556259 404447799 /nfs/dbraw/zinc/44/77/99/404447799.db2.gz XLQVZYXNOJMZBU-ZDUSSCGKSA-N 2 2 318.465 2.191 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N(C)C1CC[NH+](C)CC1)CC2 ZINC000364556259 404447801 /nfs/dbraw/zinc/44/78/01/404447801.db2.gz XLQVZYXNOJMZBU-ZDUSSCGKSA-N 2 2 318.465 2.191 10 0 DEAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H]3CCCCC3(C)C)C2)CC1 ZINC000366051637 404749057 /nfs/dbraw/zinc/74/90/57/404749057.db2.gz IYSPUJVPAWBEEX-NVXWUHKLSA-N 2 2 321.509 2.488 10 0 DEAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@H]3CCCCC3(C)C)C2)CC1 ZINC000366051637 404749060 /nfs/dbraw/zinc/74/90/60/404749060.db2.gz IYSPUJVPAWBEEX-NVXWUHKLSA-N 2 2 321.509 2.488 10 0 DEAELP [NH3+]C1(C[NH2+]Cc2csc(Br)c2)CCOCC1 ZINC000398176016 405060627 /nfs/dbraw/zinc/06/06/27/405060627.db2.gz IYGOPOKVJHPHQM-UHFFFAOYSA-N 2 2 305.241 2.108 10 0 DEAELP Cc1cc(NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)c(C)c[nH+]1 ZINC000408473890 405215356 /nfs/dbraw/zinc/21/53/56/405215356.db2.gz PUQBXFRRZIAQBV-UKRRQHHQSA-N 2 2 310.401 2.226 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@H](C)[NH+]1CCCC1)C2 ZINC000530473584 405808952 /nfs/dbraw/zinc/80/89/52/405808952.db2.gz AXBHURISBZQFAC-KBPBESRZSA-N 2 2 318.465 2.239 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@H](C)[NH+]1CCCC1)CC2 ZINC000530473584 405808958 /nfs/dbraw/zinc/80/89/58/405808958.db2.gz AXBHURISBZQFAC-KBPBESRZSA-N 2 2 318.465 2.239 10 0 DEAELP CCn1nncc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000459416344 405894833 /nfs/dbraw/zinc/89/48/33/405894833.db2.gz XGURSVTVEQOMIF-MAUKXSAKSA-N 2 2 313.449 2.298 10 0 DEAELP CCn1nncc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000459416344 405894841 /nfs/dbraw/zinc/89/48/41/405894841.db2.gz XGURSVTVEQOMIF-MAUKXSAKSA-N 2 2 313.449 2.298 10 0 DEAELP c1c(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)nc2ncccn12 ZINC000459500188 405931225 /nfs/dbraw/zinc/93/12/25/405931225.db2.gz FYDLPGQXQORCJD-QGZVFWFLSA-N 2 2 321.428 2.341 10 0 DEAELP c1c(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)nc2ncccn12 ZINC000459500188 405931230 /nfs/dbraw/zinc/93/12/30/405931230.db2.gz FYDLPGQXQORCJD-QGZVFWFLSA-N 2 2 321.428 2.341 10 0 DEAELP Cc1[nH+]c2ccccc2n1CCC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000547473835 406414725 /nfs/dbraw/zinc/41/47/25/406414725.db2.gz QQLCFZZNUKSZHB-OAHLLOKOSA-N 2 2 314.433 2.193 10 0 DEAELP Cc1[nH+]c2ccccc2n1CCC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000547473835 406414728 /nfs/dbraw/zinc/41/47/28/406414728.db2.gz QQLCFZZNUKSZHB-OAHLLOKOSA-N 2 2 314.433 2.193 10 0 DEAELP C[N@H+](CCC[NH2+][C@H]1CCCS(=O)(=O)CC1)Cc1ccccc1 ZINC000634951352 406367009 /nfs/dbraw/zinc/36/70/09/406367009.db2.gz UEGSWIKKSNBGPT-KRWDZBQOSA-N 2 2 324.490 2.065 10 0 DEAELP C[N@@H+](CCC[NH2+][C@H]1CCCS(=O)(=O)CC1)Cc1ccccc1 ZINC000634951352 406367012 /nfs/dbraw/zinc/36/70/12/406367012.db2.gz UEGSWIKKSNBGPT-KRWDZBQOSA-N 2 2 324.490 2.065 10 0 DEAELP CCCNc1nc(NC[C@H](C)[NH+](C)C)c(Br)c[nH+]1 ZINC000132225429 196236864 /nfs/dbraw/zinc/23/68/64/196236864.db2.gz GRPYMGZHUOJTHB-VIFPVBQESA-N 2 2 316.247 2.423 10 0 DEAELP c1coc(-c2noc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)n2)c1 ZINC000386969325 424912397 /nfs/dbraw/zinc/91/23/97/424912397.db2.gz XXXQQOPMIZSRTP-QWHCGFSZSA-N 2 2 302.378 2.294 10 0 DEAELP c1coc(-c2noc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)n2)c1 ZINC000386969325 424912399 /nfs/dbraw/zinc/91/23/99/424912399.db2.gz XXXQQOPMIZSRTP-QWHCGFSZSA-N 2 2 302.378 2.294 10 0 DEAELP CC1(C)C[N@@H+]([C@@H]2CCCN(c3ccccc3)C2=O)CC[C@@H]1[NH3+] ZINC000261601170 281261655 /nfs/dbraw/zinc/26/16/55/281261655.db2.gz AEDVDHPRFINCTH-CVEARBPZSA-N 2 2 301.434 2.241 10 0 DEAELP CC1(C)C[N@H+]([C@@H]2CCCN(c3ccccc3)C2=O)CC[C@@H]1[NH3+] ZINC000261601170 281261657 /nfs/dbraw/zinc/26/16/57/281261657.db2.gz AEDVDHPRFINCTH-CVEARBPZSA-N 2 2 301.434 2.241 10 0 DEAELP c1cc(-c2noc(C[N@@H+]3CC[C@@]4(C3)CCC[NH2+]C4)n2)cs1 ZINC000573001219 326010408 /nfs/dbraw/zinc/01/04/08/326010408.db2.gz HYIZLKAQYFPTMH-HNNXBMFYSA-N 2 2 304.419 2.374 10 0 DEAELP c1cc(-c2noc(C[N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)n2)cs1 ZINC000573001219 326010411 /nfs/dbraw/zinc/01/04/11/326010411.db2.gz HYIZLKAQYFPTMH-HNNXBMFYSA-N 2 2 304.419 2.374 10 0 DEAELP Brc1ccc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)nc1 ZINC000574005611 326113276 /nfs/dbraw/zinc/11/32/76/326113276.db2.gz VIWDMRYBHGCEIJ-SNVBAGLBSA-N 2 2 307.195 2.214 10 0 DEAELP Brc1ccc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)nc1 ZINC000574005611 326113278 /nfs/dbraw/zinc/11/32/78/326113278.db2.gz VIWDMRYBHGCEIJ-SNVBAGLBSA-N 2 2 307.195 2.214 10 0 DEAELP CCCCOC[C@H](O)C[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000398014625 337303893 /nfs/dbraw/zinc/30/38/93/337303893.db2.gz FVCJQJABFWECGI-BHIYHBOVSA-N 2 2 320.477 2.417 10 0 DEAELP CCCCOC[C@H](O)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000398014625 337303894 /nfs/dbraw/zinc/30/38/94/337303894.db2.gz FVCJQJABFWECGI-BHIYHBOVSA-N 2 2 320.477 2.417 10 0 DEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000246173711 519523378 /nfs/dbraw/zinc/52/33/78/519523378.db2.gz GIFGDSNGSOYUPV-LSDHHAIUSA-N 2 2 321.469 2.021 10 0 DEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000246173711 519523385 /nfs/dbraw/zinc/52/33/85/519523385.db2.gz GIFGDSNGSOYUPV-LSDHHAIUSA-N 2 2 321.469 2.021 10 0 DEAELP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc3c(c2)sc(=O)n3C)C1 ZINC000192625805 527836588 /nfs/dbraw/zinc/83/65/88/527836588.db2.gz QHJRLOJYXKKKJR-CQSZACIVSA-N 2 2 319.474 2.374 10 0 DEAELP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc3c(c2)sc(=O)n3C)C1 ZINC000192625805 527836591 /nfs/dbraw/zinc/83/65/91/527836591.db2.gz QHJRLOJYXKKKJR-CQSZACIVSA-N 2 2 319.474 2.374 10 0 DEAELP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc3c(c2)sc(=O)n3C)C1 ZINC000192625805 527836595 /nfs/dbraw/zinc/83/65/95/527836595.db2.gz QHJRLOJYXKKKJR-CQSZACIVSA-N 2 2 319.474 2.374 10 0 DEAELP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc3c(c2)sc(=O)n3C)C1 ZINC000192625805 527836598 /nfs/dbraw/zinc/83/65/98/527836598.db2.gz QHJRLOJYXKKKJR-CQSZACIVSA-N 2 2 319.474 2.374 10 0 DEAELP C[C@@H](C[NH+]1CCCCC1)[NH2+]CC1CN(C(=O)OC(C)(C)C)C1 ZINC000710838503 1086689876 /nfs/dbraw/zinc/68/98/76/1086689876.db2.gz VTTVELMGVNSUAS-AWEZNQCLSA-N 2 2 311.470 2.317 10 0 DEAELP Cc1cc(N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)nc[nH+]1 ZINC000328621244 231251549 /nfs/dbraw/zinc/25/15/49/231251549.db2.gz HPRAMNPDULLEAG-WMLDXEAASA-N 2 2 314.437 2.038 10 0 DEAELP Cc1cc(N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)nc[nH+]1 ZINC000328621244 231251551 /nfs/dbraw/zinc/25/15/51/231251551.db2.gz HPRAMNPDULLEAG-WMLDXEAASA-N 2 2 314.437 2.038 10 0 DEAELP [NH3+]C[C@H]([NH2+]CC1CC1)c1cc2c(c(Br)c1)OCO2 ZINC000087912276 185237278 /nfs/dbraw/zinc/23/72/78/185237278.db2.gz RUKICFYVFFPHAZ-NSHDSACASA-N 2 2 313.195 2.177 10 0 DEAELP [NH3+]C[C@@H]([NH2+]C[C@@H]1CCCO1)c1ccc(OC(F)(F)F)cc1 ZINC000087928676 185237556 /nfs/dbraw/zinc/23/75/56/185237556.db2.gz PKFASDAXLFNYDK-QWHCGFSZSA-N 2 2 304.312 2.354 10 0 DEAELP [NH3+]C[C@H]([NH2+]C[C@H]1CCCO1)c1ccc(OC(F)(F)F)cc1 ZINC000087928679 185237590 /nfs/dbraw/zinc/23/75/90/185237590.db2.gz PKFASDAXLFNYDK-OLZOCXBDSA-N 2 2 304.312 2.354 10 0 DEAELP [NH3+]C[C@]1(NCC(F)(F)F)CCC[N@H+](Cc2ccccc2)C1 ZINC000087929691 185237687 /nfs/dbraw/zinc/23/76/87/185237687.db2.gz JUJWZHKSPWCCCJ-CQSZACIVSA-N 2 2 301.356 2.132 10 0 DEAELP [NH3+]C[C@]1(NCC(F)(F)F)CCC[N@@H+](Cc2ccccc2)C1 ZINC000087929691 185237688 /nfs/dbraw/zinc/23/76/88/185237688.db2.gz JUJWZHKSPWCCCJ-CQSZACIVSA-N 2 2 301.356 2.132 10 0 DEAELP CC[C@H](C[NH3+])S(=O)(=O)Nc1ccc([NH+]2CCCCC2)cc1 ZINC000088474047 185252366 /nfs/dbraw/zinc/25/23/66/185252366.db2.gz GIEWKYNGAVAZDI-OAHLLOKOSA-N 2 2 311.451 2.156 10 0 DEAELP Nc1c[nH+]ccc1N1CC[NH+](Cc2ccncc2Cl)CC1 ZINC000088781918 185265685 /nfs/dbraw/zinc/26/56/85/185265685.db2.gz KAXQGVGICMZMJD-UHFFFAOYSA-N 2 2 303.797 2.034 10 0 DEAELP Nc1ccc(N2CC[NH+](Cc3ccncc3Cl)CC2)c[nH+]1 ZINC000088781915 185265715 /nfs/dbraw/zinc/26/57/15/185265715.db2.gz MGRDZPDAMZXSRD-UHFFFAOYSA-N 2 2 303.797 2.034 10 0 DEAELP CCc1[nH+]ccn1-c1cc2c(cc1Br)[C@@H]([NH3+])C(=O)N2 ZINC000092776212 185339906 /nfs/dbraw/zinc/33/99/06/185339906.db2.gz LWZZDYBZQWWWML-GFCCVEGCSA-N 2 2 321.178 2.149 10 0 DEAELP CC[C@@H]([NH3+])[C@H](c1ccc(C)s1)[NH+]1CCC(NC(C)=O)CC1 ZINC000133705462 186008984 /nfs/dbraw/zinc/00/89/84/186008984.db2.gz QOCIHWHZHIFPLE-GDBMZVCRSA-N 2 2 309.479 2.435 10 0 DEAELP Cc1ccc([C@@H](O)c2c(Cl)cnn2CC[NH+](C)C)c(C)[nH+]1 ZINC000140167391 186025945 /nfs/dbraw/zinc/02/59/45/186025945.db2.gz RCAXQVQILZGYPR-OAHLLOKOSA-N 2 2 308.813 2.192 10 0 DEAELP O[C@@H](C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)C(F)(F)F ZINC000181681802 356091036 /nfs/dbraw/zinc/09/10/36/356091036.db2.gz VJCQORFAGLHTQF-KBPBESRZSA-N 2 2 308.388 2.498 10 0 DEAELP O[C@@H](C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)C(F)(F)F ZINC000181681802 356091041 /nfs/dbraw/zinc/09/10/41/356091041.db2.gz VJCQORFAGLHTQF-KBPBESRZSA-N 2 2 308.388 2.498 10 0 DEAELP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(C(=O)OCc3ccccc3)C2)C1 ZINC000401950206 283162166 /nfs/dbraw/zinc/16/21/66/283162166.db2.gz UDYKXRHWRSONBN-IRXDYDNUSA-N 2 2 317.433 2.081 10 0 DEAELP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCN(C(=O)OCc3ccccc3)C2)C1 ZINC000401950206 283162168 /nfs/dbraw/zinc/16/21/68/283162168.db2.gz UDYKXRHWRSONBN-IRXDYDNUSA-N 2 2 317.433 2.081 10 0 DEAELP C[C@H]1C[C@H]([NH+](C)CC(=O)N(C2CC2)C2CCCC2)CC[N@@H+]1C ZINC000123519219 291124809 /nfs/dbraw/zinc/12/48/09/291124809.db2.gz QHOXCRGBLBGDSW-WMLDXEAASA-N 2 2 307.482 2.335 10 0 DEAELP C[C@H]1C[C@H]([NH+](C)CC(=O)N(C2CC2)C2CCCC2)CC[N@H+]1C ZINC000123519219 291124813 /nfs/dbraw/zinc/12/48/13/291124813.db2.gz QHOXCRGBLBGDSW-WMLDXEAASA-N 2 2 307.482 2.335 10 0 DEAELP C[C@H]1C[C@H]([N@H+](C)CC(=O)N(C2CC2)C2CCCC2)CC[NH+]1C ZINC000123519219 291124816 /nfs/dbraw/zinc/12/48/16/291124816.db2.gz QHOXCRGBLBGDSW-WMLDXEAASA-N 2 2 307.482 2.335 10 0 DEAELP C[C@H]1C[C@H]([N@@H+](C)CC(=O)N(C2CC2)C2CCCC2)CC[NH+]1C ZINC000123519219 291124819 /nfs/dbraw/zinc/12/48/19/291124819.db2.gz QHOXCRGBLBGDSW-WMLDXEAASA-N 2 2 307.482 2.335 10 0 DEAELP Cc1cc(C[NH2+]C[C@@H]2C[N@H+](C)CCN2Cc2ccccc2)ccn1 ZINC000623574664 365085865 /nfs/dbraw/zinc/08/58/65/365085865.db2.gz TVLSCQMEANGYFL-HXUWFJFHSA-N 2 2 324.472 2.296 10 0 DEAELP Cc1cc(C[NH2+]C[C@@H]2C[N@@H+](C)CCN2Cc2ccccc2)ccn1 ZINC000623574664 365085867 /nfs/dbraw/zinc/08/58/67/365085867.db2.gz TVLSCQMEANGYFL-HXUWFJFHSA-N 2 2 324.472 2.296 10 0 DEAELP CCN(CC)C(=O)C[C@@H](C[NH3+])[N@H+](C)Cc1ccc(Cl)cc1 ZINC000091322728 193040730 /nfs/dbraw/zinc/04/07/30/193040730.db2.gz MNXMARGXKCSSKP-HNNXBMFYSA-N 2 2 311.857 2.358 10 0 DEAELP CCN(CC)C(=O)C[C@@H](C[NH3+])[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000091322728 193040732 /nfs/dbraw/zinc/04/07/32/193040732.db2.gz MNXMARGXKCSSKP-HNNXBMFYSA-N 2 2 311.857 2.358 10 0 DEAELP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](Cc1cnn(Cc3ccccc3)c1)C2 ZINC000629662557 367292414 /nfs/dbraw/zinc/29/24/14/367292414.db2.gz DBZRPVRYPQKBRR-KDURUIRLSA-N 2 2 310.445 2.363 10 0 DEAELP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](Cc1cnn(Cc3ccccc3)c1)C2 ZINC000629662557 367292421 /nfs/dbraw/zinc/29/24/21/367292421.db2.gz DBZRPVRYPQKBRR-KDURUIRLSA-N 2 2 310.445 2.363 10 0 DEAELP C[N@H+](CC(C)(C)O)[C@H](C[NH3+])c1cccc(Br)c1 ZINC000092958495 193188665 /nfs/dbraw/zinc/18/86/65/193188665.db2.gz CBCRLRFIUPJVRJ-GFCCVEGCSA-N 2 2 301.228 2.152 10 0 DEAELP C[N@@H+](CC(C)(C)O)[C@H](C[NH3+])c1cccc(Br)c1 ZINC000092958495 193188666 /nfs/dbraw/zinc/18/86/66/193188666.db2.gz CBCRLRFIUPJVRJ-GFCCVEGCSA-N 2 2 301.228 2.152 10 0 DEAELP C[C@@H]1C[C@H]([NH+](C)Cc2cn(C)nc2-c2ccncc2)CC[N@@H+]1C ZINC000093644849 193281050 /nfs/dbraw/zinc/28/10/50/193281050.db2.gz SRCBLBNNVNANHI-RHSMWYFYSA-N 2 2 313.449 2.397 10 0 DEAELP C[C@@H]1C[C@H]([NH+](C)Cc2cn(C)nc2-c2ccncc2)CC[N@H+]1C ZINC000093644849 193281052 /nfs/dbraw/zinc/28/10/52/193281052.db2.gz SRCBLBNNVNANHI-RHSMWYFYSA-N 2 2 313.449 2.397 10 0 DEAELP C[C@@H]1C[C@H]([N@H+](C)Cc2cn(C)nc2-c2ccncc2)CC[NH+]1C ZINC000093644849 193281053 /nfs/dbraw/zinc/28/10/53/193281053.db2.gz SRCBLBNNVNANHI-RHSMWYFYSA-N 2 2 313.449 2.397 10 0 DEAELP C[C@@H]1C[C@H]([N@@H+](C)Cc2cn(C)nc2-c2ccncc2)CC[NH+]1C ZINC000093644849 193281055 /nfs/dbraw/zinc/28/10/55/193281055.db2.gz SRCBLBNNVNANHI-RHSMWYFYSA-N 2 2 313.449 2.397 10 0 DEAELP C[NH2+][C@@H](Cc1csc2ccccc12)[C@@H]1C[N@H+](C)CCN1C ZINC000093894372 193324325 /nfs/dbraw/zinc/32/43/25/193324325.db2.gz REZTZWMFEFAOAL-HOTGVXAUSA-N 2 2 303.475 2.278 10 0 DEAELP C[NH2+][C@@H](Cc1csc2ccccc12)[C@@H]1C[N@@H+](C)CCN1C ZINC000093894372 193324327 /nfs/dbraw/zinc/32/43/27/193324327.db2.gz REZTZWMFEFAOAL-HOTGVXAUSA-N 2 2 303.475 2.278 10 0 DEAELP COc1ccc(Cl)cc1C[C@@H]([NH3+])[C@H]1C[N@@H+](C(C)C)CCO1 ZINC000093925748 193328718 /nfs/dbraw/zinc/32/87/18/193328718.db2.gz SUKROIKBYYFKFX-GDBMZVCRSA-N 2 2 312.841 2.328 10 0 DEAELP COc1ccc(Cl)cc1C[C@@H]([NH3+])[C@H]1C[N@H+](C(C)C)CCO1 ZINC000093925748 193328720 /nfs/dbraw/zinc/32/87/20/193328720.db2.gz SUKROIKBYYFKFX-GDBMZVCRSA-N 2 2 312.841 2.328 10 0 DEAELP CC[C@H](CC[NH3+])[NH+]1CCN(c2ncc(Cl)cc2F)CC1 ZINC000094051890 193341779 /nfs/dbraw/zinc/34/17/79/193341779.db2.gz BGIPVGHSTNRDLY-GFCCVEGCSA-N 2 2 300.809 2.124 10 0 DEAELP CC(C)[NH2+]C[C@@H]1CCC[N@@H+]([C@@H]2CCC[C@H](S(C)(=O)=O)C2)C1 ZINC000094638663 193388115 /nfs/dbraw/zinc/38/81/15/193388115.db2.gz COFXGFADQFWDQA-XHSDSOJGSA-N 2 2 316.511 2.052 10 0 DEAELP CC(C)[NH2+]C[C@@H]1CCC[N@H+]([C@@H]2CCC[C@H](S(C)(=O)=O)C2)C1 ZINC000094638663 193388116 /nfs/dbraw/zinc/38/81/16/193388116.db2.gz COFXGFADQFWDQA-XHSDSOJGSA-N 2 2 316.511 2.052 10 0 DEAELP CC[NH2+][C@@H](Cc1[nH+]cc(C)c(OC)c1C)[C@@H]1CSCCO1 ZINC000094503457 193374484 /nfs/dbraw/zinc/37/44/84/193374484.db2.gz ZDDDAWZLVGYGBO-GJZGRUSLSA-N 2 2 310.463 2.360 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CC[N@H+](C)[C@H](C)[C@H]1C)C2 ZINC000530289638 284396499 /nfs/dbraw/zinc/39/64/99/284396499.db2.gz FKVROCGMKNQUAX-MGPQQGTHSA-N 2 2 318.465 2.189 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C)C2 ZINC000530289638 284396502 /nfs/dbraw/zinc/39/65/02/284396502.db2.gz FKVROCGMKNQUAX-MGPQQGTHSA-N 2 2 318.465 2.189 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CC[N@H+](C)[C@H](C)[C@H]1C)CC2 ZINC000530289638 284396504 /nfs/dbraw/zinc/39/65/04/284396504.db2.gz FKVROCGMKNQUAX-MGPQQGTHSA-N 2 2 318.465 2.189 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C)CC2 ZINC000530289638 284396506 /nfs/dbraw/zinc/39/65/06/284396506.db2.gz FKVROCGMKNQUAX-MGPQQGTHSA-N 2 2 318.465 2.189 10 0 DEAELP [NH3+]CCC[NH+]1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000019688195 182136667 /nfs/dbraw/zinc/13/66/67/182136667.db2.gz IRRFNUOLUAVSDC-UHFFFAOYSA-N 2 2 302.249 2.460 10 0 DEAELP CC[C@@H]([NH3+])[C@H](c1ccc(C)s1)[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000043240631 183345732 /nfs/dbraw/zinc/34/57/32/183345732.db2.gz NTLGGNCZQGRULR-UMVBOHGHSA-N 2 2 309.479 2.388 10 0 DEAELP CC[C@@H]([NH3+])[C@H](c1ccc(C)s1)[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000043240631 183345735 /nfs/dbraw/zinc/34/57/35/183345735.db2.gz NTLGGNCZQGRULR-UMVBOHGHSA-N 2 2 309.479 2.388 10 0 DEAELP c1cn(C2CC[NH+](Cc3cnn(-c4ccccc4)n3)CC2)c[nH+]1 ZINC000109796201 194287197 /nfs/dbraw/zinc/28/71/97/194287197.db2.gz OEUXJYWYBWMKGO-UHFFFAOYSA-N 2 2 308.389 2.301 10 0 DEAELP CC[C@@H]1CN(Cc2c[nH+]c3c(C)cccn23)CC[N@@H+]1CCOC ZINC000120950267 195269653 /nfs/dbraw/zinc/26/96/53/195269653.db2.gz VORGCJGCSSFQRS-MRXNPFEDSA-N 2 2 316.449 2.185 10 0 DEAELP CCc1nc([C@H]2C[NH+]3CCN2CC3)sc1C[NH2+]CC(C)C ZINC000127617643 195893613 /nfs/dbraw/zinc/89/36/13/195893613.db2.gz DWIYAVCNBNMSNU-CQSZACIVSA-N 2 2 308.495 2.123 10 0 DEAELP Cc1cc(NC(=O)CC[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)no1 ZINC000246345038 145099602 /nfs/dbraw/zinc/09/96/02/145099602.db2.gz VEYHOUNCJAYRDI-OCCSQVGLSA-N 2 2 317.393 2.091 10 0 DEAELP Cc1cc(NC(=O)CC[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)no1 ZINC000246345038 145099603 /nfs/dbraw/zinc/09/96/03/145099603.db2.gz VEYHOUNCJAYRDI-OCCSQVGLSA-N 2 2 317.393 2.091 10 0 DEAELP COc1ccc(C)cc1NC(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246518712 145105697 /nfs/dbraw/zinc/10/56/97/145105697.db2.gz BRLJHNIURDKWOB-GJZGRUSLSA-N 2 2 319.449 2.357 10 0 DEAELP COc1ccc(C)cc1NC(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246518712 145105698 /nfs/dbraw/zinc/10/56/98/145105698.db2.gz BRLJHNIURDKWOB-GJZGRUSLSA-N 2 2 319.449 2.357 10 0 DEAELP COc1ccc(C)cc1NC(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246518712 145105699 /nfs/dbraw/zinc/10/56/99/145105699.db2.gz BRLJHNIURDKWOB-GJZGRUSLSA-N 2 2 319.449 2.357 10 0 DEAELP COc1ccc(C)cc1NC(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246518712 145105700 /nfs/dbraw/zinc/10/57/00/145105700.db2.gz BRLJHNIURDKWOB-GJZGRUSLSA-N 2 2 319.449 2.357 10 0 DEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)N2CCC[C@@H](C)C2)C1 ZINC000247394207 145136099 /nfs/dbraw/zinc/13/60/99/145136099.db2.gz XOBWFMNUWIAWJA-CVEARBPZSA-N 2 2 318.465 2.341 10 0 DEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)N2CCC[C@@H](C)C2)C1 ZINC000247394207 145136100 /nfs/dbraw/zinc/13/61/00/145136100.db2.gz XOBWFMNUWIAWJA-CVEARBPZSA-N 2 2 318.465 2.341 10 0 DEAELP C[C@H](C(=O)NCc1ccccc1Cl)[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261638746 145212374 /nfs/dbraw/zinc/21/23/74/145212374.db2.gz DIPSHJOKKNFVSN-DOMZBBRYSA-N 2 2 323.868 2.404 10 0 DEAELP C[C@H](C(=O)NCc1ccccc1Cl)[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261638746 145212376 /nfs/dbraw/zinc/21/23/76/145212376.db2.gz DIPSHJOKKNFVSN-DOMZBBRYSA-N 2 2 323.868 2.404 10 0 DEAELP CCc1ccc([C@H](C)NC(=O)C[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000261798737 145227356 /nfs/dbraw/zinc/22/73/56/145227356.db2.gz NZJMJULIAPWOEP-WMLDXEAASA-N 2 2 317.477 2.485 10 0 DEAELP CCc1ccc([C@H](C)NC(=O)C[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000261798737 145227357 /nfs/dbraw/zinc/22/73/57/145227357.db2.gz NZJMJULIAPWOEP-WMLDXEAASA-N 2 2 317.477 2.485 10 0 DEAELP CCN(Cc1cccc(F)c1)C(=O)C[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261806899 145228388 /nfs/dbraw/zinc/22/83/88/145228388.db2.gz WLSGWVSFRMEHME-INIZCTEOSA-N 2 2 321.440 2.233 10 0 DEAELP CCN(Cc1cccc(F)c1)C(=O)C[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261806899 145228390 /nfs/dbraw/zinc/22/83/90/145228390.db2.gz WLSGWVSFRMEHME-INIZCTEOSA-N 2 2 321.440 2.233 10 0 DEAELP Clc1ccc(C[N@H+](C2CC2)[C@@H]2CC[NH2+]C2)c(-n2cncn2)c1 ZINC000261922905 145242451 /nfs/dbraw/zinc/24/24/51/145242451.db2.gz KRNQOIHTRFIYFR-OAHLLOKOSA-N 2 2 317.824 2.247 10 0 DEAELP Clc1ccc(C[N@@H+](C2CC2)[C@@H]2CC[NH2+]C2)c(-n2cncn2)c1 ZINC000261922905 145242453 /nfs/dbraw/zinc/24/24/53/145242453.db2.gz KRNQOIHTRFIYFR-OAHLLOKOSA-N 2 2 317.824 2.247 10 0 DEAELP CCO[C@@H]1C[C@H]([N@H+](C)Cc2noc(C[NH3+])n2)C12CCCCC2 ZINC000262277364 145272904 /nfs/dbraw/zinc/27/29/04/145272904.db2.gz UAVDLSJXMRPMKA-QWHCGFSZSA-N 2 2 308.426 2.088 10 0 DEAELP CCO[C@@H]1C[C@H]([N@@H+](C)Cc2noc(C[NH3+])n2)C12CCCCC2 ZINC000262277364 145272906 /nfs/dbraw/zinc/27/29/06/145272906.db2.gz UAVDLSJXMRPMKA-QWHCGFSZSA-N 2 2 308.426 2.088 10 0 DEAELP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2nc(C)cs2)nc[nH+]1 ZINC000117385433 401875942 /nfs/dbraw/zinc/87/59/42/401875942.db2.gz BAAPVCZTACJVKD-LBPRGKRZSA-N 2 2 318.450 2.042 10 0 DEAELP C[NH+](C)CCOc1cc(CNc2cc[nH+]c(C3CC3)n2)ccn1 ZINC000135375970 401937838 /nfs/dbraw/zinc/93/78/38/401937838.db2.gz RYJLCEAKBFAEHI-UHFFFAOYSA-N 2 2 313.405 2.302 10 0 DEAELP O[C@H](C[NH2+][C@@H]1CCCOc2ccc(F)cc21)C[NH+]1CCCCC1 ZINC000151265793 402026854 /nfs/dbraw/zinc/02/68/54/402026854.db2.gz OXIRZMHPOXTCHU-NVXWUHKLSA-N 2 2 322.424 2.476 10 0 DEAELP C[C@H]1C[C@H]([NH+](C)CC(=O)N(C)Cc2ccc(F)cc2)CC[N@@H+]1C ZINC000123576742 402135793 /nfs/dbraw/zinc/13/57/93/402135793.db2.gz MHGKFQXQUORLER-WMLDXEAASA-N 2 2 321.440 2.199 10 0 DEAELP C[C@H]1C[C@H]([NH+](C)CC(=O)N(C)Cc2ccc(F)cc2)CC[N@H+]1C ZINC000123576742 402135795 /nfs/dbraw/zinc/13/57/95/402135795.db2.gz MHGKFQXQUORLER-WMLDXEAASA-N 2 2 321.440 2.199 10 0 DEAELP C[C@H]1C[C@H]([N@H+](C)CC(=O)N(C)Cc2ccc(F)cc2)CC[NH+]1C ZINC000123576742 402135798 /nfs/dbraw/zinc/13/57/98/402135798.db2.gz MHGKFQXQUORLER-WMLDXEAASA-N 2 2 321.440 2.199 10 0 DEAELP C[C@H]1C[C@H]([N@@H+](C)CC(=O)N(C)Cc2ccc(F)cc2)CC[NH+]1C ZINC000123576742 402135800 /nfs/dbraw/zinc/13/58/00/402135800.db2.gz MHGKFQXQUORLER-WMLDXEAASA-N 2 2 321.440 2.199 10 0 DEAELP CCCc1noc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)n1 ZINC000123836440 402149345 /nfs/dbraw/zinc/14/93/45/402149345.db2.gz BIVROFMVFWOODD-ZDUSSCGKSA-N 2 2 303.410 2.210 10 0 DEAELP CCCc1noc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)n1 ZINC000123836440 402149347 /nfs/dbraw/zinc/14/93/47/402149347.db2.gz BIVROFMVFWOODD-ZDUSSCGKSA-N 2 2 303.410 2.210 10 0 DEAELP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)cc1NC(C)=O ZINC000154609383 402221436 /nfs/dbraw/zinc/22/14/36/402221436.db2.gz AFBONLIWTZTVDP-IUODEOHRSA-N 2 2 305.422 2.398 10 0 DEAELP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)cc1NC(C)=O ZINC000154609383 402221437 /nfs/dbraw/zinc/22/14/37/402221437.db2.gz AFBONLIWTZTVDP-IUODEOHRSA-N 2 2 305.422 2.398 10 0 DEAELP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)[C@@H]1CCOC1 ZINC000126141708 402266371 /nfs/dbraw/zinc/26/63/71/402266371.db2.gz DCPVNGSCYHXZBI-HPFXQQBRSA-N 2 2 303.450 2.307 10 0 DEAELP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)[C@@H]1CCOC1 ZINC000126141708 402266373 /nfs/dbraw/zinc/26/63/73/402266373.db2.gz DCPVNGSCYHXZBI-HPFXQQBRSA-N 2 2 303.450 2.307 10 0 DEAELP CC(C)CCn1cccc1C[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000161766222 402398197 /nfs/dbraw/zinc/39/81/97/402398197.db2.gz MPDDTEHPXYTKOE-SFHVURJKSA-N 2 2 307.482 2.471 10 0 DEAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000163439827 402449946 /nfs/dbraw/zinc/44/99/46/402449946.db2.gz JNFFOEVKVIXLJD-ZFWWWQNUSA-N 2 2 306.406 2.177 10 0 DEAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000163439827 402449948 /nfs/dbraw/zinc/44/99/48/402449948.db2.gz JNFFOEVKVIXLJD-ZFWWWQNUSA-N 2 2 306.406 2.177 10 0 DEAELP [NH3+][C@H]1CCC[C@H](C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000238045266 402434387 /nfs/dbraw/zinc/43/43/87/402434387.db2.gz VAATZUUPYJJHMB-HOTGVXAUSA-N 2 2 316.449 2.206 10 0 DEAELP CC[N@H+](C)[C@H](C(=O)N1CC[NH+]2CCCC[C@H]2C1)c1ccccc1 ZINC000245869455 402492608 /nfs/dbraw/zinc/49/26/08/402492608.db2.gz VQTAGBCKMBXNFC-ROUUACIJSA-N 2 2 315.461 2.376 10 0 DEAELP CC[N@@H+](C)[C@H](C(=O)N1CC[NH+]2CCCC[C@H]2C1)c1ccccc1 ZINC000245869455 402492610 /nfs/dbraw/zinc/49/26/10/402492610.db2.gz VQTAGBCKMBXNFC-ROUUACIJSA-N 2 2 315.461 2.376 10 0 DEAELP CC[NH+](C)[C@H](C(=O)N1CC[N@@H+]2CCCC[C@H]2C1)c1ccccc1 ZINC000245869455 402492612 /nfs/dbraw/zinc/49/26/12/402492612.db2.gz VQTAGBCKMBXNFC-ROUUACIJSA-N 2 2 315.461 2.376 10 0 DEAELP CC[NH+](C)[C@H](C(=O)N1CC[N@H+]2CCCC[C@H]2C1)c1ccccc1 ZINC000245869455 402492614 /nfs/dbraw/zinc/49/26/14/402492614.db2.gz VQTAGBCKMBXNFC-ROUUACIJSA-N 2 2 315.461 2.376 10 0 DEAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000246274631 402522511 /nfs/dbraw/zinc/52/25/11/402522511.db2.gz SEQKASPNFKEMHG-ILXRZTDVSA-N 2 2 311.470 2.314 10 0 DEAELP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000246274631 402522513 /nfs/dbraw/zinc/52/25/13/402522513.db2.gz SEQKASPNFKEMHG-ILXRZTDVSA-N 2 2 311.470 2.314 10 0 DEAELP CC[C@H](C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1)[NH+](C)C ZINC000189416535 402536272 /nfs/dbraw/zinc/53/62/72/402536272.db2.gz ASSVKAPOMMNFGI-MRXNPFEDSA-N 2 2 323.868 2.155 10 0 DEAELP C[C@H](Nc1ccc(OC2CC[NH+](C)CC2)nc1)c1[nH+]ccn1C ZINC000179741983 402599642 /nfs/dbraw/zinc/59/96/42/402599642.db2.gz SJBWSTFHBSBOTR-ZDUSSCGKSA-N 2 2 315.421 2.461 10 0 DEAELP Cc1nc(C)n(C[C@H]2CCC[N@H+](Cc3cccc4[nH+]ccn43)C2)n1 ZINC000180120582 402607881 /nfs/dbraw/zinc/60/78/81/402607881.db2.gz ACSSTYYHFKEZJD-INIZCTEOSA-N 2 2 324.432 2.455 10 0 DEAELP Cc1nc(C)n(C[C@H]2CCC[N@@H+](Cc3cccc4[nH+]ccn43)C2)n1 ZINC000180120582 402607884 /nfs/dbraw/zinc/60/78/84/402607884.db2.gz ACSSTYYHFKEZJD-INIZCTEOSA-N 2 2 324.432 2.455 10 0 DEAELP C[C@H]([NH2+]CC(=O)NCc1ccco1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180659306 402622373 /nfs/dbraw/zinc/62/23/73/402622373.db2.gz ULRXETIXQLSRJI-AWEZNQCLSA-N 2 2 324.384 2.432 10 0 DEAELP CC(C)OC[C@H](O)C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180666334 402622609 /nfs/dbraw/zinc/62/26/09/402622609.db2.gz MVZYDXDTZKJNLX-RHSMWYFYSA-N 2 2 303.406 2.309 10 0 DEAELP CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+][C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000172473278 402658071 /nfs/dbraw/zinc/65/80/71/402658071.db2.gz RFHTZFIQPXHFOJ-GJZGRUSLSA-N 2 2 323.481 2.460 10 0 DEAELP CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+][C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000172473278 402658073 /nfs/dbraw/zinc/65/80/73/402658073.db2.gz RFHTZFIQPXHFOJ-GJZGRUSLSA-N 2 2 323.481 2.460 10 0 DEAELP CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+][C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000172473273 402658143 /nfs/dbraw/zinc/65/81/43/402658143.db2.gz RFHTZFIQPXHFOJ-CABCVRRESA-N 2 2 323.481 2.460 10 0 DEAELP CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+][C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000172473273 402658144 /nfs/dbraw/zinc/65/81/44/402658144.db2.gz RFHTZFIQPXHFOJ-CABCVRRESA-N 2 2 323.481 2.460 10 0 DEAELP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3cocn3)c2)CCO1 ZINC000192296010 402721413 /nfs/dbraw/zinc/72/14/13/402721413.db2.gz QLMTVQWOZKEJJA-CQSZACIVSA-N 2 2 301.390 2.185 10 0 DEAELP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3cocn3)c2)CCO1 ZINC000192296010 402721415 /nfs/dbraw/zinc/72/14/15/402721415.db2.gz QLMTVQWOZKEJJA-CQSZACIVSA-N 2 2 301.390 2.185 10 0 DEAELP c1cn(CCC[N@@H+]2CCCC[C@H]2c2nnc3n2CCCC3)c[nH+]1 ZINC000182744386 402713698 /nfs/dbraw/zinc/71/36/98/402713698.db2.gz KCVLMLWALZVVJO-HNNXBMFYSA-N 2 2 314.437 2.428 10 0 DEAELP c1cn(CCC[N@H+]2CCCC[C@H]2c2nnc3n2CCCC3)c[nH+]1 ZINC000182744386 402713700 /nfs/dbraw/zinc/71/37/00/402713700.db2.gz KCVLMLWALZVVJO-HNNXBMFYSA-N 2 2 314.437 2.428 10 0 DEAELP Cc1nc(C)c(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)s1 ZINC000172797185 402675855 /nfs/dbraw/zinc/67/58/55/402675855.db2.gz IZKWCWOVUJQQNW-MRXNPFEDSA-N 2 2 322.522 2.362 10 0 DEAELP Cc1nc(C)c(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)s1 ZINC000172797185 402675858 /nfs/dbraw/zinc/67/58/58/402675858.db2.gz IZKWCWOVUJQQNW-MRXNPFEDSA-N 2 2 322.522 2.362 10 0 DEAELP CCC[N@H+](CC)CCNC(=O)NCc1[nH+]ccn1CC(C)C ZINC000175568917 402818412 /nfs/dbraw/zinc/81/84/12/402818412.db2.gz GKHYPOXTYHKKCG-UHFFFAOYSA-N 2 2 309.458 2.070 10 0 DEAELP CCC[N@@H+](CC)CCNC(=O)NCc1[nH+]ccn1CC(C)C ZINC000175568917 402818413 /nfs/dbraw/zinc/81/84/13/402818413.db2.gz GKHYPOXTYHKKCG-UHFFFAOYSA-N 2 2 309.458 2.070 10 0 DEAELP O=C(C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)Nc1ccccc1 ZINC000195515721 402848519 /nfs/dbraw/zinc/84/85/19/402848519.db2.gz YZXRIOGFGGPPME-OAHLLOKOSA-N 2 2 310.401 2.454 10 0 DEAELP O=C(C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)Nc1ccccc1 ZINC000195515721 402848520 /nfs/dbraw/zinc/84/85/20/402848520.db2.gz YZXRIOGFGGPPME-OAHLLOKOSA-N 2 2 310.401 2.454 10 0 DEAELP CC(C)c1nnc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)n1C ZINC000195516049 402849347 /nfs/dbraw/zinc/84/93/47/402849347.db2.gz GCMDJTURFOJPSH-CQSZACIVSA-N 2 2 314.437 2.268 10 0 DEAELP CC(C)c1nnc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)n1C ZINC000195516049 402849349 /nfs/dbraw/zinc/84/93/49/402849349.db2.gz GCMDJTURFOJPSH-CQSZACIVSA-N 2 2 314.437 2.268 10 0 DEAELP CCc1nnc(C[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)n1C ZINC000195516358 402849509 /nfs/dbraw/zinc/84/95/09/402849509.db2.gz OUUCJRJAONFYCX-AWEZNQCLSA-N 2 2 314.437 2.015 10 0 DEAELP CCc1nnc(C[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)n1C ZINC000195516358 402849511 /nfs/dbraw/zinc/84/95/11/402849511.db2.gz OUUCJRJAONFYCX-AWEZNQCLSA-N 2 2 314.437 2.015 10 0 DEAELP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCC[N@@H+]2CC)C12CCOCC2 ZINC000248907275 286283586 /nfs/dbraw/zinc/28/35/86/286283586.db2.gz BJUSWLLHUFAGHO-GVDBMIGSSA-N 2 2 310.482 2.425 10 0 DEAELP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCC[N@H+]2CC)C12CCOCC2 ZINC000248907275 286283587 /nfs/dbraw/zinc/28/35/87/286283587.db2.gz BJUSWLLHUFAGHO-GVDBMIGSSA-N 2 2 310.482 2.425 10 0 DEAELP c1cn(Cc2ccccc2)c(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)n1 ZINC000566590957 292253999 /nfs/dbraw/zinc/25/39/99/292253999.db2.gz NSVDJOFGPJBZKB-OAHLLOKOSA-N 2 2 307.401 2.302 10 0 DEAELP c1cn(Cc2ccccc2)c(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)n1 ZINC000566590957 292254000 /nfs/dbraw/zinc/25/40/00/292254000.db2.gz NSVDJOFGPJBZKB-OAHLLOKOSA-N 2 2 307.401 2.302 10 0 DEAELP Cc1[nH+]ccn1CCC[N@@H+]1CCn2c(C(C)C)nnc2[C@@H]1C ZINC000364751094 404528017 /nfs/dbraw/zinc/52/80/17/404528017.db2.gz VXYCEMMHMWQIGV-ZDUSSCGKSA-N 2 2 302.426 2.373 10 0 DEAELP Cc1[nH+]ccn1CCC[N@H+]1CCn2c(C(C)C)nnc2[C@@H]1C ZINC000364751094 404528023 /nfs/dbraw/zinc/52/80/23/404528023.db2.gz VXYCEMMHMWQIGV-ZDUSSCGKSA-N 2 2 302.426 2.373 10 0 DEAELP Cc1nnc([C@H](C)[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)o1 ZINC000371523219 404464879 /nfs/dbraw/zinc/46/48/79/404464879.db2.gz HFPSEYRFWDXUQG-IHRRRGAJSA-N 2 2 322.453 2.260 10 0 DEAELP CC(C)OC[C@H](O)C[NH2+]C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000379633289 405027491 /nfs/dbraw/zinc/02/74/91/405027491.db2.gz TZPIHGKBOJFGJW-RTBURBONSA-N 2 2 320.477 2.417 10 0 DEAELP CC(C)OC[C@H](O)C[NH2+]C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000379633289 405027495 /nfs/dbraw/zinc/02/74/95/405027495.db2.gz TZPIHGKBOJFGJW-RTBURBONSA-N 2 2 320.477 2.417 10 0 DEAELP CCOC[C@@H](O)C[NH2+]C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000379651470 405027561 /nfs/dbraw/zinc/02/75/61/405027561.db2.gz UNVWWDYLQISPCG-MSOLQXFVSA-N 2 2 306.450 2.028 10 0 DEAELP CCOC[C@@H](O)C[NH2+]C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000379651470 405027566 /nfs/dbraw/zinc/02/75/66/405027566.db2.gz UNVWWDYLQISPCG-MSOLQXFVSA-N 2 2 306.450 2.028 10 0 DEAELP c1nnn(-c2ccccc2)c1C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000367378973 405032124 /nfs/dbraw/zinc/03/21/24/405032124.db2.gz WRBLFSARJMPGGY-UHFFFAOYSA-N 2 2 308.389 2.370 10 0 DEAELP COC1([C@H](C)[NH2+]CCCCNc2cccc[nH+]2)CCOCC1 ZINC000453099711 405284228 /nfs/dbraw/zinc/28/42/28/405284228.db2.gz WUZUTXZQUANBBS-HNNXBMFYSA-N 2 2 307.438 2.447 10 0 DEAELP Cc1nc(C[NH2+]C2CC[NH+](C)CC2)sc1Br ZINC000449399922 405547769 /nfs/dbraw/zinc/54/77/69/405547769.db2.gz FOXBXHXAXRKYKH-UHFFFAOYSA-N 2 2 304.257 2.398 10 0 DEAELP c1cc2c(cc1[C@@H]1CCC[N@H+]1CC13CC(C1)C[NH2+]3)OCCO2 ZINC000634991880 406389608 /nfs/dbraw/zinc/38/96/08/406389608.db2.gz VHIJWKXEPGCXAK-DBQDNQAGSA-N 2 2 300.402 2.347 10 0 DEAELP c1cc2c(cc1[C@@H]1CCC[N@@H+]1CC13CC(C1)C[NH2+]3)OCCO2 ZINC000634991880 406389610 /nfs/dbraw/zinc/38/96/10/406389610.db2.gz VHIJWKXEPGCXAK-DBQDNQAGSA-N 2 2 300.402 2.347 10 0 DEAELP c1cc(N2CCCCCC2)ncc1C[NH2+]CC12CC(C1)C[NH2+]2 ZINC000634995479 406389843 /nfs/dbraw/zinc/38/98/43/406389843.db2.gz GJTVPWHCIVZZFT-UHFFFAOYSA-N 2 2 300.450 2.304 10 0 DEAELP Cc1[nH+]c2ccccc2n1CCC(=O)N(C)CCC[NH+](C)C ZINC000547805696 406449607 /nfs/dbraw/zinc/44/96/07/406449607.db2.gz LSXMGYXJSLTEOL-UHFFFAOYSA-N 2 2 302.422 2.145 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@H](C)Cn1cc[nH+]c1)C2 ZINC000526983342 406563853 /nfs/dbraw/zinc/56/38/53/406563853.db2.gz UPIUAPRUZKOIFB-OLZOCXBDSA-N 2 2 315.421 2.039 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@H](C)Cn1cc[nH+]c1)CC2 ZINC000526983342 406563855 /nfs/dbraw/zinc/56/38/55/406563855.db2.gz UPIUAPRUZKOIFB-OLZOCXBDSA-N 2 2 315.421 2.039 10 0 DEAELP C[N@H+](CC[C@@H]1COCC[NH2+]1)Cc1ccc(Br)cc1 ZINC000129401712 196044622 /nfs/dbraw/zinc/04/46/22/196044622.db2.gz LYYDIZWFSHKUNO-CQSZACIVSA-N 2 2 313.239 2.259 10 0 DEAELP C[N@@H+](CC[C@@H]1COCC[NH2+]1)Cc1ccc(Br)cc1 ZINC000129401712 196044624 /nfs/dbraw/zinc/04/46/24/196044624.db2.gz LYYDIZWFSHKUNO-CQSZACIVSA-N 2 2 313.239 2.259 10 0 DEAELP C[N@H+](CC[C@@H]1COCC[NH2+]1)Cc1cccc(Br)c1 ZINC000129402235 196045108 /nfs/dbraw/zinc/04/51/08/196045108.db2.gz JVVXCUHLBKHVSJ-CQSZACIVSA-N 2 2 313.239 2.259 10 0 DEAELP C[N@@H+](CC[C@@H]1COCC[NH2+]1)Cc1cccc(Br)c1 ZINC000129402235 196045109 /nfs/dbraw/zinc/04/51/09/196045109.db2.gz JVVXCUHLBKHVSJ-CQSZACIVSA-N 2 2 313.239 2.259 10 0 DEAELP COC[C@@H](C)[C@H](C[NH3+])[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000131927756 196210772 /nfs/dbraw/zinc/21/07/72/196210772.db2.gz RPBLDIDJDGVALO-CJNGLKHVSA-N 2 2 311.857 2.072 10 0 DEAELP COC[C@@H](C)[C@H](C[NH3+])[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000131936919 196211501 /nfs/dbraw/zinc/21/15/01/196211501.db2.gz XHXXGZFWECUMHB-CJNGLKHVSA-N 2 2 311.857 2.072 10 0 DEAELP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1ccccc1Br ZINC000311090517 424894557 /nfs/dbraw/zinc/89/45/57/424894557.db2.gz ICKJDSBQXRLEGG-NEPJUHHUSA-N 2 2 315.255 2.412 10 0 DEAELP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1ccccc1Br ZINC000311090517 424894559 /nfs/dbraw/zinc/89/45/59/424894559.db2.gz ICKJDSBQXRLEGG-NEPJUHHUSA-N 2 2 315.255 2.412 10 0 DEAELP C[NH+](C)[C@@H]1CC[C@@H](NC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)C1 ZINC000341603195 276838628 /nfs/dbraw/zinc/83/86/28/276838628.db2.gz FUQRRJZYHWRYQD-MCIONIFRSA-N 2 2 305.426 2.129 10 0 DEAELP COc1cccc2c(N3CC[N@@H+]4CCOC[C@@H]4C3)cc(C)[nH+]c12 ZINC000374908162 278023877 /nfs/dbraw/zinc/02/38/77/278023877.db2.gz GTMCROYXONRGEY-AWEZNQCLSA-N 2 2 313.401 2.073 10 0 DEAELP COc1cccc2c(N3CC[N@H+]4CCOC[C@@H]4C3)cc(C)[nH+]c12 ZINC000374908162 278023879 /nfs/dbraw/zinc/02/38/79/278023879.db2.gz GTMCROYXONRGEY-AWEZNQCLSA-N 2 2 313.401 2.073 10 0 DEAELP CC1(C)OCC[C@H]1[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000294384154 527810768 /nfs/dbraw/zinc/81/07/68/527810768.db2.gz RNQDRNOERYQYAX-ZWKOTPCHSA-N 2 2 318.461 2.435 10 0 DEAELP CC1(C)OCC[C@H]1[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000294384154 527810771 /nfs/dbraw/zinc/81/07/71/527810771.db2.gz RNQDRNOERYQYAX-ZWKOTPCHSA-N 2 2 318.461 2.435 10 0 DEAELP CCC[C@@H](NC(=O)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)c1ccccc1 ZINC000193635193 535353530 /nfs/dbraw/zinc/35/35/30/535353530.db2.gz ZIAGOWUXMUADFG-FGTMMUONSA-N 2 2 315.461 2.137 10 0 DEAELP CCC[C@@H](NC(=O)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)c1ccccc1 ZINC000193635193 535353534 /nfs/dbraw/zinc/35/35/34/535353534.db2.gz ZIAGOWUXMUADFG-FGTMMUONSA-N 2 2 315.461 2.137 10 0 DEAELP CCC[C@@H](NC(=O)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1)c1ccccc1 ZINC000193635193 535353536 /nfs/dbraw/zinc/35/35/36/535353536.db2.gz ZIAGOWUXMUADFG-FGTMMUONSA-N 2 2 315.461 2.137 10 0 DEAELP CCC[C@@H](NC(=O)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1)c1ccccc1 ZINC000193635193 535353540 /nfs/dbraw/zinc/35/35/40/535353540.db2.gz ZIAGOWUXMUADFG-FGTMMUONSA-N 2 2 315.461 2.137 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N(C)[C@@H]1CCC[N@H+](C)C1)C2 ZINC000375264365 535381560 /nfs/dbraw/zinc/38/15/60/535381560.db2.gz YUBIGSIMESJPDJ-ZIAGYGMSSA-N 2 2 318.465 2.191 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N(C)[C@@H]1CCC[N@@H+](C)C1)C2 ZINC000375264365 535381562 /nfs/dbraw/zinc/38/15/62/535381562.db2.gz YUBIGSIMESJPDJ-ZIAGYGMSSA-N 2 2 318.465 2.191 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N(C)[C@@H]1CCC[N@H+](C)C1)CC2 ZINC000375264365 535381563 /nfs/dbraw/zinc/38/15/63/535381563.db2.gz YUBIGSIMESJPDJ-ZIAGYGMSSA-N 2 2 318.465 2.191 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N(C)[C@@H]1CCC[N@@H+](C)C1)CC2 ZINC000375264365 535381565 /nfs/dbraw/zinc/38/15/65/535381565.db2.gz YUBIGSIMESJPDJ-ZIAGYGMSSA-N 2 2 318.465 2.191 10 0 DEAELP CNC(=O)c1ccc(C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000247794809 536423878 /nfs/dbraw/zinc/42/38/78/536423878.db2.gz ZLXQTFDDLIQUDF-RHSMWYFYSA-N 2 2 312.417 2.326 10 0 DEAELP CNC(=O)c1ccc(C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000247794809 536423880 /nfs/dbraw/zinc/42/38/80/536423880.db2.gz ZLXQTFDDLIQUDF-RHSMWYFYSA-N 2 2 312.417 2.326 10 0 DEAELP COC(=O)[C@H](C1CC1)[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000359604817 536645530 /nfs/dbraw/zinc/64/55/30/536645530.db2.gz FFLHZFQDSLVXIB-WBVHZDCISA-N 2 2 308.466 2.382 10 0 DEAELP COC(=O)[C@H](C1CC1)[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000359604817 536645537 /nfs/dbraw/zinc/64/55/37/536645537.db2.gz FFLHZFQDSLVXIB-WBVHZDCISA-N 2 2 308.466 2.382 10 0 DEAELP C/C(=C/C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)C1CC1 ZINC000255550108 625046374 /nfs/dbraw/zinc/04/63/74/625046374.db2.gz UDBZLYWRHNQJFZ-PEZBUJJGSA-N 2 2 319.493 2.409 10 0 DEAELP CC(C)C[C@@H](C[NH2+]CC1CN(C(=O)OC(C)(C)C)C1)[NH+](C)C ZINC000710871865 1086689800 /nfs/dbraw/zinc/68/98/00/1086689800.db2.gz BZYNJOWAEKBCES-HNNXBMFYSA-N 2 2 313.486 2.419 10 0 DEAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCCC1=CCCC1 ZINC000152115763 282135061 /nfs/dbraw/zinc/13/50/61/282135061.db2.gz JLYRXFHKLVSBML-UHFFFAOYSA-N 2 2 322.497 2.154 10 0 DEAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCCC1=CCCC1 ZINC000152115763 282135068 /nfs/dbraw/zinc/13/50/68/282135068.db2.gz JLYRXFHKLVSBML-UHFFFAOYSA-N 2 2 322.497 2.154 10 0 DEAELP CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2C[N@@H+]1CC(=O)Nc1cccc(Cl)c1 ZINC000090332913 185291497 /nfs/dbraw/zinc/29/14/97/185291497.db2.gz PMBLWQIVEMCHGV-KCPJHIHWSA-N 2 2 307.825 2.208 10 0 DEAELP CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2C[N@H+]1CC(=O)Nc1cccc(Cl)c1 ZINC000090332913 185291498 /nfs/dbraw/zinc/29/14/98/185291498.db2.gz PMBLWQIVEMCHGV-KCPJHIHWSA-N 2 2 307.825 2.208 10 0 DEAELP CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2C[N@@H+]1Cc1nc(-c2ccsc2)no1 ZINC000090333415 185291519 /nfs/dbraw/zinc/29/15/19/185291519.db2.gz XNSDHPFRUZFRNI-FRRDWIJNSA-N 2 2 304.419 2.228 10 0 DEAELP CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2C[N@H+]1Cc1nc(-c2ccsc2)no1 ZINC000090333415 185291520 /nfs/dbraw/zinc/29/15/20/185291520.db2.gz XNSDHPFRUZFRNI-FRRDWIJNSA-N 2 2 304.419 2.228 10 0 DEAELP C[NH2+][C@@H]1COC[C@@H]1C[N@H+](C)Cc1ccccc1Br ZINC000090438777 185296467 /nfs/dbraw/zinc/29/64/67/185296467.db2.gz HDSVWQMJSWERLD-GXTWGEPZSA-N 2 2 313.239 2.115 10 0 DEAELP C[NH2+][C@@H]1COC[C@@H]1C[N@@H+](C)Cc1ccccc1Br ZINC000090438777 185296468 /nfs/dbraw/zinc/29/64/68/185296468.db2.gz HDSVWQMJSWERLD-GXTWGEPZSA-N 2 2 313.239 2.115 10 0 DEAELP C[C@H](c1cccc(Cl)c1)N(C)C(=O)C[NH+]1CCC([NH3+])CC1 ZINC000092714320 185335721 /nfs/dbraw/zinc/33/57/21/185335721.db2.gz OXXCSYHYUBDWDV-GFCCVEGCSA-N 2 2 309.841 2.283 10 0 DEAELP C[N@@H+]1C[C@@H](C(=O)Nc2cccc3[nH+]ccn32)[C@H](C(F)(F)F)C1 ZINC000299745609 529816742 /nfs/dbraw/zinc/81/67/42/529816742.db2.gz RJHZLCWORARJFD-NXEZZACHSA-N 2 2 312.295 2.013 10 0 DEAELP C[N@H+]1C[C@@H](C(=O)Nc2cccc3[nH+]ccn32)[C@H](C(F)(F)F)C1 ZINC000299745609 529816743 /nfs/dbraw/zinc/81/67/43/529816743.db2.gz RJHZLCWORARJFD-NXEZZACHSA-N 2 2 312.295 2.013 10 0 DEAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](CCCn2ccnc2)C1 ZINC000195298648 530006681 /nfs/dbraw/zinc/00/66/81/530006681.db2.gz FCIOOLZINYTXST-GOSISDBHSA-N 2 2 313.449 2.122 10 0 DEAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](CCCn2ccnc2)C1 ZINC000195298648 530006682 /nfs/dbraw/zinc/00/66/82/530006682.db2.gz FCIOOLZINYTXST-GOSISDBHSA-N 2 2 313.449 2.122 10 0 DEAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](CCCn2ccnc2)C1 ZINC000195298648 530006684 /nfs/dbraw/zinc/00/66/84/530006684.db2.gz FCIOOLZINYTXST-GOSISDBHSA-N 2 2 313.449 2.122 10 0 DEAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](CCCn2ccnc2)C1 ZINC000195298648 530006685 /nfs/dbraw/zinc/00/66/85/530006685.db2.gz FCIOOLZINYTXST-GOSISDBHSA-N 2 2 313.449 2.122 10 0 DEAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](CCCn2cc[nH+]c2)C1 ZINC000195298648 530006687 /nfs/dbraw/zinc/00/66/87/530006687.db2.gz FCIOOLZINYTXST-GOSISDBHSA-N 3 2 313.449 2.122 10 0 DEAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](CCCn2cc[nH+]c2)C1 ZINC000195298648 530006688 /nfs/dbraw/zinc/00/66/88/530006688.db2.gz FCIOOLZINYTXST-GOSISDBHSA-N 3 2 313.449 2.122 10 0 DEAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000195298648 530006690 /nfs/dbraw/zinc/00/66/90/530006690.db2.gz FCIOOLZINYTXST-GOSISDBHSA-N 3 2 313.449 2.122 10 0 DEAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000195298648 530006692 /nfs/dbraw/zinc/00/66/92/530006692.db2.gz FCIOOLZINYTXST-GOSISDBHSA-N 3 2 313.449 2.122 10 0 DEAELP Cc1cc(C)n2c(C[N@@H+]3CCC[C@H]3Cn3cc[nH+]c3)cnc2n1 ZINC000097103948 539434848 /nfs/dbraw/zinc/43/48/48/539434848.db2.gz VTDFSMPZYMXOGE-HNNXBMFYSA-N 2 2 310.405 2.207 10 0 DEAELP Cc1cc(C)n2c(C[N@H+]3CCC[C@H]3Cn3cc[nH+]c3)cnc2n1 ZINC000097103948 539434853 /nfs/dbraw/zinc/43/48/53/539434853.db2.gz VTDFSMPZYMXOGE-HNNXBMFYSA-N 2 2 310.405 2.207 10 0 DEAELP CCc1nnc(C[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)[nH]1 ZINC000181713007 199342656 /nfs/dbraw/zinc/34/26/56/199342656.db2.gz UTULSFXUANQNTR-CYBMUJFWSA-N 2 2 300.410 2.005 10 0 DEAELP CCc1nnc(C[N@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)[nH]1 ZINC000181713007 199342658 /nfs/dbraw/zinc/34/26/58/199342658.db2.gz UTULSFXUANQNTR-CYBMUJFWSA-N 2 2 300.410 2.005 10 0 DEAELP CCNc1cc(N2CC[C@H]([NH+]3CCCC3)C2)nc(SC)[nH+]1 ZINC000149941749 186053606 /nfs/dbraw/zinc/05/36/06/186053606.db2.gz XAWNYBOULQXVTK-LBPRGKRZSA-N 2 2 307.467 2.305 10 0 DEAELP COC[C@H](C)C[N@@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000188647985 356214654 /nfs/dbraw/zinc/21/46/54/356214654.db2.gz SPZWSDJXTGWVGA-HIFRSBDPSA-N 2 2 311.495 2.488 10 0 DEAELP COC[C@H](C)C[N@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000188647985 356214658 /nfs/dbraw/zinc/21/46/58/356214658.db2.gz SPZWSDJXTGWVGA-HIFRSBDPSA-N 2 2 311.495 2.488 10 0 DEAELP COC[C@H](C)C[NH+]1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000188647985 356214661 /nfs/dbraw/zinc/21/46/61/356214661.db2.gz SPZWSDJXTGWVGA-HIFRSBDPSA-N 2 2 311.495 2.488 10 0 DEAELP COC[C@H](C)C[NH+]1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000188647985 356214664 /nfs/dbraw/zinc/21/46/64/356214664.db2.gz SPZWSDJXTGWVGA-HIFRSBDPSA-N 2 2 311.495 2.488 10 0 DEAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)nc[nH+]1 ZINC000245752190 356310564 /nfs/dbraw/zinc/31/05/64/356310564.db2.gz HFVKWAHTONTMNS-LXTVHRRPSA-N 2 2 319.453 2.033 10 0 DEAELP C[N@@H+]1CCC[C@H]1CC[NH+]1CCN(c2nc3ccccc3o2)CC1 ZINC000179270726 199008174 /nfs/dbraw/zinc/00/81/74/199008174.db2.gz ODCYGMGGTDFSAD-HNNXBMFYSA-N 2 2 314.433 2.434 10 0 DEAELP C[N@H+]1CCC[C@H]1CC[NH+]1CCN(c2nc3ccccc3o2)CC1 ZINC000179270726 199008176 /nfs/dbraw/zinc/00/81/76/199008176.db2.gz ODCYGMGGTDFSAD-HNNXBMFYSA-N 2 2 314.433 2.434 10 0 DEAELP CC[NH+](CC)CCSCC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000610427453 361397809 /nfs/dbraw/zinc/39/78/09/361397809.db2.gz MSISINNZHVGSKI-UHFFFAOYSA-N 2 2 306.435 2.348 10 0 DEAELP CCN(CC)C(=O)C[C@H](C[NH3+])[N@H+](Cc1cccs1)C1CC1 ZINC000091322793 193040929 /nfs/dbraw/zinc/04/09/29/193040929.db2.gz RMQMAHYUHHWKLC-CQSZACIVSA-N 2 2 309.479 2.298 10 0 DEAELP CCN(CC)C(=O)C[C@H](C[NH3+])[N@@H+](Cc1cccs1)C1CC1 ZINC000091322793 193040932 /nfs/dbraw/zinc/04/09/32/193040932.db2.gz RMQMAHYUHHWKLC-CQSZACIVSA-N 2 2 309.479 2.298 10 0 DEAELP c1nn(-c2cc[nH+]cc2)c2nc[nH+]c(NCC[C@@H]3CCCOC3)c12 ZINC000630384604 367624868 /nfs/dbraw/zinc/62/48/68/367624868.db2.gz APCFLFGFJIBFCZ-ZDUSSCGKSA-N 2 2 324.388 2.439 10 0 DEAELP c1cc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)n(CC2CCC2)n1 ZINC000631178832 368064364 /nfs/dbraw/zinc/06/43/64/368064364.db2.gz WUHXISZCIMHJMN-SFHVURJKSA-N 2 2 318.465 2.026 10 0 DEAELP CCC[NH2+][C@@H](Cc1csc(C)n1)[C@@H]1C[N@H+](CCC)CCO1 ZINC000093921237 193328925 /nfs/dbraw/zinc/32/89/25/193328925.db2.gz QWIMKUVXBSQAIT-HOTGVXAUSA-N 2 2 311.495 2.473 10 0 DEAELP CCC[NH2+][C@@H](Cc1csc(C)n1)[C@@H]1C[N@@H+](CCC)CCO1 ZINC000093921237 193328927 /nfs/dbraw/zinc/32/89/27/193328927.db2.gz QWIMKUVXBSQAIT-HOTGVXAUSA-N 2 2 311.495 2.473 10 0 DEAELP CC[NH2+][C@@H](Cc1ccncc1Cl)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC000093927576 193329157 /nfs/dbraw/zinc/32/91/57/193329157.db2.gz RFDFYICFPMLXFY-JKSUJKDBSA-N 2 2 311.857 2.365 10 0 DEAELP CC[NH2+][C@@H](Cc1ccncc1Cl)[C@H]1C[N@H+](C(C)C)CCO1 ZINC000093927576 193329158 /nfs/dbraw/zinc/32/91/58/193329158.db2.gz RFDFYICFPMLXFY-JKSUJKDBSA-N 2 2 311.857 2.365 10 0 DEAELP C[N@H+](CCS(C)(=O)=O)Cc1cccc(C[NH2+]C(C)(C)C)c1 ZINC000094300900 193358794 /nfs/dbraw/zinc/35/87/94/193358794.db2.gz OLONOJWDIIYIPK-UHFFFAOYSA-N 2 2 312.479 2.051 10 0 DEAELP C[N@@H+](CCS(C)(=O)=O)Cc1cccc(C[NH2+]C(C)(C)C)c1 ZINC000094300900 193358797 /nfs/dbraw/zinc/35/87/97/193358797.db2.gz OLONOJWDIIYIPK-UHFFFAOYSA-N 2 2 312.479 2.051 10 0 DEAELP C[C@@H]1SCCC[C@@]1(C[NH3+])[NH+]1CCN(c2ccccc2)CC1 ZINC000094478705 193372401 /nfs/dbraw/zinc/37/24/01/193372401.db2.gz UBXRGRXQYZZDBZ-RDJZCZTQSA-N 2 2 305.491 2.422 10 0 DEAELP COC[C@@H](C)[N@H+](C)[C@@H](C[NH3+])c1cccc(Br)c1 ZINC000042517780 183279417 /nfs/dbraw/zinc/27/94/17/183279417.db2.gz FOHWYGVBRPFPAF-MFKMUULPSA-N 2 2 301.228 2.416 10 0 DEAELP COC[C@@H](C)[N@@H+](C)[C@@H](C[NH3+])c1cccc(Br)c1 ZINC000042517780 183279419 /nfs/dbraw/zinc/27/94/19/183279419.db2.gz FOHWYGVBRPFPAF-MFKMUULPSA-N 2 2 301.228 2.416 10 0 DEAELP CC[C@@H]([NH3+])[C@@H](c1ccc(Cl)cc1)[NH+]1CCC(C(N)=O)CC1 ZINC000042944572 183320007 /nfs/dbraw/zinc/32/00/07/183320007.db2.gz ULXRXZYXVMZHBZ-HUUCEWRRSA-N 2 2 309.841 2.316 10 0 DEAELP CC[C@H]([NH3+])[C@@H](c1ccc(Br)cc1)[N@H+](C)CCO ZINC000042953973 183321889 /nfs/dbraw/zinc/32/18/89/183321889.db2.gz VQEDCVSNWVNRAF-QWHCGFSZSA-N 2 2 301.228 2.152 10 0 DEAELP CC[C@H]([NH3+])[C@@H](c1ccc(Br)cc1)[N@@H+](C)CCO ZINC000042953973 183321891 /nfs/dbraw/zinc/32/18/91/183321891.db2.gz VQEDCVSNWVNRAF-QWHCGFSZSA-N 2 2 301.228 2.152 10 0 DEAELP Cc1ncc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)s1 ZINC000109756047 194283058 /nfs/dbraw/zinc/28/30/58/194283058.db2.gz AYGZTURYMZQJKF-HNNXBMFYSA-N 2 2 308.495 2.053 10 0 DEAELP Cc1ncc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)s1 ZINC000109756047 194283059 /nfs/dbraw/zinc/28/30/59/194283059.db2.gz AYGZTURYMZQJKF-HNNXBMFYSA-N 2 2 308.495 2.053 10 0 DEAELP c1c[nH+]c(C2CC[NH+](Cc3cnc(N4CCCC4)nc3)CC2)[nH]1 ZINC000535084088 284881042 /nfs/dbraw/zinc/88/10/42/284881042.db2.gz ZZBCPUVVRIQGEB-UHFFFAOYSA-N 2 2 312.421 2.180 10 0 DEAELP [NH3+]C[C@H](c1ccc(Br)cc1)N1CCn2cc[nH+]c2C1 ZINC000062246181 184225222 /nfs/dbraw/zinc/22/52/22/184225222.db2.gz SSRVZYUCKXUIMC-CYBMUJFWSA-N 2 2 321.222 2.161 10 0 DEAELP C[C@@H](CCn1cccn1)[NH2+][C@@H](Cc1ccccc1)C[NH+](C)C ZINC000158672583 197292514 /nfs/dbraw/zinc/29/25/14/197292514.db2.gz VJUJQBKZEKAUBG-WMZOPIPTSA-N 2 2 300.450 2.424 10 0 DEAELP C[C@@H]([NH2+]CCc1cn(C)c[nH+]1)c1ccc(Br)cn1 ZINC000562738390 292007517 /nfs/dbraw/zinc/00/75/17/292007517.db2.gz VVSUYDGPWZQYLI-SNVBAGLBSA-N 2 2 309.211 2.471 10 0 DEAELP CC1=CC[N@H+](CC[NH2+]Cc2ccccc2N2CCOCC2)CC1 ZINC000358165240 133125376 /nfs/dbraw/zinc/12/53/76/133125376.db2.gz LAZBHQQXFPRNQC-UHFFFAOYSA-N 2 2 315.461 2.265 10 0 DEAELP CC1=CC[N@@H+](CC[NH2+]Cc2ccccc2N2CCOCC2)CC1 ZINC000358165240 133125377 /nfs/dbraw/zinc/12/53/77/133125377.db2.gz LAZBHQQXFPRNQC-UHFFFAOYSA-N 2 2 315.461 2.265 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCC1CC[NH+](C)CC1)C2 ZINC000372464189 133354880 /nfs/dbraw/zinc/35/48/80/133354880.db2.gz IXHSVUBENBDKPE-AWEZNQCLSA-N 2 2 318.465 2.096 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCC1CC[NH+](C)CC1)CC2 ZINC000372464189 133354881 /nfs/dbraw/zinc/35/48/81/133354881.db2.gz IXHSVUBENBDKPE-AWEZNQCLSA-N 2 2 318.465 2.096 10 0 DEAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(Cl)cn2)[C@@H](C)C1 ZINC000245436204 145092642 /nfs/dbraw/zinc/09/26/42/145092642.db2.gz QWFYDNYFEIEEFF-GXTWGEPZSA-N 2 2 324.856 2.336 10 0 DEAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(Cl)cn2)[C@@H](C)C1 ZINC000245436204 145092644 /nfs/dbraw/zinc/09/26/44/145092644.db2.gz QWFYDNYFEIEEFF-GXTWGEPZSA-N 2 2 324.856 2.336 10 0 DEAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc(Cl)cn2)[C@@H](C)C1 ZINC000245436204 145092646 /nfs/dbraw/zinc/09/26/46/145092646.db2.gz QWFYDNYFEIEEFF-GXTWGEPZSA-N 2 2 324.856 2.336 10 0 DEAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc(Cl)cn2)[C@@H](C)C1 ZINC000245436204 145092648 /nfs/dbraw/zinc/09/26/48/145092648.db2.gz QWFYDNYFEIEEFF-GXTWGEPZSA-N 2 2 324.856 2.336 10 0 DEAELP Cc1ccc(N2CC[C@H]([NH2+][C@@H]3CC[N@H+](C)[C@@H](C)C3)C2=O)cc1 ZINC000246418093 145101868 /nfs/dbraw/zinc/10/18/68/145101868.db2.gz NAOAWKKWJPETJW-UXLLHSPISA-N 2 2 301.434 2.173 10 0 DEAELP Cc1ccc(N2CC[C@H]([NH2+][C@@H]3CC[N@@H+](C)[C@@H](C)C3)C2=O)cc1 ZINC000246418093 145101870 /nfs/dbraw/zinc/10/18/70/145101870.db2.gz NAOAWKKWJPETJW-UXLLHSPISA-N 2 2 301.434 2.173 10 0 DEAELP Cc1ccc(CNC(=O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1F ZINC000246923887 145119995 /nfs/dbraw/zinc/11/99/95/145119995.db2.gz QCPLTVQILHFEHP-GOEBONIOSA-N 2 2 321.440 2.165 10 0 DEAELP Cc1ccc(CNC(=O)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1F ZINC000246923887 145119996 /nfs/dbraw/zinc/11/99/96/145119996.db2.gz QCPLTVQILHFEHP-GOEBONIOSA-N 2 2 321.440 2.165 10 0 DEAELP Cc1ccc(CNC(=O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1F ZINC000246923887 145119997 /nfs/dbraw/zinc/11/99/97/145119997.db2.gz QCPLTVQILHFEHP-GOEBONIOSA-N 2 2 321.440 2.165 10 0 DEAELP Cc1ccc(CNC(=O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1F ZINC000246923887 145119998 /nfs/dbraw/zinc/11/99/98/145119998.db2.gz QCPLTVQILHFEHP-GOEBONIOSA-N 2 2 321.440 2.165 10 0 DEAELP C[C@H](c1nc(-c2cccnc2)no1)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000247070057 145125569 /nfs/dbraw/zinc/12/55/69/145125569.db2.gz HMRZKIYPHVCYDB-OLZOCXBDSA-N 2 2 301.394 2.076 10 0 DEAELP C[C@H](c1nc(-c2cccnc2)no1)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000247070057 145125571 /nfs/dbraw/zinc/12/55/71/145125571.db2.gz HMRZKIYPHVCYDB-OLZOCXBDSA-N 2 2 301.394 2.076 10 0 DEAELP C[N@@H+]1CCC[C@H]2C[NH+](Cc3nc(-c4ccco4)no3)CC[C@H]21 ZINC000247990379 145146233 /nfs/dbraw/zinc/14/62/33/145146233.db2.gz JIASVFFZWAXUIB-QWHCGFSZSA-N 2 2 302.378 2.246 10 0 DEAELP C[N@H+]1CCC[C@H]2C[NH+](Cc3nc(-c4ccco4)no3)CC[C@H]21 ZINC000247990379 145146235 /nfs/dbraw/zinc/14/62/35/145146235.db2.gz JIASVFFZWAXUIB-QWHCGFSZSA-N 2 2 302.378 2.246 10 0 DEAELP C[NH+]1CCC[C@H]2C[N@H+](Cc3nc(-c4ccco4)no3)CC[C@H]21 ZINC000247990379 145146238 /nfs/dbraw/zinc/14/62/38/145146238.db2.gz JIASVFFZWAXUIB-QWHCGFSZSA-N 2 2 302.378 2.246 10 0 DEAELP C[NH+]1CCC[C@H]2C[N@@H+](Cc3nc(-c4ccco4)no3)CC[C@H]21 ZINC000247990379 145146240 /nfs/dbraw/zinc/14/62/40/145146240.db2.gz JIASVFFZWAXUIB-QWHCGFSZSA-N 2 2 302.378 2.246 10 0 DEAELP CC[C@H](C)[C@H](C)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000248521454 145157491 /nfs/dbraw/zinc/15/74/91/145157491.db2.gz BNDGFKPCNKQIMU-SZNINPNASA-N 2 2 321.509 2.438 10 0 DEAELP CC[C@H](C)[C@H](C)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000248521454 145157492 /nfs/dbraw/zinc/15/74/92/145157492.db2.gz BNDGFKPCNKQIMU-SZNINPNASA-N 2 2 321.509 2.438 10 0 DEAELP COc1ccnc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1OC ZINC000248977484 145174475 /nfs/dbraw/zinc/17/44/75/145174475.db2.gz DSOFGCRJOSQVIF-UKRRQHHQSA-N 2 2 305.422 2.015 10 0 DEAELP COc1ccnc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1OC ZINC000248977484 145174476 /nfs/dbraw/zinc/17/44/76/145174476.db2.gz DSOFGCRJOSQVIF-UKRRQHHQSA-N 2 2 305.422 2.015 10 0 DEAELP COc1ccnc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1OC ZINC000248977484 145174477 /nfs/dbraw/zinc/17/44/77/145174477.db2.gz DSOFGCRJOSQVIF-UKRRQHHQSA-N 2 2 305.422 2.015 10 0 DEAELP COc1ccnc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1OC ZINC000248977484 145174478 /nfs/dbraw/zinc/17/44/78/145174478.db2.gz DSOFGCRJOSQVIF-UKRRQHHQSA-N 2 2 305.422 2.015 10 0 DEAELP c1ccc(CC[N@@H+]2CC[C@H]([NH2+][C@@H]3C[C@@H]4OCCC[C@@H]34)C2)cc1 ZINC000249892192 145190731 /nfs/dbraw/zinc/19/07/31/145190731.db2.gz QVEWSYOUMFHEBI-OKYOBFRVSA-N 2 2 300.446 2.461 10 0 DEAELP c1ccc(CC[N@H+]2CC[C@H]([NH2+][C@@H]3C[C@@H]4OCCC[C@@H]34)C2)cc1 ZINC000249892192 145190735 /nfs/dbraw/zinc/19/07/35/145190735.db2.gz QVEWSYOUMFHEBI-OKYOBFRVSA-N 2 2 300.446 2.461 10 0 DEAELP C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261715610 145220322 /nfs/dbraw/zinc/22/03/22/145220322.db2.gz MWCLLKUPUMEGMG-CZUORRHYSA-N 2 2 321.440 2.232 10 0 DEAELP C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261715610 145220324 /nfs/dbraw/zinc/22/03/24/145220324.db2.gz MWCLLKUPUMEGMG-CZUORRHYSA-N 2 2 321.440 2.232 10 0 DEAELP CSc1ccccc1NC(=O)C[N@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000261897193 145238939 /nfs/dbraw/zinc/23/89/39/145238939.db2.gz VFADKDWMWFKJBT-INIZCTEOSA-N 2 2 307.463 2.278 10 0 DEAELP CSc1ccccc1NC(=O)C[N@@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000261897193 145238940 /nfs/dbraw/zinc/23/89/40/145238940.db2.gz VFADKDWMWFKJBT-INIZCTEOSA-N 2 2 307.463 2.278 10 0 DEAELP C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261923756 145242496 /nfs/dbraw/zinc/24/24/96/145242496.db2.gz YYKBWFZIVGEPHB-IINYFYTJSA-N 2 2 311.376 2.351 10 0 DEAELP C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261923756 145242498 /nfs/dbraw/zinc/24/24/98/145242498.db2.gz YYKBWFZIVGEPHB-IINYFYTJSA-N 2 2 311.376 2.351 10 0 DEAELP c1sc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)nc1C1CC1 ZINC000261995508 145251437 /nfs/dbraw/zinc/25/14/37/145251437.db2.gz TZCUMPKSJBHTDZ-MGPQQGTHSA-N 2 2 307.463 2.267 10 0 DEAELP CC(C)c1ccc(NC(=O)C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000262529258 145290584 /nfs/dbraw/zinc/29/05/84/145290584.db2.gz PGHNTIKHGRBICI-GOSISDBHSA-N 2 2 301.434 2.434 10 0 DEAELP CC(C)c1ccc(NC(=O)C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000262529258 145290586 /nfs/dbraw/zinc/29/05/86/145290586.db2.gz PGHNTIKHGRBICI-GOSISDBHSA-N 2 2 301.434 2.434 10 0 DEAELP CC1(C)C[N@H+](Cc2nc(-c3ccc(F)cc3)no2)CC[C@@H]1[NH3+] ZINC000262550489 145292216 /nfs/dbraw/zinc/29/22/16/145292216.db2.gz SKAWXSUWVSXCCP-ZDUSSCGKSA-N 2 2 304.369 2.435 10 0 DEAELP CC1(C)C[N@@H+](Cc2nc(-c3ccc(F)cc3)no2)CC[C@@H]1[NH3+] ZINC000262550489 145292218 /nfs/dbraw/zinc/29/22/18/145292218.db2.gz SKAWXSUWVSXCCP-ZDUSSCGKSA-N 2 2 304.369 2.435 10 0 DEAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N(CC(C)C)C2CC2)[C@H](C)C1 ZINC000081095243 401893633 /nfs/dbraw/zinc/89/36/33/401893633.db2.gz UVWQXNWOWKRIPP-NVXWUHKLSA-N 2 2 309.498 2.296 10 0 DEAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N(CC(C)C)C2CC2)[C@H](C)C1 ZINC000081095243 401893635 /nfs/dbraw/zinc/89/36/35/401893635.db2.gz UVWQXNWOWKRIPP-NVXWUHKLSA-N 2 2 309.498 2.296 10 0 DEAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N(CC(C)C)C2CC2)[C@H](C)C1 ZINC000081095243 401893637 /nfs/dbraw/zinc/89/36/37/401893637.db2.gz UVWQXNWOWKRIPP-NVXWUHKLSA-N 2 2 309.498 2.296 10 0 DEAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N(CC(C)C)C2CC2)[C@H](C)C1 ZINC000081095243 401893638 /nfs/dbraw/zinc/89/36/38/401893638.db2.gz UVWQXNWOWKRIPP-NVXWUHKLSA-N 2 2 309.498 2.296 10 0 DEAELP CC(C)(C)OC(=O)N1C[C@@H]([NH3+])[C@@H](c2[nH+]ccc3[nH]ccc32)C1 ZINC000089220763 401938899 /nfs/dbraw/zinc/93/88/99/401938899.db2.gz VCNPCIVVKYWICT-NWDGAFQWSA-N 2 2 302.378 2.225 10 0 DEAELP Cc1[nH+]c2ccccc2n1CC(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000044532992 401944828 /nfs/dbraw/zinc/94/48/28/401944828.db2.gz HXHORVUIDNWTKT-CQSZACIVSA-N 2 2 314.433 2.335 10 0 DEAELP Cc1[nH+]c2ccccc2n1CC(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000044532992 401944829 /nfs/dbraw/zinc/94/48/29/401944829.db2.gz HXHORVUIDNWTKT-CQSZACIVSA-N 2 2 314.433 2.335 10 0 DEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2c(C)nn(C)c2OC)C1 ZINC000122910001 402101041 /nfs/dbraw/zinc/10/10/41/402101041.db2.gz FUDDSQOVNKRYTP-CQSZACIVSA-N 2 2 317.437 2.333 10 0 DEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2c(C)nn(C)c2OC)C1 ZINC000122910001 402101044 /nfs/dbraw/zinc/10/10/44/402101044.db2.gz FUDDSQOVNKRYTP-CQSZACIVSA-N 2 2 317.437 2.333 10 0 DEAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(-c3cnn(C)c3)no2)[C@H](C)C1 ZINC000185036332 402319249 /nfs/dbraw/zinc/31/92/49/402319249.db2.gz HOYWZYIOBVSIEI-DYVFJYSZSA-N 2 2 317.437 2.237 10 0 DEAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(-c3cnn(C)c3)no2)[C@H](C)C1 ZINC000185036332 402319251 /nfs/dbraw/zinc/31/92/51/402319251.db2.gz HOYWZYIOBVSIEI-DYVFJYSZSA-N 2 2 317.437 2.237 10 0 DEAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(-c3cnn(C)c3)no2)[C@H](C)C1 ZINC000185036332 402319254 /nfs/dbraw/zinc/31/92/54/402319254.db2.gz HOYWZYIOBVSIEI-DYVFJYSZSA-N 2 2 317.437 2.237 10 0 DEAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(-c3cnn(C)c3)no2)[C@H](C)C1 ZINC000185036332 402319257 /nfs/dbraw/zinc/31/92/57/402319257.db2.gz HOYWZYIOBVSIEI-DYVFJYSZSA-N 2 2 317.437 2.237 10 0 DEAELP C[NH+]1CCC(CNC(=O)NC2(C)CCC2)([NH+]2CCCCC2)CC1 ZINC000161758261 402397910 /nfs/dbraw/zinc/39/79/10/402397910.db2.gz MBBIZADAOJHTNB-UHFFFAOYSA-N 2 2 322.497 2.179 10 0 DEAELP C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)C(C)(C)[NH3+])CC1 ZINC000237394220 402407063 /nfs/dbraw/zinc/40/70/63/402407063.db2.gz VQCMCJRTIDZNDD-GFCCVEGCSA-N 2 2 309.841 2.283 10 0 DEAELP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCCCNc1cccc[nH+]1 ZINC000177524513 402412315 /nfs/dbraw/zinc/41/23/15/402412315.db2.gz SLZDCSAEPCNGPJ-HNNXBMFYSA-N 2 2 319.453 2.009 10 0 DEAELP CC[N@H+]1CCC[C@H]1CN(C)C(=O)NCCCNc1cccc[nH+]1 ZINC000177524513 402412317 /nfs/dbraw/zinc/41/23/17/402412317.db2.gz SLZDCSAEPCNGPJ-HNNXBMFYSA-N 2 2 319.453 2.009 10 0 DEAELP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCc1[nH+]ccn1CC(C)C ZINC000177545454 402414448 /nfs/dbraw/zinc/41/44/48/402414448.db2.gz VHZQDAHHVRQWIK-OAHLLOKOSA-N 2 2 321.469 2.165 10 0 DEAELP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NCc1[nH+]ccn1CC(C)C ZINC000177545454 402414450 /nfs/dbraw/zinc/41/44/50/402414450.db2.gz VHZQDAHHVRQWIK-OAHLLOKOSA-N 2 2 321.469 2.165 10 0 DEAELP OC[C@@]1([NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)CCOC1 ZINC000186646281 402450765 /nfs/dbraw/zinc/45/07/65/402450765.db2.gz NDNHHAMKMVERAO-KRWDZBQOSA-N 2 2 324.852 2.045 10 0 DEAELP C[NH+](C)Cc1cccc(C(=O)N2CCC[C@H]2Cn2cc[nH+]c2)c1 ZINC000177804075 402437939 /nfs/dbraw/zinc/43/79/39/402437939.db2.gz BBWBQEZJRQNPDV-KRWDZBQOSA-N 2 2 312.417 2.250 10 0 DEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NCc2cccs2)[C@@H](C)C1 ZINC000245427998 402459982 /nfs/dbraw/zinc/45/99/82/402459982.db2.gz MHDBTSVVIMYPMO-ZFWWWQNUSA-N 2 2 309.479 2.026 10 0 DEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NCc2cccs2)[C@@H](C)C1 ZINC000245427998 402459986 /nfs/dbraw/zinc/45/99/86/402459986.db2.gz MHDBTSVVIMYPMO-ZFWWWQNUSA-N 2 2 309.479 2.026 10 0 DEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NCc2cccs2)[C@@H](C)C1 ZINC000245427998 402459990 /nfs/dbraw/zinc/45/99/90/402459990.db2.gz MHDBTSVVIMYPMO-ZFWWWQNUSA-N 2 2 309.479 2.026 10 0 DEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NCc2cccs2)[C@@H](C)C1 ZINC000245427998 402459992 /nfs/dbraw/zinc/45/99/92/402459992.db2.gz MHDBTSVVIMYPMO-ZFWWWQNUSA-N 2 2 309.479 2.026 10 0 DEAELP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178371567 402491403 /nfs/dbraw/zinc/49/14/03/402491403.db2.gz CLKRBXXXIVQAPY-KRWDZBQOSA-N 2 2 322.412 2.123 10 0 DEAELP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)Nc3cc(F)cc(F)c3)CC[C@@H]21 ZINC000178627589 402519099 /nfs/dbraw/zinc/51/90/99/402519099.db2.gz HQDQXQKIWGJZEP-WBMJQRKESA-N 2 2 323.387 2.319 10 0 DEAELP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)Nc3cc(F)cc(F)c3)CC[C@@H]21 ZINC000178627589 402519102 /nfs/dbraw/zinc/51/91/02/402519102.db2.gz HQDQXQKIWGJZEP-WBMJQRKESA-N 2 2 323.387 2.319 10 0 DEAELP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)Nc3cc(F)cc(F)c3)CC[C@@H]21 ZINC000178627589 402519104 /nfs/dbraw/zinc/51/91/04/402519104.db2.gz HQDQXQKIWGJZEP-WBMJQRKESA-N 2 2 323.387 2.319 10 0 DEAELP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)Nc3cc(F)cc(F)c3)CC[C@@H]21 ZINC000178627589 402519108 /nfs/dbraw/zinc/51/91/08/402519108.db2.gz HQDQXQKIWGJZEP-WBMJQRKESA-N 2 2 323.387 2.319 10 0 DEAELP C[N@@H+]1CCN(CCC[NH2+]Cc2cocn2)[C@@H](c2ccccc2)C1 ZINC000248683795 402603363 /nfs/dbraw/zinc/60/33/63/402603363.db2.gz XWQLCKZFYOHMOG-GOSISDBHSA-N 2 2 314.433 2.143 10 0 DEAELP C[N@H+]1CCN(CCC[NH2+]Cc2cocn2)[C@@H](c2ccccc2)C1 ZINC000248683795 402603365 /nfs/dbraw/zinc/60/33/65/402603365.db2.gz XWQLCKZFYOHMOG-GOSISDBHSA-N 2 2 314.433 2.143 10 0 DEAELP O[C@@H](C[NH2+]Cc1ccc(OCC2CC2)cc1)C[NH+]1CCCCC1 ZINC000190855330 402627910 /nfs/dbraw/zinc/62/79/10/402627910.db2.gz AQLWMOZPKFRTOJ-SFHVURJKSA-N 2 2 318.461 2.412 10 0 DEAELP CCCC[C@H](COC)[NH2+]C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000180571237 402620380 /nfs/dbraw/zinc/62/03/80/402620380.db2.gz CKTUSESZYHWELL-HUUCEWRRSA-N 2 2 321.469 2.282 10 0 DEAELP C[C@@H](CCNC(=O)[C@H]1CCCn2cc[nH+]c21)[NH+]1CCCCC1 ZINC000183130609 402741800 /nfs/dbraw/zinc/74/18/00/402741800.db2.gz ZIPOSDBWQJGDIR-GJZGRUSLSA-N 2 2 304.438 2.141 10 0 DEAELP CCCCc1[nH]c(C[N@@H+]2CC[C@]3(OC)CC[C@H](O)C[C@H]23)c[nH+]1 ZINC000299787551 403576164 /nfs/dbraw/zinc/57/61/64/403576164.db2.gz OZLHZCBYWGIGEF-YQQAZPJKSA-N 2 2 307.438 2.257 10 0 DEAELP CCCCc1[nH]c(C[N@H+]2CC[C@]3(OC)CC[C@H](O)C[C@H]23)c[nH+]1 ZINC000299787551 403576169 /nfs/dbraw/zinc/57/61/69/403576169.db2.gz OZLHZCBYWGIGEF-YQQAZPJKSA-N 2 2 307.438 2.257 10 0 DEAELP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000333191672 403690194 /nfs/dbraw/zinc/69/01/94/403690194.db2.gz AAWHGDLWIMJTLX-ILXRZTDVSA-N 2 2 319.453 2.138 10 0 DEAELP CCO[C@@H]1C[C@H]([NH2+]C[C@H](C)C[NH+]2CCOCC2)C12CCCC2 ZINC000245955742 286390019 /nfs/dbraw/zinc/39/00/19/286390019.db2.gz XFZALGYTIBAMEF-YESZJQIVSA-N 2 2 310.482 2.282 10 0 DEAELP CC(=O)N1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)[C@H](C)C1 ZINC000361833944 403895050 /nfs/dbraw/zinc/89/50/50/403895050.db2.gz QFBCHQOBAZQPOX-OAHLLOKOSA-N 2 2 312.417 2.233 10 0 DEAELP CC(=O)N1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)[C@H](C)C1 ZINC000361833944 403895058 /nfs/dbraw/zinc/89/50/58/403895058.db2.gz QFBCHQOBAZQPOX-OAHLLOKOSA-N 2 2 312.417 2.233 10 0 DEAELP CN(C(=O)[C@H]1[C@@H]2CCCC[C@@H]21)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000365754414 404716034 /nfs/dbraw/zinc/71/60/34/404716034.db2.gz VHBMMXIKUIURTK-BDXSIMOUSA-N 2 2 319.493 2.050 10 0 DEAELP CN(C(=O)[C@H]1[C@@H]2CCCC[C@@H]21)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000365754414 404716038 /nfs/dbraw/zinc/71/60/38/404716038.db2.gz VHBMMXIKUIURTK-BDXSIMOUSA-N 2 2 319.493 2.050 10 0 DEAELP COCC[N@@H+]1CC[C@H]([NH2+]C2CC(OCc3ccccc3)C2)C1 ZINC000361673626 405193392 /nfs/dbraw/zinc/19/33/92/405193392.db2.gz LQHASPZMTMTVON-AOCRQIFASA-N 2 2 304.434 2.045 10 0 DEAELP COCC[N@H+]1CC[C@H]([NH2+]C2CC(OCc3ccccc3)C2)C1 ZINC000361673626 405193400 /nfs/dbraw/zinc/19/34/00/405193400.db2.gz LQHASPZMTMTVON-AOCRQIFASA-N 2 2 304.434 2.045 10 0 DEAELP c1nc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)n(-c2ccccc2)n1 ZINC000420378020 405337550 /nfs/dbraw/zinc/33/75/50/405337550.db2.gz AWZBFRCBHPTAAF-NVXWUHKLSA-N 2 2 311.433 2.231 10 0 DEAELP c1nc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)n(-c2ccccc2)n1 ZINC000420378020 405337552 /nfs/dbraw/zinc/33/75/52/405337552.db2.gz AWZBFRCBHPTAAF-NVXWUHKLSA-N 2 2 311.433 2.231 10 0 DEAELP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2CCCO)cc1 ZINC000449389807 405539735 /nfs/dbraw/zinc/53/97/35/405539735.db2.gz UCOVVYKTVAAZGR-RDJZCZTQSA-N 2 2 306.450 2.063 10 0 DEAELP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CCC[N@H+]2CCCO)cc1 ZINC000449389807 405539738 /nfs/dbraw/zinc/53/97/38/405539738.db2.gz UCOVVYKTVAAZGR-RDJZCZTQSA-N 2 2 306.450 2.063 10 0 DEAELP COc1ccc(C[C@@H](C)[NH2+][C@@H]2CCC[N@H+](CCCO)C2)cc1 ZINC000449396891 405546402 /nfs/dbraw/zinc/54/64/02/405546402.db2.gz NCRUBDVLKZLPQC-NVXWUHKLSA-N 2 2 306.450 2.063 10 0 DEAELP COc1ccc(C[C@@H](C)[NH2+][C@@H]2CCC[N@@H+](CCCO)C2)cc1 ZINC000449396891 405546405 /nfs/dbraw/zinc/54/64/05/405546405.db2.gz NCRUBDVLKZLPQC-NVXWUHKLSA-N 2 2 306.450 2.063 10 0 DEAELP c1ccc([C@H]2CC[C@H](C[NH2+][C@@H](C3CC3)[C@@H]3C[NH2+]CCO3)O2)cc1 ZINC000423119717 405701797 /nfs/dbraw/zinc/70/17/97/405701797.db2.gz DINSVBQGIDZOLM-YRXWBPOGSA-N 2 2 316.445 2.263 10 0 DEAELP COc1ccc([C@@](C)(O)[C@H]2CCC[N@@H+]2CCn2cc[nH+]c2)cc1 ZINC000583619774 405776449 /nfs/dbraw/zinc/77/64/49/405776449.db2.gz FYJNYSVVNRAWRH-QZTJIDSGSA-N 2 2 315.417 2.264 10 0 DEAELP COc1ccc([C@@](C)(O)[C@H]2CCC[N@H+]2CCn2cc[nH+]c2)cc1 ZINC000583619774 405776455 /nfs/dbraw/zinc/77/64/55/405776455.db2.gz FYJNYSVVNRAWRH-QZTJIDSGSA-N 2 2 315.417 2.264 10 0 DEAELP CO[C@]1(C[NH2+]C[C@]2(C)CCC[N@@H+]2Cc2ccccc2)CCOC1 ZINC000639072789 405861268 /nfs/dbraw/zinc/86/12/68/405861268.db2.gz ZTGVQJDRJGVFDV-OALUTQOASA-N 2 2 318.461 2.436 10 0 DEAELP CO[C@]1(C[NH2+]C[C@]2(C)CCC[N@H+]2Cc2ccccc2)CCOC1 ZINC000639072789 405861280 /nfs/dbraw/zinc/86/12/80/405861280.db2.gz ZTGVQJDRJGVFDV-OALUTQOASA-N 2 2 318.461 2.436 10 0 DEAELP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2c(Br)cnn2C)C1 ZINC000486969730 406194434 /nfs/dbraw/zinc/19/44/34/406194434.db2.gz QAWURSQRMAHSPM-LLVKDONJSA-N 2 2 315.259 2.004 10 0 DEAELP CC[N@H+]1CCC[C@H](C[NH2+]Cc2c(Br)cnn2C)C1 ZINC000486969730 406194440 /nfs/dbraw/zinc/19/44/40/406194440.db2.gz QAWURSQRMAHSPM-LLVKDONJSA-N 2 2 315.259 2.004 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCC1([NH+](C)C)CCC1)C2 ZINC000527004307 406569066 /nfs/dbraw/zinc/56/90/66/406569066.db2.gz KYYUOCNAVKUZFV-ZDUSSCGKSA-N 2 2 318.465 2.239 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCC1([NH+](C)C)CCC1)CC2 ZINC000527004307 406569072 /nfs/dbraw/zinc/56/90/72/406569072.db2.gz KYYUOCNAVKUZFV-ZDUSSCGKSA-N 2 2 318.465 2.239 10 0 DEAELP CC[C@H]([NH3+])Cc1c(Cl)cccc1OCC[NH+]1CCOCC1 ZINC000128718716 195986433 /nfs/dbraw/zinc/98/64/33/195986433.db2.gz SLLWGYKCJAPREJ-ZDUSSCGKSA-N 2 2 312.841 2.331 10 0 DEAELP CNc1nc(N[C@H](C[NH+](C)C)C(C)C)c(Br)c[nH+]1 ZINC000130977357 196128300 /nfs/dbraw/zinc/12/83/00/196128300.db2.gz VXJAUJIRLRTBDU-SNVBAGLBSA-N 2 2 316.247 2.279 10 0 DEAELP CCCc1nc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)no1 ZINC000105876741 424849546 /nfs/dbraw/zinc/84/95/46/424849546.db2.gz WBHLHYZAFDWZMJ-UHFFFAOYSA-N 2 2 303.410 2.210 10 0 DEAELP CCN(Cc1ccccc1)C(=O)[C@@H](C)[NH+]1CCC([NH+](C)C)CC1 ZINC000193803984 424871249 /nfs/dbraw/zinc/87/12/49/424871249.db2.gz UZGUUBPRQPWDJZ-MRXNPFEDSA-N 2 2 317.477 2.450 10 0 DEAELP CC(C)OC[C@H](O)C[NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000398079692 424922780 /nfs/dbraw/zinc/92/27/80/424922780.db2.gz RFEWAAQCQOLLPF-RTBURBONSA-N 2 2 320.477 2.417 10 0 DEAELP CC(C)OC[C@H](O)C[NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000398079692 424922782 /nfs/dbraw/zinc/92/27/82/424922782.db2.gz RFEWAAQCQOLLPF-RTBURBONSA-N 2 2 320.477 2.417 10 0 DEAELP CN(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000302891733 424892734 /nfs/dbraw/zinc/89/27/34/424892734.db2.gz JXOTZXZCWPRKKX-ZWKOTPCHSA-N 2 2 315.461 2.109 10 0 DEAELP CN(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000302891733 424892736 /nfs/dbraw/zinc/89/27/36/424892736.db2.gz JXOTZXZCWPRKKX-ZWKOTPCHSA-N 2 2 315.461 2.109 10 0 DEAELP C[C@@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)C1CCCC1 ZINC000172231350 278322489 /nfs/dbraw/zinc/32/24/89/278322489.db2.gz PLJJIKMPXOCIPU-OAHLLOKOSA-N 2 2 324.513 2.233 10 0 DEAELP C[C@@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)C1CCCC1 ZINC000172231350 278322491 /nfs/dbraw/zinc/32/24/91/278322491.db2.gz PLJJIKMPXOCIPU-OAHLLOKOSA-N 2 2 324.513 2.233 10 0 DEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N(CC[NH+](C)C)C(C)C ZINC000159166530 279259063 /nfs/dbraw/zinc/25/90/63/279259063.db2.gz XAZDFZDYBAISJM-UHFFFAOYSA-N 2 2 309.458 2.021 10 0 DEAELP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@H]3CC[C@H]([NH3+])C3)n2)C1 ZINC000246213901 524239382 /nfs/dbraw/zinc/23/93/82/524239382.db2.gz GAENEIVDHMLEKG-AGIUHOORSA-N 2 2 322.478 2.441 10 0 DEAELP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@H]3CC[C@H]([NH3+])C3)n2)C1 ZINC000246213901 524239389 /nfs/dbraw/zinc/23/93/89/524239389.db2.gz GAENEIVDHMLEKG-AGIUHOORSA-N 2 2 322.478 2.441 10 0 DEAELP CC1(C)C[N@H+](CC(=O)N[C@H](c2ccccc2)C2CC2)CC[C@@H]1[NH3+] ZINC000261821942 535353132 /nfs/dbraw/zinc/35/31/32/535353132.db2.gz XZVYAILYOPLQDM-FUHWJXTLSA-N 2 2 315.461 2.313 10 0 DEAELP CC1(C)C[N@@H+](CC(=O)N[C@H](c2ccccc2)C2CC2)CC[C@@H]1[NH3+] ZINC000261821942 535353135 /nfs/dbraw/zinc/35/31/35/535353135.db2.gz XZVYAILYOPLQDM-FUHWJXTLSA-N 2 2 315.461 2.313 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N(C)[C@H]1CCC[N@H+](C)C1)C2 ZINC000375264358 535381690 /nfs/dbraw/zinc/38/16/90/535381690.db2.gz YUBIGSIMESJPDJ-KGLIPLIRSA-N 2 2 318.465 2.191 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N(C)[C@H]1CCC[N@@H+](C)C1)C2 ZINC000375264358 535381691 /nfs/dbraw/zinc/38/16/91/535381691.db2.gz YUBIGSIMESJPDJ-KGLIPLIRSA-N 2 2 318.465 2.191 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N(C)[C@H]1CCC[N@H+](C)C1)CC2 ZINC000375264358 535381693 /nfs/dbraw/zinc/38/16/93/535381693.db2.gz YUBIGSIMESJPDJ-KGLIPLIRSA-N 2 2 318.465 2.191 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N(C)[C@H]1CCC[N@@H+](C)C1)CC2 ZINC000375264358 535381694 /nfs/dbraw/zinc/38/16/94/535381694.db2.gz YUBIGSIMESJPDJ-KGLIPLIRSA-N 2 2 318.465 2.191 10 0 DEAELP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000372392138 535564907 /nfs/dbraw/zinc/56/49/07/535564907.db2.gz ACEUEJVKIHUMDQ-ZIAGYGMSSA-N 2 2 318.465 2.239 10 0 DEAELP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000372392138 535564908 /nfs/dbraw/zinc/56/49/08/535564908.db2.gz ACEUEJVKIHUMDQ-ZIAGYGMSSA-N 2 2 318.465 2.239 10 0 DEAELP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000372392138 535564912 /nfs/dbraw/zinc/56/49/12/535564912.db2.gz ACEUEJVKIHUMDQ-ZIAGYGMSSA-N 2 2 318.465 2.239 10 0 DEAELP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000372392138 535564914 /nfs/dbraw/zinc/56/49/14/535564914.db2.gz ACEUEJVKIHUMDQ-ZIAGYGMSSA-N 2 2 318.465 2.239 10 0 DEAELP C[C@H]1C[C@H]([NH2+]CC[NH+]2CCCC2)CN(C(=O)OC(C)(C)C)C1 ZINC000401719632 801844428 /nfs/dbraw/zinc/84/44/28/801844428.db2.gz MVVJIWABFBIGBD-GJZGRUSLSA-N 2 2 311.470 2.317 10 0 DEAELP CC[N@H+](CCCNC(=O)NC[C@@H]1CCC[NH+]1C)c1ccccc1 ZINC000139425876 282101027 /nfs/dbraw/zinc/10/10/27/282101027.db2.gz UPIURKHSIXOKRB-KRWDZBQOSA-N 2 2 318.465 2.296 10 0 DEAELP CC[N@@H+](CCCNC(=O)NC[C@@H]1CCC[NH+]1C)c1ccccc1 ZINC000139425876 282101029 /nfs/dbraw/zinc/10/10/29/282101029.db2.gz UPIURKHSIXOKRB-KRWDZBQOSA-N 2 2 318.465 2.296 10 0 DEAELP CC[NH+](CCCNC(=O)NC[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000139425876 282101031 /nfs/dbraw/zinc/10/10/31/282101031.db2.gz UPIURKHSIXOKRB-KRWDZBQOSA-N 2 2 318.465 2.296 10 0 DEAELP CC[NH+](CCCNC(=O)NC[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC000139425876 282101033 /nfs/dbraw/zinc/10/10/33/282101033.db2.gz UPIURKHSIXOKRB-KRWDZBQOSA-N 2 2 318.465 2.296 10 0 DEAELP Cn1ncc2c1nc(NCCC[N@H+](C)C1CCCCC1)[nH+]c2N ZINC000278362549 214117693 /nfs/dbraw/zinc/11/76/93/214117693.db2.gz KLHFPCKGTLIJDP-UHFFFAOYSA-N 2 2 317.441 2.012 10 0 DEAELP Cn1ncc2c1nc(NCCC[N@@H+](C)C1CCCCC1)[nH+]c2N ZINC000278362549 214117695 /nfs/dbraw/zinc/11/76/95/214117695.db2.gz KLHFPCKGTLIJDP-UHFFFAOYSA-N 2 2 317.441 2.012 10 0 DEAELP CC1(C)[C@H]2C[NH2+]C[C@H]2C[N@@H+]1Cc1nc(-c2cccs2)no1 ZINC000090337439 185291803 /nfs/dbraw/zinc/29/18/03/185291803.db2.gz SKGUOASUYSUUCA-QWRGUYRKSA-N 2 2 304.419 2.228 10 0 DEAELP CC1(C)[C@H]2C[NH2+]C[C@H]2C[N@H+]1Cc1nc(-c2cccs2)no1 ZINC000090337439 185291804 /nfs/dbraw/zinc/29/18/04/185291804.db2.gz SKGUOASUYSUUCA-QWRGUYRKSA-N 2 2 304.419 2.228 10 0 DEAELP COc1ccc(Cl)c2c1CN(Cc1[nH+]ccn1C)[C@H]2C[NH3+] ZINC000071684012 191008407 /nfs/dbraw/zinc/00/84/07/191008407.db2.gz WYPPPKLATAKBAI-LBPRGKRZSA-N 2 2 306.797 2.098 10 0 DEAELP COC(=O)[C@@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000358859826 283074731 /nfs/dbraw/zinc/07/47/31/283074731.db2.gz WSFPFHGAXOJYSO-SFHVURJKSA-N 2 2 316.445 2.440 10 0 DEAELP Cc1cncc(CC[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000402863384 540143659 /nfs/dbraw/zinc/14/36/59/540143659.db2.gz YPQWLXXXQWZJEA-HNAYVOBHSA-N 2 2 310.445 2.438 10 0 DEAELP Cc1cncc(CC[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000402863384 540143663 /nfs/dbraw/zinc/14/36/63/540143663.db2.gz YPQWLXXXQWZJEA-HNAYVOBHSA-N 2 2 310.445 2.438 10 0 DEAELP COc1cc(C[NH+]2CCC([NH2+]C(C)C)CC2)cc2c1OCCO2 ZINC000179833309 199086207 /nfs/dbraw/zinc/08/62/07/199086207.db2.gz DCSPQLSLAQMMOS-UHFFFAOYSA-N 2 2 320.433 2.429 10 0 DEAELP CCSCC[NH2+]C[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000597237778 358864946 /nfs/dbraw/zinc/86/49/46/358864946.db2.gz IBQILFPJYRUFOW-KRWDZBQOSA-N 2 2 307.507 2.145 10 0 DEAELP CCSCC[NH2+]C[C@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000597237778 358864953 /nfs/dbraw/zinc/86/49/53/358864953.db2.gz IBQILFPJYRUFOW-KRWDZBQOSA-N 2 2 307.507 2.145 10 0 DEAELP O=C(NCCc1cn2c([nH+]1)CCCC2)Nc1ccc2[nH+]ccn2c1 ZINC000606583391 361022994 /nfs/dbraw/zinc/02/29/94/361022994.db2.gz ZQTCKWKWQHASIE-UHFFFAOYSA-N 2 2 324.388 2.231 10 0 DEAELP COC(=O)C(C)(C)[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccccc1 ZINC000611405438 361593077 /nfs/dbraw/zinc/59/30/77/361593077.db2.gz DQWMUMULKYHUEJ-HNNXBMFYSA-N 2 2 301.390 2.413 10 0 DEAELP CC[C@](C)([C@H]([NH3+])CCCS(=O)(=O)CC)[NH+]1CCCCC1 ZINC000091608946 193079591 /nfs/dbraw/zinc/07/95/91/193079591.db2.gz YJSQTSIBJHMIRB-HUUCEWRRSA-N 2 2 304.500 2.183 10 0 DEAELP CCS(=O)(=O)CCC[C@H]([NH2+]C)C1([NH+]2CCCC2)CCCC1 ZINC000091640834 193082112 /nfs/dbraw/zinc/08/21/12/193082112.db2.gz UTDZOTKREHGNDR-HNNXBMFYSA-N 2 2 316.511 2.198 10 0 DEAELP [NH3+][C@H](Cc1c[nH+]c[nH]1)c1nc2cc(F)c(Br)cc2[nH]1 ZINC000093728651 193297030 /nfs/dbraw/zinc/29/70/30/193297030.db2.gz SUZQVXCMIIMEJJ-SECBINFHSA-N 2 2 324.157 2.430 10 0 DEAELP C[NH2+][C@@H](c1ccc(C(F)(F)F)cc1)[C@@H]1C[N@H+](C)CCN1C ZINC000093894767 193324595 /nfs/dbraw/zinc/32/45/95/193324595.db2.gz QBKZXIIGKNUKKO-KBPBESRZSA-N 2 2 301.356 2.212 10 0 DEAELP C[NH2+][C@@H](c1ccc(C(F)(F)F)cc1)[C@@H]1C[N@@H+](C)CCN1C ZINC000093894767 193324597 /nfs/dbraw/zinc/32/45/97/193324597.db2.gz QBKZXIIGKNUKKO-KBPBESRZSA-N 2 2 301.356 2.212 10 0 DEAELP C[NH2+][C@@H](c1ccc(C(F)(F)F)cc1)[C@H]1C[N@H+](C)CCN1C ZINC000093894769 193325015 /nfs/dbraw/zinc/32/50/15/193325015.db2.gz QBKZXIIGKNUKKO-KGLIPLIRSA-N 2 2 301.356 2.212 10 0 DEAELP C[NH2+][C@@H](c1ccc(C(F)(F)F)cc1)[C@H]1C[N@@H+](C)CCN1C ZINC000093894769 193325017 /nfs/dbraw/zinc/32/50/17/193325017.db2.gz QBKZXIIGKNUKKO-KGLIPLIRSA-N 2 2 301.356 2.212 10 0 DEAELP C[NH2+][C@H]1[C@H](C[NH+]2CCN(CC(F)(F)F)CC2)CCC1(C)C ZINC000094318372 193359744 /nfs/dbraw/zinc/35/97/44/193359744.db2.gz HNLFPIVIBNSSGG-STQMWFEESA-N 2 2 307.404 2.191 10 0 DEAELP C[N@@H+]1CCO[C@@H](c2nc(-c3ccccc3)c(CC[NH3+])s2)C1 ZINC000094198738 193348705 /nfs/dbraw/zinc/34/87/05/193348705.db2.gz SJLDFBIZVUYWEU-CYBMUJFWSA-N 2 2 303.431 2.314 10 0 DEAELP C[N@H+]1CCO[C@@H](c2nc(-c3ccccc3)c(CC[NH3+])s2)C1 ZINC000094198738 193348707 /nfs/dbraw/zinc/34/87/07/193348707.db2.gz SJLDFBIZVUYWEU-CYBMUJFWSA-N 2 2 303.431 2.314 10 0 DEAELP Cc1cccc(N2CC[NH+]([C@@]3(C[NH3+])CS[C@H](C)C3)CC2)c1 ZINC000094473260 193372762 /nfs/dbraw/zinc/37/27/62/193372762.db2.gz HYCXEYWJXSVGIA-WBVHZDCISA-N 2 2 305.491 2.340 10 0 DEAELP C[NH2+][C@H]1CC(C)(C)Cc2nc([C@H]3C[NH+]4CCN3CC4)sc21 ZINC000094511059 193376051 /nfs/dbraw/zinc/37/60/51/193376051.db2.gz SLWNXGZVUQCWJA-WCQYABFASA-N 2 2 306.479 2.048 10 0 DEAELP Cc1ccc(COc2ccc(C[NH2+]CC[NH2+]CCO)cc2)cc1 ZINC000020873772 182250989 /nfs/dbraw/zinc/25/09/89/182250989.db2.gz KSIKZWPHFDICDU-UHFFFAOYSA-N 2 2 314.429 2.246 10 0 DEAELP CC[N@H+](CCOC)[C@@H](C[NH3+])c1cccc(Br)c1 ZINC000042492561 183276506 /nfs/dbraw/zinc/27/65/06/183276506.db2.gz LIVMIDLAFGXJAI-ZDUSSCGKSA-N 2 2 301.228 2.417 10 0 DEAELP CC[N@@H+](CCOC)[C@@H](C[NH3+])c1cccc(Br)c1 ZINC000042492561 183276509 /nfs/dbraw/zinc/27/65/09/183276509.db2.gz LIVMIDLAFGXJAI-ZDUSSCGKSA-N 2 2 301.228 2.417 10 0 DEAELP C[C@H]([NH3+])[C@H](N1CC[NH+](Cc2ccccc2)CC1)C(F)(F)F ZINC000043376586 183357526 /nfs/dbraw/zinc/35/75/26/183357526.db2.gz FRLOJWOZFIMWLG-JSGCOSHPSA-N 2 2 301.356 2.082 10 0 DEAELP COCCC[N@H+](C)[C@H](C[NH3+])c1cc2c(c(Cl)c1)OCO2 ZINC000062029709 184202108 /nfs/dbraw/zinc/20/21/08/184202108.db2.gz IWQVAEFRSILOFQ-GFCCVEGCSA-N 2 2 300.786 2.037 10 0 DEAELP COCCC[N@@H+](C)[C@H](C[NH3+])c1cc2c(c(Cl)c1)OCO2 ZINC000062029709 184202110 /nfs/dbraw/zinc/20/21/10/184202110.db2.gz IWQVAEFRSILOFQ-GFCCVEGCSA-N 2 2 300.786 2.037 10 0 DEAELP CCc1cc(=O)[nH]c(C[NH+]2CCC(C[NH+]3CCCC3)CC2)n1 ZINC000119894247 195056973 /nfs/dbraw/zinc/05/69/73/195056973.db2.gz DGUTVJWMKBOWCM-UHFFFAOYSA-N 2 2 304.438 2.052 10 0 DEAELP CCn1nc(C)c(C[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)n1 ZINC000294834367 224252128 /nfs/dbraw/zinc/25/21/28/224252128.db2.gz NQSZVMBTLCLGMO-HNNXBMFYSA-N 2 2 314.437 2.244 10 0 DEAELP CCn1nc(C)c(C[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)n1 ZINC000294834367 224252130 /nfs/dbraw/zinc/25/21/30/224252130.db2.gz NQSZVMBTLCLGMO-HNNXBMFYSA-N 2 2 314.437 2.244 10 0 DEAELP CC[N@@H+]1C[C@H](COC)[C@@]2(CC[NH+](Cc3cccc(C)n3)C2)C1 ZINC000503720674 257207751 /nfs/dbraw/zinc/20/77/51/257207751.db2.gz VDFBRPWJUZCKEE-AEFFLSMTSA-N 2 2 303.450 2.180 10 0 DEAELP CC[N@H+]1C[C@H](COC)[C@@]2(CC[NH+](Cc3cccc(C)n3)C2)C1 ZINC000503720674 257207753 /nfs/dbraw/zinc/20/77/53/257207753.db2.gz VDFBRPWJUZCKEE-AEFFLSMTSA-N 2 2 303.450 2.180 10 0 DEAELP CC[NH+]1C[C@H](COC)[C@@]2(CC[N@H+](Cc3cccc(C)n3)C2)C1 ZINC000503720674 257207755 /nfs/dbraw/zinc/20/77/55/257207755.db2.gz VDFBRPWJUZCKEE-AEFFLSMTSA-N 2 2 303.450 2.180 10 0 DEAELP CC[NH+]1C[C@H](COC)[C@@]2(CC[N@@H+](Cc3cccc(C)n3)C2)C1 ZINC000503720674 257207756 /nfs/dbraw/zinc/20/77/56/257207756.db2.gz VDFBRPWJUZCKEE-AEFFLSMTSA-N 2 2 303.450 2.180 10 0 DEAELP C/C=C(\CC)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000188466262 533437305 /nfs/dbraw/zinc/43/73/05/533437305.db2.gz YNTLGFXGTSAVDG-LOGLCJLVSA-N 2 2 305.466 2.112 10 0 DEAELP C/C=C(\CC)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000188466262 533437307 /nfs/dbraw/zinc/43/73/07/533437307.db2.gz YNTLGFXGTSAVDG-LOGLCJLVSA-N 2 2 305.466 2.112 10 0 DEAELP Brc1cncc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000564419500 292094762 /nfs/dbraw/zinc/09/47/62/292094762.db2.gz JCXBAZQADFPDJL-LLVKDONJSA-N 2 2 307.195 2.214 10 0 DEAELP Brc1cncc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000564419500 292094763 /nfs/dbraw/zinc/09/47/63/292094763.db2.gz JCXBAZQADFPDJL-LLVKDONJSA-N 2 2 307.195 2.214 10 0 DEAELP COCC[NH+](CCOC)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000191887563 145067097 /nfs/dbraw/zinc/06/70/97/145067097.db2.gz QYXLOYPGDCDALY-UHFFFAOYSA-N 2 2 303.406 2.276 10 0 DEAELP C[C@@H]1CC[N@H+](Cc2nnc(C3CCC3)n2C)C[C@H]1n1cc[nH+]c1 ZINC000248385382 145152592 /nfs/dbraw/zinc/15/25/92/145152592.db2.gz IENAPXGAHHQPFV-UKRRQHHQSA-N 2 2 314.437 2.362 10 0 DEAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(-c3cnn(C)c3)no2)[C@@H](C)C1 ZINC000248975734 145174272 /nfs/dbraw/zinc/17/42/72/145174272.db2.gz HOYWZYIOBVSIEI-SUMWQHHRSA-N 2 2 317.437 2.237 10 0 DEAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(-c3cnn(C)c3)no2)[C@@H](C)C1 ZINC000248975734 145174274 /nfs/dbraw/zinc/17/42/74/145174274.db2.gz HOYWZYIOBVSIEI-SUMWQHHRSA-N 2 2 317.437 2.237 10 0 DEAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(-c3cnn(C)c3)no2)[C@@H](C)C1 ZINC000248975734 145174275 /nfs/dbraw/zinc/17/42/75/145174275.db2.gz HOYWZYIOBVSIEI-SUMWQHHRSA-N 2 2 317.437 2.237 10 0 DEAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(-c3cnn(C)c3)no2)[C@@H](C)C1 ZINC000248975734 145174277 /nfs/dbraw/zinc/17/42/77/145174277.db2.gz HOYWZYIOBVSIEI-SUMWQHHRSA-N 2 2 317.437 2.237 10 0 DEAELP CCCC[C@H](C(=O)OC)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000252744182 145201173 /nfs/dbraw/zinc/20/11/73/145201173.db2.gz VXSAECIQRJLYNZ-LSDHHAIUSA-N 2 2 307.438 2.406 10 0 DEAELP Cc1ccc([C@@H]([NH3+])C(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000261609932 145209695 /nfs/dbraw/zinc/20/96/95/145209695.db2.gz DMZGPTXLMARLNL-GOSISDBHSA-N 2 2 324.428 2.175 10 0 DEAELP C[C@@]1(C[NH+]2CCN(C(=O)c3ccc(Cl)cc3)CC2)CC[NH2+]C1 ZINC000261729336 145221643 /nfs/dbraw/zinc/22/16/43/145221643.db2.gz HAMCOBRNCVQFKY-QGZVFWFLSA-N 2 2 321.852 2.097 10 0 DEAELP CCc1ccc([C@@H](C)NC(=O)C[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000261798736 145227304 /nfs/dbraw/zinc/22/73/04/145227304.db2.gz NZJMJULIAPWOEP-RHSMWYFYSA-N 2 2 317.477 2.485 10 0 DEAELP CCc1ccc([C@@H](C)NC(=O)C[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000261798736 145227305 /nfs/dbraw/zinc/22/73/05/145227305.db2.gz NZJMJULIAPWOEP-RHSMWYFYSA-N 2 2 317.477 2.485 10 0 DEAELP COc1ccc(OC)c([C@H](C)[NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)c1 ZINC000261822041 145230798 /nfs/dbraw/zinc/23/07/98/145230798.db2.gz ASAQAJBUKBMMNN-MELADBBJSA-N 2 2 308.422 2.121 10 0 DEAELP [NH3+]C1(C(=O)Nc2ccc3[nH]c(C4CCC4)[nH+]c3c2)CCOCC1 ZINC000261911945 145241218 /nfs/dbraw/zinc/24/12/18/145241218.db2.gz TVQFSJGFCYBYBC-UHFFFAOYSA-N 2 2 314.389 2.277 10 0 DEAELP CC[N@H+](C[C@]1(C)CC[NH2+]C1)[C@H]1CCN(c2ccccc2)C1=O ZINC000262089210 145260550 /nfs/dbraw/zinc/26/05/50/145260550.db2.gz UPNAAGFYTQNJLU-FUHWJXTLSA-N 2 2 301.434 2.113 10 0 DEAELP CC[N@@H+](C[C@]1(C)CC[NH2+]C1)[C@H]1CCN(c2ccccc2)C1=O ZINC000262089210 145260554 /nfs/dbraw/zinc/26/05/54/145260554.db2.gz UPNAAGFYTQNJLU-FUHWJXTLSA-N 2 2 301.434 2.113 10 0 DEAELP C[C@@H](NC(=O)C[N@H+](C)[C@H]1CCC[NH2+]CC1)c1ccc(F)cc1 ZINC000262460636 145285035 /nfs/dbraw/zinc/28/50/35/145285035.db2.gz INMXDASLVQNBAA-CJNGLKHVSA-N 2 2 307.413 2.077 10 0 DEAELP C[C@@H](NC(=O)C[N@@H+](C)[C@H]1CCC[NH2+]CC1)c1ccc(F)cc1 ZINC000262460636 145285036 /nfs/dbraw/zinc/28/50/36/145285036.db2.gz INMXDASLVQNBAA-CJNGLKHVSA-N 2 2 307.413 2.077 10 0 DEAELP C[C@@H]1Cc2ccccc2N1C(=O)C[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000262573568 145294519 /nfs/dbraw/zinc/29/45/19/145294519.db2.gz XTPLJDIEIIONND-CJNGLKHVSA-N 2 2 301.434 2.023 10 0 DEAELP C[C@@H]1Cc2ccccc2N1C(=O)C[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000262573568 145294520 /nfs/dbraw/zinc/29/45/20/145294520.db2.gz XTPLJDIEIIONND-CJNGLKHVSA-N 2 2 301.434 2.023 10 0 DEAELP CC[N@H+](CCN)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000263025927 145319109 /nfs/dbraw/zinc/31/91/09/145319109.db2.gz RJKTVPDMIRQRJY-UHFFFAOYSA-N 2 2 305.470 2.158 10 0 DEAELP CC[N@@H+](CCN)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000263025927 145319111 /nfs/dbraw/zinc/31/91/11/145319111.db2.gz RJKTVPDMIRQRJY-UHFFFAOYSA-N 2 2 305.470 2.158 10 0 DEAELP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccc(-c2ccccc2)cc1F ZINC000263223035 145338098 /nfs/dbraw/zinc/33/80/98/145338098.db2.gz MFAMYEGCZQZLFR-FUHWJXTLSA-N 2 2 300.377 2.163 10 0 DEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000073665450 401720049 /nfs/dbraw/zinc/72/00/49/401720049.db2.gz GAXRFQSEPZZTQL-OAHLLOKOSA-N 2 2 321.469 2.213 10 0 DEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N2C[C@H](C)C[C@H](C)C2)[C@H](C)C1 ZINC000079461687 401873218 /nfs/dbraw/zinc/87/32/18/401873218.db2.gz DOOSFPZCKZCRRT-TWMKSMIVSA-N 2 2 309.498 2.153 10 0 DEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N2C[C@H](C)C[C@H](C)C2)[C@H](C)C1 ZINC000079461687 401873220 /nfs/dbraw/zinc/87/32/20/401873220.db2.gz DOOSFPZCKZCRRT-TWMKSMIVSA-N 2 2 309.498 2.153 10 0 DEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N2C[C@H](C)C[C@H](C)C2)[C@H](C)C1 ZINC000079461687 401873222 /nfs/dbraw/zinc/87/32/22/401873222.db2.gz DOOSFPZCKZCRRT-TWMKSMIVSA-N 2 2 309.498 2.153 10 0 DEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N2C[C@H](C)C[C@H](C)C2)[C@H](C)C1 ZINC000079461687 401873224 /nfs/dbraw/zinc/87/32/24/401873224.db2.gz DOOSFPZCKZCRRT-TWMKSMIVSA-N 2 2 309.498 2.153 10 0 DEAELP CCCCOC(=O)C[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000151112503 402017093 /nfs/dbraw/zinc/01/70/93/402017093.db2.gz SKBBSCNVMWIZFI-HNNXBMFYSA-N 2 2 305.422 2.467 10 0 DEAELP CCCCOC(=O)C[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000151112503 402017096 /nfs/dbraw/zinc/01/70/96/402017096.db2.gz SKBBSCNVMWIZFI-HNNXBMFYSA-N 2 2 305.422 2.467 10 0 DEAELP c1cc(NC2CC[NH+](C[C@H]3CCOC3)CC2)nc(C2CC2)[nH+]1 ZINC000123060303 402108504 /nfs/dbraw/zinc/10/85/04/402108504.db2.gz WTIXOQJOYJLCIF-CYBMUJFWSA-N 2 2 302.422 2.267 10 0 DEAELP COc1cc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)cc2c1OCCO2 ZINC000062254734 402109687 /nfs/dbraw/zinc/10/96/87/402109687.db2.gz YWVDKNKRAFIRSN-CYBMUJFWSA-N 2 2 317.389 2.089 10 0 DEAELP C[C@H]1C[C@@H]([NH+](C)CC(=O)NCCC2CCCCC2)CC[N@@H+]1C ZINC000123114479 402111224 /nfs/dbraw/zinc/11/12/24/402111224.db2.gz YEPYTIQMUNNQKD-RDJZCZTQSA-N 2 2 309.498 2.488 10 0 DEAELP C[C@H]1C[C@@H]([NH+](C)CC(=O)NCCC2CCCCC2)CC[N@H+]1C ZINC000123114479 402111225 /nfs/dbraw/zinc/11/12/25/402111225.db2.gz YEPYTIQMUNNQKD-RDJZCZTQSA-N 2 2 309.498 2.488 10 0 DEAELP C[C@H]1C[C@@H]([N@H+](C)CC(=O)NCCC2CCCCC2)CC[NH+]1C ZINC000123114479 402111227 /nfs/dbraw/zinc/11/12/27/402111227.db2.gz YEPYTIQMUNNQKD-RDJZCZTQSA-N 2 2 309.498 2.488 10 0 DEAELP C[C@H]1C[C@@H]([N@@H+](C)CC(=O)NCCC2CCCCC2)CC[NH+]1C ZINC000123114479 402111228 /nfs/dbraw/zinc/11/12/28/402111228.db2.gz YEPYTIQMUNNQKD-RDJZCZTQSA-N 2 2 309.498 2.488 10 0 DEAELP CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCOCC2)c1 ZINC000153097854 402126481 /nfs/dbraw/zinc/12/64/81/402126481.db2.gz AEBZWLKBNQMDJV-LSDHHAIUSA-N 2 2 319.449 2.264 10 0 DEAELP C[C@@H]1C[C@@H]([NH+](C)CC(=O)N2CCc3sccc3C2)CC[N@@H+]1C ZINC000123463169 402129203 /nfs/dbraw/zinc/12/92/03/402129203.db2.gz NUWCQTXDVOODJZ-HIFRSBDPSA-N 2 2 321.490 2.047 10 0 DEAELP C[C@@H]1C[C@@H]([NH+](C)CC(=O)N2CCc3sccc3C2)CC[N@H+]1C ZINC000123463169 402129205 /nfs/dbraw/zinc/12/92/05/402129205.db2.gz NUWCQTXDVOODJZ-HIFRSBDPSA-N 2 2 321.490 2.047 10 0 DEAELP C[C@@H]1C[C@@H]([N@H+](C)CC(=O)N2CCc3sccc3C2)CC[NH+]1C ZINC000123463169 402129208 /nfs/dbraw/zinc/12/92/08/402129208.db2.gz NUWCQTXDVOODJZ-HIFRSBDPSA-N 2 2 321.490 2.047 10 0 DEAELP C[C@@H]1C[C@@H]([N@@H+](C)CC(=O)N2CCc3sccc3C2)CC[NH+]1C ZINC000123463169 402129209 /nfs/dbraw/zinc/12/92/09/402129209.db2.gz NUWCQTXDVOODJZ-HIFRSBDPSA-N 2 2 321.490 2.047 10 0 DEAELP CCCc1noc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)n1 ZINC000123836228 402148888 /nfs/dbraw/zinc/14/88/88/402148888.db2.gz BIVROFMVFWOODD-CYBMUJFWSA-N 2 2 303.410 2.210 10 0 DEAELP CCCc1noc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)n1 ZINC000123836228 402148891 /nfs/dbraw/zinc/14/88/91/402148891.db2.gz BIVROFMVFWOODD-CYBMUJFWSA-N 2 2 303.410 2.210 10 0 DEAELP COc1ccc(C[NH+]2CCC([N@@H+]3CCO[C@H](C)C3)CC2)cc1 ZINC000124123194 402165107 /nfs/dbraw/zinc/16/51/07/402165107.db2.gz LZZIYKIOYNAVIA-OAHLLOKOSA-N 2 2 304.434 2.380 10 0 DEAELP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccc(N2CCOC2=O)cc1 ZINC000154530272 402216945 /nfs/dbraw/zinc/21/69/45/402216945.db2.gz NENISEVDKXVLBB-CJNGLKHVSA-N 2 2 303.406 2.388 10 0 DEAELP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccc(N2CCOC2=O)cc1 ZINC000154530272 402216946 /nfs/dbraw/zinc/21/69/46/402216946.db2.gz NENISEVDKXVLBB-CJNGLKHVSA-N 2 2 303.406 2.388 10 0 DEAELP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1cccc(OCC[NH+](C)C)c1 ZINC000154551000 402218069 /nfs/dbraw/zinc/21/80/69/402218069.db2.gz HRWVURMGUAARAB-WBVHZDCISA-N 3 2 305.466 2.372 10 0 DEAELP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1cccc(OCC[NH+](C)C)c1 ZINC000154551000 402218071 /nfs/dbraw/zinc/21/80/71/402218071.db2.gz HRWVURMGUAARAB-WBVHZDCISA-N 3 2 305.466 2.372 10 0 DEAELP c1cn(-c2ccc(C[N@H+]3CCC[C@@H](Cn4cncn4)C3)cc2)c[nH+]1 ZINC000069662471 402238083 /nfs/dbraw/zinc/23/80/83/402238083.db2.gz NVDXPDCDKSOWHE-QGZVFWFLSA-N 2 2 322.416 2.376 10 0 DEAELP c1cn(-c2ccc(C[N@@H+]3CCC[C@@H](Cn4cncn4)C3)cc2)c[nH+]1 ZINC000069662471 402238085 /nfs/dbraw/zinc/23/80/85/402238085.db2.gz NVDXPDCDKSOWHE-QGZVFWFLSA-N 2 2 322.416 2.376 10 0 DEAELP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1cnccn1 ZINC000126198945 402268907 /nfs/dbraw/zinc/26/89/07/402268907.db2.gz YSNRKOGUUCXRPV-ZOBUZTSGSA-N 2 2 311.433 2.433 10 0 DEAELP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1cnccn1 ZINC000126198945 402268909 /nfs/dbraw/zinc/26/89/09/402268909.db2.gz YSNRKOGUUCXRPV-ZOBUZTSGSA-N 2 2 311.433 2.433 10 0 DEAELP Cc1[nH+]c2ccccc2n1CC(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186527478 402439274 /nfs/dbraw/zinc/43/92/74/402439274.db2.gz AJOBNTBXAPMXSR-AWEZNQCLSA-N 2 2 312.417 2.088 10 0 DEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1F ZINC000178291307 402480662 /nfs/dbraw/zinc/48/06/62/402480662.db2.gz MSXKWQDBCBGBJV-CQSZACIVSA-N 2 2 316.380 2.434 10 0 DEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)Nc1ccccc1F ZINC000178291307 402480664 /nfs/dbraw/zinc/48/06/64/402480664.db2.gz MSXKWQDBCBGBJV-CQSZACIVSA-N 2 2 316.380 2.434 10 0 DEAELP Cc1cc(C)n2c(C[NH+](C)[C@H]3CC[N@H+](C)[C@@H](C)C3)cnc2n1 ZINC000245795528 402488366 /nfs/dbraw/zinc/48/83/66/402488366.db2.gz WVFMVTJDYVVOFN-ZFWWWQNUSA-N 2 2 301.438 2.261 10 0 DEAELP Cc1cc(C)n2c(C[NH+](C)[C@H]3CC[N@@H+](C)[C@@H](C)C3)cnc2n1 ZINC000245795528 402488369 /nfs/dbraw/zinc/48/83/69/402488369.db2.gz WVFMVTJDYVVOFN-ZFWWWQNUSA-N 2 2 301.438 2.261 10 0 DEAELP Cc1cc(C)n2c(C[N@@H+](C)[C@H]3CC[NH+](C)[C@@H](C)C3)cnc2n1 ZINC000245795528 402488372 /nfs/dbraw/zinc/48/83/72/402488372.db2.gz WVFMVTJDYVVOFN-ZFWWWQNUSA-N 2 2 301.438 2.261 10 0 DEAELP Cc1cc(C)n2c(C[N@H+](C)[C@H]3CC[NH+](C)[C@@H](C)C3)cnc2n1 ZINC000245795528 402488375 /nfs/dbraw/zinc/48/83/75/402488375.db2.gz WVFMVTJDYVVOFN-ZFWWWQNUSA-N 2 2 301.438 2.261 10 0 DEAELP CC(C)n1cc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)cn1 ZINC000179489430 402592135 /nfs/dbraw/zinc/59/21/35/402592135.db2.gz PLHOVIPOPRFKPU-SFHVURJKSA-N 2 2 319.497 2.066 10 0 DEAELP CC(C)n1cc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)cn1 ZINC000179489430 402592136 /nfs/dbraw/zinc/59/21/36/402592136.db2.gz PLHOVIPOPRFKPU-SFHVURJKSA-N 2 2 319.497 2.066 10 0 DEAELP Cc1cccc(NC[C@@H]2CC[N@@H+](CC(=O)OCC(C)C)C2)[nH+]1 ZINC000181462147 402646028 /nfs/dbraw/zinc/64/60/28/402646028.db2.gz CJKCAAMFZGPKPH-HNNXBMFYSA-N 2 2 305.422 2.323 10 0 DEAELP Cc1cccc(NC[C@@H]2CC[N@H+](CC(=O)OCC(C)C)C2)[nH+]1 ZINC000181462147 402646031 /nfs/dbraw/zinc/64/60/31/402646031.db2.gz CJKCAAMFZGPKPH-HNNXBMFYSA-N 2 2 305.422 2.323 10 0 DEAELP O=C(c1cccs1)N1CCC[N@H+](CCCn2cc[nH+]c2)CC1 ZINC000183177909 402745226 /nfs/dbraw/zinc/74/52/26/402745226.db2.gz SZMXNNUFIKMJBJ-UHFFFAOYSA-N 2 2 318.446 2.183 10 0 DEAELP O=C(c1cccs1)N1CCC[N@@H+](CCCn2cc[nH+]c2)CC1 ZINC000183177909 402745228 /nfs/dbraw/zinc/74/52/28/402745228.db2.gz SZMXNNUFIKMJBJ-UHFFFAOYSA-N 2 2 318.446 2.183 10 0 DEAELP C[C@@H](NC(=O)NCCn1cc[nH+]c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000174012909 402723603 /nfs/dbraw/zinc/72/36/03/402723603.db2.gz QIUDDCFGEJTDPI-CQSZACIVSA-N 2 2 324.388 2.129 10 0 DEAELP CCCC[N@@H+]1CCOC[C@@H]1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000184251723 402830714 /nfs/dbraw/zinc/83/07/14/402830714.db2.gz PBGAHFBFPXEMCY-QGZVFWFLSA-N 2 2 319.449 2.188 10 0 DEAELP CCCC[N@H+]1CCOC[C@@H]1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000184251723 402830715 /nfs/dbraw/zinc/83/07/15/402830715.db2.gz PBGAHFBFPXEMCY-QGZVFWFLSA-N 2 2 319.449 2.188 10 0 DEAELP C[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)C1 ZINC000195515808 402849039 /nfs/dbraw/zinc/84/90/39/402849039.db2.gz LMTWNEASGQDDEO-JKSUJKDBSA-N 2 2 316.449 2.074 10 0 DEAELP C[C@H]1CCCN(C(=O)C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)C1 ZINC000195515808 402849040 /nfs/dbraw/zinc/84/90/40/402849040.db2.gz LMTWNEASGQDDEO-JKSUJKDBSA-N 2 2 316.449 2.074 10 0 DEAELP CCO[C@@H]1C[C@@H]([NH2+]C[C@H](C)C[NH+]2CCOCC2)C12CCCC2 ZINC000245955738 286284262 /nfs/dbraw/zinc/28/42/62/286284262.db2.gz XFZALGYTIBAMEF-GVDBMIGSSA-N 2 2 310.482 2.282 10 0 DEAELP Cn1cc([C@H]2OCCC[C@@H]2[NH2+]Cc2cccc3[nH+]ccn32)cn1 ZINC000275648411 403112202 /nfs/dbraw/zinc/11/22/02/403112202.db2.gz UEMZLXOGDNEPFB-DOTOQJQBSA-N 2 2 311.389 2.078 10 0 DEAELP Cc1cc(NC[C@@H]2C[NH+]3CCN2CC3)c2cc(F)ccc2[nH+]1 ZINC000301762528 403675373 /nfs/dbraw/zinc/67/53/73/403675373.db2.gz GOKZEUXMCRONKX-CQSZACIVSA-N 2 2 300.381 2.094 10 0 DEAELP Cc1cc(NC[C@@H]2CN3CC[NH+]2CC3)c2cc(F)ccc2[nH+]1 ZINC000301762528 403675376 /nfs/dbraw/zinc/67/53/76/403675376.db2.gz GOKZEUXMCRONKX-CQSZACIVSA-N 2 2 300.381 2.094 10 0 DEAELP CC(=O)N1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)[C@@H](C)C1 ZINC000361833943 403895913 /nfs/dbraw/zinc/89/59/13/403895913.db2.gz QFBCHQOBAZQPOX-HNNXBMFYSA-N 2 2 312.417 2.233 10 0 DEAELP CC(=O)N1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)[C@@H](C)C1 ZINC000361833943 403895920 /nfs/dbraw/zinc/89/59/20/403895920.db2.gz QFBCHQOBAZQPOX-HNNXBMFYSA-N 2 2 312.417 2.233 10 0 DEAELP Cc1nc(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)nc(N)[nH+]1 ZINC000310481752 403965886 /nfs/dbraw/zinc/96/58/86/403965886.db2.gz DZKBTPRDVUZVOY-OWCLPIDISA-N 2 2 324.432 2.085 10 0 DEAELP Cc1nc(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)nc(N)[nH+]1 ZINC000310481752 403965888 /nfs/dbraw/zinc/96/58/88/403965888.db2.gz DZKBTPRDVUZVOY-OWCLPIDISA-N 2 2 324.432 2.085 10 0 DEAELP Cc1nc(N)nc(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)[nH+]1 ZINC000310481752 403965892 /nfs/dbraw/zinc/96/58/92/403965892.db2.gz DZKBTPRDVUZVOY-OWCLPIDISA-N 2 2 324.432 2.085 10 0 DEAELP Cc1nc(N)nc(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)[nH+]1 ZINC000310481752 403965894 /nfs/dbraw/zinc/96/58/94/403965894.db2.gz DZKBTPRDVUZVOY-OWCLPIDISA-N 2 2 324.432 2.085 10 0 DEAELP Clc1ccc2c(c1)[nH+]ccc2N1CC[N@@H+]2CCOC[C@H]2C1 ZINC000369409687 404083662 /nfs/dbraw/zinc/08/36/62/404083662.db2.gz SLWARQKITOMDIT-CYBMUJFWSA-N 2 2 303.793 2.409 10 0 DEAELP Clc1ccc2c(c1)[nH+]ccc2N1CC[N@H+]2CCOC[C@H]2C1 ZINC000369409687 404083671 /nfs/dbraw/zinc/08/36/71/404083671.db2.gz SLWARQKITOMDIT-CYBMUJFWSA-N 2 2 303.793 2.409 10 0 DEAELP CC1CC[NH+](Cc2nc([C@@H]3C[N@@H+]4CCC[C@@]4(C)CO3)no2)CC1 ZINC000329633813 404402496 /nfs/dbraw/zinc/40/24/96/404402496.db2.gz XIGGRYXUWGCVDL-YOEHRIQHSA-N 2 2 320.437 2.227 10 0 DEAELP CC1CC[NH+](Cc2nc([C@@H]3C[N@H+]4CCC[C@@]4(C)CO3)no2)CC1 ZINC000329633813 404402502 /nfs/dbraw/zinc/40/25/02/404402502.db2.gz XIGGRYXUWGCVDL-YOEHRIQHSA-N 2 2 320.437 2.227 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCC[C@H]([NH+](C)C)C1)C2 ZINC000364550876 404444112 /nfs/dbraw/zinc/44/41/12/404444112.db2.gz IJIKYEYOBFLYFV-KBPBESRZSA-N 2 2 318.465 2.191 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCC[C@H]([NH+](C)C)C1)CC2 ZINC000364550876 404444113 /nfs/dbraw/zinc/44/41/13/404444113.db2.gz IJIKYEYOBFLYFV-KBPBESRZSA-N 2 2 318.465 2.191 10 0 DEAELP O=C1[C@@H]([N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)CCN1C1CC1 ZINC000361400143 405055914 /nfs/dbraw/zinc/05/59/14/405055914.db2.gz MBDYYGXKWZHHAB-AEFFLSMTSA-N 2 2 319.493 2.338 10 0 DEAELP O=C1[C@@H]([N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)CCN1C1CC1 ZINC000361400143 405055920 /nfs/dbraw/zinc/05/59/20/405055920.db2.gz MBDYYGXKWZHHAB-AEFFLSMTSA-N 2 2 319.493 2.338 10 0 DEAELP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH+]3CC[C@]34CCOC4)C2)cc1 ZINC000421016996 405430869 /nfs/dbraw/zinc/43/08/69/405430869.db2.gz JPVFPBBLGWESEE-RTBURBONSA-N 2 2 316.445 2.142 10 0 DEAELP c1ccc(C[N@H+]2CCCO[C@@H](C[NH+]3CC[C@]34CCOC4)C2)cc1 ZINC000421016996 405430873 /nfs/dbraw/zinc/43/08/73/405430873.db2.gz JPVFPBBLGWESEE-RTBURBONSA-N 2 2 316.445 2.142 10 0 DEAELP c1ccc(C[NH+]2CCCO[C@@H](C[N@@H+]3CC[C@]34CCOC4)C2)cc1 ZINC000421016996 405430876 /nfs/dbraw/zinc/43/08/76/405430876.db2.gz JPVFPBBLGWESEE-RTBURBONSA-N 2 2 316.445 2.142 10 0 DEAELP c1ccc(C[NH+]2CCCO[C@@H](C[N@H+]3CC[C@]34CCOC4)C2)cc1 ZINC000421016996 405430879 /nfs/dbraw/zinc/43/08/79/405430879.db2.gz JPVFPBBLGWESEE-RTBURBONSA-N 2 2 316.445 2.142 10 0 DEAELP CO[C@]1(C[NH2+]C[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CCOC1 ZINC000638449388 405476854 /nfs/dbraw/zinc/47/68/54/405476854.db2.gz PBXDMFWYMBURNQ-OALUTQOASA-N 2 2 318.461 2.436 10 0 DEAELP CO[C@]1(C[NH2+]C[C@@H]2CCCC[N@H+]2Cc2ccccc2)CCOC1 ZINC000638449388 405476864 /nfs/dbraw/zinc/47/68/64/405476864.db2.gz PBXDMFWYMBURNQ-OALUTQOASA-N 2 2 318.461 2.436 10 0 DEAELP c1cc(C[NH2+]CCC[C@@H]2CCO2)cc(C[NH+]2CCOCC2)c1 ZINC000638386375 406739956 /nfs/dbraw/zinc/73/99/56/406739956.db2.gz LMVIOXBSWTXOPA-GOSISDBHSA-N 2 2 304.434 2.178 10 0 DEAELP [NH3+]C1CCN([C@H]2CC[N@H+](Cc3c(F)cccc3Cl)C2)CC1 ZINC000130602200 196094514 /nfs/dbraw/zinc/09/45/14/196094514.db2.gz CRSUIFRIMQAJBV-ZDUSSCGKSA-N 2 2 311.832 2.477 10 0 DEAELP [NH3+]C1CCN([C@H]2CC[N@@H+](Cc3c(F)cccc3Cl)C2)CC1 ZINC000130602200 196094516 /nfs/dbraw/zinc/09/45/16/196094516.db2.gz CRSUIFRIMQAJBV-ZDUSSCGKSA-N 2 2 311.832 2.477 10 0 DEAELP CCNc1nc(N[C@@H](C)CC[NH+](C)C)c(Br)c[nH+]1 ZINC000131207752 196149423 /nfs/dbraw/zinc/14/94/23/196149423.db2.gz SMWLKIKOKKWJJK-VIFPVBQESA-N 2 2 316.247 2.423 10 0 DEAELP CCNc1nc(NCC[NH+]2CCCC2)c(Br)c[nH+]1 ZINC000132855540 196291215 /nfs/dbraw/zinc/29/12/15/196291215.db2.gz GBNYTGHPNRHPDO-UHFFFAOYSA-N 2 2 314.231 2.179 10 0 DEAELP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](C)c1cccc(Br)c1 ZINC000310733488 424894543 /nfs/dbraw/zinc/89/45/43/424894543.db2.gz FOMWXYLMADTYLK-BXUZGUMPSA-N 2 2 315.255 2.412 10 0 DEAELP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)c1cccc(Br)c1 ZINC000310733488 424894546 /nfs/dbraw/zinc/89/45/46/424894546.db2.gz FOMWXYLMADTYLK-BXUZGUMPSA-N 2 2 315.255 2.412 10 0 DEAELP Cc1c[nH+]ccc1CC[NH2+]C[C@@H]1CCCO[C@H]1c1nccn1C ZINC000657416774 425330167 /nfs/dbraw/zinc/33/01/67/425330167.db2.gz FNYRHBCCPSWYFX-DLBZAZTESA-N 2 2 314.433 2.424 10 0 DEAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2nc(-c3ccco3)no2)[C@H](C)C1 ZINC000081096696 267379211 /nfs/dbraw/zinc/37/92/11/267379211.db2.gz LJTULEBFSJSJII-CHWSQXEVSA-N 2 2 304.394 2.492 10 0 DEAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2nc(-c3ccco3)no2)[C@H](C)C1 ZINC000081096696 267379214 /nfs/dbraw/zinc/37/92/14/267379214.db2.gz LJTULEBFSJSJII-CHWSQXEVSA-N 2 2 304.394 2.492 10 0 DEAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2nc(-c3ccco3)no2)[C@H](C)C1 ZINC000081096696 267379217 /nfs/dbraw/zinc/37/92/17/267379217.db2.gz LJTULEBFSJSJII-CHWSQXEVSA-N 2 2 304.394 2.492 10 0 DEAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2nc(-c3ccco3)no2)[C@H](C)C1 ZINC000081096696 267379220 /nfs/dbraw/zinc/37/92/20/267379220.db2.gz LJTULEBFSJSJII-CHWSQXEVSA-N 2 2 304.394 2.492 10 0 DEAELP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCCCOCc1ccccc1 ZINC000390553586 269097228 /nfs/dbraw/zinc/09/72/28/269097228.db2.gz FPUJORLPCWZMAK-FUHWJXTLSA-N 2 2 306.450 2.340 10 0 DEAELP C[NH+]1CCC([N@@H+]2CC[C@H]3COC(=O)N3c3ccccc3C2)CC1 ZINC000225482048 277029132 /nfs/dbraw/zinc/02/91/32/277029132.db2.gz GHLPRPAJNHPMKN-INIZCTEOSA-N 2 2 315.417 2.312 10 0 DEAELP C[NH+]1CCC([N@H+]2CC[C@H]3COC(=O)N3c3ccccc3C2)CC1 ZINC000225482048 277029133 /nfs/dbraw/zinc/02/91/33/277029133.db2.gz GHLPRPAJNHPMKN-INIZCTEOSA-N 2 2 315.417 2.312 10 0 DEAELP CC(C)=CCNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000189319753 277325860 /nfs/dbraw/zinc/32/58/60/277325860.db2.gz SJPCHZJXMQTHBV-UHFFFAOYSA-N 2 2 322.497 2.202 10 0 DEAELP CC(C)c1nnc(C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)n1C ZINC000245724683 278099419 /nfs/dbraw/zinc/09/94/19/278099419.db2.gz VCRGXMATTBINCB-ZIAGYGMSSA-N 2 2 302.426 2.218 10 0 DEAELP CC(C)c1nnc(C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)n1C ZINC000245724683 278099421 /nfs/dbraw/zinc/09/94/21/278099421.db2.gz VCRGXMATTBINCB-ZIAGYGMSSA-N 2 2 302.426 2.218 10 0 DEAELP CC1(C)C[N@@H+]([C@@H]2CCCN(c3cccc(F)c3)C2=O)CC[C@H]1[NH3+] ZINC000261841956 278340360 /nfs/dbraw/zinc/34/03/60/278340360.db2.gz QQCUUBJZJXGMHU-HZPDHXFCSA-N 2 2 319.424 2.380 10 0 DEAELP CC1(C)C[N@H+]([C@@H]2CCCN(c3cccc(F)c3)C2=O)CC[C@H]1[NH3+] ZINC000261841956 278340361 /nfs/dbraw/zinc/34/03/61/278340361.db2.gz QQCUUBJZJXGMHU-HZPDHXFCSA-N 2 2 319.424 2.380 10 0 DEAELP Cc1ccc(OC[C@H](O)C[NH+]2CCC([NH2+]C(C)C)CC2)cc1 ZINC000108370770 281670294 /nfs/dbraw/zinc/67/02/94/281670294.db2.gz XIGUPSFSMKYLMA-QGZVFWFLSA-N 2 2 306.450 2.197 10 0 DEAELP C[NH+]1CCC(CNC(=O)C2CC=CC2)([NH+]2CCCCC2)CC1 ZINC000172750520 289877502 /nfs/dbraw/zinc/87/75/02/289877502.db2.gz HIQSZDOUPXYSID-UHFFFAOYSA-N 2 2 305.466 2.019 10 0 DEAELP CCOC[C@H](O)C[NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000398045859 337304958 /nfs/dbraw/zinc/30/49/58/337304958.db2.gz BQECGONGEKTQDJ-QZTJIDSGSA-N 2 2 306.450 2.028 10 0 DEAELP CCOC[C@H](O)C[NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000398045859 337304959 /nfs/dbraw/zinc/30/49/59/337304959.db2.gz BQECGONGEKTQDJ-QZTJIDSGSA-N 2 2 306.450 2.028 10 0 DEAELP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@H]3CC[C@@H]([NH3+])C3)n2)C1 ZINC000246213914 524238269 /nfs/dbraw/zinc/23/82/69/524238269.db2.gz GAENEIVDHMLEKG-FRRDWIJNSA-N 2 2 322.478 2.441 10 0 DEAELP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@H]3CC[C@@H]([NH3+])C3)n2)C1 ZINC000246213914 524238278 /nfs/dbraw/zinc/23/82/78/524238278.db2.gz GAENEIVDHMLEKG-FRRDWIJNSA-N 2 2 322.478 2.441 10 0 DEAELP CCOCC[N@@H+]1CCN(c2nc(C)[nH+]c3c2CCCC3)C[C@@H]1C ZINC000302061795 528758006 /nfs/dbraw/zinc/75/80/06/528758006.db2.gz UBSHTRIQHJWAEG-AWEZNQCLSA-N 2 2 318.465 2.211 10 0 DEAELP CCOCC[N@H+]1CCN(c2nc(C)[nH+]c3c2CCCC3)C[C@@H]1C ZINC000302061795 528758016 /nfs/dbraw/zinc/75/80/16/528758016.db2.gz UBSHTRIQHJWAEG-AWEZNQCLSA-N 2 2 318.465 2.211 10 0 DEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cn1c2ccccc2oc1=O ZINC000176072095 624612905 /nfs/dbraw/zinc/61/29/05/624612905.db2.gz LYOSHAOGCVVJSR-AWEZNQCLSA-N 2 2 312.373 2.222 10 0 DEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cn1c2ccccc2oc1=O ZINC000176072095 624612906 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OC[C@@H]([NH2+]CCCn1cc[nH+]c1)c1cccc(Br)c1 ZINC000183898368 186229095 /nfs/dbraw/zinc/22/90/95/186229095.db2.gz LNETXNBNMULSFY-CQSZACIVSA-N 2 2 324.222 2.359 10 0 DEAELP C[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccccc1F ZINC000042327618 354192966 /nfs/dbraw/zinc/19/29/66/354192966.db2.gz CNAFCWDTVAPWRP-UHFFFAOYSA-N 2 2 319.424 2.001 10 0 DEAELP C[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccccc1F ZINC000042327618 354192970 /nfs/dbraw/zinc/19/29/70/354192970.db2.gz CNAFCWDTVAPWRP-UHFFFAOYSA-N 2 2 319.424 2.001 10 0 DEAELP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000370529477 283126368 /nfs/dbraw/zinc/12/63/68/283126368.db2.gz UDIKHPAWMDWINU-LXTVHRRPSA-N 2 2 318.465 2.312 10 0 DEAELP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000370529477 283126371 /nfs/dbraw/zinc/12/63/71/283126371.db2.gz UDIKHPAWMDWINU-LXTVHRRPSA-N 2 2 318.465 2.312 10 0 DEAELP C[C@H](c1nc(C2CC2)no1)[N@H+](C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000328655572 356466342 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C[C@H](NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)C1CC[NH+](C)CC1 ZINC000606701376 361034294 /nfs/dbraw/zinc/03/42/94/361034294.db2.gz BIXMNHHKWMOPLJ-ZDUSSCGKSA-N 2 2 319.453 2.029 10 0 DEAELP CCC[NH+]1CCC(NC(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000608313783 361196605 /nfs/dbraw/zinc/19/66/05/361196605.db2.gz NFVMWZPTPHNIMN-UHFFFAOYSA-N 2 2 301.394 2.330 10 0 DEAELP CCN(CC)C(=O)C[C@H](C[NH3+])[N@H+](C)Cc1ccc(Cl)cc1 ZINC000091322729 193040756 /nfs/dbraw/zinc/04/07/56/193040756.db2.gz MNXMARGXKCSSKP-OAHLLOKOSA-N 2 2 311.857 2.358 10 0 DEAELP CCN(CC)C(=O)C[C@H](C[NH3+])[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000091322729 193040758 /nfs/dbraw/zinc/04/07/58/193040758.db2.gz MNXMARGXKCSSKP-OAHLLOKOSA-N 2 2 311.857 2.358 10 0 DEAELP CCS(=O)(=O)CCC[C@@H]([NH2+]C)C1([NH+]2CCCC2)CCCC1 ZINC000091640835 193082363 /nfs/dbraw/zinc/08/23/63/193082363.db2.gz UTDZOTKREHGNDR-OAHLLOKOSA-N 2 2 316.511 2.198 10 0 DEAELP [NH3+][C@@H]1C=C[C@@H](C(=O)Nc2cccc(Cl)c2-n2cc[nH+]c2)C1 ZINC000092202399 193172742 /nfs/dbraw/zinc/17/27/42/193172742.db2.gz PQENOCWYAPSSQF-GHMZBOCLSA-N 2 2 302.765 2.368 10 0 DEAELP COCC[NH2+]C[C@@H]1CCC[N@@H+]1C[C@@H]1Cc2ccccc2S1 ZINC000092263088 193182897 /nfs/dbraw/zinc/18/28/97/193182897.db2.gz SQSRFLNZDBTDPH-HOTGVXAUSA-N 2 2 306.475 2.404 10 0 DEAELP COCC[NH2+]C[C@@H]1CCC[N@H+]1C[C@@H]1Cc2ccccc2S1 ZINC000092263088 193182899 /nfs/dbraw/zinc/18/28/99/193182899.db2.gz SQSRFLNZDBTDPH-HOTGVXAUSA-N 2 2 306.475 2.404 10 0 DEAELP C[NH2+][C@@H](Cc1ccc(Cl)cc1Cl)[C@@H]1C[N@H+](C)CCN1C ZINC000093894727 193324535 /nfs/dbraw/zinc/32/45/35/193324535.db2.gz KLMNNUVZFXBCAA-GJZGRUSLSA-N 2 2 316.276 2.370 10 0 DEAELP C[NH2+][C@@H](Cc1ccc(Cl)cc1Cl)[C@@H]1C[N@@H+](C)CCN1C ZINC000093894727 193324536 /nfs/dbraw/zinc/32/45/36/193324536.db2.gz KLMNNUVZFXBCAA-GJZGRUSLSA-N 2 2 316.276 2.370 10 0 DEAELP C[NH2+][C@@H](c1ccc(Cl)c(Cl)c1)[C@@H]1C[N@H+](C)CCN1C ZINC000093894635 193324635 /nfs/dbraw/zinc/32/46/35/193324635.db2.gz ZSMHPYVTHVDKNE-KBPBESRZSA-N 2 2 302.249 2.500 10 0 DEAELP C[NH2+][C@@H](c1ccc(Cl)c(Cl)c1)[C@@H]1C[N@@H+](C)CCN1C ZINC000093894635 193324636 /nfs/dbraw/zinc/32/46/36/193324636.db2.gz ZSMHPYVTHVDKNE-KBPBESRZSA-N 2 2 302.249 2.500 10 0 DEAELP C[NH2+][C@H](Cc1ccc(Cl)cc1Cl)[C@@H]1C[N@H+](C)CCN1C ZINC000093894728 193325023 /nfs/dbraw/zinc/32/50/23/193325023.db2.gz KLMNNUVZFXBCAA-CABCVRRESA-N 2 2 316.276 2.370 10 0 DEAELP C[NH2+][C@H](Cc1ccc(Cl)cc1Cl)[C@@H]1C[N@@H+](C)CCN1C ZINC000093894728 193325025 /nfs/dbraw/zinc/32/50/25/193325025.db2.gz KLMNNUVZFXBCAA-CABCVRRESA-N 2 2 316.276 2.370 10 0 DEAELP CCC[NH2+][C@H](Cc1cccc(Cl)c1)[C@H]1C[N@H+](C)CCN1C ZINC000093895950 193325837 /nfs/dbraw/zinc/32/58/37/193325837.db2.gz QCMUFFBXXROKTG-IAGOWNOFSA-N 2 2 309.885 2.497 10 0 DEAELP CCC[NH2+][C@H](Cc1cccc(Cl)c1)[C@H]1C[N@@H+](C)CCN1C ZINC000093895950 193325838 /nfs/dbraw/zinc/32/58/38/193325838.db2.gz QCMUFFBXXROKTG-IAGOWNOFSA-N 2 2 309.885 2.497 10 0 DEAELP Cc1cccc(N2CC[NH+]([C@@]3(C[NH3+])CS[C@@H](C)C3)CC2)c1 ZINC000094473258 193372976 /nfs/dbraw/zinc/37/29/76/193372976.db2.gz HYCXEYWJXSVGIA-RDJZCZTQSA-N 2 2 305.491 2.340 10 0 DEAELP [NH3+]CCc1cn(CCOc2cccc(Br)c2)c[nH+]1 ZINC000094529561 193376754 /nfs/dbraw/zinc/37/67/54/193376754.db2.gz SXQWGCXLVTVSFI-UHFFFAOYSA-N 2 2 310.195 2.226 10 0 DEAELP COCCC[N@H+](CCOC)[C@H](C[NH3+])c1cc(C)sc1C ZINC000042420834 183267706 /nfs/dbraw/zinc/26/77/06/183267706.db2.gz BPHDXFPXHOWFDJ-OAHLLOKOSA-N 2 2 300.468 2.350 10 0 DEAELP COCCC[N@@H+](CCOC)[C@H](C[NH3+])c1cc(C)sc1C ZINC000042420834 183267708 /nfs/dbraw/zinc/26/77/08/183267708.db2.gz BPHDXFPXHOWFDJ-OAHLLOKOSA-N 2 2 300.468 2.350 10 0 DEAELP COCCC[N@H+](CCOC)[C@H](C[NH3+])c1ccc(Cl)cc1 ZINC000042421001 183268058 /nfs/dbraw/zinc/26/80/58/183268058.db2.gz AUOGKWAMCOZNSG-OAHLLOKOSA-N 2 2 300.830 2.325 10 0 DEAELP COCCC[N@@H+](CCOC)[C@H](C[NH3+])c1ccc(Cl)cc1 ZINC000042421001 183268060 /nfs/dbraw/zinc/26/80/60/183268060.db2.gz AUOGKWAMCOZNSG-OAHLLOKOSA-N 2 2 300.830 2.325 10 0 DEAELP CC[N@H+](CCOC)[C@H](C[NH3+])c1ccc(Br)cc1 ZINC000042492617 183276155 /nfs/dbraw/zinc/27/61/55/183276155.db2.gz WUGZUNRPLWJHDG-CYBMUJFWSA-N 2 2 301.228 2.417 10 0 DEAELP CC[N@@H+](CCOC)[C@H](C[NH3+])c1ccc(Br)cc1 ZINC000042492617 183276156 /nfs/dbraw/zinc/27/61/56/183276156.db2.gz WUGZUNRPLWJHDG-CYBMUJFWSA-N 2 2 301.228 2.417 10 0 DEAELP CC[C@H]([NH3+])[C@@H](c1sccc1C)[N@@H+]1CCCN(C(C)=O)CC1 ZINC000043248982 183346368 /nfs/dbraw/zinc/34/63/68/183346368.db2.gz FBBPWCASFJCEBX-GJZGRUSLSA-N 2 2 309.479 2.389 10 0 DEAELP CC[C@H]([NH3+])[C@@H](c1sccc1C)[N@H+]1CCCN(C(C)=O)CC1 ZINC000043248982 183346371 /nfs/dbraw/zinc/34/63/71/183346371.db2.gz FBBPWCASFJCEBX-GJZGRUSLSA-N 2 2 309.479 2.389 10 0 DEAELP CC(C)[N@H+](CCO)[C@H](C[NH3+])c1cc(Br)cs1 ZINC000043287365 183351630 /nfs/dbraw/zinc/35/16/30/183351630.db2.gz PMEYMNWFYROONM-SNVBAGLBSA-N 2 2 307.257 2.213 10 0 DEAELP CC(C)[N@@H+](CCO)[C@H](C[NH3+])c1cc(Br)cs1 ZINC000043287365 183351633 /nfs/dbraw/zinc/35/16/33/183351633.db2.gz PMEYMNWFYROONM-SNVBAGLBSA-N 2 2 307.257 2.213 10 0 DEAELP C[N@H+](CC1CCOCC1)[C@@H](C[NH3+])c1ccc(Br)o1 ZINC000111159503 194397837 /nfs/dbraw/zinc/39/78/37/194397837.db2.gz CSORCRYAXLSHPF-NSHDSACASA-N 2 2 317.227 2.400 10 0 DEAELP C[N@@H+](CC1CCOCC1)[C@@H](C[NH3+])c1ccc(Br)o1 ZINC000111159503 194397839 /nfs/dbraw/zinc/39/78/39/194397839.db2.gz CSORCRYAXLSHPF-NSHDSACASA-N 2 2 317.227 2.400 10 0 DEAELP [NH3+]CC[C@H](c1ccccc1)[NH+]1CCN(CC(F)(F)F)CC1 ZINC000061940944 184197175 /nfs/dbraw/zinc/19/71/75/184197175.db2.gz QPSKVIGYQXRYER-CQSZACIVSA-N 2 2 301.356 2.256 10 0 DEAELP CCC[NH2+]Cc1nc(C[N@H+](C)CC2CC[NH+](C)CC2)cs1 ZINC000063124091 184271610 /nfs/dbraw/zinc/27/16/10/184271610.db2.gz MXFZEBFEDVBBAH-UHFFFAOYSA-N 3 2 310.511 2.416 10 0 DEAELP CCC[NH2+]Cc1nc(C[N@@H+](C)CC2CC[NH+](C)CC2)cs1 ZINC000063124091 184271611 /nfs/dbraw/zinc/27/16/11/184271611.db2.gz MXFZEBFEDVBBAH-UHFFFAOYSA-N 3 2 310.511 2.416 10 0 DEAELP [NH3+][C@H]1C[C@H]([NH+]2CCN(c3nccs3)CC2)c2ccccc21 ZINC000157502861 197191810 /nfs/dbraw/zinc/19/18/10/197191810.db2.gz UJKFWYULYACIRV-GJZGRUSLSA-N 2 2 300.431 2.410 10 0 DEAELP c1ccc(CC[N@@H+]2CC[C@H]([NH2+][C@@H]3C[C@H]4OCCC[C@H]34)C2)cc1 ZINC000190344543 145041118 /nfs/dbraw/zinc/04/11/18/145041118.db2.gz QVEWSYOUMFHEBI-WJFTUGDTSA-N 2 2 300.446 2.461 10 0 DEAELP c1ccc(CC[N@H+]2CC[C@H]([NH2+][C@@H]3C[C@H]4OCCC[C@H]34)C2)cc1 ZINC000190344543 145041120 /nfs/dbraw/zinc/04/11/20/145041120.db2.gz QVEWSYOUMFHEBI-WJFTUGDTSA-N 2 2 300.446 2.461 10 0 DEAELP COc1ncccc1C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000193456626 145086337 /nfs/dbraw/zinc/08/63/37/145086337.db2.gz FSYSGHDQMMAQKF-AWEZNQCLSA-N 2 2 300.406 2.278 10 0 DEAELP COc1ncccc1C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000193456626 145086338 /nfs/dbraw/zinc/08/63/38/145086338.db2.gz FSYSGHDQMMAQKF-AWEZNQCLSA-N 2 2 300.406 2.278 10 0 DEAELP C[C@H](NC(=O)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)c1ccccc1Cl ZINC000193657101 145088789 /nfs/dbraw/zinc/08/87/89/145088789.db2.gz DTHIBEITQNGPHD-MELADBBJSA-N 2 2 321.852 2.011 10 0 DEAELP C[C@H](NC(=O)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)c1ccccc1Cl ZINC000193657101 145088790 /nfs/dbraw/zinc/08/87/90/145088790.db2.gz DTHIBEITQNGPHD-MELADBBJSA-N 2 2 321.852 2.011 10 0 DEAELP C[C@H](NC(=O)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1)c1ccccc1Cl ZINC000193657101 145088791 /nfs/dbraw/zinc/08/87/91/145088791.db2.gz DTHIBEITQNGPHD-MELADBBJSA-N 2 2 321.852 2.011 10 0 DEAELP C[C@H](NC(=O)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1)c1ccccc1Cl ZINC000193657101 145088792 /nfs/dbraw/zinc/08/87/92/145088792.db2.gz DTHIBEITQNGPHD-MELADBBJSA-N 2 2 321.852 2.011 10 0 DEAELP Cc1ccc(CNC(=O)C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1F ZINC000246923907 145119911 /nfs/dbraw/zinc/11/99/11/145119911.db2.gz QCPLTVQILHFEHP-HOCLYGCPSA-N 2 2 321.440 2.165 10 0 DEAELP Cc1ccc(CNC(=O)C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1F ZINC000246923907 145119912 /nfs/dbraw/zinc/11/99/12/145119912.db2.gz QCPLTVQILHFEHP-HOCLYGCPSA-N 2 2 321.440 2.165 10 0 DEAELP Cc1ccc(CNC(=O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1F ZINC000246923907 145119913 /nfs/dbraw/zinc/11/99/13/145119913.db2.gz QCPLTVQILHFEHP-HOCLYGCPSA-N 2 2 321.440 2.165 10 0 DEAELP Cc1ccc(CNC(=O)C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1F ZINC000246923907 145119914 /nfs/dbraw/zinc/11/99/14/145119914.db2.gz QCPLTVQILHFEHP-HOCLYGCPSA-N 2 2 321.440 2.165 10 0 DEAELP CC(C)([NH3+])C[N@H+](CCO)Cc1cc(Br)cs1 ZINC000261636722 145212486 /nfs/dbraw/zinc/21/24/86/145212486.db2.gz DAEOZVOTGQFHCE-UHFFFAOYSA-N 2 2 307.257 2.042 10 0 DEAELP CC(C)([NH3+])C[N@@H+](CCO)Cc1cc(Br)cs1 ZINC000261636722 145212488 /nfs/dbraw/zinc/21/24/88/145212488.db2.gz DAEOZVOTGQFHCE-UHFFFAOYSA-N 2 2 307.257 2.042 10 0 DEAELP c1[nH+]c([C@H]2CCC[N@@H+](CC3CC[NH2+]CC3)C2)n2c1CCCC2 ZINC000261701653 145218451 /nfs/dbraw/zinc/21/84/51/145218451.db2.gz IAYJKWOMBOXDDT-INIZCTEOSA-N 3 2 302.466 2.398 10 0 DEAELP c1[nH+]c([C@H]2CCC[N@H+](CC3CC[NH2+]CC3)C2)n2c1CCCC2 ZINC000261701653 145218452 /nfs/dbraw/zinc/21/84/52/145218452.db2.gz IAYJKWOMBOXDDT-INIZCTEOSA-N 3 2 302.466 2.398 10 0 DEAELP [NH3+][C@@H]1CCC[C@H]1CC(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000261735447 145221495 /nfs/dbraw/zinc/22/14/95/145221495.db2.gz LIYWKZKQBNGSFY-GXFFZTMASA-N 2 2 306.797 2.121 10 0 DEAELP C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261883667 145237057 /nfs/dbraw/zinc/23/70/57/145237057.db2.gz UVSNKKZSXANXLS-WOSRLPQWSA-N 2 2 321.440 2.451 10 0 DEAELP C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261883667 145237060 /nfs/dbraw/zinc/23/70/60/145237060.db2.gz UVSNKKZSXANXLS-WOSRLPQWSA-N 2 2 321.440 2.451 10 0 DEAELP CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000261880222 145237391 /nfs/dbraw/zinc/23/73/91/145237391.db2.gz SZUYHMYZKJBIJM-BIGNPOOSSA-N 2 2 313.804 2.078 10 0 DEAELP CC[N@H+]1CC[C@H](NC(=O)[C@@H](C)[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000261880222 145237392 /nfs/dbraw/zinc/23/73/92/145237392.db2.gz SZUYHMYZKJBIJM-BIGNPOOSSA-N 2 2 313.804 2.078 10 0 DEAELP C[C@@H](NC(=O)[C@H]1CC[NH2+][C@@H](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000262317923 145276047 /nfs/dbraw/zinc/27/60/47/145276047.db2.gz BVZMATCFHPYXTC-LZWOXQAQSA-N 2 2 312.417 2.438 10 0 DEAELP C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)[C@@H](C)C[NH3+])CC1 ZINC000262325580 145276314 /nfs/dbraw/zinc/27/63/14/145276314.db2.gz FYEHXLCRVVRZOV-QWHCGFSZSA-N 2 2 309.841 2.140 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N(C)CC[N@H+](C)C1CC1)C2 ZINC000372385187 148201647 /nfs/dbraw/zinc/20/16/47/148201647.db2.gz GXKYHHIYLYWPSV-ZDUSSCGKSA-N 2 2 318.465 2.191 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N(C)CC[N@@H+](C)C1CC1)C2 ZINC000372385187 148201649 /nfs/dbraw/zinc/20/16/49/148201649.db2.gz GXKYHHIYLYWPSV-ZDUSSCGKSA-N 2 2 318.465 2.191 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N(C)CC[N@H+](C)C1CC1)CC2 ZINC000372385187 148201651 /nfs/dbraw/zinc/20/16/51/148201651.db2.gz GXKYHHIYLYWPSV-ZDUSSCGKSA-N 2 2 318.465 2.191 10 0 DEAELP CCCc1occc1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000374232847 148220844 /nfs/dbraw/zinc/22/08/44/148220844.db2.gz VFBKPTIBDVQJGB-AWEZNQCLSA-N 2 2 319.449 2.130 10 0 DEAELP CCCc1occc1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000374232847 148220845 /nfs/dbraw/zinc/22/08/45/148220845.db2.gz VFBKPTIBDVQJGB-AWEZNQCLSA-N 2 2 319.449 2.130 10 0 DEAELP C[C@@H]1C[N@@H+](C2CC[NH+](Cc3ccccc3N(C)C)CC2)CCO1 ZINC000078048196 401838666 /nfs/dbraw/zinc/83/86/66/401838666.db2.gz PTINTTOQFMBBTQ-MRXNPFEDSA-N 2 2 317.477 2.438 10 0 DEAELP C[C@@H]1C[N@H+](C2CC[NH+](Cc3ccccc3N(C)C)CC2)CCO1 ZINC000078048196 401838669 /nfs/dbraw/zinc/83/86/69/401838669.db2.gz PTINTTOQFMBBTQ-MRXNPFEDSA-N 2 2 317.477 2.438 10 0 DEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@H]2CCCC[C@@H]2C)[C@H](C)C1 ZINC000081096844 401893816 /nfs/dbraw/zinc/89/38/16/401893816.db2.gz CCVCVURDHCBAGA-HZMVEIRTSA-N 2 2 309.498 2.343 10 0 DEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@H]2CCCC[C@@H]2C)[C@H](C)C1 ZINC000081096844 401893817 /nfs/dbraw/zinc/89/38/17/401893817.db2.gz CCVCVURDHCBAGA-HZMVEIRTSA-N 2 2 309.498 2.343 10 0 DEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@@H]2CCCC[C@@H]2C)[C@H](C)C1 ZINC000081096844 401893819 /nfs/dbraw/zinc/89/38/19/401893819.db2.gz CCVCVURDHCBAGA-HZMVEIRTSA-N 2 2 309.498 2.343 10 0 DEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@@H]2CCCC[C@@H]2C)[C@H](C)C1 ZINC000081096844 401893821 /nfs/dbraw/zinc/89/38/21/401893821.db2.gz CCVCVURDHCBAGA-HZMVEIRTSA-N 2 2 309.498 2.343 10 0 DEAELP CC(C)Cc1ncc(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)s1 ZINC000093665549 402018834 /nfs/dbraw/zinc/01/88/34/402018834.db2.gz QAECTSHGZAQCCA-OAHLLOKOSA-N 2 2 323.506 2.496 10 0 DEAELP CC(C)Cc1ncc(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)s1 ZINC000093665549 402018835 /nfs/dbraw/zinc/01/88/35/402018835.db2.gz QAECTSHGZAQCCA-OAHLLOKOSA-N 2 2 323.506 2.496 10 0 DEAELP C[C@@H](NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)C(C)(C)C[NH+](C)C ZINC000121205651 402020330 /nfs/dbraw/zinc/02/03/30/402020330.db2.gz FFHNDXLQHZIJHX-HUUCEWRRSA-N 2 2 321.469 2.033 10 0 DEAELP [NH3+]CC[NH+]1CCC2(CCN(C(=O)OCc3ccccc3)C2)CC1 ZINC000095077596 402024319 /nfs/dbraw/zinc/02/43/19/402024319.db2.gz OBRAAJRQSOFUBR-UHFFFAOYSA-N 2 2 317.433 2.070 10 0 DEAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+](C)C[C@@H]3CCCO3)c2cc1C ZINC000052103364 402038869 /nfs/dbraw/zinc/03/88/69/402038869.db2.gz LBVVVBIGAGAEFM-HOTGVXAUSA-N 2 2 317.433 2.125 10 0 DEAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+](C)C[C@@H]3CCCO3)c2cc1C ZINC000052103364 402038875 /nfs/dbraw/zinc/03/88/75/402038875.db2.gz LBVVVBIGAGAEFM-HOTGVXAUSA-N 2 2 317.433 2.125 10 0 DEAELP C[C@@H]1C[C@@H]([NH+](C)Cc2cccc(C(=O)N(C)C)c2)CC[N@@H+]1C ZINC000123116784 402111213 /nfs/dbraw/zinc/11/12/13/402111213.db2.gz XEOXULBCLNANRT-PBHICJAKSA-N 2 2 303.450 2.303 10 0 DEAELP C[C@@H]1C[C@@H]([NH+](C)Cc2cccc(C(=O)N(C)C)c2)CC[N@H+]1C ZINC000123116784 402111214 /nfs/dbraw/zinc/11/12/14/402111214.db2.gz XEOXULBCLNANRT-PBHICJAKSA-N 2 2 303.450 2.303 10 0 DEAELP C[C@@H]1C[C@@H]([N@H+](C)Cc2cccc(C(=O)N(C)C)c2)CC[NH+]1C ZINC000123116784 402111215 /nfs/dbraw/zinc/11/12/15/402111215.db2.gz XEOXULBCLNANRT-PBHICJAKSA-N 2 2 303.450 2.303 10 0 DEAELP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc(C(=O)N(C)C)c2)CC[NH+]1C ZINC000123116784 402111216 /nfs/dbraw/zinc/11/12/16/402111216.db2.gz XEOXULBCLNANRT-PBHICJAKSA-N 2 2 303.450 2.303 10 0 DEAELP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000154514273 402216601 /nfs/dbraw/zinc/21/66/01/402216601.db2.gz RNLGBNGQHOEGNA-WBVHZDCISA-N 3 2 305.466 2.372 10 0 DEAELP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000154514273 402216604 /nfs/dbraw/zinc/21/66/04/402216604.db2.gz RNLGBNGQHOEGNA-WBVHZDCISA-N 3 2 305.466 2.372 10 0 DEAELP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1cccc(OCC[NH+](C)C)c1 ZINC000154550905 402218311 /nfs/dbraw/zinc/21/83/11/402218311.db2.gz HRWVURMGUAARAB-RDJZCZTQSA-N 3 2 305.466 2.372 10 0 DEAELP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1cccc(OCC[NH+](C)C)c1 ZINC000154550905 402218313 /nfs/dbraw/zinc/21/83/13/402218313.db2.gz HRWVURMGUAARAB-RDJZCZTQSA-N 3 2 305.466 2.372 10 0 DEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2cccc(F)c2)[C@@H](C)C1 ZINC000245422389 402458689 /nfs/dbraw/zinc/45/86/89/402458689.db2.gz IRPPYUQMFCEVRR-BBRMVZONSA-N 2 2 307.413 2.426 10 0 DEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2cccc(F)c2)[C@@H](C)C1 ZINC000245422389 402458691 /nfs/dbraw/zinc/45/86/91/402458691.db2.gz IRPPYUQMFCEVRR-BBRMVZONSA-N 2 2 307.413 2.426 10 0 DEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2cccc(F)c2)[C@@H](C)C1 ZINC000245422389 402458692 /nfs/dbraw/zinc/45/86/92/402458692.db2.gz IRPPYUQMFCEVRR-BBRMVZONSA-N 2 2 307.413 2.426 10 0 DEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2cccc(F)c2)[C@@H](C)C1 ZINC000245422389 402458693 /nfs/dbraw/zinc/45/86/93/402458693.db2.gz IRPPYUQMFCEVRR-BBRMVZONSA-N 2 2 307.413 2.426 10 0 DEAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N(C)c2ccccc2)[C@@H](C)C1 ZINC000245426296 402459181 /nfs/dbraw/zinc/45/91/81/402459181.db2.gz LFADHMHNYADZQF-DOTOQJQBSA-N 2 2 303.450 2.312 10 0 DEAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N(C)c2ccccc2)[C@@H](C)C1 ZINC000245426296 402459183 /nfs/dbraw/zinc/45/91/83/402459183.db2.gz LFADHMHNYADZQF-DOTOQJQBSA-N 2 2 303.450 2.312 10 0 DEAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N(C)c2ccccc2)[C@@H](C)C1 ZINC000245426296 402459185 /nfs/dbraw/zinc/45/91/85/402459185.db2.gz LFADHMHNYADZQF-DOTOQJQBSA-N 2 2 303.450 2.312 10 0 DEAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N(C)c2ccccc2)[C@@H](C)C1 ZINC000245426296 402459188 /nfs/dbraw/zinc/45/91/88/402459188.db2.gz LFADHMHNYADZQF-DOTOQJQBSA-N 2 2 303.450 2.312 10 0 DEAELP COC[C@@H]([NH2+]CC[N@H+](C)Cc1ccccc1)C1CCOCC1 ZINC000187817999 402512068 /nfs/dbraw/zinc/51/20/68/402512068.db2.gz RGZPRFOLJKDYSQ-GOSISDBHSA-N 2 2 306.450 2.150 10 0 DEAELP COC[C@@H]([NH2+]CC[N@@H+](C)Cc1ccccc1)C1CCOCC1 ZINC000187817999 402512072 /nfs/dbraw/zinc/51/20/72/402512072.db2.gz RGZPRFOLJKDYSQ-GOSISDBHSA-N 2 2 306.450 2.150 10 0 DEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1nnc(-c2ccco2)o1 ZINC000178309189 402483514 /nfs/dbraw/zinc/48/35/14/402483514.db2.gz KZKOKHYHRHJHNP-ZDUSSCGKSA-N 2 2 313.361 2.499 10 0 DEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1nnc(-c2ccco2)o1 ZINC000178309189 402483517 /nfs/dbraw/zinc/48/35/17/402483517.db2.gz KZKOKHYHRHJHNP-ZDUSSCGKSA-N 2 2 313.361 2.499 10 0 DEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@H](C)C(=O)Nc1nccs1 ZINC000245952357 402500034 /nfs/dbraw/zinc/50/00/34/402500034.db2.gz PNYOZPBOEDZGAN-DGCLKSJQSA-N 2 2 319.434 2.140 10 0 DEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@H](C)C(=O)Nc1nccs1 ZINC000245952357 402500035 /nfs/dbraw/zinc/50/00/35/402500035.db2.gz PNYOZPBOEDZGAN-DGCLKSJQSA-N 2 2 319.434 2.140 10 0 DEAELP CC1CC[NH+](C[C@H]2CCC[N@H+](C[C@@H](O)C(F)(F)F)C2)CC1 ZINC000248389900 402589107 /nfs/dbraw/zinc/58/91/07/402589107.db2.gz HKDIKSXIBZMUBN-ZIAGYGMSSA-N 2 2 308.388 2.354 10 0 DEAELP CC1CC[NH+](C[C@H]2CCC[N@@H+](C[C@@H](O)C(F)(F)F)C2)CC1 ZINC000248389900 402589109 /nfs/dbraw/zinc/58/91/09/402589109.db2.gz HKDIKSXIBZMUBN-ZIAGYGMSSA-N 2 2 308.388 2.354 10 0 DEAELP CC(C)[C@H](C)CNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000172383935 402653463 /nfs/dbraw/zinc/65/34/63/402653463.db2.gz ZWQVYHBNWCMGQJ-OAHLLOKOSA-N 2 2 324.513 2.136 10 0 DEAELP COc1cc[nH+]c(N2CC[NH+](C[C@H](O)C3CCCCC3)CC2)c1 ZINC000191333304 402661446 /nfs/dbraw/zinc/66/14/46/402661446.db2.gz JIHOMFHRPMIQHP-KRWDZBQOSA-N 2 2 319.449 2.153 10 0 DEAELP C/C(=C\C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)C1CC1 ZINC000172751360 402673329 /nfs/dbraw/zinc/67/33/29/402673329.db2.gz UDBZLYWRHNQJFZ-JQIJEIRASA-N 2 2 319.493 2.409 10 0 DEAELP C[NH+]1CCC(CNC(=O)C2CCCC2)([NH+]2CCCCC2)CC1 ZINC000172751986 402673396 /nfs/dbraw/zinc/67/33/96/402673396.db2.gz MLWGJSQFCZUMPY-UHFFFAOYSA-N 2 2 307.482 2.243 10 0 DEAELP CCC(C)(C)NC(=O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000195515798 402848814 /nfs/dbraw/zinc/84/88/14/402848814.db2.gz RODDCXKEUCIWGN-AWEZNQCLSA-N 2 2 304.438 2.120 10 0 DEAELP CCC(C)(C)NC(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000195515798 402848816 /nfs/dbraw/zinc/84/88/16/402848816.db2.gz RODDCXKEUCIWGN-AWEZNQCLSA-N 2 2 304.438 2.120 10 0 DEAELP CCN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515908 402848905 /nfs/dbraw/zinc/84/89/05/402848905.db2.gz SIVTTZCUNSJKGQ-LSDHHAIUSA-N 2 2 304.438 2.072 10 0 DEAELP CCN(CC)C(=O)[C@H](C)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515908 402848907 /nfs/dbraw/zinc/84/89/07/402848907.db2.gz SIVTTZCUNSJKGQ-LSDHHAIUSA-N 2 2 304.438 2.072 10 0 DEAELP Cn1c[nH+]cc1[C@H]1C[C@H]([NH2+]Cc2cnn3ccccc23)CCO1 ZINC000275715353 403117904 /nfs/dbraw/zinc/11/79/04/403117904.db2.gz YQLBOJRWIOCOCZ-RHSMWYFYSA-N 2 2 311.389 2.078 10 0 DEAELP CC1(C)COC[C@H]1[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000313154369 403976512 /nfs/dbraw/zinc/97/65/12/403976512.db2.gz WTYPGCFKLHMSPK-ZWKOTPCHSA-N 2 2 318.461 2.292 10 0 DEAELP CC1(C)COC[C@H]1[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000313154369 403976523 /nfs/dbraw/zinc/97/65/23/403976523.db2.gz WTYPGCFKLHMSPK-ZWKOTPCHSA-N 2 2 318.461 2.292 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@@H](C)[N@H+](C)C1CC1)C2 ZINC000369638033 404175516 /nfs/dbraw/zinc/17/55/16/404175516.db2.gz KTHPMEFNJWTZNK-CHWSQXEVSA-N 2 2 318.465 2.237 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)C1CC1)C2 ZINC000369638033 404175520 /nfs/dbraw/zinc/17/55/20/404175520.db2.gz KTHPMEFNJWTZNK-CHWSQXEVSA-N 2 2 318.465 2.237 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@@H](C)[N@H+](C)C1CC1)CC2 ZINC000369638033 404175522 /nfs/dbraw/zinc/17/55/22/404175522.db2.gz KTHPMEFNJWTZNK-CHWSQXEVSA-N 2 2 318.465 2.237 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@@H](C)[N@@H+](C)C1CC1)CC2 ZINC000369638033 404175527 /nfs/dbraw/zinc/17/55/27/404175527.db2.gz KTHPMEFNJWTZNK-CHWSQXEVSA-N 2 2 318.465 2.237 10 0 DEAELP CC1CC[NH+](Cc2nc([C@@H]3C[N@@H+]4CCC[C@]4(C)CO3)no2)CC1 ZINC000329633812 404402930 /nfs/dbraw/zinc/40/29/30/404402930.db2.gz XIGGRYXUWGCVDL-WMLDXEAASA-N 2 2 320.437 2.227 10 0 DEAELP CC1CC[NH+](Cc2nc([C@@H]3C[N@H+]4CCC[C@]4(C)CO3)no2)CC1 ZINC000329633812 404402936 /nfs/dbraw/zinc/40/29/36/404402936.db2.gz XIGGRYXUWGCVDL-WMLDXEAASA-N 2 2 320.437 2.227 10 0 DEAELP Cc1nc([C@H](C)[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)no1 ZINC000330251722 404601715 /nfs/dbraw/zinc/60/17/15/404601715.db2.gz NRIGRMXAVJHSJA-IHRRRGAJSA-N 2 2 322.453 2.260 10 0 DEAELP COC1(C[NH+]2CCN(c3cc[nH+]c(C)n3)CC2)CCCCC1 ZINC000361593454 405153035 /nfs/dbraw/zinc/15/30/35/405153035.db2.gz ICCBQZRLROLXHT-UHFFFAOYSA-N 2 2 304.438 2.256 10 0 DEAELP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000570502119 406402285 /nfs/dbraw/zinc/40/22/85/406402285.db2.gz SZBNTAUCNYMYMQ-SFHVURJKSA-N 2 2 324.428 2.174 10 0 DEAELP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000570502119 406402292 /nfs/dbraw/zinc/40/22/92/406402292.db2.gz SZBNTAUCNYMYMQ-SFHVURJKSA-N 2 2 324.428 2.174 10 0 DEAELP Cc1[nH+]c2ccccc2n1CCC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000547473834 406414275 /nfs/dbraw/zinc/41/42/75/406414275.db2.gz QQLCFZZNUKSZHB-HNNXBMFYSA-N 2 2 314.433 2.193 10 0 DEAELP Cc1[nH+]c2ccccc2n1CCC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000547473834 406414278 /nfs/dbraw/zinc/41/42/78/406414278.db2.gz QQLCFZZNUKSZHB-HNNXBMFYSA-N 2 2 314.433 2.193 10 0 DEAELP CC(C)C[NH2+]C[C@@H](C)[C@H](C)[NH+]1CCN(CC(F)(F)F)CC1 ZINC000128964101 196008407 /nfs/dbraw/zinc/00/84/07/196008407.db2.gz GQYWKYCLNSKRPS-KGLIPLIRSA-N 2 2 309.420 2.437 10 0 DEAELP CN(C)c1nc(NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc[nH+]1 ZINC000354341512 425062867 /nfs/dbraw/zinc/06/28/67/425062867.db2.gz VXHASVRIEXNYSD-INIZCTEOSA-N 2 2 311.433 2.619 10 0 DEAELP CN(C)c1nc(NC[C@@H]2CCC[N@H+]2Cc2ccccc2)cc[nH+]1 ZINC000354341512 425062871 /nfs/dbraw/zinc/06/28/71/425062871.db2.gz VXHASVRIEXNYSD-INIZCTEOSA-N 2 2 311.433 2.619 10 0 DEAELP CC(C)(C)OC(=O)NCC[NH+]1CCC(c2cc[nH+]c(N)c2)CC1 ZINC000616620341 425098266 /nfs/dbraw/zinc/09/82/66/425098266.db2.gz WLQYFPJABBPWID-UHFFFAOYSA-N 2 2 320.437 2.368 10 0 DEAELP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH2+][C@@H]3CCC[NH2+]CC3)C2)cc1 ZINC000390619064 269098245 /nfs/dbraw/zinc/09/82/45/269098245.db2.gz YZNGCNAMQAKGEA-MOPGFXCFSA-N 3 2 317.477 2.009 10 0 DEAELP c1ccc(C[N@H+]2CCCO[C@@H](C[NH2+][C@@H]3CCC[NH2+]CC3)C2)cc1 ZINC000390619064 269098247 /nfs/dbraw/zinc/09/82/47/269098247.db2.gz YZNGCNAMQAKGEA-MOPGFXCFSA-N 3 2 317.477 2.009 10 0 DEAELP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000398047017 269108108 /nfs/dbraw/zinc/10/81/08/269108108.db2.gz WDVTYVKTVFONIN-NEPXVJNWSA-N 3 2 301.478 2.485 10 0 DEAELP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000398047017 269108109 /nfs/dbraw/zinc/10/81/09/269108109.db2.gz WDVTYVKTVFONIN-NEPXVJNWSA-N 3 2 301.478 2.485 10 0 DEAELP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCc3[nH+]c[nH]c32)[C@H](C)C1 ZINC000370477427 276223732 /nfs/dbraw/zinc/22/37/32/276223732.db2.gz OKYMNRPZUHYNHW-IPYPFGDCSA-N 2 2 304.438 2.018 10 0 DEAELP CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCc3[nH+]c[nH]c32)[C@H](C)C1 ZINC000370477427 276223733 /nfs/dbraw/zinc/22/37/33/276223733.db2.gz OKYMNRPZUHYNHW-IPYPFGDCSA-N 2 2 304.438 2.018 10 0 DEAELP C[C@@H]1CCC[C@](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)([NH+](C)C)C1 ZINC000262036109 278525248 /nfs/dbraw/zinc/52/52/48/278525248.db2.gz XZIYLHPUWQFALW-QQXKLLMISA-N 3 2 323.525 2.244 10 0 DEAELP Cc1[nH+]c2cc(CNC(=O)C[NH2+]CC3CC3)ccc2n1C1CC1 ZINC000573117790 326025804 /nfs/dbraw/zinc/02/58/04/326025804.db2.gz LZCKHGPTTUAQGH-UHFFFAOYSA-N 2 2 312.417 2.295 10 0 DEAELP NC(=O)[C@@H](c1ccccc1)[N@@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000299740782 534420016 /nfs/dbraw/zinc/42/00/16/534420016.db2.gz BSDBPGZMNFATQQ-MAUKXSAKSA-N 2 2 324.428 2.235 10 0 DEAELP NC(=O)[C@@H](c1ccccc1)[N@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000299740782 534420023 /nfs/dbraw/zinc/42/00/23/534420023.db2.gz BSDBPGZMNFATQQ-MAUKXSAKSA-N 2 2 324.428 2.235 10 0 DEAELP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCn3cc[nH+]c32)C1 ZINC000246351048 535078137 /nfs/dbraw/zinc/07/81/37/535078137.db2.gz FPUHZZYHFJAJHQ-HOTGVXAUSA-N 2 2 318.465 2.245 10 0 DEAELP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCn3cc[nH+]c32)C1 ZINC000246351048 535078142 /nfs/dbraw/zinc/07/81/42/535078142.db2.gz FPUHZZYHFJAJHQ-HOTGVXAUSA-N 2 2 318.465 2.245 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCC1=CC[N@H+](C)CC1)C2 ZINC000372466573 535382393 /nfs/dbraw/zinc/38/23/93/535382393.db2.gz PZXUTXJCFSSZCA-CQSZACIVSA-N 2 2 316.449 2.016 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCC1=CC[N@@H+](C)CC1)C2 ZINC000372466573 535382394 /nfs/dbraw/zinc/38/23/94/535382394.db2.gz PZXUTXJCFSSZCA-CQSZACIVSA-N 2 2 316.449 2.016 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCC1=CC[N@H+](C)CC1)CC2 ZINC000372466573 535382396 /nfs/dbraw/zinc/38/23/96/535382396.db2.gz PZXUTXJCFSSZCA-CQSZACIVSA-N 2 2 316.449 2.016 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCC1=CC[N@@H+](C)CC1)CC2 ZINC000372466573 535382397 /nfs/dbraw/zinc/38/23/97/535382397.db2.gz PZXUTXJCFSSZCA-CQSZACIVSA-N 2 2 316.449 2.016 10 0 DEAELP CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249805992 536162879 /nfs/dbraw/zinc/16/28/79/536162879.db2.gz BFPAPIHJEYMPMR-KKUMJFAQSA-N 2 2 304.438 2.119 10 0 DEAELP CC[C@H](C)NC(=O)[C@H](C)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249805992 536162884 /nfs/dbraw/zinc/16/28/84/536162884.db2.gz BFPAPIHJEYMPMR-KKUMJFAQSA-N 2 2 304.438 2.119 10 0 DEAELP NC(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000299740784 563938580 /nfs/dbraw/zinc/93/85/80/563938580.db2.gz BSDBPGZMNFATQQ-QAPCUYQASA-N 2 2 324.428 2.235 10 0 DEAELP NC(=O)[C@H](c1ccccc1)[N@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000299740784 563938581 /nfs/dbraw/zinc/93/85/81/563938581.db2.gz BSDBPGZMNFATQQ-QAPCUYQASA-N 2 2 324.428 2.235 10 0 DEAELP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ncccc3Br)C[C@H]21 ZINC000386678444 685419139 /nfs/dbraw/zinc/41/91/39/685419139.db2.gz XWSQCCLGSBIGTI-NQBHXWOUSA-N 2 2 310.239 2.403 10 0 DEAELP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ncccc3Br)C[C@H]21 ZINC000386678444 685419142 /nfs/dbraw/zinc/41/91/42/685419142.db2.gz XWSQCCLGSBIGTI-NQBHXWOUSA-N 2 2 310.239 2.403 10 0 DEAELP CC(C)[C@H](C(=O)OCC[NH+]1CCSCC1)[NH+]1CCCCC1 ZINC000120496069 684096878 /nfs/dbraw/zinc/09/68/78/684096878.db2.gz ICAVOEWPYJNTEF-OAHLLOKOSA-N 2 2 314.495 2.089 10 0 DEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CN1C(=O)SC(C)(C)C1=O ZINC000132761672 684212932 /nfs/dbraw/zinc/21/29/32/684212932.db2.gz NQWCCDKPVNMZHH-GFCCVEGCSA-N 2 2 322.434 2.087 10 0 DEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CN1C(=O)SC(C)(C)C1=O ZINC000132761672 684212934 /nfs/dbraw/zinc/21/29/34/684212934.db2.gz NQWCCDKPVNMZHH-GFCCVEGCSA-N 2 2 322.434 2.087 10 0 DEAELP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)CN(C(=O)OC(C)(C)C)C1 ZINC000401702651 801842951 /nfs/dbraw/zinc/84/29/51/801842951.db2.gz AWGQNZIVWPYTQR-ILXRZTDVSA-N 2 2 311.470 2.316 10 0 DEAELP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+]2C)CN(C(=O)OC(C)(C)C)C1 ZINC000401702651 801842959 /nfs/dbraw/zinc/84/29/59/801842959.db2.gz AWGQNZIVWPYTQR-ILXRZTDVSA-N 2 2 311.470 2.316 10 0 DEAELP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(C(F)(F)F)s1 ZINC000717981591 1081854721 /nfs/dbraw/zinc/85/47/21/1081854721.db2.gz GBGAPEYOSLTWSM-CABZTGNLSA-N 2 2 308.369 2.484 10 0 DEAELP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(C(F)(F)F)s1 ZINC000717981591 1081854725 /nfs/dbraw/zinc/85/47/25/1081854725.db2.gz GBGAPEYOSLTWSM-CABZTGNLSA-N 2 2 308.369 2.484 10 0 DEAELP C[NH+](C)C1(C[NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)CCC1 ZINC000711437769 1087105227 /nfs/dbraw/zinc/10/52/27/1087105227.db2.gz IFCNIIUFQQILKS-OKILXGFUSA-N 2 2 311.470 2.364 10 0 DEAELP CC[C@@H](CC[NH3+])[NH+]1CCN(c2nc(C(C)(C)C)ns2)CC1 ZINC000087639621 185229781 /nfs/dbraw/zinc/22/97/81/185229781.db2.gz UCYDVEWZCBWQTA-LBPRGKRZSA-N 2 2 311.499 2.085 10 0 DEAELP COc1ccc(Br)c(C[NH2+]C[C@@H]2CC[N@H+](C)C2)c1 ZINC000087787578 185231732 /nfs/dbraw/zinc/23/17/32/185231732.db2.gz UKEGOPQLLKKYTK-NSHDSACASA-N 2 2 313.239 2.499 10 0 DEAELP COc1ccc(Br)c(C[NH2+]C[C@@H]2CC[N@@H+](C)C2)c1 ZINC000087787578 185231733 /nfs/dbraw/zinc/23/17/33/185231733.db2.gz UKEGOPQLLKKYTK-NSHDSACASA-N 2 2 313.239 2.499 10 0 DEAELP [NH3+]C[C@]1([NH2+]Cc2cccs2)CCN(Cc2ccccc2)C1 ZINC000087910212 185237430 /nfs/dbraw/zinc/23/74/30/185237430.db2.gz YMGAIXPFBVMMDP-QGZVFWFLSA-N 2 2 301.459 2.441 10 0 DEAELP [NH3+]C[C@]1(NCc2cccs2)CC[N@H+](Cc2ccccc2)C1 ZINC000087910212 185237431 /nfs/dbraw/zinc/23/74/31/185237431.db2.gz YMGAIXPFBVMMDP-QGZVFWFLSA-N 2 2 301.459 2.441 10 0 DEAELP [NH3+]C[C@]1(NCc2cccs2)CC[N@@H+](Cc2ccccc2)C1 ZINC000087910212 185237432 /nfs/dbraw/zinc/23/74/32/185237432.db2.gz YMGAIXPFBVMMDP-QGZVFWFLSA-N 2 2 301.459 2.441 10 0 DEAELP C[NH2+][C@@](C)(CCC[N@@H+]1CCC[C@H](C(F)(F)F)C1)C(=O)OC ZINC000088435228 185249952 /nfs/dbraw/zinc/24/99/52/185249952.db2.gz DBYSJMHAZLFTPH-AAEUAGOBSA-N 2 2 310.360 2.192 10 0 DEAELP C[NH2+][C@@](C)(CCC[N@H+]1CCC[C@H](C(F)(F)F)C1)C(=O)OC ZINC000088435228 185249953 /nfs/dbraw/zinc/24/99/53/185249953.db2.gz DBYSJMHAZLFTPH-AAEUAGOBSA-N 2 2 310.360 2.192 10 0 DEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000245926466 282217134 /nfs/dbraw/zinc/21/71/34/282217134.db2.gz HWVJLMVCJZWEHJ-HZPDHXFCSA-N 2 2 316.380 2.022 10 0 DEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000245926466 282217135 /nfs/dbraw/zinc/21/71/35/282217135.db2.gz HWVJLMVCJZWEHJ-HZPDHXFCSA-N 2 2 316.380 2.022 10 0 DEAELP CN(Cc1cccc(Br)c1)[C@@H](C[NH3+])c1c[nH+]cn1C ZINC000090167505 185284709 /nfs/dbraw/zinc/28/47/09/185284709.db2.gz CXOVHQFLZUCRKG-ZDUSSCGKSA-N 2 2 323.238 2.314 10 0 DEAELP C=Cn1cc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)cn1 ZINC000194783557 282365385 /nfs/dbraw/zinc/36/53/85/282365385.db2.gz NRJDBBVXRNFFCJ-KRWDZBQOSA-N 2 2 311.433 2.333 10 0 DEAELP C=Cn1cc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)cn1 ZINC000194783557 282365390 /nfs/dbraw/zinc/36/53/90/282365390.db2.gz NRJDBBVXRNFFCJ-KRWDZBQOSA-N 2 2 311.433 2.333 10 0 DEAELP C=Cn1cc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)cn1 ZINC000194783557 282365392 /nfs/dbraw/zinc/36/53/92/282365392.db2.gz NRJDBBVXRNFFCJ-KRWDZBQOSA-N 2 2 311.433 2.333 10 0 DEAELP C=Cn1cc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)cn1 ZINC000194783557 282365395 /nfs/dbraw/zinc/36/53/95/282365395.db2.gz NRJDBBVXRNFFCJ-KRWDZBQOSA-N 2 2 311.433 2.333 10 0 DEAELP CCc1nnc(C[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)[nH]1 ZINC000181713022 199342433 /nfs/dbraw/zinc/34/24/33/199342433.db2.gz UTULSFXUANQNTR-ZDUSSCGKSA-N 2 2 300.410 2.005 10 0 DEAELP CCc1nnc(C[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)[nH]1 ZINC000181713022 199342436 /nfs/dbraw/zinc/34/24/36/199342436.db2.gz UTULSFXUANQNTR-ZDUSSCGKSA-N 2 2 300.410 2.005 10 0 DEAELP CC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000181987708 199371484 /nfs/dbraw/zinc/37/14/84/199371484.db2.gz QVFLABPYUKXXRH-KDOFPFPSSA-N 2 2 319.449 2.142 10 0 DEAELP CCc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCC[C@@H]3[NH3+])CC2)s1 ZINC000167350611 539611361 /nfs/dbraw/zinc/61/13/61/539611361.db2.gz UFIHGGXHAZNHFO-CVEARBPZSA-N 2 2 321.490 2.082 10 0 DEAELP CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@H](c2ccc[nH+]c2N)C1 ZINC000616622043 362899504 /nfs/dbraw/zinc/89/95/04/362899504.db2.gz ZLJVHQPNYULEJB-ZDUSSCGKSA-N 2 2 320.437 2.368 10 0 DEAELP CC(C)(C)OC(=O)NCC[N@H+]1CCC[C@H](c2ccc[nH+]c2N)C1 ZINC000616622043 362899510 /nfs/dbraw/zinc/89/95/10/362899510.db2.gz ZLJVHQPNYULEJB-ZDUSSCGKSA-N 2 2 320.437 2.368 10 0 DEAELP [NH3+]C[C@H]([NH2+]C[C@@H]1CCCO1)c1ccc(Br)s1 ZINC000083774172 192383153 /nfs/dbraw/zinc/38/31/53/192383153.db2.gz KMQFJYVDTSCPCA-IUCAKERBSA-N 2 2 305.241 2.279 10 0 DEAELP CC[C@H]([NH3+])[C@H](c1ccc(C)s1)[N@@H+]1CC[C@H](NC(=O)OC)C1 ZINC000133634696 186001828 /nfs/dbraw/zinc/00/18/28/186001828.db2.gz PUINNKDGSSLNKY-SGMGOOAPSA-N 2 2 311.451 2.265 10 0 DEAELP CC[C@H]([NH3+])[C@H](c1ccc(C)s1)[N@H+]1CC[C@H](NC(=O)OC)C1 ZINC000133634696 186001829 /nfs/dbraw/zinc/00/18/29/186001829.db2.gz PUINNKDGSSLNKY-SGMGOOAPSA-N 2 2 311.451 2.265 10 0 DEAELP Nc1cc(Br)cc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000148010439 186042783 /nfs/dbraw/zinc/04/27/83/186042783.db2.gz LHJWGTSRVZYCQI-CYBMUJFWSA-N 2 2 310.239 2.358 10 0 DEAELP Nc1cc(Br)cc(C[NH2+][C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000148010439 186042784 /nfs/dbraw/zinc/04/27/84/186042784.db2.gz LHJWGTSRVZYCQI-CYBMUJFWSA-N 2 2 310.239 2.358 10 0 DEAELP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000333838474 282979121 /nfs/dbraw/zinc/97/91/21/282979121.db2.gz NUALBAZMDVRBML-HUUCEWRRSA-N 2 2 319.453 2.282 10 0 DEAELP c1nc(-c2noc([C@@H]3CCC[N@@H+]3C3CC[NH2+]CC3)n2)cs1 ZINC000150244664 186056062 /nfs/dbraw/zinc/05/60/62/186056062.db2.gz AKOYRAHPGXHPDC-LBPRGKRZSA-N 2 2 305.407 2.082 10 0 DEAELP c1nc(-c2noc([C@@H]3CCC[N@H+]3C3CC[NH2+]CC3)n2)cs1 ZINC000150244664 186056064 /nfs/dbraw/zinc/05/60/64/186056064.db2.gz AKOYRAHPGXHPDC-LBPRGKRZSA-N 2 2 305.407 2.082 10 0 DEAELP CC[C@H]([NH3+])[C@H](c1cccc(Cl)c1)[N@H+](CCO)CCOC ZINC000164223016 186152506 /nfs/dbraw/zinc/15/25/06/186152506.db2.gz OTFKTWJKSOCZBE-GJZGRUSLSA-N 2 2 300.830 2.059 10 0 DEAELP CC[C@H]([NH3+])[C@H](c1cccc(Cl)c1)[N@@H+](CCO)CCOC ZINC000164223016 186152507 /nfs/dbraw/zinc/15/25/07/186152507.db2.gz OTFKTWJKSOCZBE-GJZGRUSLSA-N 2 2 300.830 2.059 10 0 DEAELP O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cccc(-n2cc[nH+]c2)c1 ZINC000332886444 539943187 /nfs/dbraw/zinc/94/31/87/539943187.db2.gz JTFHRYUDOSEPNO-IRXDYDNUSA-N 2 2 310.401 2.229 10 0 DEAELP O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1cccc(-n2cc[nH+]c2)c1 ZINC000332886444 539943192 /nfs/dbraw/zinc/94/31/92/539943192.db2.gz JTFHRYUDOSEPNO-IRXDYDNUSA-N 2 2 310.401 2.229 10 0 DEAELP C[C@@H]([NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1)C(C)(C)C ZINC000121525622 355797235 /nfs/dbraw/zinc/79/72/35/355797235.db2.gz JUSCRFHGKKNVOL-CQSZACIVSA-N 2 2 323.506 2.417 10 0 DEAELP CC(C)OC[C@H](O)C[NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000386733736 356697873 /nfs/dbraw/zinc/69/78/73/356697873.db2.gz WBUNGDLZFHDFHV-GOSISDBHSA-N 2 2 320.477 2.417 10 0 DEAELP CC(C)OC[C@H](O)C[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000386733736 356697876 /nfs/dbraw/zinc/69/78/76/356697876.db2.gz WBUNGDLZFHDFHV-GOSISDBHSA-N 2 2 320.477 2.417 10 0 DEAELP CC(C)[NH+]1CCC(NC(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000606580216 361021810 /nfs/dbraw/zinc/02/18/10/361021810.db2.gz FIZUQLHRUCNQCT-UHFFFAOYSA-N 2 2 301.394 2.329 10 0 DEAELP O=C(Nc1ccc2[nH+]ccn2c1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000606583598 361023464 /nfs/dbraw/zinc/02/34/64/361023464.db2.gz HTTAXKPZKLZDIL-LBPRGKRZSA-N 2 2 310.361 2.469 10 0 DEAELP C1=CC[NH+]([C@@H]2CCN(c3nc4ccccc4n4c[nH+]cc34)C2)C1 ZINC000623997455 365248175 /nfs/dbraw/zinc/24/81/75/365248175.db2.gz NBNOWUYOKNWVAV-CQSZACIVSA-N 2 2 305.385 2.333 10 0 DEAELP CCC[NH2+][C@H](CCCS(C)(=O)=O)C(C)(C)[NH+](CC)CC ZINC000091532272 193069701 /nfs/dbraw/zinc/06/97/01/193069701.db2.gz ZTPJVXPCKQXDBM-CQSZACIVSA-N 2 2 306.516 2.300 10 0 DEAELP CC[NH2+][C@@H](CCCS(C)(=O)=O)C1([NH+](C)C)CCCCC1 ZINC000091647910 193084609 /nfs/dbraw/zinc/08/46/09/193084609.db2.gz XQZPYWQLMSFGPU-AWEZNQCLSA-N 2 2 304.500 2.054 10 0 DEAELP C[C@H]1C[N@H+](CC(=O)Nc2ccc(Cl)c(Cl)c2)C[C@@H]1C[NH3+] ZINC000631845068 368420149 /nfs/dbraw/zinc/42/01/49/368420149.db2.gz SDHDBBHFGVGDDR-UWVGGRQHSA-N 2 2 316.232 2.459 10 0 DEAELP C[C@H]1C[N@@H+](CC(=O)Nc2ccc(Cl)c(Cl)c2)C[C@@H]1C[NH3+] ZINC000631845068 368420151 /nfs/dbraw/zinc/42/01/51/368420151.db2.gz SDHDBBHFGVGDDR-UWVGGRQHSA-N 2 2 316.232 2.459 10 0 DEAELP C[NH2+][C@H](Cc1c(Cl)cccc1Cl)[C@H]1C[N@H+](C)CCN1C ZINC000093894846 193324507 /nfs/dbraw/zinc/32/45/07/193324507.db2.gz QOKTVIFXVJWRFI-HUUCEWRRSA-N 2 2 316.276 2.370 10 0 DEAELP C[NH2+][C@H](Cc1c(Cl)cccc1Cl)[C@H]1C[N@@H+](C)CCN1C ZINC000093894846 193324509 /nfs/dbraw/zinc/32/45/09/193324509.db2.gz QOKTVIFXVJWRFI-HUUCEWRRSA-N 2 2 316.276 2.370 10 0 DEAELP CCC[NH2+][C@H](Cc1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCN1C ZINC000093895944 193324854 /nfs/dbraw/zinc/32/48/54/193324854.db2.gz OCHSIGYCSFPDIM-SJORKVTESA-N 2 2 309.885 2.497 10 0 DEAELP CCC[NH2+][C@H](Cc1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCN1C ZINC000093895944 193324856 /nfs/dbraw/zinc/32/48/56/193324856.db2.gz OCHSIGYCSFPDIM-SJORKVTESA-N 2 2 309.885 2.497 10 0 DEAELP CC[NH2+][C@H](Cc1c(F)cccc1Cl)[C@@H]1C[N@H+](C)CCN1C ZINC000093895496 193325578 /nfs/dbraw/zinc/32/55/78/193325578.db2.gz MZOSCTHQNVASSY-CVEARBPZSA-N 2 2 313.848 2.246 10 0 DEAELP CC[NH2+][C@H](Cc1c(F)cccc1Cl)[C@@H]1C[N@@H+](C)CCN1C ZINC000093895496 193325579 /nfs/dbraw/zinc/32/55/79/193325579.db2.gz MZOSCTHQNVASSY-CVEARBPZSA-N 2 2 313.848 2.246 10 0 DEAELP C[NH2+][C@@H]1[C@H](C[NH+]2CCN(CC(F)(F)F)CC2)CCC1(C)C ZINC000094318374 193359729 /nfs/dbraw/zinc/35/97/29/193359729.db2.gz HNLFPIVIBNSSGG-QWHCGFSZSA-N 2 2 307.404 2.191 10 0 DEAELP COc1ccc(Br)cc1Cn1c[nH+]c(CC[NH3+])c1 ZINC000094529611 193376789 /nfs/dbraw/zinc/37/67/89/193376789.db2.gz RNBGRGOLGWGWHB-UHFFFAOYSA-N 2 2 310.195 2.204 10 0 DEAELP CC[C@@H]([NH3+])[C@H](c1cccc(Cl)c1)[NH+]1CCC(C(N)=O)CC1 ZINC000042975094 183325368 /nfs/dbraw/zinc/32/53/68/183325368.db2.gz ICVHTOFLJJWAOJ-CABCVRRESA-N 2 2 309.841 2.316 10 0 DEAELP C[C@@H]([NH3+])[C@H](c1cccc(Br)c1)[N@H+](CCO)C1CC1 ZINC000043021729 183329357 /nfs/dbraw/zinc/32/93/57/183329357.db2.gz WUYLHAGOIDCMBY-QMTHXVAHSA-N 2 2 313.239 2.294 10 0 DEAELP C[C@@H]([NH3+])[C@H](c1cccc(Br)c1)[N@@H+](CCO)C1CC1 ZINC000043021729 183329358 /nfs/dbraw/zinc/32/93/58/183329358.db2.gz WUYLHAGOIDCMBY-QMTHXVAHSA-N 2 2 313.239 2.294 10 0 DEAELP C[NH2+]CC1(C[NH+]2CCN(CC(F)(F)F)CC2)CCCCC1 ZINC000061947576 184197732 /nfs/dbraw/zinc/19/77/32/184197732.db2.gz LBPWOMCIQRERMT-UHFFFAOYSA-N 2 2 307.404 2.336 10 0 DEAELP C[C@@H](C(=O)N1CC[NH2+]CC1)[N@H+](C)[C@@H](C)c1ccccc1Cl ZINC000062014441 184201353 /nfs/dbraw/zinc/20/13/53/184201353.db2.gz STCHARNUQBVWCB-STQMWFEESA-N 2 2 309.841 2.153 10 0 DEAELP C[C@@H](C(=O)N1CC[NH2+]CC1)[N@@H+](C)[C@@H](C)c1ccccc1Cl ZINC000062014441 184201355 /nfs/dbraw/zinc/20/13/55/184201355.db2.gz STCHARNUQBVWCB-STQMWFEESA-N 2 2 309.841 2.153 10 0 DEAELP Cn1cc[nH+]c1CC[NH2+]Cc1ccc(O)c(Br)c1 ZINC000062702754 184247927 /nfs/dbraw/zinc/24/79/27/184247927.db2.gz GPXAUUBUOYHTCF-UHFFFAOYSA-N 2 2 310.195 2.221 10 0 DEAELP Cc1[nH]c(C[N@@H+]2CC[C@@]3(CCC[C@H]3C(=O)N3CCCC3)C2)c[nH+]1 ZINC000248014015 257112327 /nfs/dbraw/zinc/11/23/27/257112327.db2.gz GXJHQNWHKRKBQD-WMZOPIPTSA-N 2 2 316.449 2.333 10 0 DEAELP Cc1[nH]c(C[N@H+]2CC[C@@]3(CCC[C@H]3C(=O)N3CCCC3)C2)c[nH+]1 ZINC000248014015 257112328 /nfs/dbraw/zinc/11/23/28/257112328.db2.gz GXJHQNWHKRKBQD-WMZOPIPTSA-N 2 2 316.449 2.333 10 0 DEAELP Cc1cc(C[NH2+]CC[N@H+]2CC=C(C)CC2)ccc1-n1cncn1 ZINC000358165410 133125693 /nfs/dbraw/zinc/12/56/93/133125693.db2.gz LIJPCDPSLWFYLN-UHFFFAOYSA-N 2 2 311.433 2.317 10 0 DEAELP Cc1cc(C[NH2+]CC[N@@H+]2CC=C(C)CC2)ccc1-n1cncn1 ZINC000358165410 133125694 /nfs/dbraw/zinc/12/56/94/133125694.db2.gz LIJPCDPSLWFYLN-UHFFFAOYSA-N 2 2 311.433 2.317 10 0 DEAELP COC(=O)[C@@H](C1CC1)[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000359604809 133134079 /nfs/dbraw/zinc/13/40/79/133134079.db2.gz FFLHZFQDSLVXIB-NVXWUHKLSA-N 2 2 308.466 2.382 10 0 DEAELP COC(=O)[C@@H](C1CC1)[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000359604809 133134080 /nfs/dbraw/zinc/13/40/80/133134080.db2.gz FFLHZFQDSLVXIB-NVXWUHKLSA-N 2 2 308.466 2.382 10 0 DEAELP COc1c(C)c[nH+]c(CN(C)C(=O)CC2CC[NH+](C)CC2)c1C ZINC000362665176 133244354 /nfs/dbraw/zinc/24/43/54/133244354.db2.gz NZHSWJUHGOXGBT-UHFFFAOYSA-N 2 2 319.449 2.397 10 0 DEAELP CC[NH+](CC)CCC[NH+]1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000191840602 145065653 /nfs/dbraw/zinc/06/56/53/145065653.db2.gz QOLGNNBBKPZXKQ-UHFFFAOYSA-N 2 2 305.470 2.141 10 0 DEAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000192192456 145071995 /nfs/dbraw/zinc/07/19/95/145071995.db2.gz YBSATFNAHOAPGB-GOSISDBHSA-N 2 2 313.401 2.172 10 0 DEAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000192192456 145071997 /nfs/dbraw/zinc/07/19/97/145071997.db2.gz YBSATFNAHOAPGB-GOSISDBHSA-N 2 2 313.401 2.172 10 0 DEAELP C[N@H+]1C[C@@H]2C[NH+](Cc3nn(-c4ccccc4)c4c3CCC4)C[C@@H]2C1 ZINC000193616575 145088371 /nfs/dbraw/zinc/08/83/71/145088371.db2.gz ILVLQVVGVNNJKA-IYBDPMFKSA-N 2 2 322.456 2.354 10 0 DEAELP C[N@@H+]1C[C@@H]2C[NH+](Cc3nn(-c4ccccc4)c4c3CCC4)C[C@@H]2C1 ZINC000193616575 145088372 /nfs/dbraw/zinc/08/83/72/145088372.db2.gz ILVLQVVGVNNJKA-IYBDPMFKSA-N 2 2 322.456 2.354 10 0 DEAELP C[NH+]1C[C@@H]2C[N@@H+](Cc3nn(-c4ccccc4)c4c3CCC4)C[C@@H]2C1 ZINC000193616575 145088373 /nfs/dbraw/zinc/08/83/73/145088373.db2.gz ILVLQVVGVNNJKA-IYBDPMFKSA-N 2 2 322.456 2.354 10 0 DEAELP C[NH+]1C[C@@H]2C[N@H+](Cc3nn(-c4ccccc4)c4c3CCC4)C[C@@H]2C1 ZINC000193616575 145088374 /nfs/dbraw/zinc/08/83/74/145088374.db2.gz ILVLQVVGVNNJKA-IYBDPMFKSA-N 2 2 322.456 2.354 10 0 DEAELP C[C@H]1CC[N@H+](CC(=O)N2CCc3ccccc32)C[C@H]1n1cc[nH+]c1 ZINC000247005624 145123053 /nfs/dbraw/zinc/12/30/53/145123053.db2.gz DBYCUDDOCUDOGZ-MAUKXSAKSA-N 2 2 324.428 2.355 10 0 DEAELP C[C@H]1CC[N@@H+](CC(=O)N2CCc3ccccc32)C[C@H]1n1cc[nH+]c1 ZINC000247005624 145123055 /nfs/dbraw/zinc/12/30/55/145123055.db2.gz DBYCUDDOCUDOGZ-MAUKXSAKSA-N 2 2 324.428 2.355 10 0 DEAELP C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)[C@H]1CCOC1 ZINC000247942450 145145541 /nfs/dbraw/zinc/14/55/41/145145541.db2.gz DCPVNGSCYHXZBI-CBZIJGRNSA-N 2 2 303.450 2.307 10 0 DEAELP C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)[C@H]1CCOC1 ZINC000247942450 145145542 /nfs/dbraw/zinc/14/55/42/145145542.db2.gz DCPVNGSCYHXZBI-CBZIJGRNSA-N 2 2 303.450 2.307 10 0 DEAELP C[C@H]1CC[N@H+](Cc2cn(C(C)(C)C)nn2)C[C@H]1n1cc[nH+]c1 ZINC000248802997 145167845 /nfs/dbraw/zinc/16/78/45/145167845.db2.gz AOTOLWCZGNNNPD-DZGCQCFKSA-N 2 2 302.426 2.313 10 0 DEAELP C[C@H]1CC[N@@H+](Cc2cn(C(C)(C)C)nn2)C[C@H]1n1cc[nH+]c1 ZINC000248802997 145167846 /nfs/dbraw/zinc/16/78/46/145167846.db2.gz AOTOLWCZGNNNPD-DZGCQCFKSA-N 2 2 302.426 2.313 10 0 DEAELP C[C@@H](C(=O)N(C)Cc1ccccc1)[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261612612 145210382 /nfs/dbraw/zinc/21/03/82/145210382.db2.gz CIGDZHVUPPFWRH-GOEBONIOSA-N 2 2 303.450 2.093 10 0 DEAELP C[C@@H](C(=O)N(C)Cc1ccccc1)[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261612612 145210385 /nfs/dbraw/zinc/21/03/85/145210385.db2.gz CIGDZHVUPPFWRH-GOEBONIOSA-N 2 2 303.450 2.093 10 0 DEAELP CCCc1ccc([C@H](C)[N@@H+](CC(N)=O)C[C@H]2CCC[NH2+]C2)cc1 ZINC000261797783 145227337 /nfs/dbraw/zinc/22/73/37/145227337.db2.gz GSGJGFRWHNQAGD-RDJZCZTQSA-N 2 2 317.477 2.487 10 0 DEAELP CCCc1ccc([C@H](C)[N@H+](CC(N)=O)C[C@H]2CCC[NH2+]C2)cc1 ZINC000261797783 145227338 /nfs/dbraw/zinc/22/73/38/145227338.db2.gz GSGJGFRWHNQAGD-RDJZCZTQSA-N 2 2 317.477 2.487 10 0 DEAELP COc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261815843 145229840 /nfs/dbraw/zinc/22/98/40/145229840.db2.gz PCBVHLAIQUBYDI-DOMZBBRYSA-N 2 2 305.422 2.081 10 0 DEAELP COc1ccccc1NC(=O)[C@@H](C)[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261815843 145229841 /nfs/dbraw/zinc/22/98/41/145229841.db2.gz PCBVHLAIQUBYDI-DOMZBBRYSA-N 2 2 305.422 2.081 10 0 DEAELP C[C@@H]1CCC[C@@H](NC(=O)C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1C ZINC000261859933 145234837 /nfs/dbraw/zinc/23/48/37/145234837.db2.gz FPPWTLOOLQMPMP-OVEUURCMSA-N 2 2 307.482 2.142 10 0 DEAELP C[C@@H]1CCC[C@@H](NC(=O)C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1C ZINC000261859933 145234839 /nfs/dbraw/zinc/23/48/39/145234839.db2.gz FPPWTLOOLQMPMP-OVEUURCMSA-N 2 2 307.482 2.142 10 0 DEAELP Cc1ccccc1CNC(=O)[C@@H](C)[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261872756 145236140 /nfs/dbraw/zinc/23/61/40/145236140.db2.gz TVBGQKRLOKKGTH-ZBFHGGJFSA-N 2 2 303.450 2.059 10 0 DEAELP Cc1ccccc1CNC(=O)[C@@H](C)[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261872756 145236142 /nfs/dbraw/zinc/23/61/42/145236142.db2.gz TVBGQKRLOKKGTH-ZBFHGGJFSA-N 2 2 303.450 2.059 10 0 DEAELP C[C@H]([NH3+])CC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000261900075 145239068 /nfs/dbraw/zinc/23/90/68/145239068.db2.gz YTWSJJUQZMHAPY-RJIBLYRGSA-N 2 2 313.804 2.078 10 0 DEAELP C[C@H]([NH3+])CC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000261900075 145239071 /nfs/dbraw/zinc/23/90/71/145239071.db2.gz YTWSJJUQZMHAPY-RJIBLYRGSA-N 2 2 313.804 2.078 10 0 DEAELP CC1(C)C[N@H+](CC(=O)NCCc2ccc(Cl)cc2)CC[C@@H]1[NH3+] ZINC000261910021 145239873 /nfs/dbraw/zinc/23/98/73/145239873.db2.gz XLSOMRGXMXOQGC-HNNXBMFYSA-N 2 2 323.868 2.058 10 0 DEAELP CC1(C)C[N@@H+](CC(=O)NCCc2ccc(Cl)cc2)CC[C@@H]1[NH3+] ZINC000261910021 145239874 /nfs/dbraw/zinc/23/98/74/145239874.db2.gz XLSOMRGXMXOQGC-HNNXBMFYSA-N 2 2 323.868 2.058 10 0 DEAELP C[C@@H](c1nc(-c2cccnc2)no1)[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261928204 145243643 /nfs/dbraw/zinc/24/36/43/145243643.db2.gz ZNMPTLLGGGFDBZ-AAEUAGOBSA-N 2 2 301.394 2.252 10 0 DEAELP C[C@@H](c1nc(-c2cccnc2)no1)[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261928204 145243645 /nfs/dbraw/zinc/24/36/45/145243645.db2.gz ZNMPTLLGGGFDBZ-AAEUAGOBSA-N 2 2 301.394 2.252 10 0 DEAELP CCOc1ccccc1N1CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000262053658 145257501 /nfs/dbraw/zinc/25/75/01/145257501.db2.gz QLGBRPJWOIBBTP-GOSISDBHSA-N 2 2 303.450 2.207 10 0 DEAELP CC(C)c1ccc(NC(=O)C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000262429687 145283393 /nfs/dbraw/zinc/28/33/93/145283393.db2.gz FSJKYDGTSOCKPH-CVEARBPZSA-N 2 2 301.434 2.290 10 0 DEAELP CC(C)c1ccc(NC(=O)C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000262429687 145283395 /nfs/dbraw/zinc/28/33/95/145283395.db2.gz FSJKYDGTSOCKPH-CVEARBPZSA-N 2 2 301.434 2.290 10 0 DEAELP C[C@@H]1CCCN(c2cc(N3CC[N@@H+]4CCCC[C@@H]4C3)nc[nH+]2)C1 ZINC000112077128 401730037 /nfs/dbraw/zinc/73/00/37/401730037.db2.gz YUEHQACCCJODGN-HZPDHXFCSA-N 2 2 315.465 2.387 10 0 DEAELP C[C@@H]1CCCN(c2cc(N3CC[N@H+]4CCCC[C@@H]4C3)nc[nH+]2)C1 ZINC000112077128 401730039 /nfs/dbraw/zinc/73/00/39/401730039.db2.gz YUEHQACCCJODGN-HZPDHXFCSA-N 2 2 315.465 2.387 10 0 DEAELP C[NH+]1CCC([NH+]2CCC(Nc3ccnc(C4CC4)n3)CC2)CC1 ZINC000110392697 401689670 /nfs/dbraw/zinc/68/96/70/401689670.db2.gz DWFSESYAGHIZBZ-UHFFFAOYSA-N 2 2 315.465 2.325 10 0 DEAELP CCCCOC(=O)[C@H](C)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000119236614 401935270 /nfs/dbraw/zinc/93/52/70/401935270.db2.gz PZGXTKQBPGQVAS-AWEZNQCLSA-N 2 2 307.438 2.406 10 0 DEAELP Cc1ncccc1C[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000121233377 402022191 /nfs/dbraw/zinc/02/21/91/402022191.db2.gz OAYRGJSKGLJLGH-UHFFFAOYSA-N 2 2 313.449 2.183 10 0 DEAELP Cc1ncccc1C[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000121233377 402022192 /nfs/dbraw/zinc/02/21/92/402022192.db2.gz OAYRGJSKGLJLGH-UHFFFAOYSA-N 2 2 313.449 2.183 10 0 DEAELP O[C@H](C[NH2+][C@H]1CSCCc2ccccc21)C[NH+]1CCCCC1 ZINC000151324186 402029673 /nfs/dbraw/zinc/02/96/73/402029673.db2.gz UFSQYTIXDUSHPL-AEFFLSMTSA-N 2 2 320.502 2.453 10 0 DEAELP C[C@H]1C[C@H]([NH+](C)CC(=O)NCCC2CCCCC2)CC[N@@H+]1C ZINC000123114023 402111494 /nfs/dbraw/zinc/11/14/94/402111494.db2.gz YEPYTIQMUNNQKD-DOTOQJQBSA-N 2 2 309.498 2.488 10 0 DEAELP C[C@H]1C[C@H]([NH+](C)CC(=O)NCCC2CCCCC2)CC[N@H+]1C ZINC000123114023 402111495 /nfs/dbraw/zinc/11/14/95/402111495.db2.gz YEPYTIQMUNNQKD-DOTOQJQBSA-N 2 2 309.498 2.488 10 0 DEAELP C[C@H]1C[C@H]([N@H+](C)CC(=O)NCCC2CCCCC2)CC[NH+]1C ZINC000123114023 402111497 /nfs/dbraw/zinc/11/14/97/402111497.db2.gz YEPYTIQMUNNQKD-DOTOQJQBSA-N 2 2 309.498 2.488 10 0 DEAELP C[C@H]1C[C@H]([N@@H+](C)CC(=O)NCCC2CCCCC2)CC[NH+]1C ZINC000123114023 402111501 /nfs/dbraw/zinc/11/15/01/402111501.db2.gz YEPYTIQMUNNQKD-DOTOQJQBSA-N 2 2 309.498 2.488 10 0 DEAELP CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@H](C)C[NH+]2CCOCC2)c1 ZINC000153097687 402126450 /nfs/dbraw/zinc/12/64/50/402126450.db2.gz AEBZWLKBNQMDJV-GJZGRUSLSA-N 2 2 319.449 2.264 10 0 DEAELP C[C@H]1C[C@H]([NH+](C)CC(=O)NCc2cccc(Cl)c2)CC[N@@H+]1C ZINC000123969619 402156992 /nfs/dbraw/zinc/15/69/92/402156992.db2.gz XICZGEKMXVHDAB-XJKSGUPXSA-N 2 2 323.868 2.371 10 0 DEAELP C[C@H]1C[C@H]([NH+](C)CC(=O)NCc2cccc(Cl)c2)CC[N@H+]1C ZINC000123969619 402156994 /nfs/dbraw/zinc/15/69/94/402156994.db2.gz XICZGEKMXVHDAB-XJKSGUPXSA-N 2 2 323.868 2.371 10 0 DEAELP C[C@H]1C[C@H]([N@H+](C)CC(=O)NCc2cccc(Cl)c2)CC[NH+]1C ZINC000123969619 402156995 /nfs/dbraw/zinc/15/69/95/402156995.db2.gz XICZGEKMXVHDAB-XJKSGUPXSA-N 2 2 323.868 2.371 10 0 DEAELP C[C@H]1C[C@H]([N@@H+](C)CC(=O)NCc2cccc(Cl)c2)CC[NH+]1C ZINC000123969619 402156997 /nfs/dbraw/zinc/15/69/97/402156997.db2.gz XICZGEKMXVHDAB-XJKSGUPXSA-N 2 2 323.868 2.371 10 0 DEAELP C[C@H]1C[C@@H]([NH+](C)CC(=O)Nc2ccc(F)c(F)c2)CC[N@@H+]1C ZINC000123941570 402155075 /nfs/dbraw/zinc/15/50/75/402155075.db2.gz BITYTFXOQZILDK-AAEUAGOBSA-N 2 2 311.376 2.318 10 0 DEAELP C[C@H]1C[C@@H]([NH+](C)CC(=O)Nc2ccc(F)c(F)c2)CC[N@H+]1C ZINC000123941570 402155079 /nfs/dbraw/zinc/15/50/79/402155079.db2.gz BITYTFXOQZILDK-AAEUAGOBSA-N 2 2 311.376 2.318 10 0 DEAELP C[C@H]1C[C@@H]([N@H+](C)CC(=O)Nc2ccc(F)c(F)c2)CC[NH+]1C ZINC000123941570 402155082 /nfs/dbraw/zinc/15/50/82/402155082.db2.gz BITYTFXOQZILDK-AAEUAGOBSA-N 2 2 311.376 2.318 10 0 DEAELP C[C@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2ccc(F)c(F)c2)CC[NH+]1C ZINC000123941570 402155085 /nfs/dbraw/zinc/15/50/85/402155085.db2.gz BITYTFXOQZILDK-AAEUAGOBSA-N 2 2 311.376 2.318 10 0 DEAELP CC(C)=C(F)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000154499165 402215018 /nfs/dbraw/zinc/21/50/18/402215018.db2.gz FUPXXNSOYDQQDW-YIONKMFJSA-N 2 2 309.429 2.019 10 0 DEAELP CC(C)=C(F)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000154499165 402215020 /nfs/dbraw/zinc/21/50/20/402215020.db2.gz FUPXXNSOYDQQDW-YIONKMFJSA-N 2 2 309.429 2.019 10 0 DEAELP CCCCCNC(=O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000105922802 402211625 /nfs/dbraw/zinc/21/16/25/402211625.db2.gz LKHOKCZIGWNZSO-OAHLLOKOSA-N 2 2 306.454 2.389 10 0 DEAELP CCCCCNC(=O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000105922802 402211628 /nfs/dbraw/zinc/21/16/28/402211628.db2.gz LKHOKCZIGWNZSO-OAHLLOKOSA-N 2 2 306.454 2.389 10 0 DEAELP C[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2C2CC2)([NH+]2CCCCC2)CC1 ZINC000177471926 402406780 /nfs/dbraw/zinc/40/67/80/402406780.db2.gz UPXSHSJTRWEVGO-DLBZAZTESA-N 2 2 319.493 2.099 10 0 DEAELP c1cn(CC[N@@H+]2CCCC[C@H]2c2nnc3n2CCCC3)c[nH+]1 ZINC000163456460 402450227 /nfs/dbraw/zinc/45/02/27/402450227.db2.gz VNZGRTQEHNSIMN-AWEZNQCLSA-N 2 2 300.410 2.038 10 0 DEAELP c1cn(CC[N@H+]2CCCC[C@H]2c2nnc3n2CCCC3)c[nH+]1 ZINC000163456460 402450230 /nfs/dbraw/zinc/45/02/30/402450230.db2.gz VNZGRTQEHNSIMN-AWEZNQCLSA-N 2 2 300.410 2.038 10 0 DEAELP CC(C)c1nnc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)n1C ZINC000179433426 402590324 /nfs/dbraw/zinc/59/03/24/402590324.db2.gz YJWHVUOTVUAFPW-AWEZNQCLSA-N 2 2 316.453 2.127 10 0 DEAELP CC(C)c1nnc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)n1C ZINC000179433426 402590326 /nfs/dbraw/zinc/59/03/26/402590326.db2.gz YJWHVUOTVUAFPW-AWEZNQCLSA-N 2 2 316.453 2.127 10 0 DEAELP Cn1cc[nH+]c1CC1CC[NH+](Cc2ncc(Cl)n2C)CC1 ZINC000171599579 402599613 /nfs/dbraw/zinc/59/96/13/402599613.db2.gz UWCJUPNYWJRFBI-UHFFFAOYSA-N 2 2 307.829 2.262 10 0 DEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCn2c(C)csc2=O)C1 ZINC000171613573 402601458 /nfs/dbraw/zinc/60/14/58/402601458.db2.gz WZZJNPNODZYXAM-AWEZNQCLSA-N 2 2 320.462 2.314 10 0 DEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCn2c(C)csc2=O)C1 ZINC000171613573 402601459 /nfs/dbraw/zinc/60/14/59/402601459.db2.gz WZZJNPNODZYXAM-AWEZNQCLSA-N 2 2 320.462 2.314 10 0 DEAELP CCC[NH+]1CCN(c2cc(N3CCC[C@@H](C)C3)[nH+]cn2)CC1 ZINC000171683267 402609371 /nfs/dbraw/zinc/60/93/71/402609371.db2.gz ZQOQPYNJIPXPNN-OAHLLOKOSA-N 2 2 303.454 2.245 10 0 DEAELP CC[NH+](CC)CCC[N@H+](C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000171931198 402633754 /nfs/dbraw/zinc/63/37/54/402633754.db2.gz ROAAMJODSFQEDZ-QGZVFWFLSA-N 2 2 303.450 2.456 10 0 DEAELP CC[NH+](CC)CCC[N@@H+](C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000171931198 402633757 /nfs/dbraw/zinc/63/37/57/402633757.db2.gz ROAAMJODSFQEDZ-QGZVFWFLSA-N 2 2 303.450 2.456 10 0 DEAELP CC(C)Cn1ncnc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000182658812 402706781 /nfs/dbraw/zinc/70/67/81/402706781.db2.gz ADNXRKRJTDPYFI-UHFFFAOYSA-N 2 2 305.470 2.242 10 0 DEAELP c1cn(CCC[N@@H+]2CCCC[C@@H]2c2nnc3n2CCCC3)c[nH+]1 ZINC000182744364 402713477 /nfs/dbraw/zinc/71/34/77/402713477.db2.gz KCVLMLWALZVVJO-OAHLLOKOSA-N 2 2 314.437 2.428 10 0 DEAELP c1cn(CCC[N@H+]2CCCC[C@@H]2c2nnc3n2CCCC3)c[nH+]1 ZINC000182744364 402713480 /nfs/dbraw/zinc/71/34/80/402713480.db2.gz KCVLMLWALZVVJO-OAHLLOKOSA-N 2 2 314.437 2.428 10 0 DEAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(NC(C)=O)cc1 ZINC000182054532 402665251 /nfs/dbraw/zinc/66/52/51/402665251.db2.gz OEDYXVKGBMTDMR-RDTXWAMCSA-N 2 2 319.449 2.406 10 0 DEAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(NC(C)=O)cc1 ZINC000182054532 402665255 /nfs/dbraw/zinc/66/52/55/402665255.db2.gz OEDYXVKGBMTDMR-RDTXWAMCSA-N 2 2 319.449 2.406 10 0 DEAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(NC(C)=O)cc1 ZINC000182054486 402665607 /nfs/dbraw/zinc/66/56/07/402665607.db2.gz OEDYXVKGBMTDMR-KDOFPFPSSA-N 2 2 319.449 2.406 10 0 DEAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(NC(C)=O)cc1 ZINC000182054486 402665609 /nfs/dbraw/zinc/66/56/09/402665609.db2.gz OEDYXVKGBMTDMR-KDOFPFPSSA-N 2 2 319.449 2.406 10 0 DEAELP CC1(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)OCCCO1 ZINC000192252694 402719401 /nfs/dbraw/zinc/71/94/01/402719401.db2.gz SXDNLMBWMZPGSV-UHFFFAOYSA-N 2 2 304.434 2.394 10 0 DEAELP C[C@@H]1C[C@H]([NH+](C)Cc2cc(=O)oc3cc(O)ccc23)CC[N@@H+]1C ZINC000182396898 402686884 /nfs/dbraw/zinc/68/68/84/402686884.db2.gz XLXWPRMSTACNLM-TZMCWYRMSA-N 2 2 316.401 2.413 10 0 DEAELP C[C@@H]1C[C@H]([NH+](C)Cc2cc(=O)oc3cc(O)ccc23)CC[N@H+]1C ZINC000182396898 402686885 /nfs/dbraw/zinc/68/68/85/402686885.db2.gz XLXWPRMSTACNLM-TZMCWYRMSA-N 2 2 316.401 2.413 10 0 DEAELP C[C@@H]1C[C@H]([N@H+](C)Cc2cc(=O)oc3cc(O)ccc23)CC[NH+]1C ZINC000182396898 402686886 /nfs/dbraw/zinc/68/68/86/402686886.db2.gz XLXWPRMSTACNLM-TZMCWYRMSA-N 2 2 316.401 2.413 10 0 DEAELP C[C@@H]1C[C@H]([N@@H+](C)Cc2cc(=O)oc3cc(O)ccc23)CC[NH+]1C ZINC000182396898 402686887 /nfs/dbraw/zinc/68/68/87/402686887.db2.gz XLXWPRMSTACNLM-TZMCWYRMSA-N 2 2 316.401 2.413 10 0 DEAELP C[C@H](NC(=O)NCCn1cc[nH+]c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000174012898 402723445 /nfs/dbraw/zinc/72/34/45/402723445.db2.gz QIUDDCFGEJTDPI-AWEZNQCLSA-N 2 2 324.388 2.129 10 0 DEAELP C[C@@H]1CCCC[N@@H+]1CCCCNc1nc2c(cnn2C)c(N)[nH+]1 ZINC000278417675 402865608 /nfs/dbraw/zinc/86/56/08/402865608.db2.gz OJOYLNMZWRVNMS-GFCCVEGCSA-N 2 2 317.441 2.012 10 0 DEAELP C[C@@H]1CCCC[N@H+]1CCCCNc1nc2c(cnn2C)c(N)[nH+]1 ZINC000278417675 402865610 /nfs/dbraw/zinc/86/56/10/402865610.db2.gz OJOYLNMZWRVNMS-GFCCVEGCSA-N 2 2 317.441 2.012 10 0 DEAELP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CCNC(=O)OC(C)(C)C)C1 ZINC000373101851 404528919 /nfs/dbraw/zinc/52/89/19/404528919.db2.gz XUXHRHUCURIVKK-CYBMUJFWSA-N 2 2 308.426 2.124 10 0 DEAELP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CCNC(=O)OC(C)(C)C)C1 ZINC000373101851 404528921 /nfs/dbraw/zinc/52/89/21/404528921.db2.gz XUXHRHUCURIVKK-CYBMUJFWSA-N 2 2 308.426 2.124 10 0 DEAELP c1cncc(C[NH2+]CCC[NH2+]Cc2cccc3c2OCCO3)c1 ZINC000414873859 404754689 /nfs/dbraw/zinc/75/46/89/404754689.db2.gz HEFSDIJHDHDXPC-UHFFFAOYSA-N 2 2 313.401 2.122 10 0 DEAELP CN(C(=O)[C@H]1[C@@H]2CCCC[C@@H]21)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000365754417 404716116 /nfs/dbraw/zinc/71/61/16/404716116.db2.gz VHBMMXIKUIURTK-WNRNVDISSA-N 2 2 319.493 2.050 10 0 DEAELP CN(C(=O)[C@H]1[C@@H]2CCCC[C@@H]21)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000365754417 404716120 /nfs/dbraw/zinc/71/61/20/404716120.db2.gz VHBMMXIKUIURTK-WNRNVDISSA-N 2 2 319.493 2.050 10 0 DEAELP CN(C)c1nc(N2CC[NH+]([C@H]3C[C@@H]3c3ccccc3)CC2)cc[nH+]1 ZINC000361307368 405015467 /nfs/dbraw/zinc/01/54/67/405015467.db2.gz GEVAGRKKQSOJER-SJORKVTESA-N 2 2 323.444 2.221 10 0 DEAELP CC(C)OC[C@@H](O)C[NH2+]C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000379633284 405028557 /nfs/dbraw/zinc/02/85/57/405028557.db2.gz TZPIHGKBOJFGJW-OALUTQOASA-N 2 2 320.477 2.417 10 0 DEAELP CC(C)OC[C@@H](O)C[NH2+]C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000379633284 405028564 /nfs/dbraw/zinc/02/85/64/405028564.db2.gz TZPIHGKBOJFGJW-OALUTQOASA-N 2 2 320.477 2.417 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@@H]1CCC[N@H+](C)C1)C2 ZINC000570377718 406384450 /nfs/dbraw/zinc/38/44/50/406384450.db2.gz RKIPFLLZOLNBPL-UONOGXRCSA-N 2 2 318.465 2.096 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](C)C1)C2 ZINC000570377718 406384454 /nfs/dbraw/zinc/38/44/54/406384454.db2.gz RKIPFLLZOLNBPL-UONOGXRCSA-N 2 2 318.465 2.096 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@@H]1CCC[N@H+](C)C1)CC2 ZINC000570377718 406384459 /nfs/dbraw/zinc/38/44/59/406384459.db2.gz RKIPFLLZOLNBPL-UONOGXRCSA-N 2 2 318.465 2.096 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@@H]1CCC[N@@H+](C)C1)CC2 ZINC000570377718 406384466 /nfs/dbraw/zinc/38/44/66/406384466.db2.gz RKIPFLLZOLNBPL-UONOGXRCSA-N 2 2 318.465 2.096 10 0 DEAELP CC1=CC[N@H+](CC[NH2+][C@@H](C)CC(=O)N2CCCCCC2)CC1 ZINC000547279737 406394782 /nfs/dbraw/zinc/39/47/82/406394782.db2.gz XDTAQTYEZBZIMQ-KRWDZBQOSA-N 2 2 307.482 2.409 10 0 DEAELP CC1=CC[N@@H+](CC[NH2+][C@@H](C)CC(=O)N2CCCCCC2)CC1 ZINC000547279737 406394786 /nfs/dbraw/zinc/39/47/86/406394786.db2.gz XDTAQTYEZBZIMQ-KRWDZBQOSA-N 2 2 307.482 2.409 10 0 DEAELP c1ccc(N2CC[NH+](CCC[NH2+]CCC[C@@H]3CCO3)CC2)cc1 ZINC000638337861 406709538 /nfs/dbraw/zinc/70/95/38/406709538.db2.gz ZURWLVAISNTZIB-LJQANCHMSA-N 2 2 317.477 2.357 10 0 DEAELP c1ccc2nc(C[N@H+]3CC[C@@H](C[NH+]4CCOCC4)C3)ccc2c1 ZINC000129607835 196061842 /nfs/dbraw/zinc/06/18/42/196061842.db2.gz UBJJEXDKKGQFCV-INIZCTEOSA-N 2 2 311.429 2.389 10 0 DEAELP c1ccc2nc(C[N@@H+]3CC[C@@H](C[NH+]4CCOCC4)C3)ccc2c1 ZINC000129607835 196061843 /nfs/dbraw/zinc/06/18/43/196061843.db2.gz UBJJEXDKKGQFCV-INIZCTEOSA-N 2 2 311.429 2.389 10 0 DEAELP CNc1nc(NCCC[NH+]2CCCC2)c(Br)c[nH+]1 ZINC000133106683 196312492 /nfs/dbraw/zinc/31/24/92/196312492.db2.gz GUJYHSHOVMSUET-UHFFFAOYSA-N 2 2 314.231 2.179 10 0 DEAELP Cc1nc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)nc(N)[nH+]1 ZINC000391017636 424918773 /nfs/dbraw/zinc/91/87/73/424918773.db2.gz WLAFJTCXOIBPLR-MQVJKMGUSA-N 2 2 324.432 2.370 10 0 DEAELP Cc1nc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)nc(N)[nH+]1 ZINC000391017636 424918774 /nfs/dbraw/zinc/91/87/74/424918774.db2.gz WLAFJTCXOIBPLR-MQVJKMGUSA-N 2 2 324.432 2.370 10 0 DEAELP Cc1nc(N)nc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)[nH+]1 ZINC000391017636 424918777 /nfs/dbraw/zinc/91/87/77/424918777.db2.gz WLAFJTCXOIBPLR-MQVJKMGUSA-N 2 2 324.432 2.370 10 0 DEAELP Cc1nc(N)nc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[nH+]1 ZINC000391017636 424918778 /nfs/dbraw/zinc/91/87/78/424918778.db2.gz WLAFJTCXOIBPLR-MQVJKMGUSA-N 2 2 324.432 2.370 10 0 DEAELP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000112667191 276361418 /nfs/dbraw/zinc/36/14/18/276361418.db2.gz RMTIPIRSJJQVJD-MRXNPFEDSA-N 2 2 318.465 2.303 10 0 DEAELP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000112667191 276361419 /nfs/dbraw/zinc/36/14/19/276361419.db2.gz RMTIPIRSJJQVJD-MRXNPFEDSA-N 2 2 318.465 2.303 10 0 DEAELP CN1C(=O)C[C@H]([NH2+]C2CC[NH+](C)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000090968672 277014176 /nfs/dbraw/zinc/01/41/76/277014176.db2.gz KGRNWMGBGKSKPD-RDJZCZTQSA-N 2 2 321.852 2.296 10 0 DEAELP C[C@@H](C(=O)N1CCSc2ccccc21)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261689682 278195424 /nfs/dbraw/zinc/19/54/24/278195424.db2.gz HJYOAAMFTLFCTQ-SUMWQHHRSA-N 2 2 319.474 2.185 10 0 DEAELP C[C@@H](C(=O)N1CCSc2ccccc21)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261689682 278195425 /nfs/dbraw/zinc/19/54/25/278195425.db2.gz HJYOAAMFTLFCTQ-SUMWQHHRSA-N 2 2 319.474 2.185 10 0 DEAELP C[NH+](C)[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)c1cccs1 ZINC000261907971 289364801 /nfs/dbraw/zinc/36/48/01/289364801.db2.gz INZKTUMXOVPSEM-LVQVYYBASA-N 2 2 323.506 2.098 10 0 DEAELP CC(=O)N1CC[C@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c2ccccc2C1 ZINC000575371644 326236515 /nfs/dbraw/zinc/23/65/15/326236515.db2.gz UGAJMPCJDKWPHN-RDJZCZTQSA-N 2 2 324.428 2.350 10 0 DEAELP CC(=O)N1CC[C@H]([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)c2ccccc2C1 ZINC000575371644 326236516 /nfs/dbraw/zinc/23/65/16/326236516.db2.gz UGAJMPCJDKWPHN-RDJZCZTQSA-N 2 2 324.428 2.350 10 0 DEAELP Cc1ccc(O)c(C[NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)n1 ZINC000328639463 534197182 /nfs/dbraw/zinc/19/71/82/534197182.db2.gz PNSWETLCBPWCGM-YJBOKZPZSA-N 2 2 312.417 2.273 10 0 DEAELP Cc1ccc(O)c(C[NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)n1 ZINC000328639463 534197189 /nfs/dbraw/zinc/19/71/89/534197189.db2.gz PNSWETLCBPWCGM-YJBOKZPZSA-N 2 2 312.417 2.273 10 0 DEAELP CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)C[C@@H]1CCC[C@H]1[NH3+])C2 ZINC000261871788 535137205 /nfs/dbraw/zinc/13/72/05/535137205.db2.gz XYGKRCOUNKCGJT-MELADBBJSA-N 2 2 318.465 2.129 10 0 DEAELP COc1cc(C[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)cc(OC)c1OC ZINC000262538393 536769955 /nfs/dbraw/zinc/76/99/55/536769955.db2.gz QSVBNEAEULNXCO-HNNXBMFYSA-N 2 2 308.422 2.272 10 0 DEAELP COc1cc(C[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)cc(OC)c1OC ZINC000262538393 536769959 /nfs/dbraw/zinc/76/99/59/536769959.db2.gz QSVBNEAEULNXCO-HNNXBMFYSA-N 2 2 308.422 2.272 10 0 DEAELP CC(C)[NH2+][C@H]1CCCN(C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000738951962 635684258 /nfs/dbraw/zinc/68/42/58/635684258.db2.gz OBWUCMNQCBQXIU-ZDUSSCGKSA-N 2 2 301.394 2.329 10 0 DEAELP CO[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390920352 685443786 /nfs/dbraw/zinc/44/37/86/685443786.db2.gz WXKMEMZSFYQPTD-GBESFXJTSA-N 2 2 318.461 2.435 10 0 DEAELP CO[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390920352 685443789 /nfs/dbraw/zinc/44/37/89/685443789.db2.gz WXKMEMZSFYQPTD-GBESFXJTSA-N 2 2 318.461 2.435 10 0 DEAELP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000724641298 787352403 /nfs/dbraw/zinc/35/24/03/787352403.db2.gz UEVSGVYJVHGTJB-BZSNNMDCSA-N 2 2 318.461 2.291 10 0 DEAELP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000724641298 787352412 /nfs/dbraw/zinc/35/24/12/787352412.db2.gz UEVSGVYJVHGTJB-BZSNNMDCSA-N 2 2 318.461 2.291 10 0 DEAELP C[C@@H](C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2)[NH+](C)C ZINC000707938975 1086675350 /nfs/dbraw/zinc/67/53/50/1086675350.db2.gz CWGHFHIXKFGTPH-XQLPTFJDSA-N 2 2 311.470 2.314 10 0 DEAELP Nc1ccc(C[NH2+][C@H]2CC[N@@H+](C3CC3)C2)cc1Br ZINC000078897949 185125597 /nfs/dbraw/zinc/12/55/97/185125597.db2.gz WAYQALLMJUODQR-NSHDSACASA-N 2 2 310.239 2.358 10 0 DEAELP Nc1ccc(C[NH2+][C@H]2CC[N@H+](C3CC3)C2)cc1Br ZINC000078897949 185125598 /nfs/dbraw/zinc/12/55/98/185125598.db2.gz WAYQALLMJUODQR-NSHDSACASA-N 2 2 310.239 2.358 10 0 DEAELP C[C@@H](c1ccc(Br)cc1)[NH+]1CC(N2CC[NH2+]CC2)C1 ZINC000090308269 185290125 /nfs/dbraw/zinc/29/01/25/185290125.db2.gz TVZAHITVAOEUAB-LBPRGKRZSA-N 2 2 324.266 2.100 10 0 DEAELP CC1(C)[C@@H]2C[NH2+]C[C@H]2C[N@@H+]1Cc1cn2cc(Cl)ccc2n1 ZINC000090337654 185291795 /nfs/dbraw/zinc/29/17/95/185291795.db2.gz HVXQVGLXFQKRIY-SMDDNHRTSA-N 2 2 304.825 2.418 10 0 DEAELP CC1(C)[C@@H]2C[NH2+]C[C@H]2C[N@H+]1Cc1cn2cc(Cl)ccc2n1 ZINC000090337654 185291796 /nfs/dbraw/zinc/29/17/96/185291796.db2.gz HVXQVGLXFQKRIY-SMDDNHRTSA-N 2 2 304.825 2.418 10 0 DEAELP C[N@H+](Cc1ccccc1Br)C[C@@]1(C)COC[C@@H]1[NH3+] ZINC000090606707 185306548 /nfs/dbraw/zinc/30/65/48/185306548.db2.gz CDLIXUITABDVTM-KBPBESRZSA-N 2 2 313.239 2.245 10 0 DEAELP C[N@@H+](Cc1ccccc1Br)C[C@@]1(C)COC[C@@H]1[NH3+] ZINC000090606707 185306549 /nfs/dbraw/zinc/30/65/49/185306549.db2.gz CDLIXUITABDVTM-KBPBESRZSA-N 2 2 313.239 2.245 10 0 DEAELP CC[N@H+](CC(=O)OC(C)(C)C)C1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000190351293 282318748 /nfs/dbraw/zinc/31/87/48/282318748.db2.gz QMKOWSUPZDNKLP-UHFFFAOYSA-N 2 2 322.453 2.038 10 0 DEAELP CC[N@@H+](CC(=O)OC(C)(C)C)C1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000190351293 282318752 /nfs/dbraw/zinc/31/87/52/282318752.db2.gz QMKOWSUPZDNKLP-UHFFFAOYSA-N 2 2 322.453 2.038 10 0 DEAELP Cn1ccc(C[N@H+](C)C[C@@H]2CCC[NH+](C)[C@H]2c2cnn(C)c2)c1 ZINC000328637731 530010025 /nfs/dbraw/zinc/01/00/25/530010025.db2.gz OTHQCTVAZRBDTC-FUHWJXTLSA-N 2 2 315.465 2.274 10 0 DEAELP Cn1ccc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)[C@H]2c2cnn(C)c2)c1 ZINC000328637731 530010026 /nfs/dbraw/zinc/01/00/26/530010026.db2.gz OTHQCTVAZRBDTC-FUHWJXTLSA-N 2 2 315.465 2.274 10 0 DEAELP Cn1ccc(C[NH+](C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)c1 ZINC000328637731 530010028 /nfs/dbraw/zinc/01/00/28/530010028.db2.gz OTHQCTVAZRBDTC-FUHWJXTLSA-N 2 2 315.465 2.274 10 0 DEAELP Cn1ccc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)c1 ZINC000328637731 530010029 /nfs/dbraw/zinc/01/00/29/530010029.db2.gz OTHQCTVAZRBDTC-FUHWJXTLSA-N 2 2 315.465 2.274 10 0 DEAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2nnc(-c3ccco3)o2)[C@@H](C)C1 ZINC000245423856 282387150 /nfs/dbraw/zinc/38/71/50/282387150.db2.gz JSGKYQRHYGATQI-STQMWFEESA-N 2 2 304.394 2.492 10 0 DEAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2nnc(-c3ccco3)o2)[C@@H](C)C1 ZINC000245423856 282387152 /nfs/dbraw/zinc/38/71/52/282387152.db2.gz JSGKYQRHYGATQI-STQMWFEESA-N 2 2 304.394 2.492 10 0 DEAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2nnc(-c3ccco3)o2)[C@@H](C)C1 ZINC000245423856 282387153 /nfs/dbraw/zinc/38/71/53/282387153.db2.gz JSGKYQRHYGATQI-STQMWFEESA-N 2 2 304.394 2.492 10 0 DEAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2nnc(-c3ccco3)o2)[C@@H](C)C1 ZINC000245423856 282387155 /nfs/dbraw/zinc/38/71/55/282387155.db2.gz JSGKYQRHYGATQI-STQMWFEESA-N 2 2 304.394 2.492 10 0 DEAELP C[C@H]([NH2+]CCn1cc[nH+]c1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000279679753 215055579 /nfs/dbraw/zinc/05/55/79/215055579.db2.gz GXSDHHHSSJHDDB-UONOGXRCSA-N 2 2 308.426 2.118 10 0 DEAELP C[C@@H]([NH2+]CCN1CCOC[C@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000249443892 282560847 /nfs/dbraw/zinc/56/08/47/282560847.db2.gz FQVBFUCESMKIIV-HZPDHXFCSA-N 2 2 314.433 2.244 10 0 DEAELP c1cc2cnccc2c(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000183358511 539662100 /nfs/dbraw/zinc/66/21/00/539662100.db2.gz JUVPMVBAEYNTRZ-INIZCTEOSA-N 2 2 311.429 2.389 10 0 DEAELP c1cc2cnccc2c(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000183358511 539662105 /nfs/dbraw/zinc/66/21/05/539662105.db2.gz JUVPMVBAEYNTRZ-INIZCTEOSA-N 2 2 311.429 2.389 10 0 DEAELP C[C@H](C(=O)Nc1cccc(Cl)c1-n1cc[nH+]c1)C1C[NH2+]C1 ZINC000163932166 186142599 /nfs/dbraw/zinc/14/25/99/186142599.db2.gz MUSRGWMEVZUZKA-JTQLQIEISA-N 2 2 304.781 2.320 10 0 DEAELP CC[C@H]([NH3+])[C@H](c1ccc(Cl)cc1)[N@H+](CCO)CCOC ZINC000164208233 186151780 /nfs/dbraw/zinc/15/17/80/186151780.db2.gz OYHWDFADXLVBNN-GJZGRUSLSA-N 2 2 300.830 2.059 10 0 DEAELP CC[C@H]([NH3+])[C@H](c1ccc(Cl)cc1)[N@@H+](CCO)CCOC ZINC000164208233 186151783 /nfs/dbraw/zinc/15/17/83/186151783.db2.gz OYHWDFADXLVBNN-GJZGRUSLSA-N 2 2 300.830 2.059 10 0 DEAELP C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC[N@@H+]1C ZINC000172620616 198126639 /nfs/dbraw/zinc/12/66/39/198126639.db2.gz MJJDQNWHASYQOS-PBHICJAKSA-N 2 2 312.417 2.427 10 0 DEAELP C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC[N@H+]1C ZINC000172620616 198126640 /nfs/dbraw/zinc/12/66/40/198126640.db2.gz MJJDQNWHASYQOS-PBHICJAKSA-N 2 2 312.417 2.427 10 0 DEAELP C[C@H]1C[C@@H]([NH+](C)CC(=O)N(C)Cc2cccs2)CC[N@@H+]1C ZINC000174873797 198395669 /nfs/dbraw/zinc/39/56/69/198395669.db2.gz OHAJSQFTGCSGIE-KBPBESRZSA-N 2 2 309.479 2.121 10 0 DEAELP C[C@H]1C[C@@H]([NH+](C)CC(=O)N(C)Cc2cccs2)CC[N@H+]1C ZINC000174873797 198395671 /nfs/dbraw/zinc/39/56/71/198395671.db2.gz OHAJSQFTGCSGIE-KBPBESRZSA-N 2 2 309.479 2.121 10 0 DEAELP C[C@H]1C[C@@H]([N@H+](C)CC(=O)N(C)Cc2cccs2)CC[NH+]1C ZINC000174873797 198395673 /nfs/dbraw/zinc/39/56/73/198395673.db2.gz OHAJSQFTGCSGIE-KBPBESRZSA-N 2 2 309.479 2.121 10 0 DEAELP C[C@H]1C[C@@H]([N@@H+](C)CC(=O)N(C)Cc2cccs2)CC[NH+]1C ZINC000174873797 198395674 /nfs/dbraw/zinc/39/56/74/198395674.db2.gz OHAJSQFTGCSGIE-KBPBESRZSA-N 2 2 309.479 2.121 10 0 DEAELP C[C@@H](CCn1cccn1)[NH2+][C@H](Cc1ccccc1)C[NH+](C)C ZINC000158672859 295873712 /nfs/dbraw/zinc/87/37/12/295873712.db2.gz VJUJQBKZEKAUBG-FUHWJXTLSA-N 2 2 300.450 2.424 10 0 DEAELP CCOC(=O)[C@]12C[N@H+](Cc3ccccc3)C[C@H]1C[NH+](C)CC2 ZINC000004203253 181084685 /nfs/dbraw/zinc/08/46/85/181084685.db2.gz LRDMAULBYRDLTC-SJLPKXTDSA-N 2 2 302.418 2.003 10 0 DEAELP CCOC(=O)[C@]12C[N@@H+](Cc3ccccc3)C[C@H]1C[NH+](C)CC2 ZINC000004203253 181084687 /nfs/dbraw/zinc/08/46/87/181084687.db2.gz LRDMAULBYRDLTC-SJLPKXTDSA-N 2 2 302.418 2.003 10 0 DEAELP CCOC(=O)[C@]12C[NH+](Cc3ccccc3)C[C@H]1C[N@H+](C)CC2 ZINC000004203253 181084689 /nfs/dbraw/zinc/08/46/89/181084689.db2.gz LRDMAULBYRDLTC-SJLPKXTDSA-N 2 2 302.418 2.003 10 0 DEAELP CCOC(=O)[C@]12C[NH+](Cc3ccccc3)C[C@H]1C[N@@H+](C)CC2 ZINC000004203253 181084691 /nfs/dbraw/zinc/08/46/91/181084691.db2.gz LRDMAULBYRDLTC-SJLPKXTDSA-N 2 2 302.418 2.003 10 0 DEAELP Cc1nnc([C@H](C)[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)o1 ZINC000069016745 354844336 /nfs/dbraw/zinc/84/43/36/354844336.db2.gz HFPSEYRFWDXUQG-MJBXVCDLSA-N 2 2 322.453 2.260 10 0 DEAELP Cc1nnc([C@H](C)[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)o1 ZINC000069016745 354844339 /nfs/dbraw/zinc/84/43/39/354844339.db2.gz HFPSEYRFWDXUQG-MJBXVCDLSA-N 2 2 322.453 2.260 10 0 DEAELP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000370529478 283126266 /nfs/dbraw/zinc/12/62/66/283126266.db2.gz UDIKHPAWMDWINU-XGUBFFRZSA-N 2 2 318.465 2.312 10 0 DEAELP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000370529478 283126268 /nfs/dbraw/zinc/12/62/68/283126268.db2.gz UDIKHPAWMDWINU-XGUBFFRZSA-N 2 2 318.465 2.312 10 0 DEAELP CC[C@@H]1CCCCCN1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000179311916 356020113 /nfs/dbraw/zinc/02/01/13/356020113.db2.gz YMPKTRAOTBFTKK-MRXNPFEDSA-N 2 2 324.513 2.377 10 0 DEAELP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400355776 283155931 /nfs/dbraw/zinc/15/59/31/283155931.db2.gz BCUFFYUZOLQBMU-SOUVJXGZSA-N 2 2 311.470 2.316 10 0 DEAELP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400355776 283155935 /nfs/dbraw/zinc/15/59/35/283155935.db2.gz BCUFFYUZOLQBMU-SOUVJXGZSA-N 2 2 311.470 2.316 10 0 DEAELP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCN(c2nc3ccccc3o2)CC1 ZINC000179270716 199007905 /nfs/dbraw/zinc/00/79/05/199007905.db2.gz ODCYGMGGTDFSAD-OAHLLOKOSA-N 2 2 314.433 2.434 10 0 DEAELP C[N@H+]1CCC[C@@H]1CC[NH+]1CCN(c2nc3ccccc3o2)CC1 ZINC000179270716 199007906 /nfs/dbraw/zinc/00/79/06/199007906.db2.gz ODCYGMGGTDFSAD-OAHLLOKOSA-N 2 2 314.433 2.434 10 0 DEAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)c2ccco2)nc[nH+]1 ZINC000180574804 199178555 /nfs/dbraw/zinc/17/85/55/199178555.db2.gz GDSMTAPEGZDSIR-CHWSQXEVSA-N 2 2 301.394 2.431 10 0 DEAELP CCSCC[NH2+]C[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000597237779 358864622 /nfs/dbraw/zinc/86/46/22/358864622.db2.gz IBQILFPJYRUFOW-QGZVFWFLSA-N 2 2 307.507 2.145 10 0 DEAELP CCSCC[NH2+]C[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000597237779 358864626 /nfs/dbraw/zinc/86/46/26/358864626.db2.gz IBQILFPJYRUFOW-QGZVFWFLSA-N 2 2 307.507 2.145 10 0 DEAELP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cccc(S(C)(=O)=O)c1 ZINC000449323679 240360857 /nfs/dbraw/zinc/36/08/57/240360857.db2.gz ALBFPQFHXHJFAC-UHFFFAOYSA-N 2 2 321.446 2.117 10 0 DEAELP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cccc(S(C)(=O)=O)c1 ZINC000449323679 240360871 /nfs/dbraw/zinc/36/08/71/240360871.db2.gz ALBFPQFHXHJFAC-UHFFFAOYSA-N 2 2 321.446 2.117 10 0 DEAELP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000608313838 361196647 /nfs/dbraw/zinc/19/66/47/361196647.db2.gz OJTFLHIPVAKMFM-CYBMUJFWSA-N 2 2 301.394 2.140 10 0 DEAELP [NH3+][C@@H]1C=C[C@H](C(=O)Nc2cccc(Cl)c2-n2cc[nH+]c2)C1 ZINC000092202398 193172897 /nfs/dbraw/zinc/17/28/97/193172897.db2.gz PQENOCWYAPSSQF-WDEREUQCSA-N 2 2 302.765 2.368 10 0 DEAELP c1cc(-c2noc(C[N@@H+]3CCC[C@@H]4C[NH2+]CC[C@H]43)n2)cs1 ZINC000631886689 368443130 /nfs/dbraw/zinc/44/31/30/368443130.db2.gz LGRLRTWGACNOGZ-DGCLKSJQSA-N 2 2 304.419 2.372 10 0 DEAELP c1cc(-c2noc(C[N@H+]3CCC[C@@H]4C[NH2+]CC[C@H]43)n2)cs1 ZINC000631886689 368443133 /nfs/dbraw/zinc/44/31/33/368443133.db2.gz LGRLRTWGACNOGZ-DGCLKSJQSA-N 2 2 304.419 2.372 10 0 DEAELP Brc1cnccc1C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631888996 368445965 /nfs/dbraw/zinc/44/59/65/368445965.db2.gz BATKFRNEJYFVBK-FZMZJTMJSA-N 2 2 310.239 2.418 10 0 DEAELP Brc1cnccc1C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631888996 368445970 /nfs/dbraw/zinc/44/59/70/368445970.db2.gz BATKFRNEJYFVBK-FZMZJTMJSA-N 2 2 310.239 2.418 10 0 DEAELP CC[NH2+][C@@H](c1ccc(Cl)c(OC)c1)[C@@H]1C[N@H+](C)CCN1C ZINC000094009137 193338146 /nfs/dbraw/zinc/33/81/46/193338146.db2.gz MYTSIOIJHPGMTE-HOCLYGCPSA-N 2 2 311.857 2.245 10 0 DEAELP CC[NH2+][C@@H](c1ccc(Cl)c(OC)c1)[C@@H]1C[N@@H+](C)CCN1C ZINC000094009137 193338147 /nfs/dbraw/zinc/33/81/47/193338147.db2.gz MYTSIOIJHPGMTE-HOCLYGCPSA-N 2 2 311.857 2.245 10 0 DEAELP CCC[NH2+][C@@H]1CCCc2nc([C@@H]3C[N@H+](C)CCN3C)sc21 ZINC000093896228 193325135 /nfs/dbraw/zinc/32/51/35/193325135.db2.gz HKMBHALKBLIYEM-OCCSQVGLSA-N 2 2 308.495 2.438 10 0 DEAELP CCC[NH2+][C@@H]1CCCc2nc([C@@H]3C[N@@H+](C)CCN3C)sc21 ZINC000093896228 193325137 /nfs/dbraw/zinc/32/51/37/193325137.db2.gz HKMBHALKBLIYEM-OCCSQVGLSA-N 2 2 308.495 2.438 10 0 DEAELP COc1nc2sccn2c1C[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000040623108 183109475 /nfs/dbraw/zinc/10/94/75/183109475.db2.gz WVPYUQFYCYALEH-LBPRGKRZSA-N 2 2 308.451 2.224 10 0 DEAELP COc1nc2sccn2c1C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000040623108 183109476 /nfs/dbraw/zinc/10/94/76/183109476.db2.gz WVPYUQFYCYALEH-LBPRGKRZSA-N 2 2 308.451 2.224 10 0 DEAELP CCC[N@H+](CC(=O)Nc1nccs1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748617 183128895 /nfs/dbraw/zinc/12/88/95/183128895.db2.gz WNDVARZWDVVSEA-FUNVUKJBSA-N 2 2 308.451 2.077 10 0 DEAELP CCC[N@@H+](CC(=O)Nc1nccs1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748617 183128898 /nfs/dbraw/zinc/12/88/98/183128898.db2.gz WNDVARZWDVVSEA-FUNVUKJBSA-N 2 2 308.451 2.077 10 0 DEAELP CC[C@H]([NH3+])[C@H](c1sccc1C)[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000043248010 183346691 /nfs/dbraw/zinc/34/66/91/183346691.db2.gz CKTDYXVTKLAENH-BFHYXJOUSA-N 2 2 309.479 2.388 10 0 DEAELP CC[C@H]([NH3+])[C@H](c1sccc1C)[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000043248010 183346693 /nfs/dbraw/zinc/34/66/93/183346693.db2.gz CKTDYXVTKLAENH-BFHYXJOUSA-N 2 2 309.479 2.388 10 0 DEAELP CC[C@@H]([NH3+])[C@H](c1ccc(C)s1)[N@@H+]1CCCN(C(C)=O)CC1 ZINC000043243209 183347222 /nfs/dbraw/zinc/34/72/22/183347222.db2.gz MYBGKHJDCJVHNM-GDBMZVCRSA-N 2 2 309.479 2.389 10 0 DEAELP CC[C@@H]([NH3+])[C@H](c1ccc(C)s1)[N@H+]1CCCN(C(C)=O)CC1 ZINC000043243209 183347223 /nfs/dbraw/zinc/34/72/23/183347223.db2.gz MYBGKHJDCJVHNM-GDBMZVCRSA-N 2 2 309.479 2.389 10 0 DEAELP C[C@H](CC[NH+](C)C)Nc1[nH+]c2c(cc1C(N)=S)CCCC2 ZINC000043410950 183360307 /nfs/dbraw/zinc/36/03/07/183360307.db2.gz KDCLNNYDGSFINE-LLVKDONJSA-N 2 2 306.479 2.347 10 0 DEAELP Cn1cc[nH+]c1CC[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000045134381 183483527 /nfs/dbraw/zinc/48/35/27/183483527.db2.gz QXQKSDLVZWOHKD-CYBMUJFWSA-N 2 2 324.222 2.048 10 0 DEAELP O=c1[nH]c(CC[NH+]2CCC(c3[nH]cc[nH+]3)CC2)nc2ccccc21 ZINC000533026115 284748654 /nfs/dbraw/zinc/74/86/54/284748654.db2.gz VVUUWDFTWISBPQ-UHFFFAOYSA-N 2 2 323.400 2.481 10 0 DEAELP CCOC(=O)[C@@H](CC)[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000247216880 535458569 /nfs/dbraw/zinc/45/85/69/535458569.db2.gz COXWBQQWQVGDEL-LSDHHAIUSA-N 2 2 305.422 2.466 10 0 DEAELP CCOC(=O)[C@@H](CC)[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000247216880 535458578 /nfs/dbraw/zinc/45/85/78/535458578.db2.gz COXWBQQWQVGDEL-LSDHHAIUSA-N 2 2 305.422 2.466 10 0 DEAELP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000109755648 194282786 /nfs/dbraw/zinc/28/27/86/194282786.db2.gz RKZXYYHQIPZZBN-GOSISDBHSA-N 2 2 305.441 2.428 10 0 DEAELP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000109755648 194282787 /nfs/dbraw/zinc/28/27/87/194282787.db2.gz RKZXYYHQIPZZBN-GOSISDBHSA-N 2 2 305.441 2.428 10 0 DEAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2ccc(OC)cc21 ZINC000163318850 285038868 /nfs/dbraw/zinc/03/88/68/285038868.db2.gz ZCWHNYZRYXCHGB-MAUKXSAKSA-N 2 2 304.434 2.383 10 0 DEAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2ccc(OC)cc21 ZINC000163318850 285038870 /nfs/dbraw/zinc/03/88/70/285038870.db2.gz ZCWHNYZRYXCHGB-MAUKXSAKSA-N 2 2 304.434 2.383 10 0 DEAELP CC(C)CC(=O)Nc1ncc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)s1 ZINC000725273005 542770965 /nfs/dbraw/zinc/77/09/65/542770965.db2.gz XDKQFWKXAYEYBX-DGCLKSJQSA-N 2 2 310.467 2.297 10 0 DEAELP CC(C)CC(=O)Nc1ncc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)s1 ZINC000725273005 542770967 /nfs/dbraw/zinc/77/09/67/542770967.db2.gz XDKQFWKXAYEYBX-DGCLKSJQSA-N 2 2 310.467 2.297 10 0 DEAELP CC1=CC[N@H+](CC[NH2+]Cc2cn(C)nc2-c2ccncc2)CC1 ZINC000358170285 133125713 /nfs/dbraw/zinc/12/57/13/133125713.db2.gz QWDXJFCFBVGQEQ-UHFFFAOYSA-N 2 2 311.433 2.224 10 0 DEAELP CC1=CC[N@@H+](CC[NH2+]Cc2cn(C)nc2-c2ccncc2)CC1 ZINC000358170285 133125714 /nfs/dbraw/zinc/12/57/14/133125714.db2.gz QWDXJFCFBVGQEQ-UHFFFAOYSA-N 2 2 311.433 2.224 10 0 DEAELP c1[nH]c2c([nH+]1)CC[C@H]([NH2+]Cc1cnc([C@H]3CCCO3)s1)C2 ZINC000368258168 133266720 /nfs/dbraw/zinc/26/67/20/133266720.db2.gz IYHMZRVRQWUCRA-IINYFYTJSA-N 2 2 304.419 2.365 10 0 DEAELP c1[nH]c2c([nH+]1)C[C@@H]([NH2+]Cc1cnc([C@H]3CCCO3)s1)CC2 ZINC000368258168 133266721 /nfs/dbraw/zinc/26/67/21/133266721.db2.gz IYHMZRVRQWUCRA-IINYFYTJSA-N 2 2 304.419 2.365 10 0 DEAELP O=C(NCc1ccc2c(c1)C[NH2+]C2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000188725104 145016096 /nfs/dbraw/zinc/01/60/96/145016096.db2.gz XHQUNZPYJDHJHK-UHFFFAOYSA-N 2 2 318.380 2.406 10 0 DEAELP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)c2nnnn2C)cc1 ZINC000189858803 145035582 /nfs/dbraw/zinc/03/55/82/145035582.db2.gz NCWMLXFGINZUFK-NEPJUHHUSA-N 2 2 311.393 2.116 10 0 DEAELP CC(C)[NH2+]CC[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000191536063 145060389 /nfs/dbraw/zinc/06/03/89/145060389.db2.gz WQNXNTPDUGZTSL-IAGOWNOFSA-N 3 2 311.514 2.196 10 0 DEAELP COc1ccccc1NC(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000247031622 145123992 /nfs/dbraw/zinc/12/39/92/145123992.db2.gz QSHZOPVTIBEMAP-GDBMZVCRSA-N 2 2 317.433 2.050 10 0 DEAELP COc1ccccc1NC(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000247031622 145123993 /nfs/dbraw/zinc/12/39/93/145123993.db2.gz QSHZOPVTIBEMAP-GDBMZVCRSA-N 2 2 317.433 2.050 10 0 DEAELP COc1ccccc1NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000247031622 145123994 /nfs/dbraw/zinc/12/39/94/145123994.db2.gz QSHZOPVTIBEMAP-GDBMZVCRSA-N 2 2 317.433 2.050 10 0 DEAELP COc1ccccc1NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000247031622 145123995 /nfs/dbraw/zinc/12/39/95/145123995.db2.gz QSHZOPVTIBEMAP-GDBMZVCRSA-N 2 2 317.433 2.050 10 0 DEAELP C[C@@H]1CC[N@H+](CC(=O)NCc2cccs2)C[C@H]1n1cc[nH+]c1 ZINC000247535202 145140555 /nfs/dbraw/zinc/14/05/55/145140555.db2.gz JRVQHGSHVQNXTE-UKRRQHHQSA-N 2 2 318.446 2.144 10 0 DEAELP C[C@@H]1CC[N@@H+](CC(=O)NCc2cccs2)C[C@H]1n1cc[nH+]c1 ZINC000247535202 145140557 /nfs/dbraw/zinc/14/05/57/145140557.db2.gz JRVQHGSHVQNXTE-UKRRQHHQSA-N 2 2 318.446 2.144 10 0 DEAELP Cc1ccsc1CNC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248140269 145148556 /nfs/dbraw/zinc/14/85/56/145148556.db2.gz PPEOOUYUIYYFOU-GJZGRUSLSA-N 2 2 321.490 2.089 10 0 DEAELP Cc1ccsc1CNC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248140269 145148557 /nfs/dbraw/zinc/14/85/57/145148557.db2.gz PPEOOUYUIYYFOU-GJZGRUSLSA-N 2 2 321.490 2.089 10 0 DEAELP Cc1ccsc1CNC(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248140269 145148558 /nfs/dbraw/zinc/14/85/58/145148558.db2.gz PPEOOUYUIYYFOU-GJZGRUSLSA-N 2 2 321.490 2.089 10 0 DEAELP Cc1ccsc1CNC(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248140269 145148559 /nfs/dbraw/zinc/14/85/59/145148559.db2.gz PPEOOUYUIYYFOU-GJZGRUSLSA-N 2 2 321.490 2.089 10 0 DEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@@H](C)c1nc(C)cc(=O)[nH]1 ZINC000248759097 145167339 /nfs/dbraw/zinc/16/73/39/145167339.db2.gz QHYMBOCNBBKZJC-JSGCOSHPSA-N 2 2 301.394 2.221 10 0 DEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@@H](C)c1nc(C)cc(=O)[nH]1 ZINC000248759097 145167341 /nfs/dbraw/zinc/16/73/41/145167341.db2.gz QHYMBOCNBBKZJC-JSGCOSHPSA-N 2 2 301.394 2.221 10 0 DEAELP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1[nH+]ccc(OC)c1OC ZINC000249046512 145176932 /nfs/dbraw/zinc/17/69/32/145176932.db2.gz HKOBBROTSNNUOC-KGLIPLIRSA-N 2 2 305.422 2.157 10 0 DEAELP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1[nH+]ccc(OC)c1OC ZINC000249046512 145176934 /nfs/dbraw/zinc/17/69/34/145176934.db2.gz HKOBBROTSNNUOC-KGLIPLIRSA-N 2 2 305.422 2.157 10 0 DEAELP C[C@H](C(=O)NCc1ccc[nH+]c1N(C)C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000249763375 145189729 /nfs/dbraw/zinc/18/97/29/145189729.db2.gz XYJPIEUFHKLRFM-HZSPNIEDSA-N 2 2 304.438 2.025 10 0 DEAELP C[C@H](C(=O)NCc1ccc[nH+]c1N(C)C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000249763375 145189733 /nfs/dbraw/zinc/18/97/33/145189733.db2.gz XYJPIEUFHKLRFM-HZSPNIEDSA-N 2 2 304.438 2.025 10 0 DEAELP CCC[N@H+](Cc1noc(C[NH3+])n1)[C@H]1C[C@H](OCC)C12CCCC2 ZINC000261621921 145211257 /nfs/dbraw/zinc/21/12/57/145211257.db2.gz DCYHAGILTKAOTF-KBPBESRZSA-N 2 2 322.453 2.478 10 0 DEAELP CCC[N@@H+](Cc1noc(C[NH3+])n1)[C@H]1C[C@H](OCC)C12CCCC2 ZINC000261621921 145211259 /nfs/dbraw/zinc/21/12/59/145211259.db2.gz DCYHAGILTKAOTF-KBPBESRZSA-N 2 2 322.453 2.478 10 0 DEAELP CCc1ccc(CN(C)C(=O)C[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000261692977 145217483 /nfs/dbraw/zinc/21/74/83/145217483.db2.gz KVIQCQDYWRGFPA-QGZVFWFLSA-N 2 2 317.477 2.267 10 0 DEAELP CCc1ccc(CN(C)C(=O)C[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000261692977 145217484 /nfs/dbraw/zinc/21/74/84/145217484.db2.gz KVIQCQDYWRGFPA-QGZVFWFLSA-N 2 2 317.477 2.267 10 0 DEAELP C[C@]1(CN2CC[NH+](Cc3ccccc3Cl)CC2)CC[NH2+]C1 ZINC000261765568 145224145 /nfs/dbraw/zinc/22/41/45/145224145.db2.gz LVBJEMFTEFAIFW-KRWDZBQOSA-N 2 2 307.869 2.457 10 0 DEAELP C[C@]1(C[NH+]2CCN(Cc3ccccc3Cl)CC2)CC[NH2+]C1 ZINC000261765568 145224146 /nfs/dbraw/zinc/22/41/46/145224146.db2.gz LVBJEMFTEFAIFW-KRWDZBQOSA-N 2 2 307.869 2.457 10 0 DEAELP Cc1ccc(CNC(=O)[C@H](C)[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000261828755 145230939 /nfs/dbraw/zinc/23/09/39/145230939.db2.gz YNNCOBDBWCEATP-GOEBONIOSA-N 2 2 303.450 2.059 10 0 DEAELP Cc1ccc(CNC(=O)[C@H](C)[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000261828755 145230940 /nfs/dbraw/zinc/23/09/40/145230940.db2.gz YNNCOBDBWCEATP-GOEBONIOSA-N 2 2 303.450 2.059 10 0 DEAELP Cc1[nH+]c2ccccc2n1CCNC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000261968984 145247919 /nfs/dbraw/zinc/24/79/19/145247919.db2.gz YSAQAZXRFLLOMW-MRXNPFEDSA-N 2 2 314.433 2.239 10 0 DEAELP C[NH+](C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)C1CCCCC1 ZINC000261976835 145248373 /nfs/dbraw/zinc/24/83/73/145248373.db2.gz RDKWGWAFFCUJEZ-WJFTUGDTSA-N 3 2 323.525 2.244 10 0 DEAELP CSc1cc2c(cc1C[N@@H+]1CC[C@@]3(CC[NH2+]C3)C1)OCCO2 ZINC000262097124 145261608 /nfs/dbraw/zinc/26/16/08/145261608.db2.gz VHPMVCIXUNQXEN-QGZVFWFLSA-N 2 2 320.458 2.365 10 0 DEAELP CSc1cc2c(cc1C[N@H+]1CC[C@@]3(CC[NH2+]C3)C1)OCCO2 ZINC000262097124 145261611 /nfs/dbraw/zinc/26/16/11/145261611.db2.gz VHPMVCIXUNQXEN-QGZVFWFLSA-N 2 2 320.458 2.365 10 0 DEAELP C[C@@]1(CCc2ccccc2)CC[N@H+](Cc2noc(C[NH3+])n2)C1 ZINC000262231043 145271041 /nfs/dbraw/zinc/27/10/41/145271041.db2.gz NXGCTBXRYZZSCV-QGZVFWFLSA-N 2 2 300.406 2.373 10 0 DEAELP C[C@@]1(CCc2ccccc2)CC[N@@H+](Cc2noc(C[NH3+])n2)C1 ZINC000262231043 145271042 /nfs/dbraw/zinc/27/10/42/145271042.db2.gz NXGCTBXRYZZSCV-QGZVFWFLSA-N 2 2 300.406 2.373 10 0 DEAELP CNC(=O)c1cccc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000113931393 401787369 /nfs/dbraw/zinc/78/73/69/401787369.db2.gz ZYKOFGZCHXTGGY-MRXNPFEDSA-N 2 2 324.428 2.375 10 0 DEAELP CNC(=O)c1cccc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000113931393 401787370 /nfs/dbraw/zinc/78/73/70/401787370.db2.gz ZYKOFGZCHXTGGY-MRXNPFEDSA-N 2 2 324.428 2.375 10 0 DEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000085407874 401915845 /nfs/dbraw/zinc/91/58/45/401915845.db2.gz GIFGDSNGSOYUPV-GJZGRUSLSA-N 2 2 321.469 2.021 10 0 DEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000085407874 401915848 /nfs/dbraw/zinc/91/58/48/401915848.db2.gz GIFGDSNGSOYUPV-GJZGRUSLSA-N 2 2 321.469 2.021 10 0 DEAELP C[C@@H](O)C[NH+]1CCC(CN(C)c2[nH]c3ccccc3[nH+]2)CC1 ZINC000134951499 401921577 /nfs/dbraw/zinc/92/15/77/401921577.db2.gz WZBMTMCFGCZTIK-CYBMUJFWSA-N 2 2 302.422 2.092 10 0 DEAELP COc1ccc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)cc1F ZINC000151272739 402026962 /nfs/dbraw/zinc/02/69/62/402026962.db2.gz AZAIPVBRJRFXKG-HIFRSBDPSA-N 2 2 310.413 2.332 10 0 DEAELP CC1CCC(O)(C[NH+]2CCC([N@@H+]3CCO[C@H](C)C3)CC2)CC1 ZINC000157967674 402300585 /nfs/dbraw/zinc/30/05/85/402300585.db2.gz XQAXFJCBBAYAMD-UPTPFMHGSA-N 2 2 310.482 2.113 10 0 DEAELP CC1CCC(O)(C[NH+]2CCC([N@H+]3CCO[C@H](C)C3)CC2)CC1 ZINC000157967674 402300588 /nfs/dbraw/zinc/30/05/88/402300588.db2.gz XQAXFJCBBAYAMD-UPTPFMHGSA-N 2 2 310.482 2.113 10 0 DEAELP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(-c3cnn(C)c3)no2)C1 ZINC000185017234 402317166 /nfs/dbraw/zinc/31/71/66/402317166.db2.gz KMLNINQODOQVBH-AWEZNQCLSA-N 2 2 317.437 2.239 10 0 DEAELP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(-c3cnn(C)c3)no2)C1 ZINC000185017234 402317169 /nfs/dbraw/zinc/31/71/69/402317169.db2.gz KMLNINQODOQVBH-AWEZNQCLSA-N 2 2 317.437 2.239 10 0 DEAELP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(-c3cnn(C)c3)no2)C1 ZINC000185017234 402317171 /nfs/dbraw/zinc/31/71/71/402317171.db2.gz KMLNINQODOQVBH-AWEZNQCLSA-N 2 2 317.437 2.239 10 0 DEAELP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(-c3cnn(C)c3)no2)C1 ZINC000185017234 402317174 /nfs/dbraw/zinc/31/71/74/402317174.db2.gz KMLNINQODOQVBH-AWEZNQCLSA-N 2 2 317.437 2.239 10 0 DEAELP CC(C)[NH2+]C1CC[NH+](Cc2cc(-c3cnn(C)c3)no2)CC1 ZINC000185032135 402318504 /nfs/dbraw/zinc/31/85/04/402318504.db2.gz ZJMDDCVRZQPDRU-UHFFFAOYSA-N 2 2 303.410 2.038 10 0 DEAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2cccc(F)c2)[C@@H](C)C1 ZINC000245422390 402458629 /nfs/dbraw/zinc/45/86/29/402458629.db2.gz IRPPYUQMFCEVRR-XJKSGUPXSA-N 2 2 307.413 2.426 10 0 DEAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2cccc(F)c2)[C@@H](C)C1 ZINC000245422390 402458630 /nfs/dbraw/zinc/45/86/30/402458630.db2.gz IRPPYUQMFCEVRR-XJKSGUPXSA-N 2 2 307.413 2.426 10 0 DEAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2cccc(F)c2)[C@@H](C)C1 ZINC000245422390 402458631 /nfs/dbraw/zinc/45/86/31/402458631.db2.gz IRPPYUQMFCEVRR-XJKSGUPXSA-N 2 2 307.413 2.426 10 0 DEAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2cccc(F)c2)[C@@H](C)C1 ZINC000245422390 402458632 /nfs/dbraw/zinc/45/86/32/402458632.db2.gz IRPPYUQMFCEVRR-XJKSGUPXSA-N 2 2 307.413 2.426 10 0 DEAELP CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000245480619 402464873 /nfs/dbraw/zinc/46/48/73/402464873.db2.gz XLVVJOXSZNCLJO-CABCVRRESA-N 2 2 304.438 2.071 10 0 DEAELP CC(C)N(C)C(=O)[C@@H](C)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000245480619 402464876 /nfs/dbraw/zinc/46/48/76/402464876.db2.gz XLVVJOXSZNCLJO-CABCVRRESA-N 2 2 304.438 2.071 10 0 DEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1nc(CC(C)C)no1 ZINC000178295584 402480942 /nfs/dbraw/zinc/48/09/42/402480942.db2.gz ZYFXKOPBFYHRQL-CQSZACIVSA-N 2 2 303.410 2.438 10 0 DEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1nc(CC(C)C)no1 ZINC000178295584 402480944 /nfs/dbraw/zinc/48/09/44/402480944.db2.gz ZYFXKOPBFYHRQL-CQSZACIVSA-N 2 2 303.410 2.438 10 0 DEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NCc2sccc2C)[C@@H](C)C1 ZINC000247325566 402563644 /nfs/dbraw/zinc/56/36/44/402563644.db2.gz XYRLCNFSKKXHKM-GJZGRUSLSA-N 2 2 323.506 2.335 10 0 DEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NCc2sccc2C)[C@@H](C)C1 ZINC000247325566 402563646 /nfs/dbraw/zinc/56/36/46/402563646.db2.gz XYRLCNFSKKXHKM-GJZGRUSLSA-N 2 2 323.506 2.335 10 0 DEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NCc2sccc2C)[C@@H](C)C1 ZINC000247325566 402563649 /nfs/dbraw/zinc/56/36/49/402563649.db2.gz XYRLCNFSKKXHKM-GJZGRUSLSA-N 2 2 323.506 2.335 10 0 DEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NCc2sccc2C)[C@@H](C)C1 ZINC000247325566 402563651 /nfs/dbraw/zinc/56/36/51/402563651.db2.gz XYRLCNFSKKXHKM-GJZGRUSLSA-N 2 2 323.506 2.335 10 0 DEAELP C[C@@H](C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)CS(C)(=O)=O ZINC000189914499 402567202 /nfs/dbraw/zinc/56/72/02/402567202.db2.gz PYGWVYFCSWMAGP-KBPBESRZSA-N 2 2 321.446 2.204 10 0 DEAELP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+](C)C)C1)c1ccccc1 ZINC000246299612 402524045 /nfs/dbraw/zinc/52/40/45/402524045.db2.gz BWTDFIWERKIESR-JYJNAYRXSA-N 2 2 303.450 2.136 10 0 DEAELP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+](C)C)C1)c1ccccc1 ZINC000246299612 402524047 /nfs/dbraw/zinc/52/40/47/402524047.db2.gz BWTDFIWERKIESR-JYJNAYRXSA-N 2 2 303.450 2.136 10 0 DEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NCc2cccc(C)c2)[C@@H](C)C1 ZINC000246454761 402532082 /nfs/dbraw/zinc/53/20/82/402532082.db2.gz FOSXTXNCNXASSE-WMZOPIPTSA-N 2 2 317.477 2.273 10 0 DEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NCc2cccc(C)c2)[C@@H](C)C1 ZINC000246454761 402532083 /nfs/dbraw/zinc/53/20/83/402532083.db2.gz FOSXTXNCNXASSE-WMZOPIPTSA-N 2 2 317.477 2.273 10 0 DEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NCc2cccc(C)c2)[C@@H](C)C1 ZINC000246454761 402532086 /nfs/dbraw/zinc/53/20/86/402532086.db2.gz FOSXTXNCNXASSE-WMZOPIPTSA-N 2 2 317.477 2.273 10 0 DEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NCc2cccc(C)c2)[C@@H](C)C1 ZINC000246454761 402532089 /nfs/dbraw/zinc/53/20/89/402532089.db2.gz FOSXTXNCNXASSE-WMZOPIPTSA-N 2 2 317.477 2.273 10 0 DEAELP C[C@H]1CCCN(c2cc(N3CCC[N@@H+](C4CC4)CC3)nc[nH+]2)C1 ZINC000171831407 402626900 /nfs/dbraw/zinc/62/69/00/402626900.db2.gz DUXZTGGONKRTAU-HNNXBMFYSA-N 2 2 315.465 2.387 10 0 DEAELP C[C@H]1CCCN(c2cc(N3CCC[N@H+](C4CC4)CC3)nc[nH+]2)C1 ZINC000171831407 402626903 /nfs/dbraw/zinc/62/69/03/402626903.db2.gz DUXZTGGONKRTAU-HNNXBMFYSA-N 2 2 315.465 2.387 10 0 DEAELP Cc1cccc(N2CCC(Nc3[nH+]cnc4c3cnn4C)CC2)[nH+]1 ZINC000172329594 402650157 /nfs/dbraw/zinc/65/01/57/402650157.db2.gz IEBLBVARCFWRKU-UHFFFAOYSA-N 2 2 323.404 2.148 10 0 DEAELP CC(C)[C@@H](C)CNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000172383904 402653393 /nfs/dbraw/zinc/65/33/93/402653393.db2.gz ZWQVYHBNWCMGQJ-HNNXBMFYSA-N 2 2 324.513 2.136 10 0 DEAELP C[NH+]1CCC(CNC(=O)c2cccs2)([NH+]2CCCCC2)CC1 ZINC000172752686 402673377 /nfs/dbraw/zinc/67/33/77/402673377.db2.gz HNKQNRUZAJASST-UHFFFAOYSA-N 2 2 321.490 2.428 10 0 DEAELP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263304278 402756288 /nfs/dbraw/zinc/75/62/88/402756288.db2.gz XOWDTJPYYSUREB-STQMWFEESA-N 2 2 317.424 2.000 10 0 DEAELP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263304278 402756290 /nfs/dbraw/zinc/75/62/90/402756290.db2.gz XOWDTJPYYSUREB-STQMWFEESA-N 2 2 317.424 2.000 10 0 DEAELP CO[C@H](C)c1noc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)n1 ZINC000175096960 402778519 /nfs/dbraw/zinc/77/85/19/402778519.db2.gz ZCHRWKMFSNODEL-CYBMUJFWSA-N 2 2 308.426 2.085 10 0 DEAELP O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000195058379 402829898 /nfs/dbraw/zinc/82/98/98/402829898.db2.gz PKTLJNLXFKZTEZ-KRWDZBQOSA-N 2 2 310.401 2.183 10 0 DEAELP O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000195058379 402829899 /nfs/dbraw/zinc/82/98/99/402829899.db2.gz PKTLJNLXFKZTEZ-KRWDZBQOSA-N 2 2 310.401 2.183 10 0 DEAELP CC(C)CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515890 402848916 /nfs/dbraw/zinc/84/89/16/402848916.db2.gz AAUOTJHZEUEAMH-JKSUJKDBSA-N 2 2 318.465 2.366 10 0 DEAELP CC(C)CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515890 402848918 /nfs/dbraw/zinc/84/89/18/402848918.db2.gz AAUOTJHZEUEAMH-JKSUJKDBSA-N 2 2 318.465 2.366 10 0 DEAELP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000333191675 403690184 /nfs/dbraw/zinc/69/01/84/403690184.db2.gz AAWHGDLWIMJTLX-ZNMIVQPWSA-N 2 2 319.453 2.138 10 0 DEAELP CCO[C@@H]1C[C@H]([NH2+]CC[N@@H+]2CCC[C@@H](C)C2)C12CCOCC2 ZINC000249052232 286386600 /nfs/dbraw/zinc/38/66/00/286386600.db2.gz WYGIOLCFJLXVCJ-IXDOHACOSA-N 2 2 310.482 2.282 10 0 DEAELP CCO[C@@H]1C[C@H]([NH2+]CC[N@H+]2CCC[C@@H](C)C2)C12CCOCC2 ZINC000249052232 286386601 /nfs/dbraw/zinc/38/66/01/286386601.db2.gz WYGIOLCFJLXVCJ-IXDOHACOSA-N 2 2 310.482 2.282 10 0 DEAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2ccc(CO)o2)C1 ZINC000328646206 404121497 /nfs/dbraw/zinc/12/14/97/404121497.db2.gz SNGDKAOIGPQJKI-INIZCTEOSA-N 2 2 315.417 2.121 10 0 DEAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](Cc2ccc(CO)o2)C1 ZINC000328646206 404121509 /nfs/dbraw/zinc/12/15/09/404121509.db2.gz SNGDKAOIGPQJKI-INIZCTEOSA-N 2 2 315.417 2.121 10 0 DEAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](Cc2ccc(CO)o2)C1 ZINC000328646206 404121517 /nfs/dbraw/zinc/12/15/17/404121517.db2.gz SNGDKAOIGPQJKI-INIZCTEOSA-N 2 2 315.417 2.121 10 0 DEAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3CCCCC3(C)C)C2)CC1 ZINC000366051638 404749024 /nfs/dbraw/zinc/74/90/24/404749024.db2.gz IYSPUJVPAWBEEX-RDJZCZTQSA-N 2 2 321.509 2.488 10 0 DEAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3CCCCC3(C)C)C2)CC1 ZINC000366051638 404749027 /nfs/dbraw/zinc/74/90/27/404749027.db2.gz IYSPUJVPAWBEEX-RDJZCZTQSA-N 2 2 321.509 2.488 10 0 DEAELP CCOC[C@H](O)C[NH2+]C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000379651471 405027405 /nfs/dbraw/zinc/02/74/05/405027405.db2.gz UNVWWDYLQISPCG-QZTJIDSGSA-N 2 2 306.450 2.028 10 0 DEAELP CCOC[C@H](O)C[NH2+]C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000379651471 405027410 /nfs/dbraw/zinc/02/74/10/405027410.db2.gz UNVWWDYLQISPCG-QZTJIDSGSA-N 2 2 306.450 2.028 10 0 DEAELP c1[nH]cc(C2CC[NH+](Cc3ncc(C4OCCO4)s3)CC2)[nH+]1 ZINC000368028757 405218699 /nfs/dbraw/zinc/21/86/99/405218699.db2.gz FZCILDQJKZUUDR-UHFFFAOYSA-N 2 2 320.418 2.291 10 0 DEAELP c1ccc2nc(CC[NH2+][C@@H](C3CC3)[C@@H]3C[NH2+]CCO3)ccc2c1 ZINC000422792508 405682086 /nfs/dbraw/zinc/68/20/86/405682086.db2.gz ZIRYUDVRUIOMPB-OALUTQOASA-N 2 2 311.429 2.134 10 0 DEAELP c1[nH+]c([C@H]2CCC[N@@H+](CCc3cnccn3)C2)n2c1CCCC2 ZINC000639626332 406175702 /nfs/dbraw/zinc/17/57/02/406175702.db2.gz PACIGBCAFRIHMC-HNNXBMFYSA-N 2 2 311.433 2.432 10 0 DEAELP c1[nH+]c([C@H]2CCC[N@H+](CCc3cnccn3)C2)n2c1CCCC2 ZINC000639626332 406175706 /nfs/dbraw/zinc/17/57/06/406175706.db2.gz PACIGBCAFRIHMC-HNNXBMFYSA-N 2 2 311.433 2.432 10 0 DEAELP c1cc2c(cc1[C@H]1CCC[N@H+]1CC13CC(C1)C[NH2+]3)OCCO2 ZINC000634991881 406389070 /nfs/dbraw/zinc/38/90/70/406389070.db2.gz VHIJWKXEPGCXAK-NSWWBONSSA-N 2 2 300.402 2.347 10 0 DEAELP c1cc2c(cc1[C@H]1CCC[N@@H+]1CC13CC(C1)C[NH2+]3)OCCO2 ZINC000634991881 406389074 /nfs/dbraw/zinc/38/90/74/406389074.db2.gz VHIJWKXEPGCXAK-NSWWBONSSA-N 2 2 300.402 2.347 10 0 DEAELP COc1ccc(C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)cc1Br ZINC000635000707 406393578 /nfs/dbraw/zinc/39/35/78/406393578.db2.gz UDQZDKUOMCVWHT-PWSUYJOCSA-N 2 2 313.239 2.484 10 0 DEAELP COc1ccc(C[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)cc1Br ZINC000635000707 406393582 /nfs/dbraw/zinc/39/35/82/406393582.db2.gz UDQZDKUOMCVWHT-PWSUYJOCSA-N 2 2 313.239 2.484 10 0 DEAELP c1nnn(Cc2ccccc2)c1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000490576904 406472399 /nfs/dbraw/zinc/47/23/99/406472399.db2.gz DSJJHOPPHZJKSI-IRXDYDNUSA-N 2 2 311.433 2.043 10 0 DEAELP c1nnn(Cc2ccccc2)c1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000490576904 406472403 /nfs/dbraw/zinc/47/24/03/406472403.db2.gz DSJJHOPPHZJKSI-IRXDYDNUSA-N 2 2 311.433 2.043 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N(C)CC[NH+]1CCCC1)C2 ZINC000526001964 406530591 /nfs/dbraw/zinc/53/05/91/406530591.db2.gz AIUQHGLFUBTYTC-CQSZACIVSA-N 2 2 318.465 2.192 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N(C)CC[NH+]1CCCC1)CC2 ZINC000526001964 406530595 /nfs/dbraw/zinc/53/05/95/406530595.db2.gz AIUQHGLFUBTYTC-CQSZACIVSA-N 2 2 318.465 2.192 10 0 DEAELP c1nnn(Cc2ccccc2)c1C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000569664653 292432328 /nfs/dbraw/zinc/43/23/28/292432328.db2.gz WPNQURRSJBUMIR-UHFFFAOYSA-N 2 2 322.416 2.429 10 0 DEAELP [NH3+]C1CC[NH+]([C@H]2CCN(c3ncc(Cl)cc3Cl)C2)CC1 ZINC000130869131 196117468 /nfs/dbraw/zinc/11/74/68/196117468.db2.gz KPYOAMAVWMZQQK-LBPRGKRZSA-N 2 2 315.248 2.390 10 0 DEAELP C[C@@H](C[NH+]1CCCCC1)Nc1nc(N)[nH+]cc1Br ZINC000131041197 196134809 /nfs/dbraw/zinc/13/48/09/196134809.db2.gz DYIGNFHOXCOHKK-VIFPVBQESA-N 2 2 314.231 2.108 10 0 DEAELP Cc1sc2nc(C[N@H+]3CC[C@H]([C@@H](C)[NH3+])C3)nc(N)c2c1C ZINC000132387509 196252004 /nfs/dbraw/zinc/25/20/04/196252004.db2.gz HUTWBKJRWOLUGW-KOLCDFICSA-N 2 2 305.451 2.059 10 0 DEAELP Cc1sc2nc(C[N@@H+]3CC[C@H]([C@@H](C)[NH3+])C3)nc(N)c2c1C ZINC000132387509 196252006 /nfs/dbraw/zinc/25/20/06/196252006.db2.gz HUTWBKJRWOLUGW-KOLCDFICSA-N 2 2 305.451 2.059 10 0 DEAELP NC(=O)N1CCC([NH2+]C[C@@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000134144260 196365355 /nfs/dbraw/zinc/36/53/55/196365355.db2.gz WECRQMDKWZKODV-AWEZNQCLSA-N 2 2 322.478 2.018 10 0 DEAELP COCC[N@H+](C)CCCNc1cc(N2CCC[C@@H](C)C2)nc[nH+]1 ZINC000189427279 225050858 /nfs/dbraw/zinc/05/08/58/225050858.db2.gz ZRMIMIINDYOILW-OAHLLOKOSA-N 2 2 321.469 2.093 10 0 DEAELP COCC[N@@H+](C)CCCNc1cc(N2CCC[C@@H](C)C2)nc[nH+]1 ZINC000189427279 225050862 /nfs/dbraw/zinc/05/08/62/225050862.db2.gz ZRMIMIINDYOILW-OAHLLOKOSA-N 2 2 321.469 2.093 10 0 DEAELP COCC[N@H+](C)CCCNc1cc(N2CCC[C@@H](C)C2)[nH+]cn1 ZINC000189427279 225050865 /nfs/dbraw/zinc/05/08/65/225050865.db2.gz ZRMIMIINDYOILW-OAHLLOKOSA-N 2 2 321.469 2.093 10 0 DEAELP COCC[N@@H+](C)CCCNc1cc(N2CCC[C@@H](C)C2)[nH+]cn1 ZINC000189427279 225050868 /nfs/dbraw/zinc/05/08/68/225050868.db2.gz ZRMIMIINDYOILW-OAHLLOKOSA-N 2 2 321.469 2.093 10 0 DEAELP C[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000180590647 274259578 /nfs/dbraw/zinc/25/95/78/274259578.db2.gz STLHUCOQJXIMOD-UKRRQHHQSA-N 2 2 308.389 2.129 10 0 DEAELP CCN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249898720 279074689 /nfs/dbraw/zinc/07/46/89/279074689.db2.gz SIVTTZCUNSJKGQ-CABCVRRESA-N 2 2 304.438 2.072 10 0 DEAELP CCN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249898720 279074692 /nfs/dbraw/zinc/07/46/92/279074692.db2.gz SIVTTZCUNSJKGQ-CABCVRRESA-N 2 2 304.438 2.072 10 0 DEAELP C[C@H](C[NH2+][C@@H](C)c1ccc([S@](C)=O)cc1)C[NH+]1CCOCC1 ZINC000178523973 341957205 /nfs/dbraw/zinc/95/72/05/341957205.db2.gz ABVZKJYJIHJDRM-GTQRCTGISA-N 2 2 324.490 2.043 10 0 DEAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(OC)cc1OC ZINC000163420652 523834806 /nfs/dbraw/zinc/83/48/06/523834806.db2.gz UJRWBTRGDKFIAA-CABCVRRESA-N 2 2 322.449 2.465 10 0 DEAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(OC)cc1OC ZINC000163420652 523834809 /nfs/dbraw/zinc/83/48/09/523834809.db2.gz UJRWBTRGDKFIAA-CABCVRRESA-N 2 2 322.449 2.465 10 0 DEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000246734816 534914896 /nfs/dbraw/zinc/91/48/96/534914896.db2.gz ASINWUJJVLCFAI-LSDHHAIUSA-N 2 2 321.469 2.067 10 0 DEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000246734816 534914902 /nfs/dbraw/zinc/91/49/02/534914902.db2.gz ASINWUJJVLCFAI-LSDHHAIUSA-N 2 2 321.469 2.067 10 0 DEAELP C[NH2+]C1CC[NH+](Cc2ccc(OC(F)F)c(OC)c2)CC1 ZINC000261698548 536440237 /nfs/dbraw/zinc/44/02/37/536440237.db2.gz NYIWGVKRDRCHFW-UHFFFAOYSA-N 2 2 300.349 2.480 10 0 DEAELP CC(C)Oc1ccc([C@@H](CNC2=[NH+]CCCN2)[NH+](C)C)cc1 ZINC000262319208 535018885 /nfs/dbraw/zinc/01/88/85/535018885.db2.gz QLVKMOIWZXZTQL-MRXNPFEDSA-N 2 2 304.438 2.015 10 0 DEAELP CC1(C)C[N@H+](CC(=O)NCc2ccc(Cl)cc2)CC[C@H]1[NH3+] ZINC000261666627 535352718 /nfs/dbraw/zinc/35/27/18/535352718.db2.gz KZYYASYVLSMMKY-CQSZACIVSA-N 2 2 309.841 2.015 10 0 DEAELP CC1(C)C[N@@H+](CC(=O)NCc2ccc(Cl)cc2)CC[C@H]1[NH3+] ZINC000261666627 535352719 /nfs/dbraw/zinc/35/27/19/535352719.db2.gz KZYYASYVLSMMKY-CQSZACIVSA-N 2 2 309.841 2.015 10 0 DEAELP CC[N@@H+]1CC[C@H]([NH2+]Cc2cn(C)nc2C(F)(F)F)[C@@H](C)C1 ZINC000246376014 535769291 /nfs/dbraw/zinc/76/92/91/535769291.db2.gz JQYRYQTWYAMMRG-JQWIXIFHSA-N 2 2 304.360 2.259 10 0 DEAELP CC[N@H+]1CC[C@H]([NH2+]Cc2cn(C)nc2C(F)(F)F)[C@@H](C)C1 ZINC000246376014 535769292 /nfs/dbraw/zinc/76/92/92/535769292.db2.gz JQYRYQTWYAMMRG-JQWIXIFHSA-N 2 2 304.360 2.259 10 0 DEAELP O=C(CCCC[NH+]1CCCC1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000729350652 640490798 /nfs/dbraw/zinc/49/07/98/640490798.db2.gz GGOOBGWPUXZBPE-UHFFFAOYSA-N 2 2 304.438 2.382 10 0 DEAELP C[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3cncs3)C2)ccn1 ZINC000886068856 691997013 /nfs/dbraw/zinc/99/70/13/691997013.db2.gz YNIKTSWOPDTHRZ-HNNXBMFYSA-N 2 2 318.446 2.253 10 0 DEAELP C[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3cncs3)C2)ccn1 ZINC000886068856 691997014 /nfs/dbraw/zinc/99/70/14/691997014.db2.gz YNIKTSWOPDTHRZ-HNNXBMFYSA-N 2 2 318.446 2.253 10 0 DEAELP CC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000711441365 1087113090 /nfs/dbraw/zinc/11/30/90/1087113090.db2.gz VZHNSWCSHMPUSW-ZNMIVQPWSA-N 2 2 311.470 2.364 10 0 DEAELP CC[N@H+]1CCC[C@H]1C[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000711441365 1087113091 /nfs/dbraw/zinc/11/30/91/1087113091.db2.gz VZHNSWCSHMPUSW-ZNMIVQPWSA-N 2 2 311.470 2.364 10 0 DEAELP [NH3+]C[C@@H]([NH2+]CC1CC1)c1cc2c(c(Br)c1)OCO2 ZINC000087912275 185237233 /nfs/dbraw/zinc/23/72/33/185237233.db2.gz RUKICFYVFFPHAZ-LLVKDONJSA-N 2 2 313.195 2.177 10 0 DEAELP CC(C)(C)c1ccc2c(c1)CCN2C(=O)C[NH+]1CCC([NH3+])CC1 ZINC000097019812 185398185 /nfs/dbraw/zinc/39/81/85/185398185.db2.gz MZPKIUYEOJKAHN-UHFFFAOYSA-N 2 2 315.461 2.296 10 0 DEAELP C[C@@H]([NH2+]CCn1cc[nH+]c1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000279679755 215056298 /nfs/dbraw/zinc/05/62/98/215056298.db2.gz GXSDHHHSSJHDDB-ZIAGYGMSSA-N 2 2 308.426 2.118 10 0 DEAELP CN(C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)C1CCC1 ZINC000080493309 192162192 /nfs/dbraw/zinc/16/21/92/192162192.db2.gz NHIZMURHIAUKQJ-UHFFFAOYSA-N 2 2 322.497 2.131 10 0 DEAELP COc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)cc1OC ZINC000173345829 186178843 /nfs/dbraw/zinc/17/88/43/186178843.db2.gz UGCBUXUDWCQYJT-GDBMZVCRSA-N 2 2 322.449 2.201 10 0 DEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NCc2ccccc2C)[C@H](C)C1 ZINC000174779821 198384671 /nfs/dbraw/zinc/38/46/71/198384671.db2.gz XFPRNKMACKXLQG-AEFFLSMTSA-N 2 2 317.477 2.273 10 0 DEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NCc2ccccc2C)[C@H](C)C1 ZINC000174779821 198384673 /nfs/dbraw/zinc/38/46/73/198384673.db2.gz XFPRNKMACKXLQG-AEFFLSMTSA-N 2 2 317.477 2.273 10 0 DEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NCc2ccccc2C)[C@H](C)C1 ZINC000174779821 198384675 /nfs/dbraw/zinc/38/46/75/198384675.db2.gz XFPRNKMACKXLQG-AEFFLSMTSA-N 2 2 317.477 2.273 10 0 DEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NCc2ccccc2C)[C@H](C)C1 ZINC000174779821 198384677 /nfs/dbraw/zinc/38/46/77/198384677.db2.gz XFPRNKMACKXLQG-AEFFLSMTSA-N 2 2 317.477 2.273 10 0 DEAELP CC(C)[C@H](C)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000073441127 191317310 /nfs/dbraw/zinc/31/73/10/191317310.db2.gz JZAHTAPZHIYOEE-INIZCTEOSA-N 2 2 324.513 2.280 10 0 DEAELP CCOCC[N@@H+]1CCN(Cc2cn3cc(C)ccc3[nH+]2)C[C@H]1C ZINC000246106888 356312108 /nfs/dbraw/zinc/31/21/08/356312108.db2.gz JEPUPAMFCAKMAZ-MRXNPFEDSA-N 2 2 316.449 2.185 10 0 DEAELP CCOCC[N@H+]1CCN(Cc2cn3cc(C)ccc3[nH+]2)C[C@H]1C ZINC000246106888 356312113 /nfs/dbraw/zinc/31/21/13/356312113.db2.gz JEPUPAMFCAKMAZ-MRXNPFEDSA-N 2 2 316.449 2.185 10 0 DEAELP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400355772 283156195 /nfs/dbraw/zinc/15/61/95/283156195.db2.gz BCUFFYUZOLQBMU-KKUMJFAQSA-N 2 2 311.470 2.316 10 0 DEAELP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400355772 283156200 /nfs/dbraw/zinc/15/62/00/283156200.db2.gz BCUFFYUZOLQBMU-KKUMJFAQSA-N 2 2 311.470 2.316 10 0 DEAELP CCCC(=O)N[C@H]1CCC[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000179932195 199096511 /nfs/dbraw/zinc/09/65/11/199096511.db2.gz NNSRHKKMOZGPTH-AWEZNQCLSA-N 2 2 300.406 2.215 10 0 DEAELP CCCC(=O)N[C@H]1CCC[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000179932195 199096512 /nfs/dbraw/zinc/09/65/12/199096512.db2.gz NNSRHKKMOZGPTH-AWEZNQCLSA-N 2 2 300.406 2.215 10 0 DEAELP O[C@@H](C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)CC(F)(F)F ZINC000189366868 200389052 /nfs/dbraw/zinc/38/90/52/200389052.db2.gz ATRQTRLDHZSMAM-NWDGAFQWSA-N 2 2 303.328 2.129 10 0 DEAELP O[C@@H](C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)CC(F)(F)F ZINC000189366868 200389053 /nfs/dbraw/zinc/38/90/53/200389053.db2.gz ATRQTRLDHZSMAM-NWDGAFQWSA-N 2 2 303.328 2.129 10 0 DEAELP O=C(NCCC[NH+]1CCCCC1)Nc1ccc2[nH+]ccn2c1 ZINC000606583887 361023515 /nfs/dbraw/zinc/02/35/15/361023515.db2.gz RNJMQOHBKWZTMN-UHFFFAOYSA-N 2 2 301.394 2.332 10 0 DEAELP CC[NH+](CC)CC1CCN(c2cc(-n3cc[nH+]c3)ncn2)CC1 ZINC000607143497 361070593 /nfs/dbraw/zinc/07/05/93/361070593.db2.gz RBKGRRHPTMLGNZ-UHFFFAOYSA-N 2 2 314.437 2.221 10 0 DEAELP C[N@H+](CC1CC(O)C1)[C@@H](C[NH3+])c1ccc(Br)s1 ZINC000091451484 193058704 /nfs/dbraw/zinc/05/87/04/193058704.db2.gz QHVNYXLZBUIKCH-RTBKNWGFSA-N 2 2 319.268 2.213 10 0 DEAELP C[N@@H+](CC1CC(O)C1)[C@@H](C[NH3+])c1ccc(Br)s1 ZINC000091451484 193058706 /nfs/dbraw/zinc/05/87/06/193058706.db2.gz QHVNYXLZBUIKCH-RTBKNWGFSA-N 2 2 319.268 2.213 10 0 DEAELP C1=CC[NH+]([C@H]2CCN(c3nc4ccccc4n4c[nH+]cc34)C2)C1 ZINC000623997454 365248794 /nfs/dbraw/zinc/24/87/94/365248794.db2.gz NBNOWUYOKNWVAV-AWEZNQCLSA-N 2 2 305.385 2.333 10 0 DEAELP CC[NH2+][C@H](CCCS(=O)(=O)CC)C1([NH+](C)C)CCCCC1 ZINC000091647721 193084793 /nfs/dbraw/zinc/08/47/93/193084793.db2.gz UAOYBHVYOYVKPM-OAHLLOKOSA-N 2 2 318.527 2.444 10 0 DEAELP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]C[C@H]1COCCO1 ZINC000450750699 242173123 /nfs/dbraw/zinc/17/31/23/242173123.db2.gz BRXGNDXCAOUBBF-ZWKOTPCHSA-N 2 2 306.450 2.148 10 0 DEAELP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C[C@H]1COCCO1 ZINC000450750699 242173138 /nfs/dbraw/zinc/17/31/38/242173138.db2.gz BRXGNDXCAOUBBF-ZWKOTPCHSA-N 2 2 306.450 2.148 10 0 DEAELP COc1c(C)c[nH+]c(CN(C)C(=O)[C@H]2CC[NH2+][C@@H](C)C2)c1C ZINC000262329980 203263975 /nfs/dbraw/zinc/26/39/75/203263975.db2.gz DSYCMBRXGYJAKW-JSGCOSHPSA-N 2 2 305.422 2.054 10 0 DEAELP C[NH2+][C@H](c1ccc(Cl)c(Cl)c1)[C@@H]1C[N@H+](C)CCN1C ZINC000093894636 193325122 /nfs/dbraw/zinc/32/51/22/193325122.db2.gz ZSMHPYVTHVDKNE-UONOGXRCSA-N 2 2 302.249 2.500 10 0 DEAELP C[NH2+][C@H](c1ccc(Cl)c(Cl)c1)[C@@H]1C[N@@H+](C)CCN1C ZINC000093894636 193325123 /nfs/dbraw/zinc/32/51/23/193325123.db2.gz ZSMHPYVTHVDKNE-UONOGXRCSA-N 2 2 302.249 2.500 10 0 DEAELP CCC(C)(C)[C@@H]1CC[C@@H](C[NH3+])[C@H]([N@H+](C)CCS(C)(=O)=O)C1 ZINC000094297593 193357209 /nfs/dbraw/zinc/35/72/09/193357209.db2.gz USNGDTZWJWWHOR-RRFJBIMHSA-N 2 2 318.527 2.143 10 0 DEAELP CCC(C)(C)[C@@H]1CC[C@@H](C[NH3+])[C@H]([N@@H+](C)CCS(C)(=O)=O)C1 ZINC000094297593 193357211 /nfs/dbraw/zinc/35/72/11/193357211.db2.gz USNGDTZWJWWHOR-RRFJBIMHSA-N 2 2 318.527 2.143 10 0 DEAELP CCC[NH2+][C@H](Cc1cccc(Cl)c1)[C@@H]1C[NH+]2CCN1CC2 ZINC000094510981 193375087 /nfs/dbraw/zinc/37/50/87/193375087.db2.gz LWKDGWONISUMTP-SJORKVTESA-N 2 2 307.869 2.251 10 0 DEAELP C[NH2+][C@@H](Cc1c(Cl)cccc1Cl)[C@H]1C[NH+]2CCN1CC2 ZINC000094509039 193376081 /nfs/dbraw/zinc/37/60/81/193376081.db2.gz XFTYKRDXUVTDOK-LSDHHAIUSA-N 2 2 314.260 2.124 10 0 DEAELP CCC[NH2+][C@H](Cc1ccc(Cl)cc1)[C@H]1C[NH+]2CCN1CC2 ZINC000094510755 193376124 /nfs/dbraw/zinc/37/61/24/193376124.db2.gz XNNRQDIKZGKRFU-IAGOWNOFSA-N 2 2 307.869 2.251 10 0 DEAELP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530219030 284376283 /nfs/dbraw/zinc/37/62/83/284376283.db2.gz YPIWWLNTERGWRT-KBAYOESNSA-N 3 2 313.445 2.117 10 0 DEAELP COc1ccccc1C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000019770610 182145335 /nfs/dbraw/zinc/14/53/35/182145335.db2.gz HTCZRIYCXBQJQA-GOSISDBHSA-N 2 2 317.477 2.297 10 0 DEAELP COc1ccccc1C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000019770610 182145337 /nfs/dbraw/zinc/14/53/37/182145337.db2.gz HTCZRIYCXBQJQA-GOSISDBHSA-N 2 2 317.477 2.297 10 0 DEAELP COCCC[N@H+](CCOC)[C@H](c1ccc(C)s1)[C@@H](C)[NH3+] ZINC000043242698 183346509 /nfs/dbraw/zinc/34/65/09/183346509.db2.gz ILLOVFKKIJWOPL-HIFRSBDPSA-N 2 2 300.468 2.430 10 0 DEAELP COCCC[N@@H+](CCOC)[C@H](c1ccc(C)s1)[C@@H](C)[NH3+] ZINC000043242698 183346512 /nfs/dbraw/zinc/34/65/12/183346512.db2.gz ILLOVFKKIJWOPL-HIFRSBDPSA-N 2 2 300.468 2.430 10 0 DEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2)C1 ZINC000105897082 194163186 /nfs/dbraw/zinc/16/31/86/194163186.db2.gz AKCFMJQDFGFBOE-INIZCTEOSA-N 2 2 312.417 2.382 10 0 DEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ccc(C(N)=O)cc2)C1 ZINC000105897082 194163188 /nfs/dbraw/zinc/16/31/88/194163188.db2.gz AKCFMJQDFGFBOE-INIZCTEOSA-N 2 2 312.417 2.382 10 0 DEAELP C[C@H](C[NH3+])N1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000109459337 194265781 /nfs/dbraw/zinc/26/57/81/194265781.db2.gz STXHKJYMDLDCAA-GFCCVEGCSA-N 2 2 301.356 2.170 10 0 DEAELP CNc1nc(N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c(Br)c[nH+]1 ZINC000159241361 197339255 /nfs/dbraw/zinc/33/92/55/197339255.db2.gz GBOLHPNTJFQYEN-IUCAKERBSA-N 2 2 314.231 2.175 10 0 DEAELP CNc1nc(N[C@H]2CC[N@H+](C)[C@@H](C)C2)c(Br)c[nH+]1 ZINC000159241361 197339253 /nfs/dbraw/zinc/33/92/53/197339253.db2.gz GBOLHPNTJFQYEN-IUCAKERBSA-N 2 2 314.231 2.175 10 0 DEAELP CCCCCNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000158176878 197250024 /nfs/dbraw/zinc/25/00/24/197250024.db2.gz OLNXFEDCCQJQBV-SJPCQFCGSA-N 2 2 322.497 2.129 10 0 DEAELP CCCCCNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000158176878 197250025 /nfs/dbraw/zinc/25/00/25/197250025.db2.gz OLNXFEDCCQJQBV-SJPCQFCGSA-N 2 2 322.497 2.129 10 0 DEAELP COCC[NH2+][C@]1(c2nc(C)c(C)s2)CC[N@@H+]2CCC[C@@H]2C1 ZINC000156691335 197134293 /nfs/dbraw/zinc/13/42/93/197134293.db2.gz AMRMVMICDVXRDM-GDBMZVCRSA-N 2 2 309.479 2.449 10 0 DEAELP COCC[NH2+][C@]1(c2nc(C)c(C)s2)CC[N@H+]2CCC[C@@H]2C1 ZINC000156691335 197134294 /nfs/dbraw/zinc/13/42/94/197134294.db2.gz AMRMVMICDVXRDM-GDBMZVCRSA-N 2 2 309.479 2.449 10 0 DEAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCOc1ccc(Br)cc1 ZINC000358031657 133116410 /nfs/dbraw/zinc/11/64/10/133116410.db2.gz YUARFLIERQFMHM-BXUZGUMPSA-N 2 2 313.239 2.368 10 0 DEAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCOc1ccc(Br)cc1 ZINC000358031657 133116411 /nfs/dbraw/zinc/11/64/11/133116411.db2.gz YUARFLIERQFMHM-BXUZGUMPSA-N 2 2 313.239 2.368 10 0 DEAELP C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193629612 145087835 /nfs/dbraw/zinc/08/78/35/145087835.db2.gz NTRHOOXXAKYBQM-RWMBFGLXSA-N 2 2 307.825 2.160 10 0 DEAELP C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193629612 145087836 /nfs/dbraw/zinc/08/78/36/145087836.db2.gz NTRHOOXXAKYBQM-RWMBFGLXSA-N 2 2 307.825 2.160 10 0 DEAELP C[C@@H](C(=O)Nc1cccc(Cl)c1)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193629612 145087837 /nfs/dbraw/zinc/08/78/37/145087837.db2.gz NTRHOOXXAKYBQM-RWMBFGLXSA-N 2 2 307.825 2.160 10 0 DEAELP C[C@@H](C(=O)Nc1cccc(Cl)c1)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193629612 145087839 /nfs/dbraw/zinc/08/78/39/145087839.db2.gz NTRHOOXXAKYBQM-RWMBFGLXSA-N 2 2 307.825 2.160 10 0 DEAELP Cc1ccc2c(C[NH+]3C[C@H]4C[N@H+](C)C[C@H]4C3)cc(=O)oc2c1C ZINC000193629914 145087946 /nfs/dbraw/zinc/08/79/46/145087946.db2.gz HNAIKZJLPDNYSO-IYBDPMFKSA-N 2 2 312.413 2.403 10 0 DEAELP Cc1ccc2c(C[NH+]3C[C@H]4C[N@@H+](C)C[C@H]4C3)cc(=O)oc2c1C ZINC000193629914 145087948 /nfs/dbraw/zinc/08/79/48/145087948.db2.gz HNAIKZJLPDNYSO-IYBDPMFKSA-N 2 2 312.413 2.403 10 0 DEAELP Cc1ccc2c(C[N@@H+]3C[C@H]4C[NH+](C)C[C@H]4C3)cc(=O)oc2c1C ZINC000193629914 145087950 /nfs/dbraw/zinc/08/79/50/145087950.db2.gz HNAIKZJLPDNYSO-IYBDPMFKSA-N 2 2 312.413 2.403 10 0 DEAELP Cc1ccc2c(C[N@H+]3C[C@H]4C[NH+](C)C[C@H]4C3)cc(=O)oc2c1C ZINC000193629914 145087952 /nfs/dbraw/zinc/08/79/52/145087952.db2.gz HNAIKZJLPDNYSO-IYBDPMFKSA-N 2 2 312.413 2.403 10 0 DEAELP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)Nc3ccc(Cl)cn3)CC[C@H]21 ZINC000246843399 145116587 /nfs/dbraw/zinc/11/65/87/145116587.db2.gz KMKMQMAHEOPZLH-TZMCWYRMSA-N 2 2 322.840 2.090 10 0 DEAELP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)Nc3ccc(Cl)cn3)CC[C@H]21 ZINC000246843399 145116588 /nfs/dbraw/zinc/11/65/88/145116588.db2.gz KMKMQMAHEOPZLH-TZMCWYRMSA-N 2 2 322.840 2.090 10 0 DEAELP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)Nc3ccc(Cl)cn3)CC[C@H]21 ZINC000246843399 145116589 /nfs/dbraw/zinc/11/65/89/145116589.db2.gz KMKMQMAHEOPZLH-TZMCWYRMSA-N 2 2 322.840 2.090 10 0 DEAELP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)Nc3ccc(Cl)cn3)CC[C@H]21 ZINC000246843399 145116590 /nfs/dbraw/zinc/11/65/90/145116590.db2.gz KMKMQMAHEOPZLH-TZMCWYRMSA-N 2 2 322.840 2.090 10 0 DEAELP c1ccc(NC[C@@H]2CC[N@@H+](CCO[C@H]3CCCCO3)C2)[nH+]c1 ZINC000248538972 145157886 /nfs/dbraw/zinc/15/78/86/145157886.db2.gz ASCRIVCOWMTXMB-RDJZCZTQSA-N 2 2 305.422 2.359 10 0 DEAELP c1ccc(NC[C@@H]2CC[N@H+](CCO[C@H]3CCCCO3)C2)[nH+]c1 ZINC000248538972 145157888 /nfs/dbraw/zinc/15/78/88/145157888.db2.gz ASCRIVCOWMTXMB-RDJZCZTQSA-N 2 2 305.422 2.359 10 0 DEAELP O[C@H](C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)CC(F)(F)F ZINC000248865257 145170762 /nfs/dbraw/zinc/17/07/62/145170762.db2.gz ATRQTRLDHZSMAM-NEPJUHHUSA-N 2 2 303.328 2.129 10 0 DEAELP O[C@H](C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)CC(F)(F)F ZINC000248865257 145170764 /nfs/dbraw/zinc/17/07/64/145170764.db2.gz ATRQTRLDHZSMAM-NEPJUHHUSA-N 2 2 303.328 2.129 10 0 DEAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2nccc(OC)c2OC)[C@@H](C)C1 ZINC000249083587 145178385 /nfs/dbraw/zinc/17/83/85/145178385.db2.gz MXRNHWMGTMXNID-ZFWWWQNUSA-N 2 2 307.438 2.261 10 0 DEAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2nccc(OC)c2OC)[C@@H](C)C1 ZINC000249083587 145178386 /nfs/dbraw/zinc/17/83/86/145178386.db2.gz MXRNHWMGTMXNID-ZFWWWQNUSA-N 2 2 307.438 2.261 10 0 DEAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2nccc(OC)c2OC)[C@@H](C)C1 ZINC000249083587 145178387 /nfs/dbraw/zinc/17/83/87/145178387.db2.gz MXRNHWMGTMXNID-ZFWWWQNUSA-N 2 2 307.438 2.261 10 0 DEAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2nccc(OC)c2OC)[C@@H](C)C1 ZINC000249083587 145178388 /nfs/dbraw/zinc/17/83/88/145178388.db2.gz MXRNHWMGTMXNID-ZFWWWQNUSA-N 2 2 307.438 2.261 10 0 DEAELP CC[N@@H+]1CC[C@H](N(C)Cc2[nH+]ccc(OC)c2OC)[C@@H](C)C1 ZINC000249083587 145178389 /nfs/dbraw/zinc/17/83/89/145178389.db2.gz MXRNHWMGTMXNID-ZFWWWQNUSA-N 2 2 307.438 2.261 10 0 DEAELP CC[N@H+]1CC[C@H](N(C)Cc2[nH+]ccc(OC)c2OC)[C@@H](C)C1 ZINC000249083587 145178390 /nfs/dbraw/zinc/17/83/90/145178390.db2.gz MXRNHWMGTMXNID-ZFWWWQNUSA-N 2 2 307.438 2.261 10 0 DEAELP Cc1ccccc1CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261616635 145211235 /nfs/dbraw/zinc/21/12/35/145211235.db2.gz CSEJTROIMATASN-WBVHZDCISA-N 2 2 317.477 2.101 10 0 DEAELP Cc1ccccc1CCNC(=O)[C@@H](C)[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261616635 145211237 /nfs/dbraw/zinc/21/12/37/145211237.db2.gz CSEJTROIMATASN-WBVHZDCISA-N 2 2 317.477 2.101 10 0 DEAELP C[C@@H](C(=O)N1CCc2sccc2C1)[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261622854 145211275 /nfs/dbraw/zinc/21/12/75/145211275.db2.gz DPPDWMNUNYILBJ-WFASDCNBSA-N 2 2 321.490 2.081 10 0 DEAELP C[C@@H](C(=O)N1CCc2sccc2C1)[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261622854 145211277 /nfs/dbraw/zinc/21/12/77/145211277.db2.gz DPPDWMNUNYILBJ-WFASDCNBSA-N 2 2 321.490 2.081 10 0 DEAELP CCOC(=O)c1csc(C2CC[NH+](CC(C)(C)[NH3+])CC2)n1 ZINC000261742710 145222072 /nfs/dbraw/zinc/22/20/72/145222072.db2.gz LDDRECVEGMNASY-UHFFFAOYSA-N 2 2 311.451 2.237 10 0 DEAELP c1cn(-c2ccc(CN3CC[NH2+]C[C@@H]3c3cccnc3)cc2)c[nH+]1 ZINC000261802066 145228338 /nfs/dbraw/zinc/22/83/38/145228338.db2.gz QYQSMTWTAMKBQF-LJQANCHMSA-N 2 2 319.412 2.414 10 0 DEAELP CC1CCC(N(C)C(=O)C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000261822091 145230372 /nfs/dbraw/zinc/23/03/72/145230372.db2.gz AWBHNYVMOMYFPY-HXGYVLDSSA-N 2 2 307.482 2.238 10 0 DEAELP CC1CCC(N(C)C(=O)C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000261822091 145230374 /nfs/dbraw/zinc/23/03/74/145230374.db2.gz AWBHNYVMOMYFPY-HXGYVLDSSA-N 2 2 307.482 2.238 10 0 DEAELP CC1(C)C[N@H+](CC(=O)N(Cc2ccccc2)C2CC2)CC[C@H]1[NH3+] ZINC000261845409 145233187 /nfs/dbraw/zinc/23/31/87/145233187.db2.gz QYHNOKCLBLKFSP-QGZVFWFLSA-N 2 2 315.461 2.237 10 0 DEAELP CC1(C)C[N@@H+](CC(=O)N(Cc2ccccc2)C2CC2)CC[C@H]1[NH3+] ZINC000261845409 145233189 /nfs/dbraw/zinc/23/31/89/145233189.db2.gz QYHNOKCLBLKFSP-QGZVFWFLSA-N 2 2 315.461 2.237 10 0 DEAELP CCc1ccc(C(=O)N2CC[NH+](C[C@@]3(C)CC[NH2+]C3)CC2)cc1 ZINC000261874033 145236026 /nfs/dbraw/zinc/23/60/26/145236026.db2.gz PKMDIDVQFYDBJU-IBGZPJMESA-N 2 2 315.461 2.006 10 0 DEAELP Cc1ccccc1C[C@H](C)NC(=O)C[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261875542 145236236 /nfs/dbraw/zinc/23/62/36/145236236.db2.gz UBTUEXJYGQYXTF-DOTOQJQBSA-N 2 2 317.477 2.101 10 0 DEAELP Cc1ccccc1C[C@H](C)NC(=O)C[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261875542 145236238 /nfs/dbraw/zinc/23/62/38/145236238.db2.gz UBTUEXJYGQYXTF-DOTOQJQBSA-N 2 2 317.477 2.101 10 0 DEAELP [NH3+]Cc1nc(C[N@@H+]2CC[C@H](CSc3ccccc3)C2)no1 ZINC000262228357 145270788 /nfs/dbraw/zinc/27/07/88/145270788.db2.gz NMKMAIILFPJDRD-LBPRGKRZSA-N 2 2 304.419 2.143 10 0 DEAELP [NH3+]Cc1nc(C[N@H+]2CC[C@H](CSc3ccccc3)C2)no1 ZINC000262228357 145270791 /nfs/dbraw/zinc/27/07/91/145270791.db2.gz NMKMAIILFPJDRD-LBPRGKRZSA-N 2 2 304.419 2.143 10 0 DEAELP [NH3+]Cc1nc(C[N@@H+]2CCC[C@H]2Cc2ccccc2Cl)no1 ZINC000262300748 145275352 /nfs/dbraw/zinc/27/53/52/145275352.db2.gz XJUFULBWCKWIIU-LBPRGKRZSA-N 2 2 306.797 2.389 10 0 DEAELP [NH3+]Cc1nc(C[N@H+]2CCC[C@H]2Cc2ccccc2Cl)no1 ZINC000262300748 145275354 /nfs/dbraw/zinc/27/53/54/145275354.db2.gz XJUFULBWCKWIIU-LBPRGKRZSA-N 2 2 306.797 2.389 10 0 DEAELP CC1(C)C[N@H+](CC(=O)N2CCCc3ccccc32)CC[C@@H]1[NH3+] ZINC000262413941 145282364 /nfs/dbraw/zinc/28/23/64/145282364.db2.gz DJJOOXKGQUVYDS-INIZCTEOSA-N 2 2 301.434 2.025 10 0 DEAELP CC1(C)C[N@@H+](CC(=O)N2CCCc3ccccc32)CC[C@@H]1[NH3+] ZINC000262413941 145282366 /nfs/dbraw/zinc/28/23/66/145282366.db2.gz DJJOOXKGQUVYDS-INIZCTEOSA-N 2 2 301.434 2.025 10 0 DEAELP CCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000370306281 148004734 /nfs/dbraw/zinc/00/47/34/148004734.db2.gz UUWTYWHHSVCRTN-HUUCEWRRSA-N 2 2 318.465 2.314 10 0 DEAELP CCCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000370306281 148004735 /nfs/dbraw/zinc/00/47/35/148004735.db2.gz UUWTYWHHSVCRTN-HUUCEWRRSA-N 2 2 318.465 2.314 10 0 DEAELP c1cn(-c2ccc(C[NH2+][C@H]3CCO[C@]4(CCOC4)C3)cc2)c[nH+]1 ZINC000371402022 148098760 /nfs/dbraw/zinc/09/87/60/148098760.db2.gz UGXZZDTXMUCFDO-FUHWJXTLSA-N 2 2 313.401 2.300 10 0 DEAELP CCCCN(C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000074767418 401744194 /nfs/dbraw/zinc/74/41/94/401744194.db2.gz NEJNZRRVCJMKPA-UHFFFAOYSA-N 2 2 324.513 2.378 10 0 DEAELP C[C@H](C(=O)N[C@@H](C)c1ccccc1)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114198230 401794059 /nfs/dbraw/zinc/79/40/59/401794059.db2.gz BWTDFIWERKIESR-ARFHVFGLSA-N 2 2 303.450 2.136 10 0 DEAELP C[C@H](C(=O)N[C@@H](C)c1ccccc1)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114198230 401794063 /nfs/dbraw/zinc/79/40/63/401794063.db2.gz BWTDFIWERKIESR-ARFHVFGLSA-N 2 2 303.450 2.136 10 0 DEAELP CCC[C@H](C(=O)NCc1cc[nH+]c(N2CCCCC2)c1)[NH+](C)C ZINC000136515490 401969067 /nfs/dbraw/zinc/96/90/67/401969067.db2.gz VNOWYOCVIRAYCZ-MRXNPFEDSA-N 2 2 318.465 2.418 10 0 DEAELP C[C@H](C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)N1CCOCC1 ZINC000123435475 402127598 /nfs/dbraw/zinc/12/75/98/402127598.db2.gz CEDPVUWTAZYXGP-CVEARBPZSA-N 2 2 314.433 2.244 10 0 DEAELP C[C@H]1C[C@@H]([NH+](C)CC(=O)NCCC2=CCCCC2)CC[N@@H+]1C ZINC000123339399 402122972 /nfs/dbraw/zinc/12/29/72/402122972.db2.gz WKEDNVSNIGFAAN-RDJZCZTQSA-N 2 2 307.482 2.408 10 0 DEAELP C[C@H]1C[C@@H]([NH+](C)CC(=O)NCCC2=CCCCC2)CC[N@H+]1C ZINC000123339399 402122974 /nfs/dbraw/zinc/12/29/74/402122974.db2.gz WKEDNVSNIGFAAN-RDJZCZTQSA-N 2 2 307.482 2.408 10 0 DEAELP C[C@H]1C[C@@H]([N@H+](C)CC(=O)NCCC2=CCCCC2)CC[NH+]1C ZINC000123339399 402122977 /nfs/dbraw/zinc/12/29/77/402122977.db2.gz WKEDNVSNIGFAAN-RDJZCZTQSA-N 2 2 307.482 2.408 10 0 DEAELP C[C@H]1C[C@@H]([N@@H+](C)CC(=O)NCCC2=CCCCC2)CC[NH+]1C ZINC000123339399 402122980 /nfs/dbraw/zinc/12/29/80/402122980.db2.gz WKEDNVSNIGFAAN-RDJZCZTQSA-N 2 2 307.482 2.408 10 0 DEAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)c2ccccn2)nc[nH+]1 ZINC000177125800 402372435 /nfs/dbraw/zinc/37/24/35/402372435.db2.gz ZFUIQSGNJRGQSW-KGLIPLIRSA-N 2 2 312.421 2.233 10 0 DEAELP CC[C@H]1C[N@H+](CCCCn2cc[nH+]c2C)CCN1CCOC ZINC000161679450 402395741 /nfs/dbraw/zinc/39/57/41/402395741.db2.gz AXIVCCDRQWSKJT-KRWDZBQOSA-N 2 2 308.470 2.014 10 0 DEAELP CC[C@H]1C[N@@H+](CCCCn2cc[nH+]c2C)CCN1CCOC ZINC000161679450 402395742 /nfs/dbraw/zinc/39/57/42/402395742.db2.gz AXIVCCDRQWSKJT-KRWDZBQOSA-N 2 2 308.470 2.014 10 0 DEAELP CC[C@H]1CN(CCCCn2cc[nH+]c2C)CC[N@@H+]1CCOC ZINC000161679450 402395743 /nfs/dbraw/zinc/39/57/43/402395743.db2.gz AXIVCCDRQWSKJT-KRWDZBQOSA-N 2 2 308.470 2.014 10 0 DEAELP CC[C@H]1CN(CCCCn2cc[nH+]c2C)CC[N@H+]1CCOC ZINC000161679450 402395744 /nfs/dbraw/zinc/39/57/44/402395744.db2.gz AXIVCCDRQWSKJT-KRWDZBQOSA-N 2 2 308.470 2.014 10 0 DEAELP O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177799739 402437324 /nfs/dbraw/zinc/43/73/24/402437324.db2.gz COAWLOMJYROXJX-QGZVFWFLSA-N 2 2 321.384 2.374 10 0 DEAELP CC(C)C[C@H](C[NH+](C)C)NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177968572 402447689 /nfs/dbraw/zinc/44/76/89/402447689.db2.gz OGFZBYXJPLJAJC-OAHLLOKOSA-N 2 2 317.437 2.110 10 0 DEAELP COC(=O)c1occc1C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178306828 402482285 /nfs/dbraw/zinc/48/22/85/402482285.db2.gz LUGOTQOBPAXXAG-AWEZNQCLSA-N 2 2 303.362 2.236 10 0 DEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cnn(-c2ccccc2)n1 ZINC000178316327 402484210 /nfs/dbraw/zinc/48/42/10/402484210.db2.gz GILAPBREMZFBJL-GOSISDBHSA-N 2 2 322.416 2.437 10 0 DEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cnn(-c2ccccc2)n1 ZINC000178316327 402484213 /nfs/dbraw/zinc/48/42/13/402484213.db2.gz GILAPBREMZFBJL-GOSISDBHSA-N 2 2 322.416 2.437 10 0 DEAELP O[C@@H](C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)c1ccc(F)cc1F ZINC000246246630 402520037 /nfs/dbraw/zinc/52/00/37/402520037.db2.gz VSHPWPBXUCIEEC-GUYCJALGSA-N 2 2 310.388 2.416 10 0 DEAELP O[C@@H](C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)c1ccc(F)cc1F ZINC000246246630 402520040 /nfs/dbraw/zinc/52/00/40/402520040.db2.gz VSHPWPBXUCIEEC-GUYCJALGSA-N 2 2 310.388 2.416 10 0 DEAELP Cc1cccc(NC[C@@H]2CC[N@@H+](CC(=O)c3cccn3C)C2)[nH+]1 ZINC000171651201 402605897 /nfs/dbraw/zinc/60/58/97/402605897.db2.gz IRTYPRQDGVSCLU-HNNXBMFYSA-N 2 2 312.417 2.345 10 0 DEAELP Cc1cccc(NC[C@@H]2CC[N@H+](CC(=O)c3cccn3C)C2)[nH+]1 ZINC000171651201 402605899 /nfs/dbraw/zinc/60/58/99/402605899.db2.gz IRTYPRQDGVSCLU-HNNXBMFYSA-N 2 2 312.417 2.345 10 0 DEAELP O=C1O[C@H](C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)CC12CCC2 ZINC000192034362 402706674 /nfs/dbraw/zinc/70/66/74/402706674.db2.gz XMHGRHPHDHQXIV-GJZGRUSLSA-N 2 2 315.417 2.301 10 0 DEAELP CN(CC1CC1)C(=O)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361057926 404898460 /nfs/dbraw/zinc/89/84/60/404898460.db2.gz AJTSBEIYWPOUCH-UHFFFAOYSA-N 2 2 318.465 2.244 10 0 DEAELP CC(=O)c1ccccc1OCC[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420388364 405341052 /nfs/dbraw/zinc/34/10/52/405341052.db2.gz WUXFJESYXJCLHZ-SFHVURJKSA-N 2 2 302.418 2.344 10 0 DEAELP CC(=O)c1ccccc1OCC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420388364 405341054 /nfs/dbraw/zinc/34/10/54/405341054.db2.gz WUXFJESYXJCLHZ-SFHVURJKSA-N 2 2 302.418 2.344 10 0 DEAELP CO[C@]1(C[NH2+]C[C@H]2CCCC[N@@H+]2Cc2ccccc2)CCOC1 ZINC000638449387 405476824 /nfs/dbraw/zinc/47/68/24/405476824.db2.gz PBXDMFWYMBURNQ-MOPGFXCFSA-N 2 2 318.461 2.436 10 0 DEAELP CO[C@]1(C[NH2+]C[C@H]2CCCC[N@H+]2Cc2ccccc2)CCOC1 ZINC000638449387 405476830 /nfs/dbraw/zinc/47/68/30/405476830.db2.gz PBXDMFWYMBURNQ-MOPGFXCFSA-N 2 2 318.461 2.436 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1)C2 ZINC000527247602 406603636 /nfs/dbraw/zinc/60/36/36/406603636.db2.gz FUEDHCXPDOYBOD-MCIONIFRSA-N 2 2 318.465 2.237 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1)C2 ZINC000527247602 406603637 /nfs/dbraw/zinc/60/36/37/406603637.db2.gz FUEDHCXPDOYBOD-MCIONIFRSA-N 2 2 318.465 2.237 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1)CC2 ZINC000527247602 406603639 /nfs/dbraw/zinc/60/36/39/406603639.db2.gz FUEDHCXPDOYBOD-MCIONIFRSA-N 2 2 318.465 2.237 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1)CC2 ZINC000527247602 406603642 /nfs/dbraw/zinc/60/36/42/406603642.db2.gz FUEDHCXPDOYBOD-MCIONIFRSA-N 2 2 318.465 2.237 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1)C2 ZINC000527247601 406604415 /nfs/dbraw/zinc/60/44/15/406604415.db2.gz FUEDHCXPDOYBOD-BFHYXJOUSA-N 2 2 318.465 2.237 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC000527247601 406604419 /nfs/dbraw/zinc/60/44/19/406604419.db2.gz FUEDHCXPDOYBOD-BFHYXJOUSA-N 2 2 318.465 2.237 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1)CC2 ZINC000527247601 406604423 /nfs/dbraw/zinc/60/44/23/406604423.db2.gz FUEDHCXPDOYBOD-BFHYXJOUSA-N 2 2 318.465 2.237 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)CC2 ZINC000527247601 406604428 /nfs/dbraw/zinc/60/44/28/406604428.db2.gz FUEDHCXPDOYBOD-BFHYXJOUSA-N 2 2 318.465 2.237 10 0 DEAELP C[N@H+](CC[C@@H]1COCC[NH2+]1)Cc1cc(Br)cs1 ZINC000129418857 196046809 /nfs/dbraw/zinc/04/68/09/196046809.db2.gz SGQDWYJCXAHSLP-LLVKDONJSA-N 2 2 319.268 2.321 10 0 DEAELP C[N@@H+](CC[C@@H]1COCC[NH2+]1)Cc1cc(Br)cs1 ZINC000129418857 196046810 /nfs/dbraw/zinc/04/68/10/196046810.db2.gz SGQDWYJCXAHSLP-LLVKDONJSA-N 2 2 319.268 2.321 10 0 DEAELP [NH3+]CCC[NH2+]Cc1ncc(Br)cc1Br ZINC000129832696 196078931 /nfs/dbraw/zinc/07/89/31/196078931.db2.gz MNBXESHXUVEKSM-UHFFFAOYSA-N 2 2 323.032 2.045 10 0 DEAELP CC(C)C[C@H](C[NH+](C)C)Nc1nc(N)[nH+]cc1Br ZINC000131178372 196147410 /nfs/dbraw/zinc/14/74/10/196147410.db2.gz UXIRWXXJJJDHSD-SECBINFHSA-N 2 2 316.247 2.210 10 0 DEAELP Cn1cc[nH+]c1CN(C(=O)CC1CCC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000262025188 225263958 /nfs/dbraw/zinc/26/39/58/225263958.db2.gz NLGXLCQXFWKHNI-OAHLLOKOSA-N 2 2 316.449 2.081 10 0 DEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NCc2ccccc2F)[C@H](C)C1 ZINC000081096637 267378814 /nfs/dbraw/zinc/37/88/14/267378814.db2.gz NWTUEODVQXLOIN-PBHICJAKSA-N 2 2 321.440 2.104 10 0 DEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NCc2ccccc2F)[C@H](C)C1 ZINC000081096637 267378816 /nfs/dbraw/zinc/37/88/16/267378816.db2.gz NWTUEODVQXLOIN-PBHICJAKSA-N 2 2 321.440 2.104 10 0 DEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NCc2ccccc2F)[C@H](C)C1 ZINC000081096637 267378819 /nfs/dbraw/zinc/37/88/19/267378819.db2.gz NWTUEODVQXLOIN-PBHICJAKSA-N 2 2 321.440 2.104 10 0 DEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NCc2ccccc2F)[C@H](C)C1 ZINC000081096637 267378823 /nfs/dbraw/zinc/37/88/23/267378823.db2.gz NWTUEODVQXLOIN-PBHICJAKSA-N 2 2 321.440 2.104 10 0 DEAELP Cc1cc(CCNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)on1 ZINC000505728201 269312364 /nfs/dbraw/zinc/31/23/64/269312364.db2.gz YMNKEZXRRIOKKF-UHFFFAOYSA-N 2 2 321.344 2.162 10 0 DEAELP CC[N@@H+]1CCC[C@H]1CNC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000246418240 276184931 /nfs/dbraw/zinc/18/49/31/276184931.db2.gz SIWJAESCNSNILD-KBPBESRZSA-N 2 2 305.426 2.131 10 0 DEAELP CC[N@H+]1CCC[C@H]1CNC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000246418240 276184932 /nfs/dbraw/zinc/18/49/32/276184932.db2.gz SIWJAESCNSNILD-KBPBESRZSA-N 2 2 305.426 2.131 10 0 DEAELP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cnc(Cl)s3)C2)CC1 ZINC000130564577 276201202 /nfs/dbraw/zinc/20/12/02/276201202.db2.gz BMDJFAGFIAMGMD-LBPRGKRZSA-N 2 2 314.886 2.008 10 0 DEAELP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cnc(Cl)s3)C2)CC1 ZINC000130564577 276201204 /nfs/dbraw/zinc/20/12/04/276201204.db2.gz BMDJFAGFIAMGMD-LBPRGKRZSA-N 2 2 314.886 2.008 10 0 DEAELP C[C@@H](C[NH+](C)C)n1c2ccccc2nc1CC[NH+]1CCOCC1 ZINC000002016514 278240498 /nfs/dbraw/zinc/24/04/98/278240498.db2.gz OBDRWUGWIUTSIB-HNNXBMFYSA-N 2 2 316.449 2.034 10 0 DEAELP Cc1nc(N2CC[NH+](C[C@H]3CCC4(CCCC4)O3)CC2)cc[nH+]1 ZINC000583096485 337240549 /nfs/dbraw/zinc/24/05/49/337240549.db2.gz KFQQXPNMWQTRML-MRXNPFEDSA-N 2 2 316.449 2.399 10 0 DEAELP C(c1nnc([C@H]2CCC[N@@H+](C3CC[NH2+]CC3)C2)[nH]1)C1CCC1 ZINC000584615376 337372715 /nfs/dbraw/zinc/37/27/15/337372715.db2.gz PKSWWKCPKHWTHL-AWEZNQCLSA-N 2 2 303.454 2.079 10 0 DEAELP C(c1nnc([C@H]2CCC[N@H+](C3CC[NH2+]CC3)C2)[nH]1)C1CCC1 ZINC000584615376 337372716 /nfs/dbraw/zinc/37/27/16/337372716.db2.gz PKSWWKCPKHWTHL-AWEZNQCLSA-N 2 2 303.454 2.079 10 0 DEAELP C(c1n[nH]c([C@H]2CCC[N@@H+](C3CC[NH2+]CC3)C2)n1)C1CCC1 ZINC000584615376 337372717 /nfs/dbraw/zinc/37/27/17/337372717.db2.gz PKSWWKCPKHWTHL-AWEZNQCLSA-N 2 2 303.454 2.079 10 0 DEAELP CC(C)Cn1cc[nH+]c1CNC(=O)C[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000178809773 534911862 /nfs/dbraw/zinc/91/18/62/534911862.db2.gz ABASUENUVFAVNO-GJZGRUSLSA-N 2 2 306.454 2.181 10 0 DEAELP CCN(C(=O)[C@H](C)[NH+]1CCC2(CC[NH2+]2)CC1)c1ccccc1 ZINC000422625429 529052994 /nfs/dbraw/zinc/05/29/94/529052994.db2.gz BOBQFSXFNWFDKV-HNNXBMFYSA-N 2 2 301.434 2.256 10 0 DEAELP CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000358168229 535239827 /nfs/dbraw/zinc/23/98/27/535239827.db2.gz QBVGVTPSFLWAPD-AWEZNQCLSA-N 2 2 321.469 2.419 10 0 DEAELP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000358168229 535239835 /nfs/dbraw/zinc/23/98/35/535239835.db2.gz QBVGVTPSFLWAPD-AWEZNQCLSA-N 2 2 321.469 2.419 10 0 DEAELP CCc1ccc(NC(=O)[C@@H](C)[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1 ZINC000193654620 536188580 /nfs/dbraw/zinc/18/85/80/536188580.db2.gz JXTZGGALAKCMNH-BMFZPTHFSA-N 2 2 301.434 2.069 10 0 DEAELP CCc1ccc(NC(=O)[C@@H](C)[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1 ZINC000193654620 536188582 /nfs/dbraw/zinc/18/85/82/536188582.db2.gz JXTZGGALAKCMNH-BMFZPTHFSA-N 2 2 301.434 2.069 10 0 DEAELP CCc1ccc(NC(=O)[C@@H](C)[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cc1 ZINC000193654620 536188583 /nfs/dbraw/zinc/18/85/83/536188583.db2.gz JXTZGGALAKCMNH-BMFZPTHFSA-N 2 2 301.434 2.069 10 0 DEAELP CCc1ccc(NC(=O)[C@@H](C)[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cc1 ZINC000193654620 536188585 /nfs/dbraw/zinc/18/85/85/536188585.db2.gz JXTZGGALAKCMNH-BMFZPTHFSA-N 2 2 301.434 2.069 10 0 DEAELP c1ccc(N2CC[NH+](CCC[NH2+]Cc3cccnc3)CC2)cc1 ZINC000073803921 1080188205 /nfs/dbraw/zinc/18/82/05/1080188205.db2.gz CRLROMPFZNCXTE-UHFFFAOYSA-N 2 2 310.445 2.384 10 0 DEAELP C[C@@H](C(=O)Nc1cccc(C[NH3+])c1)[N@H+](C)CCC(F)(F)F ZINC000088417591 185249297 /nfs/dbraw/zinc/24/92/97/185249297.db2.gz OFBQICWUAFKJNM-JTQLQIEISA-N 2 2 303.328 2.357 10 0 DEAELP C[C@@H](C(=O)Nc1cccc(C[NH3+])c1)[N@@H+](C)CCC(F)(F)F ZINC000088417591 185249298 /nfs/dbraw/zinc/24/92/98/185249298.db2.gz OFBQICWUAFKJNM-JTQLQIEISA-N 2 2 303.328 2.357 10 0 DEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NCc2ccc(F)cc2)[C@@H](C)C1 ZINC000245416101 282386025 /nfs/dbraw/zinc/38/60/25/282386025.db2.gz DXKSLLPEGUZQFI-YOEHRIQHSA-N 2 2 321.440 2.104 10 0 DEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NCc2ccc(F)cc2)[C@@H](C)C1 ZINC000245416101 282386030 /nfs/dbraw/zinc/38/60/30/282386030.db2.gz DXKSLLPEGUZQFI-YOEHRIQHSA-N 2 2 321.440 2.104 10 0 DEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NCc2ccc(F)cc2)[C@@H](C)C1 ZINC000245416101 282386037 /nfs/dbraw/zinc/38/60/37/282386037.db2.gz DXKSLLPEGUZQFI-YOEHRIQHSA-N 2 2 321.440 2.104 10 0 DEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NCc2ccc(F)cc2)[C@@H](C)C1 ZINC000245416101 282386041 /nfs/dbraw/zinc/38/60/41/282386041.db2.gz DXKSLLPEGUZQFI-YOEHRIQHSA-N 2 2 321.440 2.104 10 0 DEAELP C[C@H](C(=O)N(C)Cc1cccc(F)c1)[NH+]1CCC([NH+](C)C)CC1 ZINC000193814071 539715462 /nfs/dbraw/zinc/71/54/62/539715462.db2.gz JJVQOBWZMPITMW-CQSZACIVSA-N 2 2 321.440 2.199 10 0 DEAELP CC(C)c1cc(N2CC[NH+]([C@H](C)CO)CC2)nc(C(C)C)[nH+]1 ZINC000090090397 355556111 /nfs/dbraw/zinc/55/61/11/355556111.db2.gz YAVOMKPCIOZHHM-CQSZACIVSA-N 2 2 306.454 2.226 10 0 DEAELP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C[C@H](O)C(F)(F)F)C1 ZINC000181704560 356091682 /nfs/dbraw/zinc/09/16/82/356091682.db2.gz MTRUNKOIIBPDCE-MCIONIFRSA-N 2 2 308.388 2.496 10 0 DEAELP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@H](O)C(F)(F)F)C1 ZINC000181704560 356091686 /nfs/dbraw/zinc/09/16/86/356091686.db2.gz MTRUNKOIIBPDCE-MCIONIFRSA-N 2 2 308.388 2.496 10 0 DEAELP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[C@H](O)C(F)(F)F)C1 ZINC000181704560 356091691 /nfs/dbraw/zinc/09/16/91/356091691.db2.gz MTRUNKOIIBPDCE-MCIONIFRSA-N 2 2 308.388 2.496 10 0 DEAELP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C[C@H](O)C(F)(F)F)C1 ZINC000181704560 356091697 /nfs/dbraw/zinc/09/16/97/356091697.db2.gz MTRUNKOIIBPDCE-MCIONIFRSA-N 2 2 308.388 2.496 10 0 DEAELP CC[N@H+](Cc1ccccc1)[C@H](C[NH3+])CNC(=O)OC(C)(C)C ZINC000226184785 356278283 /nfs/dbraw/zinc/27/82/83/356278283.db2.gz BYAKMJGLGHPATI-OAHLLOKOSA-N 2 2 307.438 2.361 10 0 DEAELP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000400330752 283155733 /nfs/dbraw/zinc/15/57/33/283155733.db2.gz BTLJFJMHRZJHSC-KKUMJFAQSA-N 2 2 311.470 2.458 10 0 DEAELP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000400330752 283155737 /nfs/dbraw/zinc/15/57/37/283155737.db2.gz BTLJFJMHRZJHSC-KKUMJFAQSA-N 2 2 311.470 2.458 10 0 DEAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000400808100 283159072 /nfs/dbraw/zinc/15/90/72/283159072.db2.gz WZXRKPQNJFPJFP-KKUMJFAQSA-N 2 2 311.470 2.458 10 0 DEAELP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000400808100 283159075 /nfs/dbraw/zinc/15/90/75/283159075.db2.gz WZXRKPQNJFPJFP-KKUMJFAQSA-N 2 2 311.470 2.458 10 0 DEAELP C[C@H]([NH2+]CC[NH+]1CCCC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400509137 283157589 /nfs/dbraw/zinc/15/75/89/283157589.db2.gz KXBCIWMNDMAGEJ-GJZGRUSLSA-N 2 2 311.470 2.317 10 0 DEAELP c1csc(-c2noc(CCC[N@@H+]3CC[C@@H]4C[NH2+]C[C@@H]43)n2)c1 ZINC000385394932 356687651 /nfs/dbraw/zinc/68/76/51/356687651.db2.gz UIGUAPXDBASKSM-NEPJUHHUSA-N 2 2 304.419 2.024 10 0 DEAELP c1csc(-c2noc(CCC[N@H+]3CC[C@@H]4C[NH2+]C[C@@H]43)n2)c1 ZINC000385394932 356687654 /nfs/dbraw/zinc/68/76/54/356687654.db2.gz UIGUAPXDBASKSM-NEPJUHHUSA-N 2 2 304.419 2.024 10 0 DEAELP NC(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000299740786 283345599 /nfs/dbraw/zinc/34/55/99/283345599.db2.gz BSDBPGZMNFATQQ-YJBOKZPZSA-N 2 2 324.428 2.235 10 0 DEAELP NC(=O)[C@H](c1ccccc1)[N@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000299740786 283345602 /nfs/dbraw/zinc/34/56/02/283345602.db2.gz BSDBPGZMNFATQQ-YJBOKZPZSA-N 2 2 324.428 2.235 10 0 DEAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)c2nccs2)nc[nH+]1 ZINC000180570490 199177840 /nfs/dbraw/zinc/17/78/40/199177840.db2.gz MNXQSOBHOCVILK-RYUDHWBXSA-N 2 2 318.450 2.294 10 0 DEAELP CCC[N@H+](C)CC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000608207489 361184583 /nfs/dbraw/zinc/18/45/83/361184583.db2.gz HDJNRTOVJJOFLB-INIZCTEOSA-N 2 2 314.433 2.162 10 0 DEAELP CCC[N@@H+](C)CC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000608207489 361184585 /nfs/dbraw/zinc/18/45/85/361184585.db2.gz HDJNRTOVJJOFLB-INIZCTEOSA-N 2 2 314.433 2.162 10 0 DEAELP CC(=O)N1CC[C@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c2ccccc21 ZINC000621761835 364538259 /nfs/dbraw/zinc/53/82/59/364538259.db2.gz OGKQVVYIYMXDEE-HIFRSBDPSA-N 2 2 310.401 2.355 10 0 DEAELP CC(=O)N1CC[C@H]([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)c2ccccc21 ZINC000621761835 364538261 /nfs/dbraw/zinc/53/82/61/364538261.db2.gz OGKQVVYIYMXDEE-HIFRSBDPSA-N 2 2 310.401 2.355 10 0 DEAELP [NH3+]C[C@@H](CC(=O)N1CCCC1)[N@H+](Cc1cccs1)C1CC1 ZINC000091323423 193040002 /nfs/dbraw/zinc/04/00/02/193040002.db2.gz HBEWWZUKLAEQDZ-CQSZACIVSA-N 2 2 307.463 2.052 10 0 DEAELP [NH3+]C[C@@H](CC(=O)N1CCCC1)[N@@H+](Cc1cccs1)C1CC1 ZINC000091323423 193040006 /nfs/dbraw/zinc/04/00/06/193040006.db2.gz HBEWWZUKLAEQDZ-CQSZACIVSA-N 2 2 307.463 2.052 10 0 DEAELP CC(C)(C)NC(=O)C[C@H](C[NH3+])[N@H+](Cc1cccs1)C1CC1 ZINC000091321321 193040972 /nfs/dbraw/zinc/04/09/72/193040972.db2.gz BWGOZWZYPSZKNL-CYBMUJFWSA-N 2 2 309.479 2.345 10 0 DEAELP CC(C)(C)NC(=O)C[C@H](C[NH3+])[N@@H+](Cc1cccs1)C1CC1 ZINC000091321321 193040975 /nfs/dbraw/zinc/04/09/75/193040975.db2.gz BWGOZWZYPSZKNL-CYBMUJFWSA-N 2 2 309.479 2.345 10 0 DEAELP CC[NH2+][C@@H](CCCS(=O)(=O)CC)C(C)(C)[NH+](CC)CC ZINC000091531237 193070145 /nfs/dbraw/zinc/07/01/45/193070145.db2.gz VKEGXFLELKFOQK-AWEZNQCLSA-N 2 2 306.516 2.300 10 0 DEAELP CCC(CC)([C@H](CCCS(C)(=O)=O)[NH2+]C)[NH+]1CCCC1 ZINC000091635239 193082050 /nfs/dbraw/zinc/08/20/50/193082050.db2.gz WGEHBTPSXYMRJC-AWEZNQCLSA-N 2 2 304.500 2.054 10 0 DEAELP Cc1sc2nc(C[N@@H+](C)CC(C)(C)C[NH3+])nc(N)c2c1C ZINC000093873862 193322035 /nfs/dbraw/zinc/32/20/35/193322035.db2.gz YPUQCRQNBVUCIM-UHFFFAOYSA-N 2 2 307.467 2.307 10 0 DEAELP Cc1sc2nc(C[N@H+](C)CC(C)(C)C[NH3+])nc(N)c2c1C ZINC000093873862 193322037 /nfs/dbraw/zinc/32/20/37/193322037.db2.gz YPUQCRQNBVUCIM-UHFFFAOYSA-N 2 2 307.467 2.307 10 0 DEAELP [NH3+]CCCOC1CC[NH+](Cc2ccc(Br)o2)CC1 ZINC000094069962 193343430 /nfs/dbraw/zinc/34/34/30/193343430.db2.gz XVIIELKBDACYRN-UHFFFAOYSA-N 2 2 317.227 2.372 10 0 DEAELP CCC[NH2+][C@@H](Cc1ccc(Cl)cc1)[C@H]1C[NH+]2CCN1CC2 ZINC000094510754 193375369 /nfs/dbraw/zinc/37/53/69/193375369.db2.gz XNNRQDIKZGKRFU-DLBZAZTESA-N 2 2 307.869 2.251 10 0 DEAELP COc1c(Cl)cc(Cl)cc1C[NH2+]CCC[NH2+]CCO ZINC000013733102 294901564 /nfs/dbraw/zinc/90/15/64/294901564.db2.gz DLYCZRIDBKDVFL-UHFFFAOYSA-N 2 2 307.221 2.064 10 0 DEAELP CC[N@H+](CCOC)[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000042492616 183276188 /nfs/dbraw/zinc/27/61/88/183276188.db2.gz WUGZUNRPLWJHDG-ZDUSSCGKSA-N 2 2 301.228 2.417 10 0 DEAELP CC[N@@H+](CCOC)[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000042492616 183276190 /nfs/dbraw/zinc/27/61/90/183276190.db2.gz WUGZUNRPLWJHDG-ZDUSSCGKSA-N 2 2 301.228 2.417 10 0 DEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)Nc2cc(C)on2)C1 ZINC000105896336 194161701 /nfs/dbraw/zinc/16/17/01/194161701.db2.gz PQRXAUNMKGHOFF-CYBMUJFWSA-N 2 2 317.393 2.018 10 0 DEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(C)on2)C1 ZINC000105896336 194161703 /nfs/dbraw/zinc/16/17/03/194161703.db2.gz PQRXAUNMKGHOFF-CYBMUJFWSA-N 2 2 317.393 2.018 10 0 DEAELP C[NH2+][C@H](C)c1ccc(S(=O)(=O)Nc2cc[nH+]cc2C)cc1 ZINC000111043914 194386074 /nfs/dbraw/zinc/38/60/74/194386074.db2.gz RXXHAAOYVTVLFZ-GFCCVEGCSA-N 2 2 305.403 2.471 10 0 DEAELP C[N@H+](C[C@H]1CCCOC1)[C@@H](C[NH3+])c1cc(F)c(F)c(F)c1 ZINC000111158300 194397324 /nfs/dbraw/zinc/39/73/24/194397324.db2.gz XFBQQRRTOBCBAS-YGRLFVJLSA-N 2 2 302.340 2.462 10 0 DEAELP C[N@@H+](C[C@H]1CCCOC1)[C@@H](C[NH3+])c1cc(F)c(F)c(F)c1 ZINC000111158300 194397326 /nfs/dbraw/zinc/39/73/26/194397326.db2.gz XFBQQRRTOBCBAS-YGRLFVJLSA-N 2 2 302.340 2.462 10 0 DEAELP C[C@@H]1C[N@H+](Cc2cnc(NC(=O)C3(C)CC3)s2)CC[C@H]1[NH3+] ZINC000725272978 542771046 /nfs/dbraw/zinc/77/10/46/542771046.db2.gz WQJBFXIJMTZXEG-ZYHUDNBSSA-N 2 2 308.451 2.051 10 0 DEAELP C[C@@H]1C[N@@H+](Cc2cnc(NC(=O)C3(C)CC3)s2)CC[C@H]1[NH3+] ZINC000725272978 542771049 /nfs/dbraw/zinc/77/10/49/542771049.db2.gz WQJBFXIJMTZXEG-ZYHUDNBSSA-N 2 2 308.451 2.051 10 0 DEAELP Cc1[nH+]ccn1CCC[N@@H+]1CCO[C@@H](COc2ccccc2)C1 ZINC000361984898 133203241 /nfs/dbraw/zinc/20/32/41/133203241.db2.gz LWSTYBIZMYUFDZ-GOSISDBHSA-N 2 2 315.417 2.361 10 0 DEAELP Cc1[nH+]ccn1CCC[N@H+]1CCO[C@@H](COc2ccccc2)C1 ZINC000361984898 133203242 /nfs/dbraw/zinc/20/32/42/133203242.db2.gz LWSTYBIZMYUFDZ-GOSISDBHSA-N 2 2 315.417 2.361 10 0 DEAELP NC(=S)c1cc(N2CCC(C[NH+]3CCCC3)CC2)cc[nH+]1 ZINC000062035078 134804361 /nfs/dbraw/zinc/80/43/61/134804361.db2.gz XCHUCFIUKCTNTJ-UHFFFAOYSA-N 2 2 304.463 2.028 10 0 DEAELP Cc1ccc(N2CCC([NH2+][C@@H]3CC[N@H+](C)[C@@H](C)C3)CC2)[nH+]c1 ZINC000247954904 145145724 /nfs/dbraw/zinc/14/57/24/145145724.db2.gz FKNGOKXCQXWAFS-DOTOQJQBSA-N 3 2 302.466 2.431 10 0 DEAELP Cc1ccc(N2CCC([NH2+][C@@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)[nH+]c1 ZINC000247954904 145145726 /nfs/dbraw/zinc/14/57/26/145145726.db2.gz FKNGOKXCQXWAFS-DOTOQJQBSA-N 3 2 302.466 2.431 10 0 DEAELP CN(C)C(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000248068984 145147336 /nfs/dbraw/zinc/14/73/36/145147336.db2.gz MLAMCWZKUHHNII-ROUUACIJSA-N 2 2 315.461 2.061 10 0 DEAELP CN(C)C(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000248068984 145147337 /nfs/dbraw/zinc/14/73/37/145147337.db2.gz MLAMCWZKUHHNII-ROUUACIJSA-N 2 2 315.461 2.061 10 0 DEAELP CN(C)C(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000248068984 145147338 /nfs/dbraw/zinc/14/73/38/145147338.db2.gz MLAMCWZKUHHNII-ROUUACIJSA-N 2 2 315.461 2.061 10 0 DEAELP CN(C)C(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000248068984 145147339 /nfs/dbraw/zinc/14/73/39/145147339.db2.gz MLAMCWZKUHHNII-ROUUACIJSA-N 2 2 315.461 2.061 10 0 DEAELP COc1cccc(NC(=O)C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000248132758 145148288 /nfs/dbraw/zinc/14/82/88/145148288.db2.gz ORQOIWJATVLHND-WMLDXEAASA-N 2 2 317.433 2.050 10 0 DEAELP COc1cccc(NC(=O)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000248132758 145148290 /nfs/dbraw/zinc/14/82/90/145148290.db2.gz ORQOIWJATVLHND-WMLDXEAASA-N 2 2 317.433 2.050 10 0 DEAELP COc1cccc(NC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000248132758 145148291 /nfs/dbraw/zinc/14/82/91/145148291.db2.gz ORQOIWJATVLHND-WMLDXEAASA-N 2 2 317.433 2.050 10 0 DEAELP COc1cccc(NC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000248132758 145148293 /nfs/dbraw/zinc/14/82/93/145148293.db2.gz ORQOIWJATVLHND-WMLDXEAASA-N 2 2 317.433 2.050 10 0 DEAELP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3nnc(-c4ccco4)o3)CC[C@H]21 ZINC000248132865 145148588 /nfs/dbraw/zinc/14/85/88/145148588.db2.gz OSCKUOPCILOECM-CHWSQXEVSA-N 2 2 302.378 2.246 10 0 DEAELP C[N@H+]1CCC[C@@H]2C[NH+](Cc3nnc(-c4ccco4)o3)CC[C@H]21 ZINC000248132865 145148589 /nfs/dbraw/zinc/14/85/89/145148589.db2.gz OSCKUOPCILOECM-CHWSQXEVSA-N 2 2 302.378 2.246 10 0 DEAELP C[NH+]1CCC[C@@H]2C[N@H+](Cc3nnc(-c4ccco4)o3)CC[C@H]21 ZINC000248132865 145148590 /nfs/dbraw/zinc/14/85/90/145148590.db2.gz OSCKUOPCILOECM-CHWSQXEVSA-N 2 2 302.378 2.246 10 0 DEAELP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3nnc(-c4ccco4)o3)CC[C@H]21 ZINC000248132865 145148591 /nfs/dbraw/zinc/14/85/91/145148591.db2.gz OSCKUOPCILOECM-CHWSQXEVSA-N 2 2 302.378 2.246 10 0 DEAELP COc1cccc(NC(=O)C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000248132752 145148668 /nfs/dbraw/zinc/14/86/68/145148668.db2.gz ORQOIWJATVLHND-RHSMWYFYSA-N 2 2 317.433 2.050 10 0 DEAELP COc1cccc(NC(=O)C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000248132752 145148669 /nfs/dbraw/zinc/14/86/69/145148669.db2.gz ORQOIWJATVLHND-RHSMWYFYSA-N 2 2 317.433 2.050 10 0 DEAELP COc1cccc(NC(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000248132752 145148670 /nfs/dbraw/zinc/14/86/70/145148670.db2.gz ORQOIWJATVLHND-RHSMWYFYSA-N 2 2 317.433 2.050 10 0 DEAELP COc1cccc(NC(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000248132752 145148671 /nfs/dbraw/zinc/14/86/71/145148671.db2.gz ORQOIWJATVLHND-RHSMWYFYSA-N 2 2 317.433 2.050 10 0 DEAELP O[C@@H](Cc1ccccc1)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249866011 145190856 /nfs/dbraw/zinc/19/08/56/145190856.db2.gz HYJAURCAAHAANF-ROUUACIJSA-N 2 2 311.429 2.419 10 0 DEAELP O[C@@H](Cc1ccccc1)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249866011 145190857 /nfs/dbraw/zinc/19/08/57/145190857.db2.gz HYJAURCAAHAANF-ROUUACIJSA-N 2 2 311.429 2.419 10 0 DEAELP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+][C@H]3CCSC3)C2)cc1 ZINC000253335902 145201605 /nfs/dbraw/zinc/20/16/05/145201605.db2.gz AXHVUPOEWIHRSD-DLBZAZTESA-N 2 2 306.475 2.373 10 0 DEAELP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+][C@H]3CCSC3)C2)cc1 ZINC000253335902 145201607 /nfs/dbraw/zinc/20/16/07/145201607.db2.gz AXHVUPOEWIHRSD-DLBZAZTESA-N 2 2 306.475 2.373 10 0 DEAELP [NH3+][C@@H]1CCC[C@H]1CC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000261616581 145211112 /nfs/dbraw/zinc/21/11/12/145211112.db2.gz AIEGAGRYZXTNRM-DLBZAZTESA-N 2 2 312.417 2.065 10 0 DEAELP C[N@H+](CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)CC(C)(C)[NH3+] ZINC000261758912 145223317 /nfs/dbraw/zinc/22/33/17/145223317.db2.gz CVYFVHHJAUGKAE-GOSISDBHSA-N 3 2 319.493 2.101 10 0 DEAELP C[N@@H+](CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)CC(C)(C)[NH3+] ZINC000261758912 145223318 /nfs/dbraw/zinc/22/33/18/145223318.db2.gz CVYFVHHJAUGKAE-GOSISDBHSA-N 3 2 319.493 2.101 10 0 DEAELP COc1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261815846 145229788 /nfs/dbraw/zinc/22/97/88/145229788.db2.gz PCBVHLAIQUBYDI-WFASDCNBSA-N 2 2 305.422 2.081 10 0 DEAELP COc1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261815846 145229791 /nfs/dbraw/zinc/22/97/91/145229791.db2.gz PCBVHLAIQUBYDI-WFASDCNBSA-N 2 2 305.422 2.081 10 0 DEAELP C[C@@H](C(=O)Nc1ccc(Cl)cn1)[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261886297 145237808 /nfs/dbraw/zinc/23/78/08/145237808.db2.gz VDBROJKLYIUWMX-JQWIXIFHSA-N 2 2 310.829 2.121 10 0 DEAELP C[C@@H](C(=O)Nc1ccc(Cl)cn1)[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261886297 145237811 /nfs/dbraw/zinc/23/78/11/145237811.db2.gz VDBROJKLYIUWMX-JQWIXIFHSA-N 2 2 310.829 2.121 10 0 DEAELP C[C@@H]1CCc2ccccc2N1C(=O)C[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261904481 145240089 /nfs/dbraw/zinc/24/00/89/145240089.db2.gz WWDVPIFZTPDPJT-PBHICJAKSA-N 2 2 315.461 2.414 10 0 DEAELP C[C@@H]1CCc2ccccc2N1C(=O)C[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261904481 145240092 /nfs/dbraw/zinc/24/00/92/145240092.db2.gz WWDVPIFZTPDPJT-PBHICJAKSA-N 2 2 315.461 2.414 10 0 DEAELP C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261923760 145242846 /nfs/dbraw/zinc/24/28/46/145242846.db2.gz YYKBWFZIVGEPHB-YGRLFVJLSA-N 2 2 311.376 2.351 10 0 DEAELP C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261923760 145242848 /nfs/dbraw/zinc/24/28/48/145242848.db2.gz YYKBWFZIVGEPHB-YGRLFVJLSA-N 2 2 311.376 2.351 10 0 DEAELP Cc1[nH+]c2ccccc2n1CCNC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000261968982 145248079 /nfs/dbraw/zinc/24/80/79/145248079.db2.gz YSAQAZXRFLLOMW-INIZCTEOSA-N 2 2 314.433 2.239 10 0 DEAELP C[C@]1(C[NH+]2CCN(Cc3cccc(Cl)c3)CC2)CC[NH2+]C1 ZINC000262009251 145253144 /nfs/dbraw/zinc/25/31/44/145253144.db2.gz MECQPBZTBLEKKC-KRWDZBQOSA-N 2 2 307.869 2.457 10 0 DEAELP C[C@]1(CN2CC[NH+](Cc3cccc(Cl)c3)CC2)CC[NH2+]C1 ZINC000262009251 145253145 /nfs/dbraw/zinc/25/31/45/145253145.db2.gz MECQPBZTBLEKKC-KRWDZBQOSA-N 2 2 307.869 2.457 10 0 DEAELP [NH3+]Cc1nc(C[N@@H+]2CC[C@@H](CSc3ccccc3)C2)no1 ZINC000262228353 145271127 /nfs/dbraw/zinc/27/11/27/145271127.db2.gz NMKMAIILFPJDRD-GFCCVEGCSA-N 2 2 304.419 2.143 10 0 DEAELP [NH3+]Cc1nc(C[N@H+]2CC[C@@H](CSc3ccccc3)C2)no1 ZINC000262228353 145271128 /nfs/dbraw/zinc/27/11/28/145271128.db2.gz NMKMAIILFPJDRD-GFCCVEGCSA-N 2 2 304.419 2.143 10 0 DEAELP C[C@@H](C(=O)NCc1ccc[nH+]c1N(C)C)[C@H]([NH3+])c1ccccc1 ZINC000262661903 145298567 /nfs/dbraw/zinc/29/85/67/145298567.db2.gz GLVZWNJSKLBFAM-CJNGLKHVSA-N 2 2 312.417 2.100 10 0 DEAELP CC1=CC[N@H+](CCNC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)CC1 ZINC000358630133 147169513 /nfs/dbraw/zinc/16/95/13/147169513.db2.gz AWSARIOPRXWEED-OAHLLOKOSA-N 2 2 317.437 2.298 10 0 DEAELP CC1=CC[N@@H+](CCNC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)CC1 ZINC000358630133 147169515 /nfs/dbraw/zinc/16/95/15/147169515.db2.gz AWSARIOPRXWEED-OAHLLOKOSA-N 2 2 317.437 2.298 10 0 DEAELP C[C@H]1CCCN(c2cc(N3CC[N@@H+]4CCCC[C@@H]4C3)nc[nH+]2)C1 ZINC000112077130 401730093 /nfs/dbraw/zinc/73/00/93/401730093.db2.gz YUEHQACCCJODGN-JKSUJKDBSA-N 2 2 315.465 2.387 10 0 DEAELP C[C@H]1CCCN(c2cc(N3CC[N@H+]4CCCC[C@@H]4C3)nc[nH+]2)C1 ZINC000112077130 401730096 /nfs/dbraw/zinc/73/00/96/401730096.db2.gz YUEHQACCCJODGN-JKSUJKDBSA-N 2 2 315.465 2.387 10 0 DEAELP CCc1ccc([C@@H]2CCCC[N@@H+]2CC(=O)N2CC[NH+](C)CC2)o1 ZINC000093175988 402012577 /nfs/dbraw/zinc/01/25/77/402012577.db2.gz SOBCLNHTJWNCPS-INIZCTEOSA-N 2 2 319.449 2.143 10 0 DEAELP CCc1ccc([C@@H]2CCCC[N@H+]2CC(=O)N2CC[NH+](C)CC2)o1 ZINC000093175988 402012581 /nfs/dbraw/zinc/01/25/81/402012581.db2.gz SOBCLNHTJWNCPS-INIZCTEOSA-N 2 2 319.449 2.143 10 0 DEAELP O[C@@H](C[NH2+][C@H]1CCCOc2ccccc21)C[NH+]1CCCCC1 ZINC000151309632 402029333 /nfs/dbraw/zinc/02/93/33/402029333.db2.gz FEVQCHXORMGSMN-RDJZCZTQSA-N 2 2 304.434 2.337 10 0 DEAELP C(C[NH+]1CCCC1)C[N@@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000152293154 402087555 /nfs/dbraw/zinc/08/75/55/402087555.db2.gz FGASJPKLQBSNFB-HNNXBMFYSA-N 2 2 303.454 2.347 10 0 DEAELP C(C[NH+]1CCCC1)C[N@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000152293154 402087556 /nfs/dbraw/zinc/08/75/56/402087556.db2.gz FGASJPKLQBSNFB-HNNXBMFYSA-N 2 2 303.454 2.347 10 0 DEAELP C(C[NH+]1CCCC1)C[N@@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000152293154 402087557 /nfs/dbraw/zinc/08/75/57/402087557.db2.gz FGASJPKLQBSNFB-HNNXBMFYSA-N 2 2 303.454 2.347 10 0 DEAELP CC1CCC(N(C)C(=O)C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)CC1 ZINC000123716272 402143023 /nfs/dbraw/zinc/14/30/23/402143023.db2.gz LVJYVICMIBYIGA-MYBQVCMBSA-N 2 2 309.498 2.438 10 0 DEAELP CC1CCC(N(C)C(=O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)CC1 ZINC000123716272 402143025 /nfs/dbraw/zinc/14/30/25/402143025.db2.gz LVJYVICMIBYIGA-MYBQVCMBSA-N 2 2 309.498 2.438 10 0 DEAELP CC1CCC(N(C)C(=O)C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000123716272 402143028 /nfs/dbraw/zinc/14/30/28/402143028.db2.gz LVJYVICMIBYIGA-MYBQVCMBSA-N 2 2 309.498 2.438 10 0 DEAELP CC1CCC(N(C)C(=O)C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000123716272 402143032 /nfs/dbraw/zinc/14/30/32/402143032.db2.gz LVJYVICMIBYIGA-MYBQVCMBSA-N 2 2 309.498 2.438 10 0 DEAELP CCC(CC)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000154156276 402195725 /nfs/dbraw/zinc/19/57/25/402195725.db2.gz CZGOKXIGCDNTNO-SJPCQFCGSA-N 2 2 307.482 2.192 10 0 DEAELP CCC(CC)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000154156276 402195726 /nfs/dbraw/zinc/19/57/26/402195726.db2.gz CZGOKXIGCDNTNO-SJPCQFCGSA-N 2 2 307.482 2.192 10 0 DEAELP CCC[C@@H](C(=O)Nc1nc2c(s1)C[N@H+](CC)CC2)[NH+](C)C ZINC000153662176 402161418 /nfs/dbraw/zinc/16/14/18/402161418.db2.gz QGEVLQXRTKUROQ-LBPRGKRZSA-N 2 2 310.467 2.190 10 0 DEAELP CCC[C@@H](C(=O)Nc1nc2c(s1)C[N@@H+](CC)CC2)[NH+](C)C ZINC000153662176 402161420 /nfs/dbraw/zinc/16/14/20/402161420.db2.gz QGEVLQXRTKUROQ-LBPRGKRZSA-N 2 2 310.467 2.190 10 0 DEAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(-c3cnn(C)c3)no2)[C@H](C)C1 ZINC000185036354 402318798 /nfs/dbraw/zinc/31/87/98/402318798.db2.gz HOYWZYIOBVSIEI-CXAGYDPISA-N 2 2 317.437 2.237 10 0 DEAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(-c3cnn(C)c3)no2)[C@H](C)C1 ZINC000185036354 402318800 /nfs/dbraw/zinc/31/88/00/402318800.db2.gz HOYWZYIOBVSIEI-CXAGYDPISA-N 2 2 317.437 2.237 10 0 DEAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(-c3cnn(C)c3)no2)[C@H](C)C1 ZINC000185036354 402318803 /nfs/dbraw/zinc/31/88/03/402318803.db2.gz HOYWZYIOBVSIEI-CXAGYDPISA-N 2 2 317.437 2.237 10 0 DEAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(-c3cnn(C)c3)no2)[C@H](C)C1 ZINC000185036354 402318806 /nfs/dbraw/zinc/31/88/06/402318806.db2.gz HOYWZYIOBVSIEI-CXAGYDPISA-N 2 2 317.437 2.237 10 0 DEAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NCc2cccs2)[C@@H](C)C1 ZINC000245427997 402459566 /nfs/dbraw/zinc/45/95/66/402459566.db2.gz MHDBTSVVIMYPMO-DZGCQCFKSA-N 2 2 309.479 2.026 10 0 DEAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NCc2cccs2)[C@@H](C)C1 ZINC000245427997 402459567 /nfs/dbraw/zinc/45/95/67/402459567.db2.gz MHDBTSVVIMYPMO-DZGCQCFKSA-N 2 2 309.479 2.026 10 0 DEAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NCc2cccs2)[C@@H](C)C1 ZINC000245427997 402459569 /nfs/dbraw/zinc/45/95/69/402459569.db2.gz MHDBTSVVIMYPMO-DZGCQCFKSA-N 2 2 309.479 2.026 10 0 DEAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NCc2cccs2)[C@@H](C)C1 ZINC000245427997 402459571 /nfs/dbraw/zinc/45/95/71/402459571.db2.gz MHDBTSVVIMYPMO-DZGCQCFKSA-N 2 2 309.479 2.026 10 0 DEAELP Cc1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c(C)n1 ZINC000187005738 402477627 /nfs/dbraw/zinc/47/76/27/402477627.db2.gz JCBCYHAWTUXEGX-IBGZPJMESA-N 2 2 316.493 2.300 10 0 DEAELP Cc1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c(C)n1 ZINC000187005738 402477630 /nfs/dbraw/zinc/47/76/30/402477630.db2.gz JCBCYHAWTUXEGX-IBGZPJMESA-N 2 2 316.493 2.300 10 0 DEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)Nc1cccc(F)c1 ZINC000178299435 402481810 /nfs/dbraw/zinc/48/18/10/402481810.db2.gz XZFPYMGZVANODN-INIZCTEOSA-N 2 2 316.380 2.434 10 0 DEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)Nc1cccc(F)c1 ZINC000178299435 402481814 /nfs/dbraw/zinc/48/18/14/402481814.db2.gz XZFPYMGZVANODN-INIZCTEOSA-N 2 2 316.380 2.434 10 0 DEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N([C@H](C)C2CC2)C2CC2)[C@@H](C)C1 ZINC000247253695 402561723 /nfs/dbraw/zinc/56/17/23/402561723.db2.gz USZKFSSINCMBNZ-DAYGRLMNSA-N 2 2 321.509 2.438 10 0 DEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N([C@H](C)C2CC2)C2CC2)[C@@H](C)C1 ZINC000247253695 402561726 /nfs/dbraw/zinc/56/17/26/402561726.db2.gz USZKFSSINCMBNZ-DAYGRLMNSA-N 2 2 321.509 2.438 10 0 DEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N([C@H](C)C2CC2)C2CC2)[C@@H](C)C1 ZINC000247253695 402561728 /nfs/dbraw/zinc/56/17/28/402561728.db2.gz USZKFSSINCMBNZ-DAYGRLMNSA-N 2 2 321.509 2.438 10 0 DEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N([C@H](C)C2CC2)C2CC2)[C@@H](C)C1 ZINC000247253695 402561730 /nfs/dbraw/zinc/56/17/30/402561730.db2.gz USZKFSSINCMBNZ-DAYGRLMNSA-N 2 2 321.509 2.438 10 0 DEAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NCc2cccc(C)c2)[C@@H](C)C1 ZINC000246454742 402531908 /nfs/dbraw/zinc/53/19/08/402531908.db2.gz FOSXTXNCNXASSE-FUHWJXTLSA-N 2 2 317.477 2.273 10 0 DEAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NCc2cccc(C)c2)[C@@H](C)C1 ZINC000246454742 402531912 /nfs/dbraw/zinc/53/19/12/402531912.db2.gz FOSXTXNCNXASSE-FUHWJXTLSA-N 2 2 317.477 2.273 10 0 DEAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NCc2cccc(C)c2)[C@@H](C)C1 ZINC000246454742 402531914 /nfs/dbraw/zinc/53/19/14/402531914.db2.gz FOSXTXNCNXASSE-FUHWJXTLSA-N 2 2 317.477 2.273 10 0 DEAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NCc2cccc(C)c2)[C@@H](C)C1 ZINC000246454742 402531918 /nfs/dbraw/zinc/53/19/18/402531918.db2.gz FOSXTXNCNXASSE-FUHWJXTLSA-N 2 2 317.477 2.273 10 0 DEAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N(C)Cc2cccs2)[C@@H](C)C1 ZINC000246467734 402532867 /nfs/dbraw/zinc/53/28/67/402532867.db2.gz GOCOIBJTNDPKER-GOEBONIOSA-N 2 2 323.506 2.369 10 0 DEAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N(C)Cc2cccs2)[C@@H](C)C1 ZINC000246467734 402532869 /nfs/dbraw/zinc/53/28/69/402532869.db2.gz GOCOIBJTNDPKER-GOEBONIOSA-N 2 2 323.506 2.369 10 0 DEAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N(C)Cc2cccs2)[C@@H](C)C1 ZINC000246467734 402532874 /nfs/dbraw/zinc/53/28/74/402532874.db2.gz GOCOIBJTNDPKER-GOEBONIOSA-N 2 2 323.506 2.369 10 0 DEAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N(C)Cc2cccs2)[C@@H](C)C1 ZINC000246467734 402532876 /nfs/dbraw/zinc/53/28/76/402532876.db2.gz GOCOIBJTNDPKER-GOEBONIOSA-N 2 2 323.506 2.369 10 0 DEAELP NC(=O)[C@H](c1ccc(F)cc1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000171385734 402583082 /nfs/dbraw/zinc/58/30/82/402583082.db2.gz IIHGSBWWLLXDCO-KRWDZBQOSA-N 2 2 319.424 2.160 10 0 DEAELP [NH3+]CC[N@H+](CCc1ccccc1)Cc1c[nH]nc1-c1cccnc1 ZINC000262038130 402721472 /nfs/dbraw/zinc/72/14/72/402721472.db2.gz OVCAYYCHMKLOOZ-UHFFFAOYSA-N 2 2 321.428 2.475 10 0 DEAELP [NH3+]CC[N@@H+](CCc1ccccc1)Cc1c[nH]nc1-c1cccnc1 ZINC000262038130 402721478 /nfs/dbraw/zinc/72/14/78/402721478.db2.gz OVCAYYCHMKLOOZ-UHFFFAOYSA-N 2 2 321.428 2.475 10 0 DEAELP C[C@H](C[NH2+]Cc1ccc2c(c1)sc(=O)n2C)Cn1cc[nH+]c1 ZINC000192512016 402733583 /nfs/dbraw/zinc/73/35/83/402733583.db2.gz ZKJIYHFDVNQOSR-GFCCVEGCSA-N 2 2 316.430 2.222 10 0 DEAELP Cc1cccc2[nH+]c(CNC(=O)c3c[nH+]ccc3N(C)C)cn21 ZINC000183567280 402776638 /nfs/dbraw/zinc/77/66/38/402776638.db2.gz FLRAUOLFELQEHF-UHFFFAOYSA-N 2 2 309.373 2.034 10 0 DEAELP CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515880 402848804 /nfs/dbraw/zinc/84/88/04/402848804.db2.gz BFPAPIHJEYMPMR-SOUVJXGZSA-N 2 2 304.438 2.119 10 0 DEAELP CC[C@H](C)NC(=O)[C@H](C)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515880 402848806 /nfs/dbraw/zinc/84/88/06/402848806.db2.gz BFPAPIHJEYMPMR-SOUVJXGZSA-N 2 2 304.438 2.119 10 0 DEAELP C[NH+](C)C1CCN(c2ccc(NC3CCC([NH3+])CC3)[nH+]c2)CC1 ZINC000333317260 403723056 /nfs/dbraw/zinc/72/30/56/403723056.db2.gz SZXZEFSMAYLEGC-UHFFFAOYSA-N 3 2 317.481 2.294 10 0 DEAELP CCO[C@@H]1C[C@H]([NH2+]CC[NH+]2CCC(C)CC2)C12CCOCC2 ZINC000186246036 286386510 /nfs/dbraw/zinc/38/65/10/286386510.db2.gz ZTAGBYKCDXHOBC-DLBZAZTESA-N 2 2 310.482 2.282 10 0 DEAELP C(C[NH+]1CCO[C@H](C2CCC2)C1)C[N@@H+]1CCO[C@H](C2CCC2)C1 ZINC000411846675 403991334 /nfs/dbraw/zinc/99/13/34/403991334.db2.gz LWVGOQBOUVHEQM-OALUTQOASA-N 2 2 322.493 2.378 10 0 DEAELP C(C[NH+]1CCO[C@H](C2CCC2)C1)C[N@H+]1CCO[C@H](C2CCC2)C1 ZINC000411846675 403991340 /nfs/dbraw/zinc/99/13/40/403991340.db2.gz LWVGOQBOUVHEQM-OALUTQOASA-N 2 2 322.493 2.378 10 0 DEAELP C[C@@H]([NH2+]Cc1ncc(Br)s1)[C@H]1CCC[NH2+]C1 ZINC000414855433 404749620 /nfs/dbraw/zinc/74/96/20/404749620.db2.gz NEQRTXPWDVCMDD-BDAKNGLRSA-N 2 2 304.257 2.383 10 0 DEAELP COC(=O)[C@@H](C1CC1)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361074275 404904390 /nfs/dbraw/zinc/90/43/90/404904390.db2.gz STGAEBLEKLGSND-MRXNPFEDSA-N 2 2 305.422 2.327 10 0 DEAELP COC1([C@H](C)[NH2+]CCc2cn3ccccc3[nH+]2)CCOCC1 ZINC000453098858 405283513 /nfs/dbraw/zinc/28/35/13/405283513.db2.gz XCSJQEKVPWVCHW-AWEZNQCLSA-N 2 2 303.406 2.051 10 0 DEAELP c1nc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)n(-c2ccccc2)n1 ZINC000420378022 405337909 /nfs/dbraw/zinc/33/79/09/405337909.db2.gz AWZBFRCBHPTAAF-WBVHZDCISA-N 2 2 311.433 2.231 10 0 DEAELP c1nc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)n(-c2ccccc2)n1 ZINC000420378022 405337913 /nfs/dbraw/zinc/33/79/13/405337913.db2.gz AWZBFRCBHPTAAF-WBVHZDCISA-N 2 2 311.433 2.231 10 0 DEAELP c1cc(C[N@@H+]2CCO[C@@H](C3CC3)C2)ccc1C[NH+]1CCOCC1 ZINC000420913820 405403742 /nfs/dbraw/zinc/40/37/42/405403742.db2.gz BJORJBGWJLEXNR-LJQANCHMSA-N 2 2 316.445 2.130 10 0 DEAELP c1cc(C[N@H+]2CCO[C@@H](C3CC3)C2)ccc1C[NH+]1CCOCC1 ZINC000420913820 405403744 /nfs/dbraw/zinc/40/37/44/405403744.db2.gz BJORJBGWJLEXNR-LJQANCHMSA-N 2 2 316.445 2.130 10 0 DEAELP C1=CC[C@@H](CC[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)CC1 ZINC000527979429 405467542 /nfs/dbraw/zinc/46/75/42/405467542.db2.gz FSWYARYUPNCQCM-GOSISDBHSA-N 2 2 321.509 2.119 10 0 DEAELP C1=CC[C@@H](CC[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)CC1 ZINC000527979429 405467546 /nfs/dbraw/zinc/46/75/46/405467546.db2.gz FSWYARYUPNCQCM-GOSISDBHSA-N 2 2 321.509 2.119 10 0 DEAELP CO[C@@]1(C[NH2+]C[C@H]2CCCC[N@@H+]2Cc2ccccc2)CCOC1 ZINC000638449390 405476082 /nfs/dbraw/zinc/47/60/82/405476082.db2.gz PBXDMFWYMBURNQ-RTBURBONSA-N 2 2 318.461 2.436 10 0 DEAELP CO[C@@]1(C[NH2+]C[C@H]2CCCC[N@H+]2Cc2ccccc2)CCOC1 ZINC000638449390 405476092 /nfs/dbraw/zinc/47/60/92/405476092.db2.gz PBXDMFWYMBURNQ-RTBURBONSA-N 2 2 318.461 2.436 10 0 DEAELP C[C@@H]([NH2+]CCc1cn(C)c[nH+]1)c1cncc(Br)c1 ZINC000577627587 405483202 /nfs/dbraw/zinc/48/32/02/405483202.db2.gz BJWHGQRFUDKNEO-SNVBAGLBSA-N 2 2 309.211 2.471 10 0 DEAELP c1ccc([C@@H]2CC[C@H](C[NH2+][C@@H](C3CC3)[C@H]3C[NH2+]CCO3)O2)cc1 ZINC000423119712 405701984 /nfs/dbraw/zinc/70/19/84/405701984.db2.gz DINSVBQGIDZOLM-HCXYKTFWSA-N 2 2 316.445 2.263 10 0 DEAELP c1cncc(C[NH2+]CCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000423184438 405713557 /nfs/dbraw/zinc/71/35/57/405713557.db2.gz IBUDWGCMUHWMKK-IPMKNSEASA-N 3 2 316.493 2.462 10 0 DEAELP c1cn(-c2ccc(C[N@@H+]3CC[C@H](Nc4ncccn4)C3)cc2)c[nH+]1 ZINC000567905305 406158440 /nfs/dbraw/zinc/15/84/40/406158440.db2.gz QZATVZQEEGBSLA-INIZCTEOSA-N 2 2 320.400 2.349 10 0 DEAELP Cn1ncc(Br)c1C[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000487331634 406224837 /nfs/dbraw/zinc/22/48/37/406224837.db2.gz YGLLFRPMSFDNDN-MNOVXSKESA-N 2 2 315.259 2.145 10 0 DEAELP c1cncc(C[NH2+]CCC[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC000569437347 406253085 /nfs/dbraw/zinc/25/30/85/406253085.db2.gz VMWCMXKLJBFRSS-UHFFFAOYSA-N 3 2 302.466 2.025 10 0 DEAELP Brc1cccc(OCC[NH2+]CC23CC(C2)C[NH2+]3)c1 ZINC000634995559 406390401 /nfs/dbraw/zinc/39/04/01/406390401.db2.gz IGGWJTFWFFHSLG-UHFFFAOYSA-N 2 2 311.223 2.170 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H](C)Cn1cc[nH+]c1)C2 ZINC000526983343 406564722 /nfs/dbraw/zinc/56/47/22/406564722.db2.gz UPIUAPRUZKOIFB-QWHCGFSZSA-N 2 2 315.421 2.039 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H](C)Cn1cc[nH+]c1)CC2 ZINC000526983343 406564728 /nfs/dbraw/zinc/56/47/28/406564728.db2.gz UPIUAPRUZKOIFB-QWHCGFSZSA-N 2 2 315.421 2.039 10 0 DEAELP Cc1[nH+]c2ccccc2n1CCC(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000548452627 406518215 /nfs/dbraw/zinc/51/82/15/406518215.db2.gz RQNBWNPREYUFAS-CQSZACIVSA-N 2 2 314.433 2.193 10 0 DEAELP Cc1[nH+]c2ccccc2n1CCC(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000548452627 406518218 /nfs/dbraw/zinc/51/82/18/406518218.db2.gz RQNBWNPREYUFAS-CQSZACIVSA-N 2 2 314.433 2.193 10 0 DEAELP CNc1nc(N[C@H](C)CC[NH+](C)C)c(Br)c[nH+]1 ZINC000131210608 196150338 /nfs/dbraw/zinc/15/03/38/196150338.db2.gz YINZVUVEWSOPDK-MRVPVSSYSA-N 2 2 302.220 2.033 10 0 DEAELP COC[C@@H](C)[C@H](C[NH3+])[N@H+](C)Cc1cccc(Br)c1 ZINC000131958542 196213500 /nfs/dbraw/zinc/21/35/00/196213500.db2.gz FHNWKSMDWXJNEI-RISCZKNCSA-N 2 2 315.255 2.491 10 0 DEAELP COC[C@@H](C)[C@H](C[NH3+])[N@@H+](C)Cc1cccc(Br)c1 ZINC000131958542 196213502 /nfs/dbraw/zinc/21/35/02/196213502.db2.gz FHNWKSMDWXJNEI-RISCZKNCSA-N 2 2 315.255 2.491 10 0 DEAELP CNc1nc(NC[C@H]2CCC[N@H+](C)C2)c(Br)c[nH+]1 ZINC000131952874 196213826 /nfs/dbraw/zinc/21/38/26/196213826.db2.gz GHGFHWZIOBCDGJ-SECBINFHSA-N 2 2 314.231 2.035 10 0 DEAELP CNc1nc(NC[C@H]2CCC[N@@H+](C)C2)c(Br)c[nH+]1 ZINC000131952874 196213828 /nfs/dbraw/zinc/21/38/28/196213828.db2.gz GHGFHWZIOBCDGJ-SECBINFHSA-N 2 2 314.231 2.035 10 0 DEAELP NC(=O)N1CCC([NH2+]C[C@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000134144085 196365032 /nfs/dbraw/zinc/36/50/32/196365032.db2.gz WECRQMDKWZKODV-CQSZACIVSA-N 2 2 322.478 2.018 10 0 DEAELP CCO[C@@H]1C[N@H+](Cc2ccccc2Br)C[C@H]1C[NH3+] ZINC000405262032 424930495 /nfs/dbraw/zinc/93/04/95/424930495.db2.gz PYOGVDZHCYKXTG-TZMCWYRMSA-N 2 2 313.239 2.245 10 0 DEAELP CCO[C@@H]1C[N@@H+](Cc2ccccc2Br)C[C@H]1C[NH3+] ZINC000405262032 424930497 /nfs/dbraw/zinc/93/04/97/424930497.db2.gz PYOGVDZHCYKXTG-TZMCWYRMSA-N 2 2 313.239 2.245 10 0 DEAELP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000310733491 424894722 /nfs/dbraw/zinc/89/47/22/424894722.db2.gz FOMWXYLMADTYLK-SMDDNHRTSA-N 2 2 315.255 2.412 10 0 DEAELP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000310733491 424894723 /nfs/dbraw/zinc/89/47/23/424894723.db2.gz FOMWXYLMADTYLK-SMDDNHRTSA-N 2 2 315.255 2.412 10 0 DEAELP CN(C)c1nc(N2CC[NH+]([C@@H]3C[C@@H]3c3ccccc3)CC2)cc[nH+]1 ZINC000361307366 273825334 /nfs/dbraw/zinc/82/53/34/273825334.db2.gz GEVAGRKKQSOJER-IAGOWNOFSA-N 2 2 323.444 2.221 10 0 DEAELP C[C@H]([NH3+])CCC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000248829923 278225342 /nfs/dbraw/zinc/22/53/42/278225342.db2.gz BBABUDVZZDSHGF-NEPJUHHUSA-N 2 2 310.467 2.441 10 0 DEAELP C[C@H]([NH3+])CCC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000248829923 278225343 /nfs/dbraw/zinc/22/53/43/278225343.db2.gz BBABUDVZZDSHGF-NEPJUHHUSA-N 2 2 310.467 2.441 10 0 DEAELP COC[C@@H](C)C[NH+]1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000189591726 333150846 /nfs/dbraw/zinc/15/08/46/333150846.db2.gz ANCHDBLJBMMACW-AWEZNQCLSA-N 2 2 306.454 2.313 10 0 DEAELP CC(C)c1cc(N2CC[N@@H+]3CCOC[C@H]3C2)nc(C(C)C)[nH+]1 ZINC000371808282 519833206 /nfs/dbraw/zinc/83/32/06/519833206.db2.gz HLIUMNOXSMQFCF-CQSZACIVSA-N 2 2 304.438 2.244 10 0 DEAELP CC(C)c1cc(N2CC[N@H+]3CCOC[C@H]3C2)nc(C(C)C)[nH+]1 ZINC000371808282 519833207 /nfs/dbraw/zinc/83/32/07/519833207.db2.gz HLIUMNOXSMQFCF-CQSZACIVSA-N 2 2 304.438 2.244 10 0 DEAELP CCOc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261758027 535532655 /nfs/dbraw/zinc/53/26/55/535532655.db2.gz LORHHMXNHUVFDJ-CZUORRHYSA-N 2 2 319.449 2.472 10 0 DEAELP CCOc1ccccc1NC(=O)[C@@H](C)[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261758027 535532658 /nfs/dbraw/zinc/53/26/58/535532658.db2.gz LORHHMXNHUVFDJ-CZUORRHYSA-N 2 2 319.449 2.472 10 0 DEAELP Cc1nc(NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)nc(N)[nH+]1 ZINC000309743495 625547213 /nfs/dbraw/zinc/54/72/13/625547213.db2.gz SRPISSRFRLVZLF-QGZVFWFLSA-N 2 2 312.421 2.086 10 0 DEAELP Cc1nc(NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)nc(N)[nH+]1 ZINC000309743495 625547217 /nfs/dbraw/zinc/54/72/17/625547217.db2.gz SRPISSRFRLVZLF-QGZVFWFLSA-N 2 2 312.421 2.086 10 0 DEAELP CC(C)[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000738949896 637545203 /nfs/dbraw/zinc/54/52/03/637545203.db2.gz DEBPQILFDMUWPH-ZDUSSCGKSA-N 2 2 301.394 2.186 10 0 DEAELP CC(C)[N@H+]1CC[C@@H](CNC(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000738949896 637545208 /nfs/dbraw/zinc/54/52/08/637545208.db2.gz DEBPQILFDMUWPH-ZDUSSCGKSA-N 2 2 301.394 2.186 10 0 DEAELP C[C@@H]1C[C@@H]([NH2+]CC[NH+]2CCCC2)CN(C(=O)OC(C)(C)C)C1 ZINC000401719635 801845252 /nfs/dbraw/zinc/84/52/52/801845252.db2.gz MVVJIWABFBIGBD-HUUCEWRRSA-N 2 2 311.470 2.317 10 0 DEAELP O[C@H](C[NH2+]Cc1cccs1)C[N@@H+]1CCc2ccccc2C1 ZINC000075777466 1080253279 /nfs/dbraw/zinc/25/32/79/1080253279.db2.gz CORGGULURQUENN-MRXNPFEDSA-N 2 2 302.443 2.257 10 0 DEAELP O[C@H](C[NH2+]Cc1cccs1)C[N@H+]1CCc2ccccc2C1 ZINC000075777466 1080253290 /nfs/dbraw/zinc/25/32/90/1080253290.db2.gz CORGGULURQUENN-MRXNPFEDSA-N 2 2 302.443 2.257 10 0 DEAELP COC(C[N@H+]1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1)OC ZINC000705662608 1086622008 /nfs/dbraw/zinc/62/20/08/1086622008.db2.gz LSFDWQATQWEMIA-KDURUIRLSA-N 2 2 318.461 2.449 10 0 DEAELP COC(C[N@@H+]1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1)OC ZINC000705662608 1086622012 /nfs/dbraw/zinc/62/20/12/1086622012.db2.gz LSFDWQATQWEMIA-KDURUIRLSA-N 2 2 318.461 2.449 10 0 DEAELP COC(C[NH+]1C[C@@]2(C)C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1)OC ZINC000705662608 1086622018 /nfs/dbraw/zinc/62/20/18/1086622018.db2.gz LSFDWQATQWEMIA-KDURUIRLSA-N 2 2 318.461 2.449 10 0 DEAELP COC(C[NH+]1C[C@@]2(C)C[N@H+](Cc3ccccc3)C[C@@]2(C)C1)OC ZINC000705662608 1086622022 /nfs/dbraw/zinc/62/20/22/1086622022.db2.gz LSFDWQATQWEMIA-KDURUIRLSA-N 2 2 318.461 2.449 10 0 DEAELP C[NH+]1CCC(CNC(=O)NCCC2CC2)([NH+]2CCCCC2)CC1 ZINC000074767183 185016768 /nfs/dbraw/zinc/01/67/68/185016768.db2.gz PPYYXKSSVVQVIY-UHFFFAOYSA-N 2 2 322.497 2.036 10 0 DEAELP COc1cc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)ccc1F ZINC000153153192 282162574 /nfs/dbraw/zinc/16/25/74/282162574.db2.gz NTFNOGGGCGRCPP-UKRRQHHQSA-N 2 2 310.413 2.332 10 0 DEAELP C[NH2+]CCC(=O)N1CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC000262365648 290641144 /nfs/dbraw/zinc/64/11/44/290641144.db2.gz KZNMQZDOPCBNIH-CYBMUJFWSA-N 2 2 309.841 2.155 10 0 DEAELP C[C@@H]1[C@H]2C[NH2+]C[C@@H]2C[N@@H+]1Cc1cc(Cl)cc2c1OCOC2 ZINC000090327913 185291399 /nfs/dbraw/zinc/29/13/99/185291399.db2.gz GPELVEHTXNAMJI-WDBKCZKBSA-N 2 2 308.809 2.246 10 0 DEAELP C[C@@H]1[C@H]2C[NH2+]C[C@@H]2C[N@H+]1Cc1cc(Cl)cc2c1OCOC2 ZINC000090327913 185291400 /nfs/dbraw/zinc/29/14/00/185291400.db2.gz GPELVEHTXNAMJI-WDBKCZKBSA-N 2 2 308.809 2.246 10 0 DEAELP CC1(C)[C@H]2C[NH2+]C[C@H]2C[N@@H+]1Cc1nnc(-c2cccs2)o1 ZINC000090338198 185291990 /nfs/dbraw/zinc/29/19/90/185291990.db2.gz LYZGDGFMZWMVSP-QWRGUYRKSA-N 2 2 304.419 2.228 10 0 DEAELP CC1(C)[C@H]2C[NH2+]C[C@H]2C[N@H+]1Cc1nnc(-c2cccs2)o1 ZINC000090338198 185291991 /nfs/dbraw/zinc/29/19/91/185291991.db2.gz LYZGDGFMZWMVSP-QWRGUYRKSA-N 2 2 304.419 2.228 10 0 DEAELP NC(=O)c1csc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000092812889 185343239 /nfs/dbraw/zinc/34/32/39/185343239.db2.gz WVABAKBHCTTYMI-LBPRGKRZSA-N 2 2 316.430 2.176 10 0 DEAELP NC(=O)c1csc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000092812889 185343240 /nfs/dbraw/zinc/34/32/40/185343240.db2.gz WVABAKBHCTTYMI-LBPRGKRZSA-N 2 2 316.430 2.176 10 0 DEAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(Cc2c[nH+]cn2C)C1 ZINC000190470206 282321476 /nfs/dbraw/zinc/32/14/76/282321476.db2.gz JNQOIGMOXYCQEW-CQSZACIVSA-N 2 2 319.478 2.139 10 0 DEAELP Cc1ncsc1C[N@H+](C)C[C@H]1CCN(Cc2c[nH+]cn2C)C1 ZINC000190470206 282321479 /nfs/dbraw/zinc/32/14/79/282321479.db2.gz JNQOIGMOXYCQEW-CQSZACIVSA-N 2 2 319.478 2.139 10 0 DEAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2nnc(-c3ccco3)o2)[C@@H](C)C1 ZINC000245423854 282387159 /nfs/dbraw/zinc/38/71/59/282387159.db2.gz JSGKYQRHYGATQI-QWHCGFSZSA-N 2 2 304.394 2.492 10 0 DEAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2nnc(-c3ccco3)o2)[C@@H](C)C1 ZINC000245423854 282387160 /nfs/dbraw/zinc/38/71/60/282387160.db2.gz JSGKYQRHYGATQI-QWHCGFSZSA-N 2 2 304.394 2.492 10 0 DEAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2nnc(-c3ccco3)o2)[C@@H](C)C1 ZINC000245423854 282387161 /nfs/dbraw/zinc/38/71/61/282387161.db2.gz JSGKYQRHYGATQI-QWHCGFSZSA-N 2 2 304.394 2.492 10 0 DEAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2nnc(-c3ccco3)o2)[C@@H](C)C1 ZINC000245423854 282387162 /nfs/dbraw/zinc/38/71/62/282387162.db2.gz JSGKYQRHYGATQI-QWHCGFSZSA-N 2 2 304.394 2.492 10 0 DEAELP O[C@@H](C[NH2+][C@@H]1CCCOc2cc(F)ccc21)C[NH+]1CCCCC1 ZINC000181987810 199371547 /nfs/dbraw/zinc/37/15/47/199371547.db2.gz AYQGSKTXQKISEQ-DOTOQJQBSA-N 2 2 322.424 2.476 10 0 DEAELP CC(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000181987729 199372020 /nfs/dbraw/zinc/37/20/20/199372020.db2.gz QVFLABPYUKXXRH-KBXCAEBGSA-N 2 2 319.449 2.142 10 0 DEAELP c1cc2cnccc2c(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000183358492 539662153 /nfs/dbraw/zinc/66/21/53/539662153.db2.gz JUVPMVBAEYNTRZ-MRXNPFEDSA-N 2 2 311.429 2.389 10 0 DEAELP c1cc2cnccc2c(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000183358492 539662156 /nfs/dbraw/zinc/66/21/56/539662156.db2.gz JUVPMVBAEYNTRZ-MRXNPFEDSA-N 2 2 311.429 2.389 10 0 DEAELP CCC[C@@H](C(=O)NCc1ccccc1-n1cc[nH+]c1)[NH+](C)C ZINC000138492826 186017009 /nfs/dbraw/zinc/01/70/09/186017009.db2.gz NREUIOZBGBBKOS-INIZCTEOSA-N 2 2 300.406 2.219 10 0 DEAELP C[NH2+][C@H](c1ccc(Br)cn1)c1c(C)cc[nH+]c1N ZINC000140206467 186026080 /nfs/dbraw/zinc/02/60/80/186026080.db2.gz ITGWDRZGRGXSTH-GFCCVEGCSA-N 2 2 307.195 2.439 10 0 DEAELP C[C@@H]1OCC[C@]1(C[NH3+])[N@H+](C)Cc1cccc(Br)c1 ZINC000147945868 186042290 /nfs/dbraw/zinc/04/22/90/186042290.db2.gz KKDMBLKZHZWMQQ-SMDDNHRTSA-N 2 2 313.239 2.387 10 0 DEAELP C[C@@H]1OCC[C@]1(C[NH3+])[N@@H+](C)Cc1cccc(Br)c1 ZINC000147945868 186042291 /nfs/dbraw/zinc/04/22/91/186042291.db2.gz KKDMBLKZHZWMQQ-SMDDNHRTSA-N 2 2 313.239 2.387 10 0 DEAELP Nc1cc(Br)cc(C[NH2+][C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000148010596 186042751 /nfs/dbraw/zinc/04/27/51/186042751.db2.gz LHJWGTSRVZYCQI-ZDUSSCGKSA-N 2 2 310.239 2.358 10 0 DEAELP Nc1cc(Br)cc(C[NH2+][C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000148010596 186042752 /nfs/dbraw/zinc/04/27/52/186042752.db2.gz LHJWGTSRVZYCQI-ZDUSSCGKSA-N 2 2 310.239 2.358 10 0 DEAELP Cc1nc(N2C[C@H]([NH+](C)C)[C@@H](C)C2)c(Br)c(C)[nH+]1 ZINC000322942533 539903456 /nfs/dbraw/zinc/90/34/56/539903456.db2.gz IEJYATQBRWEXOT-KWQFWETISA-N 2 2 313.243 2.242 10 0 DEAELP C[C@@H]([NH2+]Cc1nnc(C2CC2)n1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185666419 356209430 /nfs/dbraw/zinc/20/94/30/356209430.db2.gz DOXZFJZSXGAHNZ-HIFRSBDPSA-N 2 2 317.481 2.435 10 0 DEAELP C[C@@H]([NH2+]Cc1nnc(C2CC2)n1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185666419 356209431 /nfs/dbraw/zinc/20/94/31/356209431.db2.gz DOXZFJZSXGAHNZ-HIFRSBDPSA-N 2 2 317.481 2.435 10 0 DEAELP C[NH2+][C@H](C)c1csc(N2CCN(c3cccc[nH+]3)CC2)n1 ZINC000080804615 192193451 /nfs/dbraw/zinc/19/34/51/192193451.db2.gz QBTIUDJUSOROBJ-GFCCVEGCSA-N 2 2 303.435 2.145 10 0 DEAELP CC[N@H+](Cc1ccccc1)[C@@H](C[NH3+])CNC(=O)OC(C)(C)C ZINC000226184775 356278147 /nfs/dbraw/zinc/27/81/47/356278147.db2.gz BYAKMJGLGHPATI-HNNXBMFYSA-N 2 2 307.438 2.361 10 0 DEAELP C[C@H]([NH2+]CC1([NH+](C)C)CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400512739 283158170 /nfs/dbraw/zinc/15/81/70/283158170.db2.gz MAFNHFLMXBKEDH-UONOGXRCSA-N 2 2 311.470 2.316 10 0 DEAELP c1cn([C@@H]2CCC[N@H+](Cc3cc(-n4cc[nH+]c4)cs3)C2)nn1 ZINC000579829919 357038102 /nfs/dbraw/zinc/03/81/02/357038102.db2.gz XXGMRRAATHZXMP-CYBMUJFWSA-N 2 2 314.418 2.362 10 0 DEAELP CCN(CC)C(=O)C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180676316 199195151 /nfs/dbraw/zinc/19/51/51/199195151.db2.gz FZRUCXHIBIYFOG-CQSZACIVSA-N 2 2 300.406 2.391 10 0 DEAELP CCN(CC)C(=O)C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180676299 199195314 /nfs/dbraw/zinc/19/53/14/199195314.db2.gz FZRUCXHIBIYFOG-AWEZNQCLSA-N 2 2 300.406 2.391 10 0 DEAELP C[C@@H]1CCC[C@H]([C@@H](C[NH3+])[NH+]2CCN(c3nccs3)CC2)C1 ZINC000089608153 192825620 /nfs/dbraw/zinc/82/56/20/192825620.db2.gz WLNLZPKVJYJYJE-QLFBSQMISA-N 2 2 308.495 2.419 10 0 DEAELP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000608364021 361205579 /nfs/dbraw/zinc/20/55/79/361205579.db2.gz UJMJTODEPOZZMB-INIZCTEOSA-N 2 2 316.405 2.066 10 0 DEAELP C=Cn1cc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)cn1 ZINC000194783581 201288463 /nfs/dbraw/zinc/28/84/63/201288463.db2.gz NRJDBBVXRNFFCJ-QGZVFWFLSA-N 2 2 311.433 2.333 10 0 DEAELP C=Cn1cc(C[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)cn1 ZINC000194783581 201288467 /nfs/dbraw/zinc/28/84/67/201288467.db2.gz NRJDBBVXRNFFCJ-QGZVFWFLSA-N 2 2 311.433 2.333 10 0 DEAELP C=Cn1cc(C[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)cn1 ZINC000194783581 201288471 /nfs/dbraw/zinc/28/84/71/201288471.db2.gz NRJDBBVXRNFFCJ-QGZVFWFLSA-N 2 2 311.433 2.333 10 0 DEAELP C=Cn1cc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)cn1 ZINC000194783581 201288473 /nfs/dbraw/zinc/28/84/73/201288473.db2.gz NRJDBBVXRNFFCJ-QGZVFWFLSA-N 2 2 311.433 2.333 10 0 DEAELP C=Cn1cc(C[NH+]2CCC(CC)([NH+]3CCOCC3)CC2)cn1 ZINC000628476116 366861642 /nfs/dbraw/zinc/86/16/42/366861642.db2.gz FBDMOUYHTFACDI-UHFFFAOYSA-N 2 2 304.438 2.060 10 0 DEAELP C[N@H+](Cc1cccc(Cl)c1)[C@H](C[NH3+])CC(=O)N1CCCC1 ZINC000091323352 193040598 /nfs/dbraw/zinc/04/05/98/193040598.db2.gz JTJAPCPDEDXLFU-HNNXBMFYSA-N 2 2 309.841 2.112 10 0 DEAELP C[N@@H+](Cc1cccc(Cl)c1)[C@H](C[NH3+])CC(=O)N1CCCC1 ZINC000091323352 193040601 /nfs/dbraw/zinc/04/06/01/193040601.db2.gz JTJAPCPDEDXLFU-HNNXBMFYSA-N 2 2 309.841 2.112 10 0 DEAELP C[N@H+](CC1CC(O)C1)[C@@H](C[NH3+])c1cccc(Br)c1 ZINC000091459718 193059647 /nfs/dbraw/zinc/05/96/47/193059647.db2.gz YEXKQGNCMBCEFB-DBRPNBKGSA-N 2 2 313.239 2.152 10 0 DEAELP C[N@@H+](CC1CC(O)C1)[C@@H](C[NH3+])c1cccc(Br)c1 ZINC000091459718 193059648 /nfs/dbraw/zinc/05/96/48/193059648.db2.gz YEXKQGNCMBCEFB-DBRPNBKGSA-N 2 2 313.239 2.152 10 0 DEAELP C[NH2+][C@H](CCCS(C)(=O)=O)C1([NH+]2CCCCC2)CCCC1 ZINC000091642194 193082813 /nfs/dbraw/zinc/08/28/13/193082813.db2.gz SBPSAOJNFGYUJF-OAHLLOKOSA-N 2 2 316.511 2.198 10 0 DEAELP CC(C)(C[N@@H+]1CCC[NH2+][C@H](C2CCCCC2)C1)S(C)(=O)=O ZINC000093525725 193263867 /nfs/dbraw/zinc/26/38/67/193263867.db2.gz YUZYTODBSDZKTC-HNNXBMFYSA-N 2 2 316.511 2.054 10 0 DEAELP CC(C)(C[N@H+]1CCC[NH2+][C@H](C2CCCCC2)C1)S(C)(=O)=O ZINC000093525725 193263869 /nfs/dbraw/zinc/26/38/69/193263869.db2.gz YUZYTODBSDZKTC-HNNXBMFYSA-N 2 2 316.511 2.054 10 0 DEAELP C[N@H+](CC(=O)Nc1ccc(Cl)cc1F)CC(C)(C)C[NH3+] ZINC000093874217 193322475 /nfs/dbraw/zinc/32/24/75/193322475.db2.gz UCFFUDJMVRWQHE-UHFFFAOYSA-N 2 2 301.793 2.334 10 0 DEAELP C[N@@H+](CC(=O)Nc1ccc(Cl)cc1F)CC(C)(C)C[NH3+] ZINC000093874217 193322477 /nfs/dbraw/zinc/32/24/77/193322477.db2.gz UCFFUDJMVRWQHE-UHFFFAOYSA-N 2 2 301.793 2.334 10 0 DEAELP CCC[NH2+][C@H]1CCCc2sc([C@H]3C[N@H+](C)CCN3C)nc21 ZINC000093896272 193325699 /nfs/dbraw/zinc/32/56/99/193325699.db2.gz PRMZQGUWIPVGMH-QWHCGFSZSA-N 2 2 308.495 2.438 10 0 DEAELP CCC[NH2+][C@H]1CCCc2sc([C@H]3C[N@@H+](C)CCN3C)nc21 ZINC000093896272 193325701 /nfs/dbraw/zinc/32/57/01/193325701.db2.gz PRMZQGUWIPVGMH-QWHCGFSZSA-N 2 2 308.495 2.438 10 0 DEAELP C[N@@H+]1CCO[C@H](c2nc(-c3ccccc3)c(CC[NH3+])s2)C1 ZINC000094198737 193348628 /nfs/dbraw/zinc/34/86/28/193348628.db2.gz SJLDFBIZVUYWEU-ZDUSSCGKSA-N 2 2 303.431 2.314 10 0 DEAELP C[N@H+]1CCO[C@H](c2nc(-c3ccccc3)c(CC[NH3+])s2)C1 ZINC000094198737 193348630 /nfs/dbraw/zinc/34/86/30/193348630.db2.gz SJLDFBIZVUYWEU-ZDUSSCGKSA-N 2 2 303.431 2.314 10 0 DEAELP CCC[NH2+][C@H](Cc1ccc(Cl)cc1)[C@@H]1C[NH+]2CCN1CC2 ZINC000094510753 193375606 /nfs/dbraw/zinc/37/56/06/193375606.db2.gz XNNRQDIKZGKRFU-SJORKVTESA-N 2 2 307.869 2.251 10 0 DEAELP c1ccc(C[N@H+]2CC[C@H](SCC[NH+]3CCOCC3)C2)cc1 ZINC000283007557 217384240 /nfs/dbraw/zinc/38/42/40/217384240.db2.gz LERZMRXFNVSQMU-KRWDZBQOSA-N 2 2 306.475 2.326 10 0 DEAELP c1ccc(C[N@@H+]2CC[C@H](SCC[NH+]3CCOCC3)C2)cc1 ZINC000283007557 217384242 /nfs/dbraw/zinc/38/42/42/217384242.db2.gz LERZMRXFNVSQMU-KRWDZBQOSA-N 2 2 306.475 2.326 10 0 DEAELP CC(C)[N@H+](CC[NH3+])CCOc1cccc(Br)c1 ZINC000042428505 183269593 /nfs/dbraw/zinc/26/95/93/183269593.db2.gz IVQQSXKLEKUWAR-UHFFFAOYSA-N 2 2 301.228 2.497 10 0 DEAELP CC(C)[N@@H+](CC[NH3+])CCOc1cccc(Br)c1 ZINC000042428505 183269594 /nfs/dbraw/zinc/26/95/94/183269594.db2.gz IVQQSXKLEKUWAR-UHFFFAOYSA-N 2 2 301.228 2.497 10 0 DEAELP CC[C@@H]([NH3+])[C@@H](c1ccccc1Cl)[NH+]1CCC(C(N)=O)CC1 ZINC000043051057 183332886 /nfs/dbraw/zinc/33/28/86/183332886.db2.gz NEJRQMQAZHCYCB-HUUCEWRRSA-N 2 2 309.841 2.316 10 0 DEAELP Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000284497593 218052593 /nfs/dbraw/zinc/05/25/93/218052593.db2.gz CGJZOGMJQAFHHW-CZUORRHYSA-N 2 2 312.417 2.102 10 0 DEAELP Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000284497593 218052596 /nfs/dbraw/zinc/05/25/96/218052596.db2.gz CGJZOGMJQAFHHW-CZUORRHYSA-N 2 2 312.417 2.102 10 0 DEAELP CC[NH2+][C@H]1CCCC[C@H]1C[NH+]1CCN(c2nccs2)CC1 ZINC000060743421 184155458 /nfs/dbraw/zinc/15/54/58/184155458.db2.gz XXANTIFXPYCVTI-GJZGRUSLSA-N 2 2 308.495 2.433 10 0 DEAELP CC[NH2+][C@@H]1CCCC[C@@H]1C[NH+]1CCN(c2nccs2)CC1 ZINC000060743415 184155470 /nfs/dbraw/zinc/15/54/70/184155470.db2.gz XXANTIFXPYCVTI-HUUCEWRRSA-N 2 2 308.495 2.433 10 0 DEAELP O=C(C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)Nc1ccccc1Cl ZINC000157980108 197232246 /nfs/dbraw/zinc/23/22/46/197232246.db2.gz IULXHKLTLQIOBA-QWHCGFSZSA-N 2 2 307.825 2.495 10 0 DEAELP O=C(C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)Nc1ccccc1Cl ZINC000157980108 197232247 /nfs/dbraw/zinc/23/22/47/197232247.db2.gz IULXHKLTLQIOBA-QWHCGFSZSA-N 2 2 307.825 2.495 10 0 DEAELP CCc1[nH+]c2ccccc2n1CC(=O)N(C)CCC[NH+](C)C ZINC000544871052 285380258 /nfs/dbraw/zinc/38/02/58/285380258.db2.gz IHFMIJAMOIIRSC-UHFFFAOYSA-N 2 2 302.422 2.009 10 0 DEAELP C[C@H]([NH2+]CCc1cn(C)c[nH+]1)c1ccc(Br)cn1 ZINC000562738389 292007499 /nfs/dbraw/zinc/00/74/99/292007499.db2.gz VVSUYDGPWZQYLI-JTQLQIEISA-N 2 2 309.211 2.471 10 0 DEAELP CC(C)CNC(=O)c1cccc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1 ZINC000193639150 145087892 /nfs/dbraw/zinc/08/78/92/145087892.db2.gz IZFPJGNNPYUYPW-HDICACEKSA-N 2 2 315.461 2.066 10 0 DEAELP CC(C)CNC(=O)c1cccc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1 ZINC000193639150 145087895 /nfs/dbraw/zinc/08/78/95/145087895.db2.gz IZFPJGNNPYUYPW-HDICACEKSA-N 2 2 315.461 2.066 10 0 DEAELP CC(C)CNC(=O)c1cccc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c1 ZINC000193639150 145087898 /nfs/dbraw/zinc/08/78/98/145087898.db2.gz IZFPJGNNPYUYPW-HDICACEKSA-N 2 2 315.461 2.066 10 0 DEAELP CC(C)CNC(=O)c1cccc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c1 ZINC000193639150 145087900 /nfs/dbraw/zinc/08/79/00/145087900.db2.gz IZFPJGNNPYUYPW-HDICACEKSA-N 2 2 315.461 2.066 10 0 DEAELP Cc1ccc(CNC(=O)C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000246668740 145109876 /nfs/dbraw/zinc/10/98/76/145109876.db2.gz JJIXGZUOPGMBKJ-RDJZCZTQSA-N 2 2 303.450 2.026 10 0 DEAELP Cc1ccc(CNC(=O)C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000246668740 145109877 /nfs/dbraw/zinc/10/98/77/145109877.db2.gz JJIXGZUOPGMBKJ-RDJZCZTQSA-N 2 2 303.450 2.026 10 0 DEAELP Cc1ccc(CNC(=O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000246668740 145109879 /nfs/dbraw/zinc/10/98/79/145109879.db2.gz JJIXGZUOPGMBKJ-RDJZCZTQSA-N 2 2 303.450 2.026 10 0 DEAELP Cc1ccc(CNC(=O)C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000246668740 145109881 /nfs/dbraw/zinc/10/98/81/145109881.db2.gz JJIXGZUOPGMBKJ-RDJZCZTQSA-N 2 2 303.450 2.026 10 0 DEAELP C[C@@H]1CC[N@H+](CC(=O)N2CCc3ccccc32)C[C@H]1n1cc[nH+]c1 ZINC000247005604 145123270 /nfs/dbraw/zinc/12/32/70/145123270.db2.gz DBYCUDDOCUDOGZ-CRAIPNDOSA-N 2 2 324.428 2.355 10 0 DEAELP C[C@@H]1CC[N@@H+](CC(=O)N2CCc3ccccc32)C[C@H]1n1cc[nH+]c1 ZINC000247005604 145123271 /nfs/dbraw/zinc/12/32/71/145123271.db2.gz DBYCUDDOCUDOGZ-CRAIPNDOSA-N 2 2 324.428 2.355 10 0 DEAELP c1c(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)nc2ncccn12 ZINC000247056625 145124931 /nfs/dbraw/zinc/12/49/31/145124931.db2.gz ZMYFPNMAZGZBDN-YOEHRIQHSA-N 2 2 311.433 2.178 10 0 DEAELP c1c(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)nc2ncccn12 ZINC000247056625 145124932 /nfs/dbraw/zinc/12/49/32/145124932.db2.gz ZMYFPNMAZGZBDN-YOEHRIQHSA-N 2 2 311.433 2.178 10 0 DEAELP c1c(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nc2ncccn12 ZINC000247056625 145124934 /nfs/dbraw/zinc/12/49/34/145124934.db2.gz ZMYFPNMAZGZBDN-YOEHRIQHSA-N 2 2 311.433 2.178 10 0 DEAELP c1c(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)nc2ncccn12 ZINC000247056625 145124936 /nfs/dbraw/zinc/12/49/36/145124936.db2.gz ZMYFPNMAZGZBDN-YOEHRIQHSA-N 2 2 311.433 2.178 10 0 DEAELP C[N@H+](CC[C@@H]1CCC[NH+]1C)[C@H]1CCN(c2ccccc2)C1=O ZINC000247117373 145127099 /nfs/dbraw/zinc/12/70/99/145127099.db2.gz MEAQRIBBLMIZCF-RDJZCZTQSA-N 2 2 301.434 2.208 10 0 DEAELP C[N@@H+](CC[C@@H]1CCC[NH+]1C)[C@H]1CCN(c2ccccc2)C1=O ZINC000247117373 145127100 /nfs/dbraw/zinc/12/71/00/145127100.db2.gz MEAQRIBBLMIZCF-RDJZCZTQSA-N 2 2 301.434 2.208 10 0 DEAELP C[NH+](CC[C@@H]1CCC[N@@H+]1C)[C@H]1CCN(c2ccccc2)C1=O ZINC000247117373 145127101 /nfs/dbraw/zinc/12/71/01/145127101.db2.gz MEAQRIBBLMIZCF-RDJZCZTQSA-N 2 2 301.434 2.208 10 0 DEAELP C[NH+](CC[C@@H]1CCC[N@H+]1C)[C@H]1CCN(c2ccccc2)C1=O ZINC000247117373 145127102 /nfs/dbraw/zinc/12/71/02/145127102.db2.gz MEAQRIBBLMIZCF-RDJZCZTQSA-N 2 2 301.434 2.208 10 0 DEAELP C[C@H](C(=O)N1CCCCC1)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000247445164 145137245 /nfs/dbraw/zinc/13/72/45/145137245.db2.gz YHUOMRNCSORCFK-CVEARBPZSA-N 2 2 316.449 2.216 10 0 DEAELP C[C@H](C(=O)N1CCCCC1)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000247445164 145137246 /nfs/dbraw/zinc/13/72/46/145137246.db2.gz YHUOMRNCSORCFK-CVEARBPZSA-N 2 2 316.449 2.216 10 0 DEAELP Cc1ccc(NC(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000247966208 145145433 /nfs/dbraw/zinc/14/54/33/145145433.db2.gz GUPXRNQTGQKDAV-RDJZCZTQSA-N 2 2 301.434 2.350 10 0 DEAELP Cc1ccc(NC(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000247966208 145145434 /nfs/dbraw/zinc/14/54/34/145145434.db2.gz GUPXRNQTGQKDAV-RDJZCZTQSA-N 2 2 301.434 2.350 10 0 DEAELP Cc1ccc(NC(=O)C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000247966208 145145435 /nfs/dbraw/zinc/14/54/35/145145435.db2.gz GUPXRNQTGQKDAV-RDJZCZTQSA-N 2 2 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DEAELP COc1cc(OC)c(OC)cc1C[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000262429680 145283233 /nfs/dbraw/zinc/28/32/33/145283233.db2.gz FSEPHHNMXJIQET-MRXNPFEDSA-N 2 2 308.422 2.272 10 0 DEAELP COc1cc(OC)c(C[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)c(OC)c1 ZINC000262493800 145287326 /nfs/dbraw/zinc/28/73/26/145287326.db2.gz LEXZUMVLQPCOGB-MRXNPFEDSA-N 2 2 308.422 2.272 10 0 DEAELP COc1cc(OC)c(C[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)c(OC)c1 ZINC000262493800 145287327 /nfs/dbraw/zinc/28/73/27/145287327.db2.gz LEXZUMVLQPCOGB-MRXNPFEDSA-N 2 2 308.422 2.272 10 0 DEAELP CC(C)c1ccc(NC(=O)C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000262528163 145290767 /nfs/dbraw/zinc/29/07/67/145290767.db2.gz PDEIOSHBMWHKSI-UAGQMJEPSA-N 2 2 301.434 2.418 10 0 DEAELP CC(C)c1ccc(NC(=O)C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000262528163 145290768 /nfs/dbraw/zinc/29/07/68/145290768.db2.gz PDEIOSHBMWHKSI-UAGQMJEPSA-N 2 2 301.434 2.418 10 0 DEAELP c1cn(-c2csc(C[N@@H+]3CCOC4(CCOCC4)C3)c2)c[nH+]1 ZINC000346162446 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ZINC000369638034 404175489 /nfs/dbraw/zinc/17/54/89/404175489.db2.gz KTHPMEFNJWTZNK-OLZOCXBDSA-N 2 2 318.465 2.237 10 0 DEAELP c1cncc(C[NH2+]CCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000414857272 404750231 /nfs/dbraw/zinc/75/02/31/404750231.db2.gz CHYDDTBYXMVUER-RCCFBDPRSA-N 3 2 302.466 2.072 10 0 DEAELP CCOC[C@@H](O)C[NH2+]C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000379651472 405028214 /nfs/dbraw/zinc/02/82/14/405028214.db2.gz UNVWWDYLQISPCG-ROUUACIJSA-N 2 2 306.450 2.028 10 0 DEAELP CCOC[C@@H](O)C[NH2+]C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000379651472 405028217 /nfs/dbraw/zinc/02/82/17/405028217.db2.gz UNVWWDYLQISPCG-ROUUACIJSA-N 2 2 306.450 2.028 10 0 DEAELP CC(C)OC[C@@H](O)C[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000390631185 405045606 /nfs/dbraw/zinc/04/56/06/405045606.db2.gz AKDZHNZTBGDHTC-MSOLQXFVSA-N 2 2 306.450 2.027 10 0 DEAELP CC(C)OC[C@@H](O)C[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000390631185 405045613 /nfs/dbraw/zinc/04/56/13/405045613.db2.gz AKDZHNZTBGDHTC-MSOLQXFVSA-N 2 2 306.450 2.027 10 0 DEAELP COC1([C@@H](C)[NH2+]CCc2cn3ccccc3[nH+]2)CCOCC1 ZINC000453098859 405283491 /nfs/dbraw/zinc/28/34/91/405283491.db2.gz XCSJQEKVPWVCHW-CQSZACIVSA-N 2 2 303.406 2.051 10 0 DEAELP c1cc(C[NH+]2CCOCC2)cc(C[N@@H+]2CCCSCC2)c1 ZINC000420955562 405414684 /nfs/dbraw/zinc/41/46/84/405414684.db2.gz XYMRYDNUAUPSGP-UHFFFAOYSA-N 2 2 306.475 2.458 10 0 DEAELP c1cc(C[NH+]2CCOCC2)cc(C[N@H+]2CCCSCC2)c1 ZINC000420955562 405414686 /nfs/dbraw/zinc/41/46/86/405414686.db2.gz XYMRYDNUAUPSGP-UHFFFAOYSA-N 2 2 306.475 2.458 10 0 DEAELP CCn1nncc1C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000459364867 405874634 /nfs/dbraw/zinc/87/46/34/405874634.db2.gz SVPAMRFMRSXFOU-KRWDZBQOSA-N 2 2 313.449 2.252 10 0 DEAELP CCn1nncc1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000459364867 405874640 /nfs/dbraw/zinc/87/46/40/405874640.db2.gz SVPAMRFMRSXFOU-KRWDZBQOSA-N 2 2 313.449 2.252 10 0 DEAELP CCn1nncc1C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000459364867 405874643 /nfs/dbraw/zinc/87/46/43/405874643.db2.gz SVPAMRFMRSXFOU-KRWDZBQOSA-N 2 2 313.449 2.252 10 0 DEAELP CCn1nncc1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000459364867 405874648 /nfs/dbraw/zinc/87/46/48/405874648.db2.gz SVPAMRFMRSXFOU-KRWDZBQOSA-N 2 2 313.449 2.252 10 0 DEAELP CC(=O)c1ccccc1OCC[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000516867679 424821028 /nfs/dbraw/zinc/82/10/28/424821028.db2.gz LEHINWBFIYSEIQ-GOSISDBHSA-N 2 2 302.418 2.344 10 0 DEAELP CC(=O)c1ccccc1OCC[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000516867679 424821030 /nfs/dbraw/zinc/82/10/30/424821030.db2.gz LEHINWBFIYSEIQ-GOSISDBHSA-N 2 2 302.418 2.344 10 0 DEAELP c1cc(C[N@@H+]2CCOC3(CCC3)C2)ccc1C[NH+]1CCOCC1 ZINC000420949545 424977716 /nfs/dbraw/zinc/97/77/16/424977716.db2.gz QSSYLAWBOINFFH-UHFFFAOYSA-N 2 2 316.445 2.274 10 0 DEAELP c1cc(C[N@H+]2CCOC3(CCC3)C2)ccc1C[NH+]1CCOCC1 ZINC000420949545 424977718 /nfs/dbraw/zinc/97/77/18/424977718.db2.gz QSSYLAWBOINFFH-UHFFFAOYSA-N 2 2 316.445 2.274 10 0 DEAELP CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@H](c2cc[nH+]c(N)c2)C1 ZINC000616620680 425098221 /nfs/dbraw/zinc/09/82/21/425098221.db2.gz KGPULXUDULEGHZ-AWEZNQCLSA-N 2 2 320.437 2.368 10 0 DEAELP CC(C)(C)OC(=O)NCC[N@H+]1CCC[C@H](c2cc[nH+]c(N)c2)C1 ZINC000616620680 425098223 /nfs/dbraw/zinc/09/82/23/425098223.db2.gz KGPULXUDULEGHZ-AWEZNQCLSA-N 2 2 320.437 2.368 10 0 DEAELP CC(C)Cn1cc[nH+]c1CNC(=O)NCCC1CC[NH+](C)CC1 ZINC000174712823 267504974 /nfs/dbraw/zinc/50/49/74/267504974.db2.gz BNXCEFGBKKSKTG-UHFFFAOYSA-N 2 2 321.469 2.070 10 0 DEAELP O=C([C@@H]1CCCn2cc[nH+]c21)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000081795640 275005407 /nfs/dbraw/zinc/00/54/07/275005407.db2.gz LUDPEEUTIXHMMS-MRXNPFEDSA-N 2 2 316.449 2.237 10 0 DEAELP O=C([C@@H]1CCCn2cc[nH+]c21)N1CCC[N@H+](C2CCCC2)CC1 ZINC000081795640 275005408 /nfs/dbraw/zinc/00/54/08/275005408.db2.gz LUDPEEUTIXHMMS-MRXNPFEDSA-N 2 2 316.449 2.237 10 0 DEAELP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)[C@H](C)C1 ZINC000370477428 276223422 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DEAELP C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261797959 278212828 /nfs/dbraw/zinc/21/28/28/278212828.db2.gz VOANTJOLQLZOII-OLMNGRFOSA-N 2 2 309.498 2.375 10 0 DEAELP C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261797959 278212829 /nfs/dbraw/zinc/21/28/29/278212829.db2.gz VOANTJOLQLZOII-OLMNGRFOSA-N 2 2 309.498 2.375 10 0 DEAELP CN(C)c1[nH+]cccc1CNC(=O)CC1(C[NH3+])CCCCC1 ZINC000184224190 289438358 /nfs/dbraw/zinc/43/83/58/289438358.db2.gz IXJVCKXKTNRQQN-UHFFFAOYSA-N 2 2 304.438 2.063 10 0 DEAELP CC(C)(C)OC(=O)NCC[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000130551903 518829648 /nfs/dbraw/zinc/82/96/48/518829648.db2.gz FKTOVUZRPDWYNV-CQSZACIVSA-N 2 2 320.437 2.340 10 0 DEAELP CC(C)(C)OC(=O)NCC[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000130551903 518829654 /nfs/dbraw/zinc/82/96/54/518829654.db2.gz FKTOVUZRPDWYNV-CQSZACIVSA-N 2 2 320.437 2.340 10 0 DEAELP CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@H+](CCn3cc[nH+]c3)C[C@H]21 ZINC000248638095 534896071 /nfs/dbraw/zinc/89/60/71/534896071.db2.gz YNSFERASDMJBGD-RRFJBIMHSA-N 2 2 320.437 2.118 10 0 DEAELP CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@@H+](CCn3cc[nH+]c3)C[C@H]21 ZINC000248638095 534896073 /nfs/dbraw/zinc/89/60/73/534896073.db2.gz YNSFERASDMJBGD-RRFJBIMHSA-N 2 2 320.437 2.118 10 0 DEAELP CC(=O)c1ccc(NC(=O)CC[NH+]2CCC3(CC[NH2+]3)CC2)cc1 ZINC000422632991 527296847 /nfs/dbraw/zinc/29/68/47/527296847.db2.gz HPYPQYWDJXFQHY-UHFFFAOYSA-N 2 2 315.417 2.046 10 0 DEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)N2CCC[C@@H](C)C2)C1 ZINC000247394218 536173654 /nfs/dbraw/zinc/17/36/54/536173654.db2.gz XOBWFMNUWIAWJA-HZPDHXFCSA-N 2 2 318.465 2.341 10 0 DEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)N2CCC[C@@H](C)C2)C1 ZINC000247394218 536173659 /nfs/dbraw/zinc/17/36/59/536173659.db2.gz XOBWFMNUWIAWJA-HZPDHXFCSA-N 2 2 318.465 2.341 10 0 DEAELP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724623494 787351911 /nfs/dbraw/zinc/35/19/11/787351911.db2.gz UEVSGVYJVHGTJB-SQNIBIBYSA-N 2 2 318.461 2.291 10 0 DEAELP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724623494 787351915 /nfs/dbraw/zinc/35/19/15/787351915.db2.gz UEVSGVYJVHGTJB-SQNIBIBYSA-N 2 2 318.461 2.291 10 0 DEAELP FC1(F)CC[NH2+]C[C@@H]1C[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000717308424 799377196 /nfs/dbraw/zinc/37/71/96/799377196.db2.gz UGTHERDPRPARLR-MRXNPFEDSA-N 2 2 320.387 2.266 10 0 DEAELP COc1cc([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)ccc1F ZINC000153153106 282162685 /nfs/dbraw/zinc/16/26/85/282162685.db2.gz NTFNOGGGCGRCPP-DZGCQCFKSA-N 2 2 310.413 2.332 10 0 DEAELP [NH3+]C[C@@H]([NH2+]C[C@H]1CCCO1)c1ccc(F)c(Br)c1 ZINC000087928232 185237601 /nfs/dbraw/zinc/23/76/01/185237601.db2.gz IMCXOBCUIMZHEA-ZWNOBZJWSA-N 2 2 317.202 2.357 10 0 DEAELP COC(=O)[C@](C)(CCC[N@H+](C)CCC(F)(F)F)[NH2+]C1CC1 ZINC000088434662 185250084 /nfs/dbraw/zinc/25/00/84/185250084.db2.gz BTFCHJXKJPAHJO-ZDUSSCGKSA-N 2 2 310.360 2.335 10 0 DEAELP COC(=O)[C@](C)(CCC[N@@H+](C)CCC(F)(F)F)[NH2+]C1CC1 ZINC000088434662 185250085 /nfs/dbraw/zinc/25/00/85/185250085.db2.gz BTFCHJXKJPAHJO-ZDUSSCGKSA-N 2 2 310.360 2.335 10 0 DEAELP C[C@H](c1ccc(Br)cc1)[NH+]1CCN(C2C[NH2+]C2)CC1 ZINC000090306484 185290207 /nfs/dbraw/zinc/29/02/07/185290207.db2.gz KOEJJRJYSXMOHS-GFCCVEGCSA-N 2 2 324.266 2.100 10 0 DEAELP CC1(C)[C@@H]2C[NH2+]C[C@@H]2C[N@@H+]1Cc1nc(-c2cccs2)no1 ZINC000090337436 185291927 /nfs/dbraw/zinc/29/19/27/185291927.db2.gz SKGUOASUYSUUCA-GHMZBOCLSA-N 2 2 304.419 2.228 10 0 DEAELP CC1(C)[C@@H]2C[NH2+]C[C@@H]2C[N@H+]1Cc1nc(-c2cccs2)no1 ZINC000090337436 185291928 /nfs/dbraw/zinc/29/19/28/185291928.db2.gz SKGUOASUYSUUCA-GHMZBOCLSA-N 2 2 304.419 2.228 10 0 DEAELP CC1(C)[C@H]2C[NH2+]C[C@H]2C[N@@H+]1CC(=O)Nc1ccc(Cl)cc1 ZINC000090337859 185291969 /nfs/dbraw/zinc/29/19/69/185291969.db2.gz UWENSBTZPNRWBO-FZMZJTMJSA-N 2 2 307.825 2.208 10 0 DEAELP CC1(C)[C@H]2C[NH2+]C[C@H]2C[N@H+]1CC(=O)Nc1ccc(Cl)cc1 ZINC000090337859 185291970 /nfs/dbraw/zinc/29/19/70/185291970.db2.gz UWENSBTZPNRWBO-FZMZJTMJSA-N 2 2 307.825 2.208 10 0 DEAELP CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)CC1 ZINC000616626597 362900717 /nfs/dbraw/zinc/90/07/17/362900717.db2.gz ATLYWKDHZVUDTP-CQSZACIVSA-N 2 2 308.426 2.435 10 0 DEAELP CC(C)(C)OC(=O)NCC[N@H+]1CCC[C@@H](n2cc[nH+]c2)CC1 ZINC000616626597 362900720 /nfs/dbraw/zinc/90/07/20/362900720.db2.gz ATLYWKDHZVUDTP-CQSZACIVSA-N 2 2 308.426 2.435 10 0 DEAELP CC[C@@H]([NH3+])[C@H](c1sccc1C)[NH+]1CCC(NC(C)=O)CC1 ZINC000133698915 186008241 /nfs/dbraw/zinc/00/82/41/186008241.db2.gz ODPBNGRACSQRIF-HUUCEWRRSA-N 2 2 309.479 2.435 10 0 DEAELP Cc1cc(N[C@H](c2[nH+]ccn2C)C2CCOCC2)nc(C)[nH+]1 ZINC000284526778 539823078 /nfs/dbraw/zinc/82/30/78/539823078.db2.gz JKKCANFVMFTPDG-HNNXBMFYSA-N 2 2 301.394 2.407 10 0 DEAELP Cc1[nH+]c2ccccc2n1CC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000172620394 198126006 /nfs/dbraw/zinc/12/60/06/198126006.db2.gz ZOKHPRNALUXJGG-UKRRQHHQSA-N 2 2 314.433 2.286 10 0 DEAELP Cc1[nH+]c2ccccc2n1CC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000172620394 198126008 /nfs/dbraw/zinc/12/60/08/198126008.db2.gz ZOKHPRNALUXJGG-UKRRQHHQSA-N 2 2 314.433 2.286 10 0 DEAELP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000370529476 283126051 /nfs/dbraw/zinc/12/60/51/283126051.db2.gz UDIKHPAWMDWINU-LJISPDSOSA-N 2 2 318.465 2.312 10 0 DEAELP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000370529476 283126057 /nfs/dbraw/zinc/12/60/57/283126057.db2.gz UDIKHPAWMDWINU-LJISPDSOSA-N 2 2 318.465 2.312 10 0 DEAELP CCN(CC)C(=O)[C@H]1CCC[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000179864389 356036460 /nfs/dbraw/zinc/03/64/60/356036460.db2.gz VQHISLLQGZTCJX-OAHLLOKOSA-N 2 2 300.406 2.167 10 0 DEAELP CCN(CC)C(=O)[C@H]1CCC[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000179864389 356036462 /nfs/dbraw/zinc/03/64/62/356036462.db2.gz VQHISLLQGZTCJX-OAHLLOKOSA-N 2 2 300.406 2.167 10 0 DEAELP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2c3ccccc3CCC2(C)C)CC1 ZINC000183201886 356163225 /nfs/dbraw/zinc/16/32/25/356163225.db2.gz QAXXXWVUBWXMBA-GOSISDBHSA-N 2 2 315.461 2.064 10 0 DEAELP C[C@@H]([NH2+]Cc1nnc(C2CC2)n1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185666382 356209475 /nfs/dbraw/zinc/20/94/75/356209475.db2.gz DOXZFJZSXGAHNZ-UKRRQHHQSA-N 2 2 317.481 2.435 10 0 DEAELP C[C@@H]([NH2+]Cc1nnc(C2CC2)n1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185666382 356209476 /nfs/dbraw/zinc/20/94/76/356209476.db2.gz DOXZFJZSXGAHNZ-UKRRQHHQSA-N 2 2 317.481 2.435 10 0 DEAELP COc1cc2nc(NCCC[NH2+]C(C)C)[nH+]c(N)c2cc1OC ZINC000247995212 356321241 /nfs/dbraw/zinc/32/12/41/356321241.db2.gz MDBMSOWTJXCVKA-UHFFFAOYSA-N 2 2 319.409 2.029 10 0 DEAELP [NH3+]C[C@@H]1CN(c2cc(NC3CC3)[nH+]cn2)C[C@H]1c1ccccc1 ZINC000578122851 356765209 /nfs/dbraw/zinc/76/52/09/356765209.db2.gz UIEASKQNBGKTKU-ZBFHGGJFSA-N 2 2 309.417 2.230 10 0 DEAELP [NH3+]C[C@@H]1CN(c2cc(NC3CC3)nc[nH+]2)C[C@H]1c1ccccc1 ZINC000578122851 356765213 /nfs/dbraw/zinc/76/52/13/356765213.db2.gz UIEASKQNBGKTKU-ZBFHGGJFSA-N 2 2 309.417 2.230 10 0 DEAELP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@H]1C[C@@]3(CC[NH2+]C3)Oc3ccccc31)C2 ZINC000579825276 357036323 /nfs/dbraw/zinc/03/63/23/357036323.db2.gz UGWJFGXFWRMWFW-XVGQJIODSA-N 3 2 324.428 2.113 10 0 DEAELP c1[nH]c2c([nH+]1)C[C@H]([NH2+][C@H]1C[C@@]3(CC[NH2+]C3)Oc3ccccc31)CC2 ZINC000579825276 357036326 /nfs/dbraw/zinc/03/63/26/357036326.db2.gz UGWJFGXFWRMWFW-XVGQJIODSA-N 3 2 324.428 2.113 10 0 DEAELP O[C@H](C[NH2+]Cc1ccc(Cl)cc1F)C[NH+]1CCCCC1 ZINC000189278012 200375321 /nfs/dbraw/zinc/37/53/21/200375321.db2.gz KMEFSAUMGRRBGA-CQSZACIVSA-N 2 2 300.805 2.416 10 0 DEAELP Cc1[nH+]ccn1CCCCNC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000608314011 361196541 /nfs/dbraw/zinc/19/65/41/361196541.db2.gz YUDOBOBUBCDRCP-UHFFFAOYSA-N 2 2 312.377 2.441 10 0 DEAELP Cc1cccc(N2CC[NH+](CC[C@@H]3CSCC[NH2+]3)CC2)c1 ZINC000091291983 193033324 /nfs/dbraw/zinc/03/33/24/193033324.db2.gz OMZZZRKWCUNGLC-MRXNPFEDSA-N 2 2 305.491 2.212 10 0 DEAELP CC[NH2+][C@@H](CCCS(C)(=O)=O)C1([NH+](C)C)CCC(C)CC1 ZINC000091649431 193084600 /nfs/dbraw/zinc/08/46/00/193084600.db2.gz FQKWDNQPHLOCCC-PCKAHOCUSA-N 2 2 318.527 2.300 10 0 DEAELP CC[NH2+][C@H](CCCS(C)(=O)=O)C1([NH+](C)C)CCCCCC1 ZINC000091654738 193084716 /nfs/dbraw/zinc/08/47/16/193084716.db2.gz LXZVCVNELGCXII-OAHLLOKOSA-N 2 2 318.527 2.444 10 0 DEAELP CCC[NH2+][C@H](Cc1ccc(CC)s1)[C@@H]1C[NH+]2CCN1CC2 ZINC000094510913 193376197 /nfs/dbraw/zinc/37/61/97/193376197.db2.gz AEZKNSVMOSYGHV-SJORKVTESA-N 2 2 307.507 2.221 10 0 DEAELP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cnc(CC)o2)[C@H](C)C1 ZINC000453391955 245115504 /nfs/dbraw/zinc/11/55/04/245115504.db2.gz QYDDYPNIDKSBEP-ZBFHGGJFSA-N 2 2 309.454 2.464 10 0 DEAELP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cnc(CC)o2)[C@H](C)C1 ZINC000453391955 245115513 /nfs/dbraw/zinc/11/55/13/245115513.db2.gz QYDDYPNIDKSBEP-ZBFHGGJFSA-N 2 2 309.454 2.464 10 0 DEAELP CC[N@H+]([C@H](C)COC)[C@@H](C[NH3+])c1cc2c(c(Cl)c1)OCO2 ZINC000042743070 183304219 /nfs/dbraw/zinc/30/42/19/183304219.db2.gz VIUMHEQWSDOOLR-MFKMUULPSA-N 2 2 314.813 2.425 10 0 DEAELP CC[N@@H+]([C@H](C)COC)[C@@H](C[NH3+])c1cc2c(c(Cl)c1)OCO2 ZINC000042743070 183304222 /nfs/dbraw/zinc/30/42/22/183304222.db2.gz VIUMHEQWSDOOLR-MFKMUULPSA-N 2 2 314.813 2.425 10 0 DEAELP C[C@@H]([NH3+])[C@H](c1ccc(Br)cc1)[N@H+](CCO)C1CC1 ZINC000042955258 183321590 /nfs/dbraw/zinc/32/15/90/183321590.db2.gz XFXYQNWGWOOAII-QMTHXVAHSA-N 2 2 313.239 2.294 10 0 DEAELP C[C@@H]([NH3+])[C@H](c1ccc(Br)cc1)[N@@H+](CCO)C1CC1 ZINC000042955258 183321591 /nfs/dbraw/zinc/32/15/91/183321591.db2.gz XFXYQNWGWOOAII-QMTHXVAHSA-N 2 2 313.239 2.294 10 0 DEAELP COCC[N@H+](C)[C@@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043021241 183329396 /nfs/dbraw/zinc/32/93/96/183329396.db2.gz QBJUTIKQBFNLNR-ZWNOBZJWSA-N 2 2 301.228 2.416 10 0 DEAELP COCC[N@@H+](C)[C@@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043021241 183329397 /nfs/dbraw/zinc/32/93/97/183329397.db2.gz QBJUTIKQBFNLNR-ZWNOBZJWSA-N 2 2 301.228 2.416 10 0 DEAELP CC(C)[N@H+](CCO)[C@@H](C[NH3+])c1cccc(Br)c1 ZINC000043021706 183329421 /nfs/dbraw/zinc/32/94/21/183329421.db2.gz JHJGRGGLWGXVBV-ZDUSSCGKSA-N 2 2 301.228 2.152 10 0 DEAELP CC(C)[N@@H+](CCO)[C@@H](C[NH3+])c1cccc(Br)c1 ZINC000043021706 183329424 /nfs/dbraw/zinc/32/94/24/183329424.db2.gz JHJGRGGLWGXVBV-ZDUSSCGKSA-N 2 2 301.228 2.152 10 0 DEAELP CCC[N@H+](CCO)[C@H](C[NH3+])c1cc(Br)cs1 ZINC000043286606 183350690 /nfs/dbraw/zinc/35/06/90/183350690.db2.gz JKCQUFIBVJBYDE-SNVBAGLBSA-N 2 2 307.257 2.215 10 0 DEAELP CCC[N@@H+](CCO)[C@H](C[NH3+])c1cc(Br)cs1 ZINC000043286606 183350692 /nfs/dbraw/zinc/35/06/92/183350692.db2.gz JKCQUFIBVJBYDE-SNVBAGLBSA-N 2 2 307.257 2.215 10 0 DEAELP COc1ccc(Cl)cc1C[NH+]1CCN(C(C)(C)C[NH3+])CC1 ZINC000109463676 194266053 /nfs/dbraw/zinc/26/60/53/194266053.db2.gz XJWSVQVQEMBCDQ-UHFFFAOYSA-N 2 2 311.857 2.204 10 0 DEAELP Cc1ncc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)s1 ZINC000109756051 194283672 /nfs/dbraw/zinc/28/36/72/194283672.db2.gz AYGZTURYMZQJKF-OAHLLOKOSA-N 2 2 308.495 2.053 10 0 DEAELP Cc1ncc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)s1 ZINC000109756051 194283675 /nfs/dbraw/zinc/28/36/75/194283675.db2.gz AYGZTURYMZQJKF-OAHLLOKOSA-N 2 2 308.495 2.053 10 0 DEAELP C[NH2+][C@@H]1CCCCC[C@@H]1C[NH+]1CCN(CC(F)(F)F)CC1 ZINC000061947736 184197739 /nfs/dbraw/zinc/19/77/39/184197739.db2.gz MRSHISGUQDKDLR-ZIAGYGMSSA-N 2 2 307.404 2.335 10 0 DEAELP CC[NH2+][C@@H]1CCCC[C@@H]1C[NH+]1CCN(CC(F)(F)F)CC1 ZINC000061947760 184198152 /nfs/dbraw/zinc/19/81/52/184198152.db2.gz WACWTWHFDHFEKA-ZIAGYGMSSA-N 2 2 307.404 2.335 10 0 DEAELP CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc2c(s1)C[NH+](C1CC1)C2 ZINC000065238844 184317024 /nfs/dbraw/zinc/31/70/24/184317024.db2.gz IMBABAIXUPGHJC-AWEZNQCLSA-N 2 2 319.474 2.440 10 0 DEAELP CC[N@H+]1CCC[C@H]1CNC(=O)c1cc2c(s1)C[NH+](C1CC1)C2 ZINC000065238844 184317026 /nfs/dbraw/zinc/31/70/26/184317026.db2.gz IMBABAIXUPGHJC-AWEZNQCLSA-N 2 2 319.474 2.440 10 0 DEAELP CC[NH+]1CCC[C@H]1CNC(=O)c1cc2c(s1)C[N@@H+](C1CC1)C2 ZINC000065238844 184317028 /nfs/dbraw/zinc/31/70/28/184317028.db2.gz IMBABAIXUPGHJC-AWEZNQCLSA-N 2 2 319.474 2.440 10 0 DEAELP CC[NH+]1CCC[C@H]1CNC(=O)c1cc2c(s1)C[N@H+](C1CC1)C2 ZINC000065238844 184317029 /nfs/dbraw/zinc/31/70/29/184317029.db2.gz IMBABAIXUPGHJC-AWEZNQCLSA-N 2 2 319.474 2.440 10 0 DEAELP OCC[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000188002826 207369725 /nfs/dbraw/zinc/36/97/25/207369725.db2.gz KKMDDVQDXHUNDT-WMZOPIPTSA-N 2 2 303.450 2.187 10 0 DEAELP Cc1cccc(C[N@@H+]2C[C@@H]3OC[C@@H](CNc4cccc[nH+]4)[C@@H]3C2)n1 ZINC000247873092 257114864 /nfs/dbraw/zinc/11/48/64/257114864.db2.gz MJNPRSZRHIDFND-NJAFHUGGSA-N 2 2 324.428 2.344 10 0 DEAELP Cc1cccc(C[N@H+]2C[C@@H]3OC[C@@H](CNc4cccc[nH+]4)[C@@H]3C2)n1 ZINC000247873092 257114866 /nfs/dbraw/zinc/11/48/66/257114866.db2.gz MJNPRSZRHIDFND-NJAFHUGGSA-N 2 2 324.428 2.344 10 0 DEAELP C[C@H]1C[N@H+](CCc2ccccc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000362703246 133246645 /nfs/dbraw/zinc/24/66/45/133246645.db2.gz PSHRBWKSGOPLCS-HKUYNNGSSA-N 2 2 301.478 2.187 10 0 DEAELP C[C@H]1C[N@@H+](CCc2ccccc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000362703246 133246646 /nfs/dbraw/zinc/24/66/46/133246646.db2.gz PSHRBWKSGOPLCS-HKUYNNGSSA-N 2 2 301.478 2.187 10 0 DEAELP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+]Cc1cnn(Cc3ccccc3)c1)C2 ZINC000368091975 133259902 /nfs/dbraw/zinc/25/99/02/133259902.db2.gz YLGBZXSBWGXMQH-MRXNPFEDSA-N 2 2 307.401 2.302 10 0 DEAELP c1[nH]c2c([nH+]1)C[C@H]([NH2+]Cc1cnn(Cc3ccccc3)c1)CC2 ZINC000368091975 133259903 /nfs/dbraw/zinc/25/99/03/133259903.db2.gz YLGBZXSBWGXMQH-MRXNPFEDSA-N 2 2 307.401 2.302 10 0 DEAELP O=C(NC1CC[NH+](CCCn2cc[nH+]c2)CC1)C1CCCCC1 ZINC000183188682 144926254 /nfs/dbraw/zinc/92/62/54/144926254.db2.gz DLHQOESMJDUZHG-UHFFFAOYSA-N 2 2 318.465 2.434 10 0 DEAELP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000247174253 145128082 /nfs/dbraw/zinc/12/80/82/145128082.db2.gz KVBYBKMAWIVXNS-YOEHRIQHSA-N 2 2 310.401 2.181 10 0 DEAELP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000247174253 145128084 /nfs/dbraw/zinc/12/80/84/145128084.db2.gz KVBYBKMAWIVXNS-YOEHRIQHSA-N 2 2 310.401 2.181 10 0 DEAELP CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc3[nH+]ccn3c2)[C@@H](C)C1 ZINC000247359254 145134497 /nfs/dbraw/zinc/13/44/97/145134497.db2.gz KBEFIWLZCJDERJ-DZGCQCFKSA-N 2 2 300.406 2.137 10 0 DEAELP CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc3[nH+]ccn3c2)[C@@H](C)C1 ZINC000247359254 145134498 /nfs/dbraw/zinc/13/44/98/145134498.db2.gz KBEFIWLZCJDERJ-DZGCQCFKSA-N 2 2 300.406 2.137 10 0 DEAELP C[C@@H]1C[C@H]([NH2+][C@H]2CCCN(c3ccccc3)C2=O)CC[N@@H+]1C ZINC000247973618 145145899 /nfs/dbraw/zinc/14/58/99/145145899.db2.gz HOEVJANQEHCNJW-INMHGKMJSA-N 2 2 301.434 2.254 10 0 DEAELP C[C@@H]1C[C@H]([NH2+][C@H]2CCCN(c3ccccc3)C2=O)CC[N@H+]1C ZINC000247973618 145145902 /nfs/dbraw/zinc/14/59/02/145145902.db2.gz HOEVJANQEHCNJW-INMHGKMJSA-N 2 2 301.434 2.254 10 0 DEAELP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1cnn(C)c1 ZINC000248158491 145149244 /nfs/dbraw/zinc/14/92/44/145149244.db2.gz RSDLQTYKSGQBSR-RVKKMQEKSA-N 2 2 313.449 2.376 10 0 DEAELP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1cnn(C)c1 ZINC000248158491 145149246 /nfs/dbraw/zinc/14/92/46/145149246.db2.gz RSDLQTYKSGQBSR-RVKKMQEKSA-N 2 2 313.449 2.376 10 0 DEAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2nccc(OC)c2OC)[C@@H](C)C1 ZINC000249083581 145178119 /nfs/dbraw/zinc/17/81/19/145178119.db2.gz MXRNHWMGTMXNID-DZGCQCFKSA-N 2 2 307.438 2.261 10 0 DEAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2nccc(OC)c2OC)[C@@H](C)C1 ZINC000249083581 145178121 /nfs/dbraw/zinc/17/81/21/145178121.db2.gz MXRNHWMGTMXNID-DZGCQCFKSA-N 2 2 307.438 2.261 10 0 DEAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2nccc(OC)c2OC)[C@@H](C)C1 ZINC000249083581 145178123 /nfs/dbraw/zinc/17/81/23/145178123.db2.gz MXRNHWMGTMXNID-DZGCQCFKSA-N 2 2 307.438 2.261 10 0 DEAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2nccc(OC)c2OC)[C@@H](C)C1 ZINC000249083581 145178124 /nfs/dbraw/zinc/17/81/24/145178124.db2.gz MXRNHWMGTMXNID-DZGCQCFKSA-N 2 2 307.438 2.261 10 0 DEAELP CC[N@@H+]1CC[C@@H](N(C)Cc2[nH+]ccc(OC)c2OC)[C@@H](C)C1 ZINC000249083581 145178126 /nfs/dbraw/zinc/17/81/26/145178126.db2.gz MXRNHWMGTMXNID-DZGCQCFKSA-N 2 2 307.438 2.261 10 0 DEAELP CC[N@H+]1CC[C@@H](N(C)Cc2[nH+]ccc(OC)c2OC)[C@@H](C)C1 ZINC000249083581 145178128 /nfs/dbraw/zinc/17/81/28/145178128.db2.gz MXRNHWMGTMXNID-DZGCQCFKSA-N 2 2 307.438 2.261 10 0 DEAELP Cc1ccccc1CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261615230 145210298 /nfs/dbraw/zinc/21/02/98/145210298.db2.gz CSEJTROIMATASN-DOTOQJQBSA-N 2 2 317.477 2.101 10 0 DEAELP Cc1ccccc1CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261615230 145210300 /nfs/dbraw/zinc/21/03/00/145210300.db2.gz CSEJTROIMATASN-DOTOQJQBSA-N 2 2 317.477 2.101 10 0 DEAELP CCN(C(=O)[C@@H](C)[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1)c1ccccc1 ZINC000261623510 145211904 /nfs/dbraw/zinc/21/19/04/145211904.db2.gz CKMCITVUSGZYPA-GDBMZVCRSA-N 2 2 303.450 2.487 10 0 DEAELP CCN(C(=O)[C@@H](C)[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1)c1ccccc1 ZINC000261623510 145211906 /nfs/dbraw/zinc/21/19/06/145211906.db2.gz CKMCITVUSGZYPA-GDBMZVCRSA-N 2 2 303.450 2.487 10 0 DEAELP C[N@H+](C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)C[C@H]1CCC[NH2+]C1 ZINC000261794368 145227462 /nfs/dbraw/zinc/22/74/62/145227462.db2.gz GJVZFLSHDJRSCY-SZMVWBNQSA-N 3 2 302.466 2.006 10 0 DEAELP C[N@@H+](C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)C[C@H]1CCC[NH2+]C1 ZINC000261794368 145227463 /nfs/dbraw/zinc/22/74/63/145227463.db2.gz GJVZFLSHDJRSCY-SZMVWBNQSA-N 3 2 302.466 2.006 10 0 DEAELP C[NH+](C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)C[C@H]1CCC[NH2+]C1 ZINC000261794368 145227467 /nfs/dbraw/zinc/22/74/67/145227467.db2.gz GJVZFLSHDJRSCY-SZMVWBNQSA-N 3 2 302.466 2.006 10 0 DEAELP C[NH+](C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)C[C@H]1CCC[NH2+]C1 ZINC000261794368 145227469 /nfs/dbraw/zinc/22/74/69/145227469.db2.gz GJVZFLSHDJRSCY-SZMVWBNQSA-N 3 2 302.466 2.006 10 0 DEAELP c1cc(N2CCCC2)[nH+]cc1N[C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000261887947 145237920 /nfs/dbraw/zinc/23/79/20/145237920.db2.gz GAZIXYUDMGELFW-BRWVUGGUSA-N 2 2 316.449 2.251 10 0 DEAELP CCC(CC)(C[NH3+])C(=O)N[C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000261917482 145241552 /nfs/dbraw/zinc/24/15/52/145241552.db2.gz ZAUNWSYVBJXXCV-CYBMUJFWSA-N 2 2 320.481 2.377 10 0 DEAELP C[C@]1(C[NH+]2CCN(C(=O)CC3CCCCC3)CC2)CC[NH2+]C1 ZINC000261989306 145250832 /nfs/dbraw/zinc/25/08/32/145250832.db2.gz KCYLZCJFHUZVNH-SFHVURJKSA-N 2 2 307.482 2.101 10 0 DEAELP C[N@H+](C[C@]1(C)CC[NH2+]C1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000262057764 145257577 /nfs/dbraw/zinc/25/75/77/145257577.db2.gz QUKJRIYUURSDOK-NVXWUHKLSA-N 2 2 321.852 2.377 10 0 DEAELP C[N@@H+](C[C@]1(C)CC[NH2+]C1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000262057764 145257579 /nfs/dbraw/zinc/25/75/79/145257579.db2.gz QUKJRIYUURSDOK-NVXWUHKLSA-N 2 2 321.852 2.377 10 0 DEAELP CCO[C@@H]1C[C@@H]([N@H+](C)Cc2noc(C[NH3+])n2)C12CCCCC2 ZINC000262277358 145272700 /nfs/dbraw/zinc/27/27/00/145272700.db2.gz UAVDLSJXMRPMKA-CHWSQXEVSA-N 2 2 308.426 2.088 10 0 DEAELP CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2noc(C[NH3+])n2)C12CCCCC2 ZINC000262277358 145272703 /nfs/dbraw/zinc/27/27/03/145272703.db2.gz UAVDLSJXMRPMKA-CHWSQXEVSA-N 2 2 308.426 2.088 10 0 DEAELP COc1cc(OC)c(C[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)c(OC)c1 ZINC000262493793 145287110 /nfs/dbraw/zinc/28/71/10/145287110.db2.gz LEXZUMVLQPCOGB-INIZCTEOSA-N 2 2 308.422 2.272 10 0 DEAELP COc1cc(OC)c(C[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)c(OC)c1 ZINC000262493793 145287112 /nfs/dbraw/zinc/28/71/12/145287112.db2.gz LEXZUMVLQPCOGB-INIZCTEOSA-N 2 2 308.422 2.272 10 0 DEAELP C[C@H]1Cc2ccccc2N1C(=O)C[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000262573561 145294409 /nfs/dbraw/zinc/29/44/09/145294409.db2.gz XTPLJDIEIIONND-BBRMVZONSA-N 2 2 301.434 2.023 10 0 DEAELP C[C@H]1Cc2ccccc2N1C(=O)C[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000262573561 145294410 /nfs/dbraw/zinc/29/44/10/145294410.db2.gz XTPLJDIEIIONND-BBRMVZONSA-N 2 2 301.434 2.023 10 0 DEAELP c1[nH+]c([C@H]2CCC[N@@H+](CCC3OCCO3)C2)n2c1CCCC2 ZINC000370305455 148005074 /nfs/dbraw/zinc/00/50/74/148005074.db2.gz KRDFPEDAPOWNBM-AWEZNQCLSA-N 2 2 305.422 2.162 10 0 DEAELP c1[nH+]c([C@H]2CCC[N@H+](CCC3OCCO3)C2)n2c1CCCC2 ZINC000370305455 148005075 /nfs/dbraw/zinc/00/50/75/148005075.db2.gz KRDFPEDAPOWNBM-AWEZNQCLSA-N 2 2 305.422 2.162 10 0 DEAELP c1cn(-c2ccc(C[NH2+][C@H]3CCO[C@@]4(CCOC4)C3)cc2)c[nH+]1 ZINC000371402024 148098649 /nfs/dbraw/zinc/09/86/49/148098649.db2.gz UGXZZDTXMUCFDO-WMZOPIPTSA-N 2 2 313.401 2.300 10 0 DEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000085407871 401915937 /nfs/dbraw/zinc/91/59/37/401915937.db2.gz GIFGDSNGSOYUPV-CABCVRRESA-N 2 2 321.469 2.021 10 0 DEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000085407871 401915938 /nfs/dbraw/zinc/91/59/38/401915938.db2.gz GIFGDSNGSOYUPV-CABCVRRESA-N 2 2 321.469 2.021 10 0 DEAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1nc2ccccc2n1C ZINC000091318958 401996277 /nfs/dbraw/zinc/99/62/77/401996277.db2.gz MVIZEKFTCVPOCF-LSDHHAIUSA-N 2 2 316.449 2.335 10 0 DEAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1nc2ccccc2n1C ZINC000091318958 401996278 /nfs/dbraw/zinc/99/62/78/401996278.db2.gz MVIZEKFTCVPOCF-LSDHHAIUSA-N 2 2 316.449 2.335 10 0 DEAELP C[C@@H](NC(=O)N1CCC[C@H]1Cn1cc[nH+]c1)C(C)(C)C[NH+](C)C ZINC000121205964 402020465 /nfs/dbraw/zinc/02/04/65/402020465.db2.gz FFHNDXLQHZIJHX-CABCVRRESA-N 2 2 321.469 2.033 10 0 DEAELP c1cc(NC2CC[NH+](C[C@@H]3CCOC3)CC2)nc(C2CC2)[nH+]1 ZINC000123060072 402108469 /nfs/dbraw/zinc/10/84/69/402108469.db2.gz WTIXOQJOYJLCIF-ZDUSSCGKSA-N 2 2 302.422 2.267 10 0 DEAELP C[C@H]1C[C@H]([NH+](C)CC(=O)N(C)Cc2ccccc2)CC[N@@H+]1C ZINC000123146372 402113676 /nfs/dbraw/zinc/11/36/76/402113676.db2.gz WCSAJCRNVBGWRY-DOTOQJQBSA-N 2 2 303.450 2.060 10 0 DEAELP C[C@H]1C[C@H]([NH+](C)CC(=O)N(C)Cc2ccccc2)CC[N@H+]1C ZINC000123146372 402113678 /nfs/dbraw/zinc/11/36/78/402113678.db2.gz WCSAJCRNVBGWRY-DOTOQJQBSA-N 2 2 303.450 2.060 10 0 DEAELP C[C@H]1C[C@H]([N@H+](C)CC(=O)N(C)Cc2ccccc2)CC[NH+]1C ZINC000123146372 402113681 /nfs/dbraw/zinc/11/36/81/402113681.db2.gz WCSAJCRNVBGWRY-DOTOQJQBSA-N 2 2 303.450 2.060 10 0 DEAELP C[C@H]1C[C@H]([N@@H+](C)CC(=O)N(C)Cc2ccccc2)CC[NH+]1C ZINC000123146372 402113684 /nfs/dbraw/zinc/11/36/84/402113684.db2.gz WCSAJCRNVBGWRY-DOTOQJQBSA-N 2 2 303.450 2.060 10 0 DEAELP C[C@H]1C[C@@H]([NH+](C)CC(=O)N(C)Cc2ccc(F)cc2)CC[N@@H+]1C ZINC000123577208 402135945 /nfs/dbraw/zinc/13/59/45/402135945.db2.gz MHGKFQXQUORLER-YOEHRIQHSA-N 2 2 321.440 2.199 10 0 DEAELP C[C@H]1C[C@@H]([NH+](C)CC(=O)N(C)Cc2ccc(F)cc2)CC[N@H+]1C ZINC000123577208 402135948 /nfs/dbraw/zinc/13/59/48/402135948.db2.gz MHGKFQXQUORLER-YOEHRIQHSA-N 2 2 321.440 2.199 10 0 DEAELP C[C@H]1C[C@@H]([N@H+](C)CC(=O)N(C)Cc2ccc(F)cc2)CC[NH+]1C ZINC000123577208 402135950 /nfs/dbraw/zinc/13/59/50/402135950.db2.gz MHGKFQXQUORLER-YOEHRIQHSA-N 2 2 321.440 2.199 10 0 DEAELP C[C@H]1C[C@@H]([N@@H+](C)CC(=O)N(C)Cc2ccc(F)cc2)CC[NH+]1C ZINC000123577208 402135953 /nfs/dbraw/zinc/13/59/53/402135953.db2.gz MHGKFQXQUORLER-YOEHRIQHSA-N 2 2 321.440 2.199 10 0 DEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)Nc1nccs1 ZINC000154549202 402218321 /nfs/dbraw/zinc/21/83/21/402218321.db2.gz PNYOZPBOEDZGAN-AAEUAGOBSA-N 2 2 319.434 2.140 10 0 DEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)Nc1nccs1 ZINC000154549202 402218324 /nfs/dbraw/zinc/21/83/24/402218324.db2.gz PNYOZPBOEDZGAN-AAEUAGOBSA-N 2 2 319.434 2.140 10 0 DEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000176321412 402299660 /nfs/dbraw/zinc/29/96/60/402299660.db2.gz RGFNIDRYSWWBBT-CABCVRRESA-N 2 2 321.469 2.211 10 0 DEAELP Cn1cc(C[N@@H+]2CCCN(c3cc[nH+]cc3Cl)CC2)cn1 ZINC000176923571 402350976 /nfs/dbraw/zinc/35/09/76/402350976.db2.gz ODGWFGVQZBEOIC-UHFFFAOYSA-N 2 2 305.813 2.181 10 0 DEAELP Cn1cc(C[N@H+]2CCCN(c3cc[nH+]cc3Cl)CC2)cn1 ZINC000176923571 402350977 /nfs/dbraw/zinc/35/09/77/402350977.db2.gz ODGWFGVQZBEOIC-UHFFFAOYSA-N 2 2 305.813 2.181 10 0 DEAELP CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@H+](CCn3cc[nH+]c3)C[C@@H]21 ZINC000185997317 402395822 /nfs/dbraw/zinc/39/58/22/402395822.db2.gz YNSFERASDMJBGD-SOUVJXGZSA-N 2 2 320.437 2.118 10 0 DEAELP CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@@H+](CCn3cc[nH+]c3)C[C@@H]21 ZINC000185997317 402395825 /nfs/dbraw/zinc/39/58/25/402395825.db2.gz YNSFERASDMJBGD-SOUVJXGZSA-N 2 2 320.437 2.118 10 0 DEAELP c1cn(CC[N@@H+]2CCCC[C@@H]2c2nnc3n2CCCC3)c[nH+]1 ZINC000163456345 402450462 /nfs/dbraw/zinc/45/04/62/402450462.db2.gz VNZGRTQEHNSIMN-CQSZACIVSA-N 2 2 300.410 2.038 10 0 DEAELP c1cn(CC[N@H+]2CCCC[C@@H]2c2nnc3n2CCCC3)c[nH+]1 ZINC000163456345 402450465 /nfs/dbraw/zinc/45/04/65/402450465.db2.gz VNZGRTQEHNSIMN-CQSZACIVSA-N 2 2 300.410 2.038 10 0 DEAELP O=C(c1cccc(-n2cc[nH+]c2)c1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000177806675 402437827 /nfs/dbraw/zinc/43/78/27/402437827.db2.gz UUOGQEACIAEQQM-KRWDZBQOSA-N 2 2 321.384 2.374 10 0 DEAELP Cc1ncc(C[NH+]2CCN(CC[C@@H]3CCC[N@H+]3C)CC2)s1 ZINC000162978700 402438592 /nfs/dbraw/zinc/43/85/92/402438592.db2.gz WAUAMXUGKZPUMQ-HNNXBMFYSA-N 2 2 308.495 2.053 10 0 DEAELP Cc1ncc(C[NH+]2CCN(CC[C@@H]3CCC[N@@H+]3C)CC2)s1 ZINC000162978700 402438595 /nfs/dbraw/zinc/43/85/95/402438595.db2.gz WAUAMXUGKZPUMQ-HNNXBMFYSA-N 2 2 308.495 2.053 10 0 DEAELP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@H]2CCCn3cc[nH+]c32)C1 ZINC000245416940 402458577 /nfs/dbraw/zinc/45/85/77/402458577.db2.gz JBWRTLMCYFLZTJ-OAGGEKHMSA-N 2 2 318.465 2.245 10 0 DEAELP Cc1cc(C)n2c(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)cnc2n1 ZINC000245691067 402480055 /nfs/dbraw/zinc/48/00/55/402480055.db2.gz ARVZAZJLPXQQJE-DOTOQJQBSA-N 2 2 313.449 2.262 10 0 DEAELP Cc1cc(C)n2c(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)cnc2n1 ZINC000245691067 402480056 /nfs/dbraw/zinc/48/00/56/402480056.db2.gz ARVZAZJLPXQQJE-DOTOQJQBSA-N 2 2 313.449 2.262 10 0 DEAELP Cc1cc(C)n2c(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)cnc2n1 ZINC000245691067 402480059 /nfs/dbraw/zinc/48/00/59/402480059.db2.gz ARVZAZJLPXQQJE-DOTOQJQBSA-N 2 2 313.449 2.262 10 0 DEAELP Cc1cc(C)n2c(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)cnc2n1 ZINC000245691067 402480061 /nfs/dbraw/zinc/48/00/61/402480061.db2.gz ARVZAZJLPXQQJE-DOTOQJQBSA-N 2 2 313.449 2.262 10 0 DEAELP CC(C)c1nnc(C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)n1C ZINC000245724674 402483165 /nfs/dbraw/zinc/48/31/65/402483165.db2.gz VCRGXMATTBINCB-UONOGXRCSA-N 2 2 302.426 2.218 10 0 DEAELP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ncc(Cl)n2C)C1 ZINC000178425338 402497065 /nfs/dbraw/zinc/49/70/65/402497065.db2.gz NKXYQKXBQXVGOL-GFCCVEGCSA-N 2 2 307.829 2.262 10 0 DEAELP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ncc(Cl)n2C)C1 ZINC000178425338 402497068 /nfs/dbraw/zinc/49/70/68/402497068.db2.gz NKXYQKXBQXVGOL-GFCCVEGCSA-N 2 2 307.829 2.262 10 0 DEAELP C[C@H](C(=O)N[C@@H](C)c1ccccc1)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246299643 402524188 /nfs/dbraw/zinc/52/41/88/402524188.db2.gz BWTDFIWERKIESR-XHSDSOJGSA-N 2 2 303.450 2.136 10 0 DEAELP C[C@H](C(=O)N[C@@H](C)c1ccccc1)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246299643 402524190 /nfs/dbraw/zinc/52/41/90/402524190.db2.gz BWTDFIWERKIESR-XHSDSOJGSA-N 2 2 303.450 2.136 10 0 DEAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCCC1CCCC1 ZINC000171627484 402603127 /nfs/dbraw/zinc/60/31/27/402603127.db2.gz PQLXUKRQVVWYLQ-UHFFFAOYSA-N 2 2 324.513 2.234 10 0 DEAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCCC1CCCC1 ZINC000171627484 402603128 /nfs/dbraw/zinc/60/31/28/402603128.db2.gz PQLXUKRQVVWYLQ-UHFFFAOYSA-N 2 2 324.513 2.234 10 0 DEAELP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2nccc(N)n2)cc1 ZINC000183154342 402743402 /nfs/dbraw/zinc/74/34/02/402743402.db2.gz UBBJPFYNMTXTRQ-LBPRGKRZSA-N 2 2 308.389 2.404 10 0 DEAELP C[C@@H]1CC[C@@H](C)[N@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000174013790 402723386 /nfs/dbraw/zinc/72/33/86/402723386.db2.gz UQSFVIZOCHBGCN-HZPDHXFCSA-N 2 2 319.449 2.044 10 0 DEAELP C[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000174013790 402723387 /nfs/dbraw/zinc/72/33/87/402723387.db2.gz UQSFVIZOCHBGCN-HZPDHXFCSA-N 2 2 319.449 2.044 10 0 DEAELP Cc1noc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000282040560 403116089 /nfs/dbraw/zinc/11/60/89/403116089.db2.gz LLJNOMZLBPPHJL-ZDUSSCGKSA-N 2 2 301.394 2.290 10 0 DEAELP Cc1noc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000282040560 403116091 /nfs/dbraw/zinc/11/60/91/403116091.db2.gz LLJNOMZLBPPHJL-ZDUSSCGKSA-N 2 2 301.394 2.290 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC1(C[NH+](C)C)CCC1)C2 ZINC000366844339 404856554 /nfs/dbraw/zinc/85/65/54/404856554.db2.gz JCNBWLVKQMAQIU-CYBMUJFWSA-N 2 2 318.465 2.239 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC1(C[NH+](C)C)CCC1)CC2 ZINC000366844339 404856557 /nfs/dbraw/zinc/85/65/57/404856557.db2.gz JCNBWLVKQMAQIU-CYBMUJFWSA-N 2 2 318.465 2.239 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC1(C[NH+](C)C)CCC1)C2 ZINC000366844340 404856787 /nfs/dbraw/zinc/85/67/87/404856787.db2.gz JCNBWLVKQMAQIU-ZDUSSCGKSA-N 2 2 318.465 2.239 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC1(C[NH+](C)C)CCC1)CC2 ZINC000366844340 404856790 /nfs/dbraw/zinc/85/67/90/404856790.db2.gz JCNBWLVKQMAQIU-ZDUSSCGKSA-N 2 2 318.465 2.239 10 0 DEAELP c1nc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)n[nH]1 ZINC000568266948 292328243 /nfs/dbraw/zinc/32/82/43/292328243.db2.gz VGSJQLPRSHYPLM-MRXNPFEDSA-N 2 2 311.433 2.134 10 0 DEAELP c1nc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)n[nH]1 ZINC000568266948 292328244 /nfs/dbraw/zinc/32/82/44/292328244.db2.gz VGSJQLPRSHYPLM-MRXNPFEDSA-N 2 2 311.433 2.134 10 0 DEAELP COc1nsc(C[NH2+][C@@H](C)CC[NH+](C)C)c1Br ZINC000638468924 405490237 /nfs/dbraw/zinc/49/02/37/405490237.db2.gz ZKZVMEFQSGJEHB-QMMMGPOBSA-N 2 2 322.272 2.344 10 0 DEAELP CCOC(=O)[C@@H](Cc1ccccc1)[N@H+](C)CCc1c[nH+]cn1C ZINC000459379197 405880803 /nfs/dbraw/zinc/88/08/03/405880803.db2.gz RFTGDCQTNYOLDL-QGZVFWFLSA-N 2 2 315.417 2.069 10 0 DEAELP CCOC(=O)[C@@H](Cc1ccccc1)[N@@H+](C)CCc1c[nH+]cn1C ZINC000459379197 405880808 /nfs/dbraw/zinc/88/08/08/405880808.db2.gz RFTGDCQTNYOLDL-QGZVFWFLSA-N 2 2 315.417 2.069 10 0 DEAELP C[C@H](C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)S(C)(=O)=O ZINC000450352799 405851798 /nfs/dbraw/zinc/85/17/98/405851798.db2.gz ZSXNAZYTZNXMPW-HZPDHXFCSA-N 2 2 316.511 2.008 10 0 DEAELP C[C@H](C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)S(C)(=O)=O ZINC000450352799 405851806 /nfs/dbraw/zinc/85/18/06/405851806.db2.gz ZSXNAZYTZNXMPW-HZPDHXFCSA-N 2 2 316.511 2.008 10 0 DEAELP c1cn(CC[NH2+]Cc2nnn(-c3ccccc3)c2C2CC2)c[nH+]1 ZINC000638298030 406682268 /nfs/dbraw/zinc/68/22/68/406682268.db2.gz MSJLESQQYZDJMZ-UHFFFAOYSA-N 2 2 308.389 2.131 10 0 DEAELP c1cc(C[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)sn1 ZINC000638336669 406709821 /nfs/dbraw/zinc/70/98/21/406709821.db2.gz FIAZHXFOTYNXGO-UHFFFAOYSA-N 2 2 316.474 2.445 10 0 DEAELP C[N@H+](CC[C@H]1COCC[NH2+]1)Cc1cccc(Br)c1 ZINC000129402408 196044575 /nfs/dbraw/zinc/04/45/75/196044575.db2.gz JVVXCUHLBKHVSJ-AWEZNQCLSA-N 2 2 313.239 2.259 10 0 DEAELP C[N@@H+](CC[C@H]1COCC[NH2+]1)Cc1cccc(Br)c1 ZINC000129402408 196044576 /nfs/dbraw/zinc/04/45/76/196044576.db2.gz JVVXCUHLBKHVSJ-AWEZNQCLSA-N 2 2 313.239 2.259 10 0 DEAELP C[N@H+](CC[C@H]1COCC[NH2+]1)Cc1cc(Br)cs1 ZINC000129419081 196046732 /nfs/dbraw/zinc/04/67/32/196046732.db2.gz SGQDWYJCXAHSLP-NSHDSACASA-N 2 2 319.268 2.321 10 0 DEAELP C[N@@H+](CC[C@H]1COCC[NH2+]1)Cc1cc(Br)cs1 ZINC000129419081 196046734 /nfs/dbraw/zinc/04/67/34/196046734.db2.gz SGQDWYJCXAHSLP-NSHDSACASA-N 2 2 319.268 2.321 10 0 DEAELP [NH3+]C1CC[NH+]([C@H]2CCN(C(=O)c3ccc(Cl)s3)C2)CC1 ZINC000130735378 196105405 /nfs/dbraw/zinc/10/54/05/196105405.db2.gz FFPIQHZSHLANQG-NSHDSACASA-N 2 2 313.854 2.039 10 0 DEAELP CC(C)Cn1cc[nH+]c1CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000131001106 196130887 /nfs/dbraw/zinc/13/08/87/196130887.db2.gz LKHOZZMYWYLBPO-KRWDZBQOSA-N 2 2 314.433 2.458 10 0 DEAELP CCC[NH+]1CCC(Nc2nc(N)[nH+]cc2Br)CC1 ZINC000131173373 196146491 /nfs/dbraw/zinc/14/64/91/196146491.db2.gz ZTUKIZLRQUTYJL-UHFFFAOYSA-N 2 2 314.231 2.108 10 0 DEAELP COC[C@H](C)[C@@H](C[NH3+])[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000131927168 196211213 /nfs/dbraw/zinc/21/12/13/196211213.db2.gz RPBLDIDJDGVALO-XJKSGUPXSA-N 2 2 311.857 2.072 10 0 DEAELP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccccc1Br ZINC000311090518 424895245 /nfs/dbraw/zinc/89/52/45/424895245.db2.gz ICKJDSBQXRLEGG-NWDGAFQWSA-N 2 2 315.255 2.412 10 0 DEAELP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccccc1Br ZINC000311090518 424895246 /nfs/dbraw/zinc/89/52/46/424895246.db2.gz ICKJDSBQXRLEGG-NWDGAFQWSA-N 2 2 315.255 2.412 10 0 DEAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2cccc(F)c2)[C@H](C)C1 ZINC000081096836 267379252 /nfs/dbraw/zinc/37/92/52/267379252.db2.gz IRPPYUQMFCEVRR-CZUORRHYSA-N 2 2 307.413 2.426 10 0 DEAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2cccc(F)c2)[C@H](C)C1 ZINC000081096836 267379254 /nfs/dbraw/zinc/37/92/54/267379254.db2.gz IRPPYUQMFCEVRR-CZUORRHYSA-N 2 2 307.413 2.426 10 0 DEAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2cccc(F)c2)[C@H](C)C1 ZINC000081096836 267379257 /nfs/dbraw/zinc/37/92/57/267379257.db2.gz IRPPYUQMFCEVRR-CZUORRHYSA-N 2 2 307.413 2.426 10 0 DEAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2cccc(F)c2)[C@H](C)C1 ZINC000081096836 267379260 /nfs/dbraw/zinc/37/92/60/267379260.db2.gz IRPPYUQMFCEVRR-CZUORRHYSA-N 2 2 307.413 2.426 10 0 DEAELP CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000246418252 276171627 /nfs/dbraw/zinc/17/16/27/276171627.db2.gz SIWJAESCNSNILD-KGLIPLIRSA-N 2 2 305.426 2.131 10 0 DEAELP CC[N@H+]1CCC[C@@H]1CNC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000246418252 276171628 /nfs/dbraw/zinc/17/16/28/276171628.db2.gz SIWJAESCNSNILD-KGLIPLIRSA-N 2 2 305.426 2.131 10 0 DEAELP CC(C)(C)NC(=O)C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000103229689 277166418 /nfs/dbraw/zinc/16/64/18/277166418.db2.gz BBAOBAHQVQTVKI-MRXNPFEDSA-N 2 2 309.498 2.489 10 0 DEAELP CC(C)(C)NC(=O)C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000103229689 277166419 /nfs/dbraw/zinc/16/64/19/277166419.db2.gz BBAOBAHQVQTVKI-MRXNPFEDSA-N 2 2 309.498 2.489 10 0 DEAELP C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH2+]CC1)c1cccs1 ZINC000038043146 278329219 /nfs/dbraw/zinc/32/92/19/278329219.db2.gz LXTNIBJESDZUJV-OCCSQVGLSA-N 2 2 307.463 2.142 10 0 DEAELP C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH2+]CC1)c1cccs1 ZINC000038043146 278329220 /nfs/dbraw/zinc/32/92/20/278329220.db2.gz LXTNIBJESDZUJV-OCCSQVGLSA-N 2 2 307.463 2.142 10 0 DEAELP C[C@H]([NH3+])CCC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000248829926 279395959 /nfs/dbraw/zinc/39/59/59/279395959.db2.gz BBABUDVZZDSHGF-RYUDHWBXSA-N 2 2 310.467 2.441 10 0 DEAELP C[C@H]([NH3+])CCC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000248829926 279395962 /nfs/dbraw/zinc/39/59/62/279395962.db2.gz BBABUDVZZDSHGF-RYUDHWBXSA-N 2 2 310.467 2.441 10 0 DEAELP C(c1nnc([C@@H]2CCC[N@@H+](C3CC[NH2+]CC3)C2)[nH]1)C1CCC1 ZINC000584615378 337372746 /nfs/dbraw/zinc/37/27/46/337372746.db2.gz PKSWWKCPKHWTHL-CQSZACIVSA-N 2 2 303.454 2.079 10 0 DEAELP C(c1nnc([C@@H]2CCC[N@H+](C3CC[NH2+]CC3)C2)[nH]1)C1CCC1 ZINC000584615378 337372747 /nfs/dbraw/zinc/37/27/47/337372747.db2.gz PKSWWKCPKHWTHL-CQSZACIVSA-N 2 2 303.454 2.079 10 0 DEAELP C(c1n[nH]c([C@@H]2CCC[N@@H+](C3CC[NH2+]CC3)C2)n1)C1CCC1 ZINC000584615378 337372748 /nfs/dbraw/zinc/37/27/48/337372748.db2.gz PKSWWKCPKHWTHL-CQSZACIVSA-N 2 2 303.454 2.079 10 0 DEAELP C[C@H]1CCCN(c2cc(NC[C@@H]3CCC[N@H+](C)C3)nc[nH+]2)C1 ZINC000302004845 534176655 /nfs/dbraw/zinc/17/66/55/534176655.db2.gz ZNSPPTLSUMRVSV-GJZGRUSLSA-N 2 2 303.454 2.467 10 0 DEAELP C[C@H]1CCCN(c2cc(NC[C@@H]3CCC[N@@H+](C)C3)nc[nH+]2)C1 ZINC000302004845 534176664 /nfs/dbraw/zinc/17/66/64/534176664.db2.gz ZNSPPTLSUMRVSV-GJZGRUSLSA-N 2 2 303.454 2.467 10 0 DEAELP C[C@H]1CCCN(c2cc(NC[C@@H]3CCC[N@H+](C)C3)[nH+]cn2)C1 ZINC000302004845 534176668 /nfs/dbraw/zinc/17/66/68/534176668.db2.gz ZNSPPTLSUMRVSV-GJZGRUSLSA-N 2 2 303.454 2.467 10 0 DEAELP C[C@H]1CCCN(c2cc(NC[C@@H]3CCC[N@@H+](C)C3)[nH+]cn2)C1 ZINC000302004845 534176673 /nfs/dbraw/zinc/17/66/73/534176673.db2.gz ZNSPPTLSUMRVSV-GJZGRUSLSA-N 2 2 303.454 2.467 10 0 DEAELP C[C@@H]1C[N@H+](Cc2ncc(Br)s2)C[C@H]1CC[NH3+] ZINC000723895209 777202445 /nfs/dbraw/zinc/20/24/45/777202445.db2.gz TWSCEPUBQSOADM-RKDXNWHRSA-N 2 2 304.257 2.322 10 0 DEAELP C[C@@H]1C[N@@H+](Cc2ncc(Br)s2)C[C@H]1CC[NH3+] ZINC000723895209 777202450 /nfs/dbraw/zinc/20/24/50/777202450.db2.gz TWSCEPUBQSOADM-RKDXNWHRSA-N 2 2 304.257 2.322 10 0 DEAELP C[C@H](C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2)[NH+](C)C ZINC000707938973 1086675051 /nfs/dbraw/zinc/67/50/51/1086675051.db2.gz CWGHFHIXKFGTPH-QPSCCSFWSA-N 2 2 311.470 2.314 10 0 DEAELP Cc1csc(C(=O)N2CC[NH+](CCn3cc[nH+]c3C)CC2)c1 ZINC000077121318 185110776 /nfs/dbraw/zinc/11/07/76/185110776.db2.gz LEBZGEFRENTFBO-UHFFFAOYSA-N 2 2 318.446 2.019 10 0 DEAELP Cc1[nH+]ccn1-c1cncc(N2CCC(c3[nH]cc[nH+]3)CC2)n1 ZINC000328741571 231326741 /nfs/dbraw/zinc/32/67/41/231326741.db2.gz JBGMDIKWLAKYPW-UHFFFAOYSA-N 2 2 309.377 2.078 10 0 DEAELP CCn1cc[nH+]c1CN1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190471070 529569818 /nfs/dbraw/zinc/56/98/18/529569818.db2.gz OCENMCMEKXKHBP-KRWDZBQOSA-N 2 2 313.449 2.252 10 0 DEAELP CCn1cc[nH+]c1CN1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000190471070 529569823 /nfs/dbraw/zinc/56/98/23/529569823.db2.gz OCENMCMEKXKHBP-KRWDZBQOSA-N 2 2 313.449 2.252 10 0 DEAELP CCN(CCC[NH+](C)C)C(=O)NCc1[nH+]ccn1CC(C)C ZINC000189759819 282317097 /nfs/dbraw/zinc/31/70/97/282317097.db2.gz CSJHXVOMMJXNOX-UHFFFAOYSA-N 2 2 309.458 2.022 10 0 DEAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NCC2CCCCC2)[C@@H](C)C1 ZINC000245414257 282386143 /nfs/dbraw/zinc/38/61/43/282386143.db2.gz CDDIHJYJEQKMLG-DOTOQJQBSA-N 2 2 309.498 2.345 10 0 DEAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NCC2CCCCC2)[C@@H](C)C1 ZINC000245414257 282386150 /nfs/dbraw/zinc/38/61/50/282386150.db2.gz CDDIHJYJEQKMLG-DOTOQJQBSA-N 2 2 309.498 2.345 10 0 DEAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NCC2CCCCC2)[C@@H](C)C1 ZINC000245414257 282386157 /nfs/dbraw/zinc/38/61/57/282386157.db2.gz CDDIHJYJEQKMLG-DOTOQJQBSA-N 2 2 309.498 2.345 10 0 DEAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NCC2CCCCC2)[C@@H](C)C1 ZINC000245414257 282386159 /nfs/dbraw/zinc/38/61/59/282386159.db2.gz CDDIHJYJEQKMLG-DOTOQJQBSA-N 2 2 309.498 2.345 10 0 DEAELP CC(C)(C)c1ccc2c(c1)[C@H](C[NH3+])N(CC[NH+]1CCOCC1)C2 ZINC000071683788 191007463 /nfs/dbraw/zinc/00/74/63/191007463.db2.gz ZJQJASSLAOUWFV-SFHVURJKSA-N 2 2 317.477 2.132 10 0 DEAELP Cn1cc[nH+]c1CN1Cc2ccc(C(F)(F)F)cc2[C@H]1C[NH3+] ZINC000071684069 191008862 /nfs/dbraw/zinc/00/88/62/191008862.db2.gz WJZAVCDGMSAPKL-CYBMUJFWSA-N 2 2 310.323 2.455 10 0 DEAELP [NH3+]C1CCN([C@@H]2CC[N@H+](Cc3cc(Cl)ccc3F)C2)CC1 ZINC000163926754 186142670 /nfs/dbraw/zinc/14/26/70/186142670.db2.gz ZBAIORFJPDIPMP-OAHLLOKOSA-N 2 2 311.832 2.477 10 0 DEAELP [NH3+]C1CCN([C@@H]2CC[N@@H+](Cc3cc(Cl)ccc3F)C2)CC1 ZINC000163926754 186142671 /nfs/dbraw/zinc/14/26/71/186142671.db2.gz ZBAIORFJPDIPMP-OAHLLOKOSA-N 2 2 311.832 2.477 10 0 DEAELP CCCN(CCC)C(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171645394 197960184 /nfs/dbraw/zinc/96/01/84/197960184.db2.gz DWBNFYKXJGIZAY-MRXNPFEDSA-N 2 2 318.465 2.464 10 0 DEAELP CCCN(CCC)C(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171645394 197960185 /nfs/dbraw/zinc/96/01/85/197960185.db2.gz DWBNFYKXJGIZAY-MRXNPFEDSA-N 2 2 318.465 2.464 10 0 DEAELP C[C@H]1C[C@@H](N(C)C(=O)NCCCNc2cccc[nH+]2)CC[N@@H+]1C ZINC000173955108 198272868 /nfs/dbraw/zinc/27/28/68/198272868.db2.gz HHFWIJJOOFECOF-GJZGRUSLSA-N 2 2 319.453 2.008 10 0 DEAELP C[C@H]1C[C@@H](N(C)C(=O)NCCCNc2cccc[nH+]2)CC[N@H+]1C ZINC000173955108 198272870 /nfs/dbraw/zinc/27/28/70/198272870.db2.gz HHFWIJJOOFECOF-GJZGRUSLSA-N 2 2 319.453 2.008 10 0 DEAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2ccoc2)nc[nH+]1 ZINC000180572814 356053246 /nfs/dbraw/zinc/05/32/46/356053246.db2.gz OUEDEORRBBDWRD-GXTWGEPZSA-N 2 2 301.394 2.431 10 0 DEAELP Cc1nc(C[C@H]2CCC[N@H+](Cc3cccc4[nH+]ccn43)C2)no1 ZINC000179999641 199105032 /nfs/dbraw/zinc/10/50/32/199105032.db2.gz ZRSLSESPFKHZFR-CQSZACIVSA-N 2 2 311.389 2.480 10 0 DEAELP Cc1nc(C[C@H]2CCC[N@@H+](Cc3cccc4[nH+]ccn43)C2)no1 ZINC000179999641 199105034 /nfs/dbraw/zinc/10/50/34/199105034.db2.gz ZRSLSESPFKHZFR-CQSZACIVSA-N 2 2 311.389 2.480 10 0 DEAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)c2nccs2)nc[nH+]1 ZINC000180570542 199177799 /nfs/dbraw/zinc/17/77/99/199177799.db2.gz MNXQSOBHOCVILK-VXGBXAGGSA-N 2 2 318.450 2.294 10 0 DEAELP C[C@@H]([NH2+]CC(=O)NC(C)(C)C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180677271 199195107 /nfs/dbraw/zinc/19/51/07/199195107.db2.gz UEUDPYUMFCXOLJ-CYBMUJFWSA-N 2 2 300.406 2.438 10 0 DEAELP CC(C)NC(=O)CC[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180653139 199191535 /nfs/dbraw/zinc/19/15/35/199191535.db2.gz DCWHNDVDRGAMLP-CQSZACIVSA-N 2 2 300.406 2.438 10 0 DEAELP CCCCNC(=O)C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180659342 199192345 /nfs/dbraw/zinc/19/23/45/199192345.db2.gz GBIMTKFOAUNTEO-AWEZNQCLSA-N 2 2 300.406 2.439 10 0 DEAELP O=C(Nc1ccc2[nH+]ccn2c1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000606582646 361023562 /nfs/dbraw/zinc/02/35/62/361023562.db2.gz YCFMNFAVJNDZKY-OAHLLOKOSA-N 2 2 313.405 2.426 10 0 DEAELP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000608313839 361196348 /nfs/dbraw/zinc/19/63/48/361196348.db2.gz OJTFLHIPVAKMFM-ZDUSSCGKSA-N 2 2 301.394 2.140 10 0 DEAELP COCC[N@H+](C)[C@@H](C[NH3+])c1ccc(Br)c(C)c1 ZINC000091470756 193059978 /nfs/dbraw/zinc/05/99/78/193059978.db2.gz BMXAPCFILAQHFV-ZDUSSCGKSA-N 2 2 301.228 2.336 10 0 DEAELP COCC[N@@H+](C)[C@@H](C[NH3+])c1ccc(Br)c(C)c1 ZINC000091470756 193059980 /nfs/dbraw/zinc/05/99/80/193059980.db2.gz BMXAPCFILAQHFV-ZDUSSCGKSA-N 2 2 301.228 2.336 10 0 DEAELP CC[C@@H]([NH3+])Cc1ccc(OC[C@@H]2C[N@H+](C)CCO2)c(Cl)c1 ZINC000092060724 193149683 /nfs/dbraw/zinc/14/96/83/193149683.db2.gz KWILNCAYEHEDSL-KGLIPLIRSA-N 2 2 312.841 2.329 10 0 DEAELP CC[C@@H]([NH3+])Cc1ccc(OC[C@@H]2C[N@@H+](C)CCO2)c(Cl)c1 ZINC000092060724 193149686 /nfs/dbraw/zinc/14/96/86/193149686.db2.gz KWILNCAYEHEDSL-KGLIPLIRSA-N 2 2 312.841 2.329 10 0 DEAELP Brc1cncc(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)c1 ZINC000631890152 368445856 /nfs/dbraw/zinc/44/58/56/368445856.db2.gz PAVYSCGIXOVPTH-TZMCWYRMSA-N 2 2 310.239 2.418 10 0 DEAELP Brc1cncc(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)c1 ZINC000631890152 368445862 /nfs/dbraw/zinc/44/58/62/368445862.db2.gz PAVYSCGIXOVPTH-TZMCWYRMSA-N 2 2 310.239 2.418 10 0 DEAELP C[NH2+][C@@H](Cc1c(Cl)cccc1Cl)[C@H]1C[N@H+](C)CCN1C ZINC000093894845 193325444 /nfs/dbraw/zinc/32/54/44/193325444.db2.gz QOKTVIFXVJWRFI-LSDHHAIUSA-N 2 2 316.276 2.370 10 0 DEAELP C[NH2+][C@@H](Cc1c(Cl)cccc1Cl)[C@H]1C[N@@H+](C)CCN1C ZINC000093894845 193325446 /nfs/dbraw/zinc/32/54/46/193325446.db2.gz QOKTVIFXVJWRFI-LSDHHAIUSA-N 2 2 316.276 2.370 10 0 DEAELP C[NH2+][C@@H](c1ccccc1C(F)(F)F)[C@@H]1C[N@H+](C)CCN1C ZINC000093894703 193325660 /nfs/dbraw/zinc/32/56/60/193325660.db2.gz QACYFNSDJBGOEE-KBPBESRZSA-N 2 2 301.356 2.212 10 0 DEAELP C[NH2+][C@@H](c1ccccc1C(F)(F)F)[C@@H]1C[N@@H+](C)CCN1C ZINC000093894703 193325661 /nfs/dbraw/zinc/32/56/61/193325661.db2.gz QACYFNSDJBGOEE-KBPBESRZSA-N 2 2 301.356 2.212 10 0 DEAELP C[N@H+](CCS(C)(=O)=O)Cc1ccccc1C[NH2+]C(C)(C)C ZINC000094300870 193358540 /nfs/dbraw/zinc/35/85/40/193358540.db2.gz TZZVQBXBABGPQJ-UHFFFAOYSA-N 2 2 312.479 2.051 10 0 DEAELP C[N@@H+](CCS(C)(=O)=O)Cc1ccccc1C[NH2+]C(C)(C)C ZINC000094300870 193358542 /nfs/dbraw/zinc/35/85/42/193358542.db2.gz TZZVQBXBABGPQJ-UHFFFAOYSA-N 2 2 312.479 2.051 10 0 DEAELP CCC[NH2+][C@@H](Cc1cccc(Cl)c1)[C@@H]1C[NH+]2CCN1CC2 ZINC000094510980 193375345 /nfs/dbraw/zinc/37/53/45/193375345.db2.gz LWKDGWONISUMTP-IRXDYDNUSA-N 2 2 307.869 2.251 10 0 DEAELP COc1ccccc1C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000019770609 182144272 /nfs/dbraw/zinc/14/42/72/182144272.db2.gz HTCZRIYCXBQJQA-SFHVURJKSA-N 2 2 317.477 2.297 10 0 DEAELP COc1ccccc1C[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000019770609 182144273 /nfs/dbraw/zinc/14/42/73/182144273.db2.gz HTCZRIYCXBQJQA-SFHVURJKSA-N 2 2 317.477 2.297 10 0 DEAELP C[N@H+](Cc1ccc(Br)cc1)[C@@H](C[NH3+])[C@@H]1CCOC1 ZINC000042439858 183270099 /nfs/dbraw/zinc/27/00/99/183270099.db2.gz BPCLSKSWEGCODE-OCCSQVGLSA-N 2 2 313.239 2.245 10 0 DEAELP C[N@@H+](Cc1ccc(Br)cc1)[C@@H](C[NH3+])[C@@H]1CCOC1 ZINC000042439858 183270100 /nfs/dbraw/zinc/27/01/00/183270100.db2.gz BPCLSKSWEGCODE-OCCSQVGLSA-N 2 2 313.239 2.245 10 0 DEAELP COC[C@H](C)[N@H+](C)[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000042517833 183279521 /nfs/dbraw/zinc/27/95/21/183279521.db2.gz RQQSZVAUQCDZBN-GWCFXTLKSA-N 2 2 301.228 2.416 10 0 DEAELP COC[C@H](C)[N@@H+](C)[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000042517833 183279522 /nfs/dbraw/zinc/27/95/22/183279522.db2.gz RQQSZVAUQCDZBN-GWCFXTLKSA-N 2 2 301.228 2.416 10 0 DEAELP C[C@@H](C[NH2+]C1CC(OCc2ccccc2)C1)C[NH+]1CCOCC1 ZINC000493760858 249392270 /nfs/dbraw/zinc/39/22/70/249392270.db2.gz ALYRKTKZYSEPEW-IVMQYODDSA-N 2 2 318.461 2.292 10 0 DEAELP CC[C@@H]([NH3+])[C@@H](c1sccc1C)[N@@H+]1CCCC[C@@H]1C(=O)NC ZINC000043248709 183346485 /nfs/dbraw/zinc/34/64/85/183346485.db2.gz XKHAEGZQYTWBNT-MCIONIFRSA-N 2 2 309.479 2.435 10 0 DEAELP CC[C@@H]([NH3+])[C@@H](c1sccc1C)[N@H+]1CCCC[C@@H]1C(=O)NC ZINC000043248709 183346488 /nfs/dbraw/zinc/34/64/88/183346488.db2.gz XKHAEGZQYTWBNT-MCIONIFRSA-N 2 2 309.479 2.435 10 0 DEAELP CC[C@@H]([NH3+])[C@@H](c1sccc1C)[NH+]1CCC(CC(N)=O)CC1 ZINC000043248753 183346565 /nfs/dbraw/zinc/34/65/65/183346565.db2.gz MGTYBGLRYSDMCE-HIFRSBDPSA-N 2 2 309.479 2.422 10 0 DEAELP Cc1nc(N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)cc[nH+]1 ZINC000284479584 218045889 /nfs/dbraw/zinc/04/58/89/218045889.db2.gz AISHQGWPNGOPKS-WMLDXEAASA-N 2 2 314.437 2.038 10 0 DEAELP Cc1nc(N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)cc[nH+]1 ZINC000284479584 218045890 /nfs/dbraw/zinc/04/58/90/218045890.db2.gz AISHQGWPNGOPKS-WMLDXEAASA-N 2 2 314.437 2.038 10 0 DEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cccc(C(N)=O)c2)C1 ZINC000105897515 194162723 /nfs/dbraw/zinc/16/27/23/194162723.db2.gz BHUNLIQZQINFGQ-INIZCTEOSA-N 2 2 312.417 2.382 10 0 DEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cccc(C(N)=O)c2)C1 ZINC000105897515 194162725 /nfs/dbraw/zinc/16/27/25/194162725.db2.gz BHUNLIQZQINFGQ-INIZCTEOSA-N 2 2 312.417 2.382 10 0 DEAELP Cc1cccc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3CC2CCOCC2)[nH+]1 ZINC000248105739 257108947 /nfs/dbraw/zinc/10/89/47/257108947.db2.gz PBPHJZXWJFLJOW-SJORKVTESA-N 2 2 301.434 2.470 10 0 DEAELP Cc1cccc(N2CC[C@@H]3[C@@H]2CC[N@H+]3CC2CCOCC2)[nH+]1 ZINC000248105739 257108949 /nfs/dbraw/zinc/10/89/49/257108949.db2.gz PBPHJZXWJFLJOW-SJORKVTESA-N 2 2 301.434 2.470 10 0 DEAELP c1csc(C[N@H+]2C[C@@H]3OC[C@@H](CNc4cccc[nH+]4)[C@@H]3C2)n1 ZINC000247995869 257113210 /nfs/dbraw/zinc/11/32/10/257113210.db2.gz ACABIAKNBOWPDB-RDBSUJKOSA-N 2 2 316.430 2.097 10 0 DEAELP c1csc(C[N@@H+]2C[C@@H]3OC[C@@H](CNc4cccc[nH+]4)[C@@H]3C2)n1 ZINC000247995869 257113211 /nfs/dbraw/zinc/11/32/11/257113211.db2.gz ACABIAKNBOWPDB-RDBSUJKOSA-N 2 2 316.430 2.097 10 0 DEAELP CC(C)CC(=O)Nc1ncc(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)s1 ZINC000725273008 542770979 /nfs/dbraw/zinc/77/09/79/542770979.db2.gz XDKQFWKXAYEYBX-YPMHNXCESA-N 2 2 310.467 2.297 10 0 DEAELP CC(C)CC(=O)Nc1ncc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)s1 ZINC000725273008 542770983 /nfs/dbraw/zinc/77/09/83/542770983.db2.gz XDKQFWKXAYEYBX-YPMHNXCESA-N 2 2 310.467 2.297 10 0 DEAELP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+]Cc1cnc([C@H]3CCCO3)s1)C2 ZINC000368258169 133266540 /nfs/dbraw/zinc/26/65/40/133266540.db2.gz IYHMZRVRQWUCRA-QMTHXVAHSA-N 2 2 304.419 2.365 10 0 DEAELP c1[nH]c2c([nH+]1)C[C@H]([NH2+]Cc1cnc([C@H]3CCCO3)s1)CC2 ZINC000368258169 133266541 /nfs/dbraw/zinc/26/65/41/133266541.db2.gz IYHMZRVRQWUCRA-QMTHXVAHSA-N 2 2 304.419 2.365 10 0 DEAELP CCCCOC[C@@H](O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000193379790 145085688 /nfs/dbraw/zinc/08/56/88/145085688.db2.gz YDGKGCBBKVBBHY-HOTGVXAUSA-N 2 2 309.454 2.260 10 0 DEAELP CCCCOC[C@@H](O)C[N@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000193379790 145085690 /nfs/dbraw/zinc/08/56/90/145085690.db2.gz YDGKGCBBKVBBHY-HOTGVXAUSA-N 2 2 309.454 2.260 10 0 DEAELP Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](CC[NH2+]C(C)C)C2)n1 ZINC000193466116 145086666 /nfs/dbraw/zinc/08/66/66/145086666.db2.gz BJKAOGYNIQBRJB-HNNXBMFYSA-N 2 2 304.438 2.039 10 0 DEAELP Cc1cccc(NC(=O)[C@H]2CCC[N@H+](CC[NH2+]C(C)C)C2)n1 ZINC000193466116 145086667 /nfs/dbraw/zinc/08/66/67/145086667.db2.gz BJKAOGYNIQBRJB-HNNXBMFYSA-N 2 2 304.438 2.039 10 0 DEAELP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193628676 145087495 /nfs/dbraw/zinc/08/74/95/145087495.db2.gz SHYVFUIOCHHDSA-RWMBFGLXSA-N 2 2 307.825 2.160 10 0 DEAELP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193628676 145087497 /nfs/dbraw/zinc/08/74/97/145087497.db2.gz SHYVFUIOCHHDSA-RWMBFGLXSA-N 2 2 307.825 2.160 10 0 DEAELP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193628676 145087499 /nfs/dbraw/zinc/08/74/99/145087499.db2.gz SHYVFUIOCHHDSA-RWMBFGLXSA-N 2 2 307.825 2.160 10 0 DEAELP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193628676 145087500 /nfs/dbraw/zinc/08/75/00/145087500.db2.gz SHYVFUIOCHHDSA-RWMBFGLXSA-N 2 2 307.825 2.160 10 0 DEAELP C[N@H+]1C[C@@H]2C[NH+](Cc3coc(-c4cccc(F)c4)n3)C[C@@H]2C1 ZINC000193650592 145088779 /nfs/dbraw/zinc/08/87/79/145088779.db2.gz AQMRLXCUOACVME-OKILXGFUSA-N 2 2 301.365 2.474 10 0 DEAELP C[N@@H+]1C[C@@H]2C[NH+](Cc3coc(-c4cccc(F)c4)n3)C[C@@H]2C1 ZINC000193650592 145088780 /nfs/dbraw/zinc/08/87/80/145088780.db2.gz AQMRLXCUOACVME-OKILXGFUSA-N 2 2 301.365 2.474 10 0 DEAELP C[NH+]1C[C@@H]2C[N@@H+](Cc3coc(-c4cccc(F)c4)n3)C[C@@H]2C1 ZINC000193650592 145088781 /nfs/dbraw/zinc/08/87/81/145088781.db2.gz AQMRLXCUOACVME-OKILXGFUSA-N 2 2 301.365 2.474 10 0 DEAELP C[NH+]1C[C@@H]2C[N@H+](Cc3coc(-c4cccc(F)c4)n3)C[C@@H]2C1 ZINC000193650592 145088782 /nfs/dbraw/zinc/08/87/82/145088782.db2.gz AQMRLXCUOACVME-OKILXGFUSA-N 2 2 301.365 2.474 10 0 DEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(Cl)cn2)[C@@H](C)C1 ZINC000245436205 145092840 /nfs/dbraw/zinc/09/28/40/145092840.db2.gz QWFYDNYFEIEEFF-JSGCOSHPSA-N 2 2 324.856 2.336 10 0 DEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(Cl)cn2)[C@@H](C)C1 ZINC000245436205 145092842 /nfs/dbraw/zinc/09/28/42/145092842.db2.gz QWFYDNYFEIEEFF-JSGCOSHPSA-N 2 2 324.856 2.336 10 0 DEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2ccc(Cl)cn2)[C@@H](C)C1 ZINC000245436205 145092844 /nfs/dbraw/zinc/09/28/44/145092844.db2.gz QWFYDNYFEIEEFF-JSGCOSHPSA-N 2 2 324.856 2.336 10 0 DEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc(Cl)cn2)[C@@H](C)C1 ZINC000245436205 145092845 /nfs/dbraw/zinc/09/28/45/145092845.db2.gz QWFYDNYFEIEEFF-JSGCOSHPSA-N 2 2 324.856 2.336 10 0 DEAELP COC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)C1CC1 ZINC000247135994 145127170 /nfs/dbraw/zinc/12/71/70/145127170.db2.gz AVKYGFSTMQHEKM-OLMNPRSZSA-N 2 2 303.450 2.307 10 0 DEAELP COC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)C1CC1 ZINC000247135994 145127171 /nfs/dbraw/zinc/12/71/71/145127171.db2.gz AVKYGFSTMQHEKM-OLMNPRSZSA-N 2 2 303.450 2.307 10 0 DEAELP Cc1ccccc1CN(C)C(=O)[C@@H](C)[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261724464 145220428 /nfs/dbraw/zinc/22/04/28/145220428.db2.gz NSSWPXIAGKAMIP-WBVHZDCISA-N 2 2 317.477 2.401 10 0 DEAELP Cc1ccccc1CN(C)C(=O)[C@@H](C)[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261724464 145220430 /nfs/dbraw/zinc/22/04/30/145220430.db2.gz NSSWPXIAGKAMIP-WBVHZDCISA-N 2 2 317.477 2.401 10 0 DEAELP Cc1ccc2[nH+]c(CN3CC[NH2+]C[C@H]3c3cccnc3)cn2c1 ZINC000261821693 145230676 /nfs/dbraw/zinc/23/06/76/145230676.db2.gz SHAKYTRNEHNMMM-KRWDZBQOSA-N 2 2 307.401 2.184 10 0 DEAELP CSc1ccccc1NC(=O)C[N@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000261897196 145238320 /nfs/dbraw/zinc/23/83/20/145238320.db2.gz VFADKDWMWFKJBT-MRXNPFEDSA-N 2 2 307.463 2.278 10 0 DEAELP CSc1ccccc1NC(=O)C[N@@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000261897196 145238322 /nfs/dbraw/zinc/23/83/22/145238322.db2.gz VFADKDWMWFKJBT-MRXNPFEDSA-N 2 2 307.463 2.278 10 0 DEAELP C[N@H+](CC(=O)Nc1ccc(F)cc1F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262003237 145251953 /nfs/dbraw/zinc/25/19/53/145251953.db2.gz VMBHAIVXKDICIG-FUNVUKJBSA-N 2 2 309.360 2.118 10 0 DEAELP C[N@@H+](CC(=O)Nc1ccc(F)cc1F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262003237 145251955 /nfs/dbraw/zinc/25/19/55/145251955.db2.gz VMBHAIVXKDICIG-FUNVUKJBSA-N 2 2 309.360 2.118 10 0 DEAELP C[C@H](NC(=O)C[N@H+](C)[C@H]1CCC[NH2+]CC1)c1ccc(F)cc1 ZINC000262460626 145285410 /nfs/dbraw/zinc/28/54/10/145285410.db2.gz INMXDASLVQNBAA-BBRMVZONSA-N 2 2 307.413 2.077 10 0 DEAELP C[C@H](NC(=O)C[N@@H+](C)[C@H]1CCC[NH2+]CC1)c1ccc(F)cc1 ZINC000262460626 145285412 /nfs/dbraw/zinc/28/54/12/145285412.db2.gz INMXDASLVQNBAA-BBRMVZONSA-N 2 2 307.413 2.077 10 0 DEAELP Cc1cn2c([nH+]1)[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)CCC2 ZINC000332679257 145386600 /nfs/dbraw/zinc/38/66/00/145386600.db2.gz GGHDTVJJYCDFTD-JKSUJKDBSA-N 2 2 318.465 2.450 10 0 DEAELP COC1CCC([NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)CC1 ZINC000345035006 292159684 /nfs/dbraw/zinc/15/96/84/292159684.db2.gz NRCXWGSVIQTLLV-MMIPBJDJSA-N 2 2 320.481 2.350 10 0 DEAELP COC1CCC([NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)CC1 ZINC000345035006 292159686 /nfs/dbraw/zinc/15/96/86/292159686.db2.gz NRCXWGSVIQTLLV-MMIPBJDJSA-N 2 2 320.481 2.350 10 0 DEAELP c1ccc2c(c1)CC[C@@H](C[N@H+]1CC[C@H](C[NH+]3CCOCC3)C1)C2 ZINC000359576421 147355014 /nfs/dbraw/zinc/35/50/14/147355014.db2.gz AHHHXDHBIMLRPJ-QZTJIDSGSA-N 2 2 314.473 2.446 10 0 DEAELP c1ccc2c(c1)CC[C@@H](C[N@@H+]1CC[C@H](C[NH+]3CCOCC3)C1)C2 ZINC000359576421 147355015 /nfs/dbraw/zinc/35/50/15/147355015.db2.gz AHHHXDHBIMLRPJ-QZTJIDSGSA-N 2 2 314.473 2.446 10 0 DEAELP CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1cccc(Cc2ccccc2)c1 ZINC000017040337 401820301 /nfs/dbraw/zinc/82/03/01/401820301.db2.gz BPXQNOJUJMPEEQ-UHFFFAOYSA-N 2 2 307.401 2.463 10 0 DEAELP Cc1cc(NC(=O)N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)cc[nH+]1 ZINC000119265736 401937320 /nfs/dbraw/zinc/93/73/20/401937320.db2.gz XXVSHKQQSYPJHX-AWEZNQCLSA-N 2 2 318.421 2.107 10 0 DEAELP Cc1cc(NC(=O)N2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)cc[nH+]1 ZINC000119265736 401937324 /nfs/dbraw/zinc/93/73/24/401937324.db2.gz XXVSHKQQSYPJHX-AWEZNQCLSA-N 2 2 318.421 2.107 10 0 DEAELP CCN(C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)C(C)C ZINC000119173989 401931065 /nfs/dbraw/zinc/93/10/65/401931065.db2.gz RMHSVAFNNMHYFK-SJPCQFCGSA-N 2 2 322.497 2.080 10 0 DEAELP CCN(C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)C(C)C ZINC000119173989 401931066 /nfs/dbraw/zinc/93/10/66/401931066.db2.gz RMHSVAFNNMHYFK-SJPCQFCGSA-N 2 2 322.497 2.080 10 0 DEAELP CCn1cc(C[N@@H+]2CCCN(c3[nH]c4ccccc4[nH+]3)CC2)cn1 ZINC000134956425 401921795 /nfs/dbraw/zinc/92/17/95/401921795.db2.gz CWMKNFBMGIGZDR-UHFFFAOYSA-N 2 2 324.432 2.492 10 0 DEAELP CCn1cc(C[N@H+]2CCCN(c3[nH]c4ccccc4[nH+]3)CC2)cn1 ZINC000134956425 401921797 /nfs/dbraw/zinc/92/17/97/401921797.db2.gz CWMKNFBMGIGZDR-UHFFFAOYSA-N 2 2 324.432 2.492 10 0 DEAELP C[N@H+](CC(=O)NC(C)(C)C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000057600734 402095089 /nfs/dbraw/zinc/09/50/89/402095089.db2.gz PKPIIBDDUNBGAM-UHFFFAOYSA-N 2 2 300.406 2.219 10 0 DEAELP C[N@@H+](CC(=O)NC(C)(C)C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000057600734 402095091 /nfs/dbraw/zinc/09/50/91/402095091.db2.gz PKPIIBDDUNBGAM-UHFFFAOYSA-N 2 2 300.406 2.219 10 0 DEAELP C[C@H]1C[C@@H]([NH+](C)CC(=O)NCc2ccc(Cl)cc2)CC[N@@H+]1C ZINC000123556056 402134471 /nfs/dbraw/zinc/13/44/71/402134471.db2.gz LDNNSXMHDJKRBZ-BBRMVZONSA-N 2 2 323.868 2.371 10 0 DEAELP C[C@H]1C[C@@H]([NH+](C)CC(=O)NCc2ccc(Cl)cc2)CC[N@H+]1C ZINC000123556056 402134475 /nfs/dbraw/zinc/13/44/75/402134475.db2.gz LDNNSXMHDJKRBZ-BBRMVZONSA-N 2 2 323.868 2.371 10 0 DEAELP C[C@H]1C[C@@H]([N@H+](C)CC(=O)NCc2ccc(Cl)cc2)CC[NH+]1C ZINC000123556056 402134478 /nfs/dbraw/zinc/13/44/78/402134478.db2.gz LDNNSXMHDJKRBZ-BBRMVZONSA-N 2 2 323.868 2.371 10 0 DEAELP C[C@H]1C[C@@H]([N@@H+](C)CC(=O)NCc2ccc(Cl)cc2)CC[NH+]1C ZINC000123556056 402134481 /nfs/dbraw/zinc/13/44/81/402134481.db2.gz LDNNSXMHDJKRBZ-BBRMVZONSA-N 2 2 323.868 2.371 10 0 DEAELP Cc1ccccc1CNC(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123592217 402137273 /nfs/dbraw/zinc/13/72/73/402137273.db2.gz USOFYONACBRODL-WBVHZDCISA-N 2 2 303.450 2.026 10 0 DEAELP Cc1ccccc1CNC(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123592217 402137275 /nfs/dbraw/zinc/13/72/75/402137275.db2.gz USOFYONACBRODL-WBVHZDCISA-N 2 2 303.450 2.026 10 0 DEAELP Cc1ccccc1CNC(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123592217 402137277 /nfs/dbraw/zinc/13/72/77/402137277.db2.gz USOFYONACBRODL-WBVHZDCISA-N 2 2 303.450 2.026 10 0 DEAELP Cc1ccccc1CNC(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123592217 402137279 /nfs/dbraw/zinc/13/72/79/402137279.db2.gz USOFYONACBRODL-WBVHZDCISA-N 2 2 303.450 2.026 10 0 DEAELP C[C@@H]([NH2+]C[C@]1(CCO)CCOC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000125699040 402245801 /nfs/dbraw/zinc/24/58/01/402245801.db2.gz MKTBMIUBWFTXKM-QAPCUYQASA-N 2 2 315.417 2.312 10 0 DEAELP Cc1[nH+]c2ccccc2n1CC(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000176904033 402348875 /nfs/dbraw/zinc/34/88/75/402348875.db2.gz LFOZYDOIIDBPLE-UHFFFAOYSA-N 2 2 323.400 2.440 10 0 DEAELP Cn1nccc1C1CC[NH+](Cc2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000177091609 402368524 /nfs/dbraw/zinc/36/85/24/402368524.db2.gz MKDSJYDVVGVQSX-UHFFFAOYSA-N 2 2 322.416 2.380 10 0 DEAELP CC1(C)Cc2cccc(C[NH2+]C[C@@H](O)C[NH+]3CCCCC3)c2O1 ZINC000161766666 402398048 /nfs/dbraw/zinc/39/80/48/402398048.db2.gz PGTCKJRYSQDNAB-QGZVFWFLSA-N 2 2 318.461 2.337 10 0 DEAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000163439946 402449939 /nfs/dbraw/zinc/44/99/39/402449939.db2.gz JNFFOEVKVIXLJD-HIFRSBDPSA-N 2 2 306.406 2.177 10 0 DEAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000163439946 402449942 /nfs/dbraw/zinc/44/99/42/402449942.db2.gz JNFFOEVKVIXLJD-HIFRSBDPSA-N 2 2 306.406 2.177 10 0 DEAELP Cc1ccc(N2CCC([NH2+][C@H]3CC[N@H+](C)[C@H](C)C3)CC2)[nH+]c1 ZINC000163454506 402450200 /nfs/dbraw/zinc/45/02/00/402450200.db2.gz FKNGOKXCQXWAFS-WBVHZDCISA-N 3 2 302.466 2.431 10 0 DEAELP Cc1ccc(N2CCC([NH2+][C@H]3CC[N@@H+](C)[C@H](C)C3)CC2)[nH+]c1 ZINC000163454506 402450203 /nfs/dbraw/zinc/45/02/03/402450203.db2.gz FKNGOKXCQXWAFS-WBVHZDCISA-N 3 2 302.466 2.431 10 0 DEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@H](O)COc1ccccc1 ZINC000178312112 402483104 /nfs/dbraw/zinc/48/31/04/402483104.db2.gz PQHHMPKESOHVEG-IRXDYDNUSA-N 2 2 315.417 2.096 10 0 DEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@H](O)COc1ccccc1 ZINC000178312112 402483109 /nfs/dbraw/zinc/48/31/09/402483109.db2.gz PQHHMPKESOHVEG-IRXDYDNUSA-N 2 2 315.417 2.096 10 0 DEAELP Cc1ccc(CN(C)CC[N@H+](C)C2CC[NH+](C)CC2)c(C)n1 ZINC000187363618 402496237 /nfs/dbraw/zinc/49/62/37/402496237.db2.gz MGTBTHBEOVIWCL-UHFFFAOYSA-N 2 2 304.482 2.156 10 0 DEAELP Cc1ccc(CN(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c(C)n1 ZINC000187363618 402496239 /nfs/dbraw/zinc/49/62/39/402496239.db2.gz MGTBTHBEOVIWCL-UHFFFAOYSA-N 2 2 304.482 2.156 10 0 DEAELP CCOCC[N@@H+]1CCN(Cc2[nH+]cc(C)c(OC)c2C)C[C@H]1C ZINC000246044259 402505521 /nfs/dbraw/zinc/50/55/21/402505521.db2.gz AZDQDFDQSZKMIL-OAHLLOKOSA-N 2 2 321.465 2.250 10 0 DEAELP CCC(C)(C)NC(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247057454 402555534 /nfs/dbraw/zinc/55/55/34/402555534.db2.gz ZOTXLGHWNPFLES-GOEBONIOSA-N 2 2 307.482 2.240 10 0 DEAELP CCC(C)(C)NC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247057454 402555537 /nfs/dbraw/zinc/55/55/37/402555537.db2.gz ZOTXLGHWNPFLES-GOEBONIOSA-N 2 2 307.482 2.240 10 0 DEAELP CCC(C)(C)NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000247057454 402555539 /nfs/dbraw/zinc/55/55/39/402555539.db2.gz ZOTXLGHWNPFLES-GOEBONIOSA-N 2 2 307.482 2.240 10 0 DEAELP CCC(C)(C)NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000247057454 402555542 /nfs/dbraw/zinc/55/55/42/402555542.db2.gz ZOTXLGHWNPFLES-GOEBONIOSA-N 2 2 307.482 2.240 10 0 DEAELP CC(C)[C@H](C)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000179227810 402582346 /nfs/dbraw/zinc/58/23/46/402582346.db2.gz GUKPLYCLYQDBNC-PMRDEQMMSA-N 2 2 307.482 2.048 10 0 DEAELP CC(C)[C@H](C)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000179227810 402582348 /nfs/dbraw/zinc/58/23/48/402582348.db2.gz GUKPLYCLYQDBNC-PMRDEQMMSA-N 2 2 307.482 2.048 10 0 DEAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccnn2C)C1 ZINC000190458925 402602470 /nfs/dbraw/zinc/60/24/70/402602470.db2.gz LGJQRXSLFVQDCG-AWEZNQCLSA-N 2 2 319.478 2.139 10 0 DEAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccnn2C)C1 ZINC000190458925 402602473 /nfs/dbraw/zinc/60/24/73/402602473.db2.gz LGJQRXSLFVQDCG-AWEZNQCLSA-N 2 2 319.478 2.139 10 0 DEAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccnn2C)C1 ZINC000190458925 402602477 /nfs/dbraw/zinc/60/24/77/402602477.db2.gz LGJQRXSLFVQDCG-AWEZNQCLSA-N 2 2 319.478 2.139 10 0 DEAELP Cc1ncsc1CC[NH+]1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000172536969 402661697 /nfs/dbraw/zinc/66/16/97/402661697.db2.gz ZGPUIQFPMJNUSV-CYBMUJFWSA-N 2 2 309.479 2.179 10 0 DEAELP Cc1ncsc1CC[NH+]1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000172536969 402661700 /nfs/dbraw/zinc/66/17/00/402661700.db2.gz ZGPUIQFPMJNUSV-CYBMUJFWSA-N 2 2 309.479 2.179 10 0 DEAELP Cc1ncsc1CC[NH+]1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000172536973 402661845 /nfs/dbraw/zinc/66/18/45/402661845.db2.gz ZGPUIQFPMJNUSV-ZDUSSCGKSA-N 2 2 309.479 2.179 10 0 DEAELP Cc1ncsc1CC[NH+]1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000172536973 402661848 /nfs/dbraw/zinc/66/18/48/402661848.db2.gz ZGPUIQFPMJNUSV-ZDUSSCGKSA-N 2 2 309.479 2.179 10 0 DEAELP Cc1cc(F)ccc1N1CCC[C@H]([N@@H+]2CC[C@](C)(C[NH3+])C2)C1=O ZINC000261915680 402719121 /nfs/dbraw/zinc/71/91/21/402719121.db2.gz YBCJDYMDNXLNRZ-FUHWJXTLSA-N 2 2 319.424 2.300 10 0 DEAELP Cc1cc(F)ccc1N1CCC[C@H]([N@H+]2CC[C@](C)(C[NH3+])C2)C1=O ZINC000261915680 402719127 /nfs/dbraw/zinc/71/91/27/402719127.db2.gz YBCJDYMDNXLNRZ-FUHWJXTLSA-N 2 2 319.424 2.300 10 0 DEAELP C[NH+]1CCC(CNC(=O)[C@@H]2CC=CCC2)([NH+]2CCCCC2)CC1 ZINC000172754189 402673701 /nfs/dbraw/zinc/67/37/01/402673701.db2.gz JPFNMRYDVLWLEU-QGZVFWFLSA-N 2 2 319.493 2.409 10 0 DEAELP C[NH+]1CCC(CNC(=O)C[C@H]2C=CCC2)([NH+]2CCCCC2)CC1 ZINC000172750947 402673770 /nfs/dbraw/zinc/67/37/70/402673770.db2.gz ZTTZZNKUXQWLAU-KRWDZBQOSA-N 2 2 319.493 2.409 10 0 DEAELP C[NH+]1CCN([C@@H]2CCCC[N@H+](Cc3cccc(Cl)n3)C2)CC1 ZINC000182909666 402726131 /nfs/dbraw/zinc/72/61/31/402726131.db2.gz ZPDORLPDECUTIJ-MRXNPFEDSA-N 2 2 322.884 2.337 10 0 DEAELP C[NH+]1CCN([C@@H]2CCCC[N@@H+](Cc3cccc(Cl)n3)C2)CC1 ZINC000182909666 402726134 /nfs/dbraw/zinc/72/61/34/402726134.db2.gz ZPDORLPDECUTIJ-MRXNPFEDSA-N 2 2 322.884 2.337 10 0 DEAELP c1cn(Cc2ccccc2)c(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)n1 ZINC000566590954 292254092 /nfs/dbraw/zinc/25/40/92/292254092.db2.gz NSVDJOFGPJBZKB-HNNXBMFYSA-N 2 2 307.401 2.302 10 0 DEAELP c1cn(Cc2ccccc2)c(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)n1 ZINC000566590954 292254093 /nfs/dbraw/zinc/25/40/93/292254093.db2.gz NSVDJOFGPJBZKB-HNNXBMFYSA-N 2 2 307.401 2.302 10 0 DEAELP c1c(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)nc2ncccn12 ZINC000298542075 403408526 /nfs/dbraw/zinc/40/85/26/403408526.db2.gz TUBWCLOMBURTDW-UHFFFAOYSA-N 2 2 313.449 2.474 10 0 DEAELP Cc1oncc1C[N@@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000346927332 403607194 /nfs/dbraw/zinc/60/71/94/403607194.db2.gz NEFWLVJTOWPQKX-WMLDXEAASA-N 2 2 317.437 2.231 10 0 DEAELP Cc1oncc1C[N@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000346927332 403607197 /nfs/dbraw/zinc/60/71/97/403607197.db2.gz NEFWLVJTOWPQKX-WMLDXEAASA-N 2 2 317.437 2.231 10 0 DEAELP Cc1oncc1C[NH+](C)C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000346927332 403607203 /nfs/dbraw/zinc/60/72/03/403607203.db2.gz NEFWLVJTOWPQKX-WMLDXEAASA-N 2 2 317.437 2.231 10 0 DEAELP Cc1oncc1C[NH+](C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000346927332 403607208 /nfs/dbraw/zinc/60/72/08/403607208.db2.gz NEFWLVJTOWPQKX-WMLDXEAASA-N 2 2 317.437 2.231 10 0 DEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@@H]1c1nncn1C ZINC000329759002 404443980 /nfs/dbraw/zinc/44/39/80/404443980.db2.gz OIHYBUHMXGWUMA-MRXNPFEDSA-N 2 2 323.404 2.041 10 0 DEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@@H]1c1nncn1C ZINC000329759002 404443989 /nfs/dbraw/zinc/44/39/89/404443989.db2.gz OIHYBUHMXGWUMA-MRXNPFEDSA-N 2 2 323.404 2.041 10 0 DEAELP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000379655275 405027301 /nfs/dbraw/zinc/02/73/01/405027301.db2.gz LFEJVBXZGBRSBE-MOPGFXCFSA-N 3 2 319.493 2.385 10 0 DEAELP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000379655275 405027304 /nfs/dbraw/zinc/02/73/04/405027304.db2.gz LFEJVBXZGBRSBE-MOPGFXCFSA-N 3 2 319.493 2.385 10 0 DEAELP CC(C)n1ncnc1C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381003178 405031080 /nfs/dbraw/zinc/03/10/80/405031080.db2.gz PNOMZAQQVSFYBQ-QGZVFWFLSA-N 2 2 313.449 2.471 10 0 DEAELP CC(C)n1ncnc1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000381003178 405031085 /nfs/dbraw/zinc/03/10/85/405031085.db2.gz PNOMZAQQVSFYBQ-QGZVFWFLSA-N 2 2 313.449 2.471 10 0 DEAELP c1cncc(C[NH2+]CCCNc2cc(N3CCCC3)nc[nH+]2)c1 ZINC000420177731 405292128 /nfs/dbraw/zinc/29/21/28/405292128.db2.gz CPEKALNYBHBVNL-UHFFFAOYSA-N 2 2 312.421 2.064 10 0 DEAELP c1cncc(C[NH2+]CCCNc2cc(N3CCCC3)[nH+]cn2)c1 ZINC000420177731 405292131 /nfs/dbraw/zinc/29/21/31/405292131.db2.gz CPEKALNYBHBVNL-UHFFFAOYSA-N 2 2 312.421 2.064 10 0 DEAELP CCc1[nH+]c2cc(CNC(=O)C[NH2+]C3CC3)ccc2n1C1CC1 ZINC000580433950 405614019 /nfs/dbraw/zinc/61/40/19/405614019.db2.gz GXEDODRWFSQWMW-UHFFFAOYSA-N 2 2 312.417 2.302 10 0 DEAELP CO[C@@]1(C[NH2+]C[C@]2(C)CCC[N@@H+]2Cc2ccccc2)CCOC1 ZINC000639072791 405862710 /nfs/dbraw/zinc/86/27/10/405862710.db2.gz ZTGVQJDRJGVFDV-RBUKOAKNSA-N 2 2 318.461 2.436 10 0 DEAELP CO[C@@]1(C[NH2+]C[C@]2(C)CCC[N@H+]2Cc2ccccc2)CCOC1 ZINC000639072791 405862720 /nfs/dbraw/zinc/86/27/20/405862720.db2.gz ZTGVQJDRJGVFDV-RBUKOAKNSA-N 2 2 318.461 2.436 10 0 DEAELP c1ccc([C@H]2C[C@H]([NH2+]C3COCCOC3)CC[N@H+]2C2CC2)cc1 ZINC000639201806 405969368 /nfs/dbraw/zinc/96/93/68/405969368.db2.gz MVJFAYVFKQCPML-VQIMIIECSA-N 2 2 316.445 2.360 10 0 DEAELP c1ccc([C@H]2C[C@H]([NH2+]C3COCCOC3)CC[N@@H+]2C2CC2)cc1 ZINC000639201806 405969375 /nfs/dbraw/zinc/96/93/75/405969375.db2.gz MVJFAYVFKQCPML-VQIMIIECSA-N 2 2 316.445 2.360 10 0 DEAELP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[N@H+](C)CCN2Cc2ccccc2)CS1 ZINC000639327189 406047291 /nfs/dbraw/zinc/04/72/91/406047291.db2.gz LMPNHJSMJAYARN-NXHRZFHOSA-N 2 2 319.518 2.286 10 0 DEAELP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[N@@H+](C)CCN2Cc2ccccc2)CS1 ZINC000639327189 406047297 /nfs/dbraw/zinc/04/72/97/406047297.db2.gz LMPNHJSMJAYARN-NXHRZFHOSA-N 2 2 319.518 2.286 10 0 DEAELP c1cn(CCCC2CC[NH+](C[C@H]3CCc4ncnn43)CC2)c[nH+]1 ZINC000639582565 406155120 /nfs/dbraw/zinc/15/51/20/406155120.db2.gz HWUAWQWSRWBHFM-MRXNPFEDSA-N 2 2 314.437 2.154 10 0 DEAELP c1cc2c(c([C@@H]3CCC[N@H+]3CC34CC(C3)C[NH2+]4)c1)OCCO2 ZINC000634992251 406389376 /nfs/dbraw/zinc/38/93/76/406389376.db2.gz JIHOEPIAZSZIPN-DBQDNQAGSA-N 2 2 300.402 2.347 10 0 DEAELP c1cc2c(c([C@@H]3CCC[N@@H+]3CC34CC(C3)C[NH2+]4)c1)OCCO2 ZINC000634992251 406389381 /nfs/dbraw/zinc/38/93/81/406389381.db2.gz JIHOEPIAZSZIPN-DBQDNQAGSA-N 2 2 300.402 2.347 10 0 DEAELP CC[N@@H+]1CCN(C(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)[C@H](C)C1 ZINC000553329397 406751138 /nfs/dbraw/zinc/75/11/38/406751138.db2.gz HERAPKWRKANTGY-KGLIPLIRSA-N 2 2 318.465 2.191 10 0 DEAELP CC[N@H+]1CCN(C(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)[C@H](C)C1 ZINC000553329397 406751140 /nfs/dbraw/zinc/75/11/40/406751140.db2.gz HERAPKWRKANTGY-KGLIPLIRSA-N 2 2 318.465 2.191 10 0 DEAELP CC[N@@H+]1CCN(C(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)[C@H](C)C1 ZINC000553329397 406751142 /nfs/dbraw/zinc/75/11/42/406751142.db2.gz HERAPKWRKANTGY-KGLIPLIRSA-N 2 2 318.465 2.191 10 0 DEAELP CC(C)C[NH2+]C[C@H](C)[C@@H](C)[NH+]1CCN(CC(F)(F)F)CC1 ZINC000128963889 196007858 /nfs/dbraw/zinc/00/78/58/196007858.db2.gz GQYWKYCLNSKRPS-UONOGXRCSA-N 2 2 309.420 2.437 10 0 DEAELP Brc1cccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000131091087 196138669 /nfs/dbraw/zinc/13/86/69/196138669.db2.gz MZNJIHYQQROEGZ-LLVKDONJSA-N 2 2 310.239 2.418 10 0 DEAELP Brc1cccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)n1 ZINC000131091087 196138671 /nfs/dbraw/zinc/13/86/71/196138671.db2.gz MZNJIHYQQROEGZ-LLVKDONJSA-N 2 2 310.239 2.418 10 0 DEAELP C[C@H]([NH2+]CCN1CCOC[C@@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000192791867 267745593 /nfs/dbraw/zinc/74/55/93/267745593.db2.gz FQVBFUCESMKIIV-HOTGVXAUSA-N 2 2 314.433 2.244 10 0 DEAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H](C)C2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000495606439 269159508 /nfs/dbraw/zinc/15/95/08/269159508.db2.gz YBHFMNLPFLYBHG-DZGCQCFKSA-N 2 2 311.470 2.316 10 0 DEAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H](C)C2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000495606439 269159509 /nfs/dbraw/zinc/15/95/09/269159509.db2.gz YBHFMNLPFLYBHG-DZGCQCFKSA-N 2 2 311.470 2.316 10 0 DEAELP C[C@@]1(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CC[NH2+]C1 ZINC000262033348 289163578 /nfs/dbraw/zinc/16/35/78/289163578.db2.gz OGGWFLLRUZPKRC-CRAIPNDOSA-N 3 2 302.466 2.398 10 0 DEAELP C[C@@]1(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CC[NH2+]C1 ZINC000262033348 289163581 /nfs/dbraw/zinc/16/35/81/289163581.db2.gz OGGWFLLRUZPKRC-CRAIPNDOSA-N 3 2 302.466 2.398 10 0 DEAELP C[C@@H]1CCCN(c2cc(NC[C@H](C3CC3)[NH+](C)C)nc[nH+]2)C1 ZINC000301979285 533704016 /nfs/dbraw/zinc/70/40/16/533704016.db2.gz HGYFEPWEPSEEGP-UKRRQHHQSA-N 2 2 303.454 2.465 10 0 DEAELP CC(C)OC[C@H](O)C[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000398165856 337307870 /nfs/dbraw/zinc/30/78/70/337307870.db2.gz TXILHSUGYPGJMN-KBAYOESNSA-N 2 2 306.450 2.025 10 0 DEAELP CC(C)OC[C@H](O)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000398165856 337307871 /nfs/dbraw/zinc/30/78/71/337307871.db2.gz TXILHSUGYPGJMN-KBAYOESNSA-N 2 2 306.450 2.025 10 0 DEAELP Clc1cccc2c(N3CC[N@@H+]4CCOC[C@H]4C3)cc[nH+]c12 ZINC000376433369 501018034 /nfs/dbraw/zinc/01/80/34/501018034.db2.gz HRKLQCORXXBRSD-GFCCVEGCSA-N 2 2 303.793 2.409 10 0 DEAELP Clc1cccc2c(N3CC[N@H+]4CCOC[C@H]4C3)cc[nH+]c12 ZINC000376433369 501018039 /nfs/dbraw/zinc/01/80/39/501018039.db2.gz HRKLQCORXXBRSD-GFCCVEGCSA-N 2 2 303.793 2.409 10 0 DEAELP Cc1nc(NC[C@@H](c2cnn(C)c2)[NH+](C)C)c2c([nH+]1)CCCC2 ZINC000302072720 534621860 /nfs/dbraw/zinc/62/18/60/534621860.db2.gz ZKPPTBIUAWEVLL-INIZCTEOSA-N 2 2 314.437 2.112 10 0 DEAELP Cc1nc(NC[C@H](C)[N@@H+]2CCOC[C@H]2C)c2c([nH+]1)CCCC2 ZINC000302063905 534623803 /nfs/dbraw/zinc/62/38/03/534623803.db2.gz VDQFKYCWFXAFFK-QWHCGFSZSA-N 2 2 304.438 2.185 10 0 DEAELP Cc1nc(NC[C@H](C)[N@H+]2CCOC[C@H]2C)c2c([nH+]1)CCCC2 ZINC000302063905 534623807 /nfs/dbraw/zinc/62/38/07/534623807.db2.gz VDQFKYCWFXAFFK-QWHCGFSZSA-N 2 2 304.438 2.185 10 0 DEAELP CC(=O)Nc1nc(C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cs1 ZINC000246490853 534773050 /nfs/dbraw/zinc/77/30/50/534773050.db2.gz GSLOGPXPKLFXIB-SMDDNHRTSA-N 2 2 319.434 2.381 10 0 DEAELP CC(=O)Nc1nc(C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cs1 ZINC000246490853 534773053 /nfs/dbraw/zinc/77/30/53/534773053.db2.gz GSLOGPXPKLFXIB-SMDDNHRTSA-N 2 2 319.434 2.381 10 0 DEAELP c1cn(-c2ccc(C[N@@H+]3CC[C@H](Oc4cccnc4)C3)cn2)c[nH+]1 ZINC000154705979 526522919 /nfs/dbraw/zinc/52/29/19/526522919.db2.gz NHIUHJDAYNIBNM-KRWDZBQOSA-N 2 2 321.384 2.316 10 0 DEAELP c1cn(-c2ccc(C[N@H+]3CC[C@H](Oc4cccnc4)C3)cn2)c[nH+]1 ZINC000154705979 526522926 /nfs/dbraw/zinc/52/29/26/526522926.db2.gz NHIUHJDAYNIBNM-KRWDZBQOSA-N 2 2 321.384 2.316 10 0 DEAELP CC(C)[C@H]1C[C@H]1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000249380024 535267294 /nfs/dbraw/zinc/26/72/94/535267294.db2.gz ZRVFMCHDZIMIKI-ZFHLEULCSA-N 2 2 319.493 2.048 10 0 DEAELP CC(C)[C@H]1C[C@H]1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000249380024 535267297 /nfs/dbraw/zinc/26/72/97/535267297.db2.gz ZRVFMCHDZIMIKI-ZFHLEULCSA-N 2 2 319.493 2.048 10 0 DEAELP CCCc1occc1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000374232848 535573141 /nfs/dbraw/zinc/57/31/41/535573141.db2.gz VFBKPTIBDVQJGB-CQSZACIVSA-N 2 2 319.449 2.130 10 0 DEAELP CCCc1occc1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000374232848 535573147 /nfs/dbraw/zinc/57/31/47/535573147.db2.gz VFBKPTIBDVQJGB-CQSZACIVSA-N 2 2 319.449 2.130 10 0 DEAELP CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261652069 536097861 /nfs/dbraw/zinc/09/78/61/536097861.db2.gz HMQSZEBEHSZWCN-CVEARBPZSA-N 2 2 319.449 2.472 10 0 DEAELP CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261652069 536097866 /nfs/dbraw/zinc/09/78/66/536097866.db2.gz HMQSZEBEHSZWCN-CVEARBPZSA-N 2 2 319.449 2.472 10 0 DEAELP C[NH+]1CCC(CC(=O)N2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000362444692 536335595 /nfs/dbraw/zinc/33/55/95/536335595.db2.gz IABHOENWOKNLQG-UHFFFAOYSA-N 2 2 321.490 2.124 10 0 DEAELP CCC[C@@H]1CC(=O)N(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)C1 ZINC000246155573 685124386 /nfs/dbraw/zinc/12/43/86/685124386.db2.gz IBYGZNRGQYFWGE-CVEARBPZSA-N 2 2 304.438 2.262 10 0 DEAELP CCC[C@@H]1CC(=O)N(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)C1 ZINC000246155573 685124387 /nfs/dbraw/zinc/12/43/87/685124387.db2.gz IBYGZNRGQYFWGE-CVEARBPZSA-N 2 2 304.438 2.262 10 0 DEAELP C[NH2+][C@](C)(CCC[N@@H+]1CCC[C@H](C(F)(F)F)C1)C(=O)OC ZINC000088435225 185249912 /nfs/dbraw/zinc/24/99/12/185249912.db2.gz DBYSJMHAZLFTPH-WCQYABFASA-N 2 2 310.360 2.192 10 0 DEAELP C[NH2+][C@](C)(CCC[N@H+]1CCC[C@H](C(F)(F)F)C1)C(=O)OC ZINC000088435225 185249913 /nfs/dbraw/zinc/24/99/13/185249913.db2.gz DBYSJMHAZLFTPH-WCQYABFASA-N 2 2 310.360 2.192 10 0 DEAELP C[NH+](C)[C@@H]1CC[C@H](NC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)C1 ZINC000341603197 282218136 /nfs/dbraw/zinc/21/81/36/282218136.db2.gz FUQRRJZYHWRYQD-MJBXVCDLSA-N 2 2 305.426 2.129 10 0 DEAELP C[C@H](c1cccc(Br)c1)[NH+]1CC(N2CC[NH2+]CC2)C1 ZINC000090308055 185290284 /nfs/dbraw/zinc/29/02/84/185290284.db2.gz MJOFUAFAVCEQFK-GFCCVEGCSA-N 2 2 324.266 2.100 10 0 DEAELP C[N@H+](C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)[C@H]1CCCC[C@@H]1O ZINC000328649782 529955021 /nfs/dbraw/zinc/95/50/21/529955021.db2.gz VCHNCXOESHLYPT-XSLAGTTESA-N 2 2 303.450 2.310 10 0 DEAELP C[N@@H+](C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)[C@H]1CCCC[C@@H]1O ZINC000328649782 529955022 /nfs/dbraw/zinc/95/50/22/529955022.db2.gz VCHNCXOESHLYPT-XSLAGTTESA-N 2 2 303.450 2.310 10 0 DEAELP C[NH+](C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)[C@H]1CCCC[C@@H]1O ZINC000328649782 529955024 /nfs/dbraw/zinc/95/50/24/529955024.db2.gz VCHNCXOESHLYPT-XSLAGTTESA-N 2 2 303.450 2.310 10 0 DEAELP C[NH+](C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)[C@H]1CCCC[C@@H]1O ZINC000328649782 529955025 /nfs/dbraw/zinc/95/50/25/529955025.db2.gz VCHNCXOESHLYPT-XSLAGTTESA-N 2 2 303.450 2.310 10 0 DEAELP O=C(NCCC[NH+]1CCCCCC1)[C@H]1CCCn2cc[nH+]c21 ZINC000080499528 192161763 /nfs/dbraw/zinc/16/17/63/192161763.db2.gz CSMLKLUWLVBGLL-HNNXBMFYSA-N 2 2 304.438 2.143 10 0 DEAELP Cn1cc[nH+]c1CN1Cc2c(cccc2C(F)(F)F)[C@H]1C[NH3+] ZINC000071684182 191008423 /nfs/dbraw/zinc/00/84/23/191008423.db2.gz WSLVQNMESSRFHG-CYBMUJFWSA-N 2 2 310.323 2.455 10 0 DEAELP Cc1nc(N2CCC([NH+](C)C)CC2)c(Br)c(C)[nH+]1 ZINC000322940744 539903336 /nfs/dbraw/zinc/90/33/36/539903336.db2.gz HPFYEPCVHIRCJD-UHFFFAOYSA-N 2 2 313.243 2.386 10 0 DEAELP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173920119 198270036 /nfs/dbraw/zinc/27/00/36/198270036.db2.gz HEMLEEYPVRFBFD-AWEZNQCLSA-N 2 2 300.406 2.390 10 0 DEAELP C[C@H]1C[C@H]([NH+](C)CC(=O)N(C)Cc2cccs2)CC[N@@H+]1C ZINC000174873773 198395655 /nfs/dbraw/zinc/39/56/55/198395655.db2.gz OHAJSQFTGCSGIE-UONOGXRCSA-N 2 2 309.479 2.121 10 0 DEAELP C[C@H]1C[C@H]([NH+](C)CC(=O)N(C)Cc2cccs2)CC[N@H+]1C ZINC000174873773 198395656 /nfs/dbraw/zinc/39/56/56/198395656.db2.gz OHAJSQFTGCSGIE-UONOGXRCSA-N 2 2 309.479 2.121 10 0 DEAELP C[C@H]1C[C@H]([N@H+](C)CC(=O)N(C)Cc2cccs2)CC[NH+]1C ZINC000174873773 198395659 /nfs/dbraw/zinc/39/56/59/198395659.db2.gz OHAJSQFTGCSGIE-UONOGXRCSA-N 2 2 309.479 2.121 10 0 DEAELP C[C@H]1C[C@H]([N@@H+](C)CC(=O)N(C)Cc2cccs2)CC[NH+]1C ZINC000174873773 198395661 /nfs/dbraw/zinc/39/56/61/198395661.db2.gz OHAJSQFTGCSGIE-UONOGXRCSA-N 2 2 309.479 2.121 10 0 DEAELP c1[nH]cc(C2CC[NH+](Cc3cnc(C4OCCO4)s3)CC2)[nH+]1 ZINC000368030611 283118214 /nfs/dbraw/zinc/11/82/14/283118214.db2.gz OKHWEXVNAHMOSM-UHFFFAOYSA-N 2 2 320.418 2.291 10 0 DEAELP CCc1nnc(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)n1C ZINC000185709193 356210492 /nfs/dbraw/zinc/21/04/92/356210492.db2.gz HQILWGUZDBRMOB-ZIAGYGMSSA-N 2 2 305.470 2.120 10 0 DEAELP CCc1nnc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)n1C ZINC000185709193 356210495 /nfs/dbraw/zinc/21/04/95/356210495.db2.gz HQILWGUZDBRMOB-ZIAGYGMSSA-N 2 2 305.470 2.120 10 0 DEAELP OCC[NH+]1CCC([NH2+]Cc2ccsc2Br)CC1 ZINC000399231407 356721725 /nfs/dbraw/zinc/72/17/25/356721725.db2.gz GPDQJOFSTZAAEI-UHFFFAOYSA-N 2 2 319.268 2.057 10 0 DEAELP O[C@@H](C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)CC(F)(F)F ZINC000189366894 200388476 /nfs/dbraw/zinc/38/84/76/200388476.db2.gz ATRQTRLDHZSMAM-VXGBXAGGSA-N 2 2 303.328 2.129 10 0 DEAELP O[C@@H](C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)CC(F)(F)F ZINC000189366894 200388477 /nfs/dbraw/zinc/38/84/77/200388477.db2.gz ATRQTRLDHZSMAM-VXGBXAGGSA-N 2 2 303.328 2.129 10 0 DEAELP O=C(NCC[NH+]1Cc2ccccc2C1)Nc1ccc2[nH+]ccn2c1 ZINC000606580490 361021379 /nfs/dbraw/zinc/02/13/79/361021379.db2.gz QWFNSEYRZIQGMP-UHFFFAOYSA-N 2 2 321.384 2.472 10 0 DEAELP CCS(=O)(=O)CCC[C@H]([NH2+]C)C(C)(C)[NH+]1CCCCCC1 ZINC000091568119 193074871 /nfs/dbraw/zinc/07/48/71/193074871.db2.gz SXRGLKOFLXAGDZ-HNNXBMFYSA-N 2 2 318.527 2.444 10 0 DEAELP CC[NH2+][C@H](Cc1c(Br)c(C)nn1CC)C[NH+](C)C ZINC000091719765 193097020 /nfs/dbraw/zinc/09/70/20/193097020.db2.gz XKAOBHYZJANUBL-LLVKDONJSA-N 2 2 317.275 2.056 10 0 DEAELP C[C@H]1C[C@@](C[NH3+])([NH+]2CCN(c3ccc(F)cc3)CC2)CS1 ZINC000094473241 193372629 /nfs/dbraw/zinc/37/26/29/193372629.db2.gz VOKHDUYUMXWYJM-BBRMVZONSA-N 2 2 309.454 2.171 10 0 DEAELP C[NH2+][C@@H](Cc1cc(Cl)ccc1Cl)[C@@H]1C[NH+]2CCN1CC2 ZINC000094509177 193375330 /nfs/dbraw/zinc/37/53/30/193375330.db2.gz CQXMTVLGRBLTPW-GJZGRUSLSA-N 2 2 314.260 2.124 10 0 DEAELP C[NH2+][C@@H]1CC(C)(C)Cc2nc([C@H]3C[NH+]4CCN3CC4)sc21 ZINC000094511057 193375798 /nfs/dbraw/zinc/37/57/98/193375798.db2.gz SLWNXGZVUQCWJA-DGCLKSJQSA-N 2 2 306.479 2.048 10 0 DEAELP COc1ccc(Br)c(Cn2c[nH+]c(CC[NH3+])c2)c1 ZINC000094529552 193376984 /nfs/dbraw/zinc/37/69/84/193376984.db2.gz PPCJQJQTPKIGKY-UHFFFAOYSA-N 2 2 310.195 2.204 10 0 DEAELP CCn1cc[nH+]c1[C@H](C)NC(=O)NCCC1CC[NH+](CC)CC1 ZINC000454641286 246016610 /nfs/dbraw/zinc/01/66/10/246016610.db2.gz FJQBAYISEXUYEW-AWEZNQCLSA-N 2 2 321.469 2.385 10 0 DEAELP C[NH+](C)C1CC[NH+](CCNC(=O)NCC2CCCCCC2)CC1 ZINC000458603687 248393373 /nfs/dbraw/zinc/39/33/73/248393373.db2.gz VAWNMSROHFVAOQ-UHFFFAOYSA-N 2 2 324.513 2.282 10 0 DEAELP COc1cc(C[NH2+]CCC[NH+]2CCOCC2)ccc1OC(C)C ZINC000040719624 183123746 /nfs/dbraw/zinc/12/37/46/183123746.db2.gz MHIHDPONSMFHBQ-UHFFFAOYSA-N 2 2 322.449 2.294 10 0 DEAELP CN(C(=O)Cc1cn2cc(Cl)ccc2[nH+]1)C1CC[NH+](C)CC1 ZINC000041291710 183183604 /nfs/dbraw/zinc/18/36/04/183183604.db2.gz IGGJMQHCXQTOGD-UHFFFAOYSA-N 2 2 320.824 2.083 10 0 DEAELP CC[C@H]([NH3+])[C@H](c1sccc1C)[NH+]1CCC(C(=O)NC)CC1 ZINC000043248020 183347082 /nfs/dbraw/zinc/34/70/82/183347082.db2.gz MUXSEORDHDVPIF-UONOGXRCSA-N 2 2 309.479 2.293 10 0 DEAELP C[C@@H](CC[NH+](C)C)Nc1[nH+]c2c(cc1C(N)=S)CCCC2 ZINC000043410949 183359606 /nfs/dbraw/zinc/35/96/06/183359606.db2.gz KDCLNNYDGSFINE-NSHDSACASA-N 2 2 306.479 2.347 10 0 DEAELP CC[NH2+][C@@H]1CCCc2nc(N3CCn4cc[nH+]c4C3)sc21 ZINC000062327756 184230968 /nfs/dbraw/zinc/23/09/68/184230968.db2.gz XYHUSIVOJVJNBB-LLVKDONJSA-N 2 2 303.435 2.347 10 0 DEAELP CCC[C@]1(C[NH+]2CCN(c3nccs3)CC2)CCC[NH2+]C1 ZINC000062861695 184256946 /nfs/dbraw/zinc/25/69/46/184256946.db2.gz QBSXGUGVQMHTSD-INIZCTEOSA-N 2 2 308.495 2.435 10 0 DEAELP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3nc(-c4ccoc4)no3)CC[C@@H]21 ZINC000158758689 197299030 /nfs/dbraw/zinc/29/90/30/197299030.db2.gz GGOVKTKOQULNBC-OCCSQVGLSA-N 2 2 302.378 2.246 10 0 DEAELP C[N@H+]1CCC[C@@H]2C[NH+](Cc3nc(-c4ccoc4)no3)CC[C@@H]21 ZINC000158758689 197299031 /nfs/dbraw/zinc/29/90/31/197299031.db2.gz GGOVKTKOQULNBC-OCCSQVGLSA-N 2 2 302.378 2.246 10 0 DEAELP C[NH+]1CCC[C@@H]2C[N@H+](Cc3nc(-c4ccoc4)no3)CC[C@@H]21 ZINC000158758689 197299033 /nfs/dbraw/zinc/29/90/33/197299033.db2.gz GGOVKTKOQULNBC-OCCSQVGLSA-N 2 2 302.378 2.246 10 0 DEAELP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3nc(-c4ccoc4)no3)CC[C@@H]21 ZINC000158758689 197299035 /nfs/dbraw/zinc/29/90/35/197299035.db2.gz GGOVKTKOQULNBC-OCCSQVGLSA-N 2 2 302.378 2.246 10 0 DEAELP C[C@H]1C[N@H+](Cc2cnc(NC(=O)C3(C)CC3)s2)CC[C@H]1[NH3+] ZINC000725272975 542771039 /nfs/dbraw/zinc/77/10/39/542771039.db2.gz WQJBFXIJMTZXEG-CMPLNLGQSA-N 2 2 308.451 2.051 10 0 DEAELP C[C@H]1C[N@@H+](Cc2cnc(NC(=O)C3(C)CC3)s2)CC[C@H]1[NH3+] ZINC000725272975 542771042 /nfs/dbraw/zinc/77/10/42/542771042.db2.gz WQJBFXIJMTZXEG-CMPLNLGQSA-N 2 2 308.451 2.051 10 0 DEAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCOc1cccc(Br)c1 ZINC000358012884 133115584 /nfs/dbraw/zinc/11/55/84/133115584.db2.gz BLEMAXFWQHMZOC-BXUZGUMPSA-N 2 2 313.239 2.368 10 0 DEAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCOc1cccc(Br)c1 ZINC000358012884 133115585 /nfs/dbraw/zinc/11/55/85/133115585.db2.gz BLEMAXFWQHMZOC-BXUZGUMPSA-N 2 2 313.239 2.368 10 0 DEAELP c1cn(CCC[NH+]2CCC(c3nnc4ccccn43)CC2)c[nH+]1 ZINC000183177782 144926203 /nfs/dbraw/zinc/92/62/03/144926203.db2.gz FPQFSNKHCFLERE-UHFFFAOYSA-N 2 2 310.405 2.196 10 0 DEAELP C[C@H]1CC[C@](CO)([N@H+](C)Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000187908384 145004918 /nfs/dbraw/zinc/00/49/18/145004918.db2.gz VSALUCWHQQWYTF-YOEHRIQHSA-N 2 2 300.406 2.250 10 0 DEAELP C[C@H]1CC[C@](CO)([N@@H+](C)Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000187908384 145004919 /nfs/dbraw/zinc/00/49/19/145004919.db2.gz VSALUCWHQQWYTF-YOEHRIQHSA-N 2 2 300.406 2.250 10 0 DEAELP CCn1cc([C@H]2C[N@H+](CCCCn3cc[nH+]c3C)CCO2)cn1 ZINC000190756984 145047503 /nfs/dbraw/zinc/04/75/03/145047503.db2.gz JOAXKTVROYZHKI-QGZVFWFLSA-N 2 2 317.437 2.262 10 0 DEAELP CCn1cc([C@H]2C[N@@H+](CCCCn3cc[nH+]c3C)CCO2)cn1 ZINC000190756984 145047506 /nfs/dbraw/zinc/04/75/06/145047506.db2.gz JOAXKTVROYZHKI-QGZVFWFLSA-N 2 2 317.437 2.262 10 0 DEAELP Cc1cc(=O)[nH]c([C@H](C)[NH+]2CCC(Cc3[nH+]ccn3C)CC2)n1 ZINC000192576852 145074963 /nfs/dbraw/zinc/07/49/63/145074963.db2.gz SURPQNGIYDFFJF-ZDUSSCGKSA-N 2 2 315.421 2.240 10 0 DEAELP Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](CC[NH2+]C(C)C)C2)n1 ZINC000193466100 145086226 /nfs/dbraw/zinc/08/62/26/145086226.db2.gz BJKAOGYNIQBRJB-OAHLLOKOSA-N 2 2 304.438 2.039 10 0 DEAELP Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](CC[NH2+]C(C)C)C2)n1 ZINC000193466100 145086227 /nfs/dbraw/zinc/08/62/27/145086227.db2.gz BJKAOGYNIQBRJB-OAHLLOKOSA-N 2 2 304.438 2.039 10 0 DEAELP Cc1ccc(N2CC[C@H]([NH2+][C@H]3CC[N@H+](C)[C@@H](C)C3)C2=O)cc1 ZINC000246418104 145101988 /nfs/dbraw/zinc/10/19/88/145101988.db2.gz NAOAWKKWJPETJW-ZOBUZTSGSA-N 2 2 301.434 2.173 10 0 DEAELP Cc1ccc(N2CC[C@H]([NH2+][C@H]3CC[N@@H+](C)[C@@H](C)C3)C2=O)cc1 ZINC000246418104 145101990 /nfs/dbraw/zinc/10/19/90/145101990.db2.gz NAOAWKKWJPETJW-ZOBUZTSGSA-N 2 2 301.434 2.173 10 0 DEAELP Cc1[nH+]c2ccccc2n1CC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000247154556 145127227 /nfs/dbraw/zinc/12/72/27/145127227.db2.gz KFDYCDLPNFSQRS-UKRRQHHQSA-N 2 2 312.417 2.040 10 0 DEAELP Cc1[nH+]c2ccccc2n1CC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000247154556 145127229 /nfs/dbraw/zinc/12/72/29/145127229.db2.gz KFDYCDLPNFSQRS-UKRRQHHQSA-N 2 2 312.417 2.040 10 0 DEAELP CC(C)[C@@H]1C[C@@H]1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000249380016 145183604 /nfs/dbraw/zinc/18/36/04/145183604.db2.gz ZRVFMCHDZIMIKI-MPBYHJMHSA-N 2 2 319.493 2.048 10 0 DEAELP CC(C)[C@@H]1C[C@@H]1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000249380016 145183605 /nfs/dbraw/zinc/18/36/05/145183605.db2.gz ZRVFMCHDZIMIKI-MPBYHJMHSA-N 2 2 319.493 2.048 10 0 DEAELP Cc1cccc(NC(=O)N2CC[NH+](C[C@]3(C)CC[NH2+]C3)CC2)c1 ZINC000261729233 145221404 /nfs/dbraw/zinc/22/14/04/145221404.db2.gz GXTPQUJZBWCDHS-GOSISDBHSA-N 2 2 316.449 2.144 10 0 DEAELP C[C@H](c1ccccc1)N(C)C(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261800783 145228095 /nfs/dbraw/zinc/22/80/95/145228095.db2.gz UTJHCHMTFKIDQQ-NAZJXLNTSA-N 2 2 315.461 2.421 10 0 DEAELP C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261800783 145228098 /nfs/dbraw/zinc/22/80/98/145228098.db2.gz UTJHCHMTFKIDQQ-NAZJXLNTSA-N 2 2 315.461 2.421 10 0 DEAELP Cc1ccc2[nH]c(C[NH2+][C@@H]3CCC[C@H]3[C@H]3COCC[NH2+]3)nc2c1 ZINC000261861093 145234736 /nfs/dbraw/zinc/23/47/36/145234736.db2.gz CEALQCPKNSECCJ-CKEIUWERSA-N 2 2 314.433 2.118 10 0 DEAELP Cc1ccc2nc(C[NH2+][C@@H]3CCC[C@H]3[C@H]3COCC[NH2+]3)[nH]c2c1 ZINC000261861093 145234739 /nfs/dbraw/zinc/23/47/39/145234739.db2.gz CEALQCPKNSECCJ-CKEIUWERSA-N 2 2 314.433 2.118 10 0 DEAELP Cc1ccn2c(CN3CC[NH2+]C[C@@H]3c3ccncc3)c[nH+]c2c1 ZINC000262115673 145263117 /nfs/dbraw/zinc/26/31/17/145263117.db2.gz WVWUBIDNXSSSFX-QGZVFWFLSA-N 2 2 307.401 2.184 10 0 DEAELP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cc(C(F)(F)F)ccc1Cl ZINC000262122081 145263571 /nfs/dbraw/zinc/26/35/71/145263571.db2.gz MJCKSHOZSBGZEH-SKDRFNHKSA-N 2 2 308.731 2.029 10 0 DEAELP C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000262518949 145289809 /nfs/dbraw/zinc/28/98/09/145289809.db2.gz NWQPFCDFRQAABU-HOCLYGCPSA-N 2 2 303.450 2.265 10 0 DEAELP C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000262518949 145289811 /nfs/dbraw/zinc/28/98/11/145289811.db2.gz NWQPFCDFRQAABU-HOCLYGCPSA-N 2 2 303.450 2.265 10 0 DEAELP [NH3+][C@H]1CCCC[C@H]1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000262576579 145295099 /nfs/dbraw/zinc/29/50/99/145295099.db2.gz YFWFMPFYOADSFR-HOCLYGCPSA-N 2 2 321.490 2.300 10 0 DEAELP c1ccc2c(c1)CC[C@@H](C[N@H+]1CC[C@@H](C[NH+]3CCOCC3)C1)C2 ZINC000359576417 147354295 /nfs/dbraw/zinc/35/42/95/147354295.db2.gz AHHHXDHBIMLRPJ-MSOLQXFVSA-N 2 2 314.473 2.446 10 0 DEAELP c1ccc2c(c1)CC[C@@H](C[N@@H+]1CC[C@@H](C[NH+]3CCOCC3)C1)C2 ZINC000359576417 147354298 /nfs/dbraw/zinc/35/42/98/147354298.db2.gz AHHHXDHBIMLRPJ-MSOLQXFVSA-N 2 2 314.473 2.446 10 0 DEAELP CC1(C)NC(=[NH2+])NC(=[NH2+])N1OCc1ccc(Cl)c(Cl)c1 ZINC000000001180 401687435 /nfs/dbraw/zinc/68/74/35/401687435.db2.gz XDTNOYLBDDCJSK-UHFFFAOYSA-N 2 2 316.192 2.106 10 0 in-man DEAELP C[N@H+](CC(=O)NC(C)(C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114480906 401801640 /nfs/dbraw/zinc/80/16/40/401801640.db2.gz UWJLDCVSOFVEHG-UHFFFAOYSA-N 2 2 317.477 2.498 10 0 DEAELP C[N@@H+](CC(=O)NC(C)(C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114480906 401801642 /nfs/dbraw/zinc/80/16/42/401801642.db2.gz UWJLDCVSOFVEHG-UHFFFAOYSA-N 2 2 317.477 2.498 10 0 DEAELP CCc1ccc(C[NH+]2CCN(CCn3cc[nH+]c3)CC2)s1 ZINC000131416969 401849701 /nfs/dbraw/zinc/84/97/01/401849701.db2.gz MSJUAEHFDDLLON-UHFFFAOYSA-N 2 2 304.463 2.325 10 0 DEAELP Cc1noc(C)c1C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000119542024 401957774 /nfs/dbraw/zinc/95/77/74/401957774.db2.gz BBYNWPCXJANTJY-SJPCQFCGSA-N 2 2 318.465 2.034 10 0 DEAELP Cc1noc(C)c1C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000119542024 401957775 /nfs/dbraw/zinc/95/77/75/401957775.db2.gz BBYNWPCXJANTJY-SJPCQFCGSA-N 2 2 318.465 2.034 10 0 DEAELP Cc1noc(C)c1CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000119542024 401957778 /nfs/dbraw/zinc/95/77/78/401957778.db2.gz BBYNWPCXJANTJY-SJPCQFCGSA-N 2 2 318.465 2.034 10 0 DEAELP Cc1noc(C)c1CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000119542024 401957780 /nfs/dbraw/zinc/95/77/80/401957780.db2.gz BBYNWPCXJANTJY-SJPCQFCGSA-N 2 2 318.465 2.034 10 0 DEAELP CC(C)Cc1ncc(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)s1 ZINC000093665550 402018667 /nfs/dbraw/zinc/01/86/67/402018667.db2.gz QAECTSHGZAQCCA-HNNXBMFYSA-N 2 2 323.506 2.496 10 0 DEAELP CC(C)Cc1ncc(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)s1 ZINC000093665550 402018669 /nfs/dbraw/zinc/01/86/69/402018669.db2.gz QAECTSHGZAQCCA-HNNXBMFYSA-N 2 2 323.506 2.496 10 0 DEAELP C[C@H]1C[C@@H]([NH+](C)CC(=O)N2CCCc3ccccc32)CC[N@@H+]1C ZINC000123022983 402106643 /nfs/dbraw/zinc/10/66/43/402106643.db2.gz UQKAEYMQFBIYOZ-RDJZCZTQSA-N 2 2 315.461 2.380 10 0 DEAELP C[C@H]1C[C@@H]([NH+](C)CC(=O)N2CCCc3ccccc32)CC[N@H+]1C ZINC000123022983 402106646 /nfs/dbraw/zinc/10/66/46/402106646.db2.gz UQKAEYMQFBIYOZ-RDJZCZTQSA-N 2 2 315.461 2.380 10 0 DEAELP C[C@H]1C[C@@H]([N@H+](C)CC(=O)N2CCCc3ccccc32)CC[NH+]1C ZINC000123022983 402106649 /nfs/dbraw/zinc/10/66/49/402106649.db2.gz UQKAEYMQFBIYOZ-RDJZCZTQSA-N 2 2 315.461 2.380 10 0 DEAELP C[C@H]1C[C@@H]([N@@H+](C)CC(=O)N2CCCc3ccccc32)CC[NH+]1C ZINC000123022983 402106651 /nfs/dbraw/zinc/10/66/51/402106651.db2.gz UQKAEYMQFBIYOZ-RDJZCZTQSA-N 2 2 315.461 2.380 10 0 DEAELP COc1cccc(NC(=O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000123557170 402134010 /nfs/dbraw/zinc/13/40/10/402134010.db2.gz PCVVHGRYOFMEOJ-UKRRQHHQSA-N 2 2 305.422 2.048 10 0 DEAELP COc1cccc(NC(=O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000123557170 402134011 /nfs/dbraw/zinc/13/40/11/402134011.db2.gz PCVVHGRYOFMEOJ-UKRRQHHQSA-N 2 2 305.422 2.048 10 0 DEAELP COc1cccc(NC(=O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000123557170 402134014 /nfs/dbraw/zinc/13/40/14/402134014.db2.gz PCVVHGRYOFMEOJ-UKRRQHHQSA-N 2 2 305.422 2.048 10 0 DEAELP COc1cccc(NC(=O)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000123557170 402134015 /nfs/dbraw/zinc/13/40/15/402134015.db2.gz PCVVHGRYOFMEOJ-UKRRQHHQSA-N 2 2 305.422 2.048 10 0 DEAELP CC(C)[C@@H](C)CC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000154137105 402194751 /nfs/dbraw/zinc/19/47/51/402194751.db2.gz ISMNCINVHSWRSF-XNHLSEOASA-N 2 2 321.509 2.438 10 0 DEAELP CC(C)[C@@H](C)CC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000154137105 402194753 /nfs/dbraw/zinc/19/47/53/402194753.db2.gz ISMNCINVHSWRSF-XNHLSEOASA-N 2 2 321.509 2.438 10 0 DEAELP COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)cc1NC(C)=O ZINC000154609267 402221364 /nfs/dbraw/zinc/22/13/64/402221364.db2.gz AFBONLIWTZTVDP-SWLSCSKDSA-N 2 2 305.422 2.398 10 0 DEAELP COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)cc1NC(C)=O ZINC000154609267 402221368 /nfs/dbraw/zinc/22/13/68/402221368.db2.gz AFBONLIWTZTVDP-SWLSCSKDSA-N 2 2 305.422 2.398 10 0 DEAELP C[C@@H]1CCCN(c2cc(N3CC[NH+](CC4CC4)CC3)nc[nH+]2)C1 ZINC000110246837 402284065 /nfs/dbraw/zinc/28/40/65/402284065.db2.gz FWTRVWWCKKWUJI-OAHLLOKOSA-N 2 2 315.465 2.245 10 0 DEAELP CCC[NH+]1CCC([N@H+](C)Cc2cc(-c3cnn(C)c3)no2)CC1 ZINC000185017725 402317542 /nfs/dbraw/zinc/31/75/42/402317542.db2.gz HEPRFGZTGAMDPF-UHFFFAOYSA-N 2 2 317.437 2.381 10 0 DEAELP CCC[NH+]1CCC([N@@H+](C)Cc2cc(-c3cnn(C)c3)no2)CC1 ZINC000185017725 402317543 /nfs/dbraw/zinc/31/75/43/402317543.db2.gz HEPRFGZTGAMDPF-UHFFFAOYSA-N 2 2 317.437 2.381 10 0 DEAELP C[C@@H]1C[N@@H+](C2CC[NH+](CCN(C)c3ccccc3)CC2)CCO1 ZINC000177280039 402387296 /nfs/dbraw/zinc/38/72/96/402387296.db2.gz BJCMUPHGXDTYFI-QGZVFWFLSA-N 2 2 317.477 2.308 10 0 DEAELP C[C@@H]1C[N@H+](C2CC[NH+](CCN(C)c3ccccc3)CC2)CCO1 ZINC000177280039 402387298 /nfs/dbraw/zinc/38/72/98/402387298.db2.gz BJCMUPHGXDTYFI-QGZVFWFLSA-N 2 2 317.477 2.308 10 0 DEAELP Cc1nnc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)n1C1CC1 ZINC000178317091 402484238 /nfs/dbraw/zinc/48/42/38/402484238.db2.gz KFKSHFOIXOSNIX-OAHLLOKOSA-N 2 2 300.410 2.091 10 0 DEAELP Cc1nnc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)n1C1CC1 ZINC000178317091 402484240 /nfs/dbraw/zinc/48/42/40/402484240.db2.gz KFKSHFOIXOSNIX-OAHLLOKOSA-N 2 2 300.410 2.091 10 0 DEAELP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1nccn1C ZINC000246078902 402508194 /nfs/dbraw/zinc/50/81/94/402508194.db2.gz UQEYEYZFTTVHQV-YQQAZPJKSA-N 2 2 313.449 2.376 10 0 DEAELP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1nccn1C ZINC000246078902 402508195 /nfs/dbraw/zinc/50/81/95/402508195.db2.gz UQEYEYZFTTVHQV-YQQAZPJKSA-N 2 2 313.449 2.376 10 0 DEAELP CC(C)Cn1cc[nH+]c1CNC(=O)C[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000178809754 402542818 /nfs/dbraw/zinc/54/28/18/402542818.db2.gz ABASUENUVFAVNO-LSDHHAIUSA-N 2 2 306.454 2.181 10 0 DEAELP C[C@H](C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)CS(C)(=O)=O ZINC000189914515 402567031 /nfs/dbraw/zinc/56/70/31/402567031.db2.gz PYGWVYFCSWMAGP-KGLIPLIRSA-N 2 2 321.446 2.204 10 0 DEAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2cncs2)C1 ZINC000190488598 402605409 /nfs/dbraw/zinc/60/54/09/402605409.db2.gz NLELJTMFBQHGDJ-OAHLLOKOSA-N 2 2 302.447 2.492 10 0 DEAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2cncs2)C1 ZINC000190488598 402605410 /nfs/dbraw/zinc/60/54/10/402605410.db2.gz NLELJTMFBQHGDJ-OAHLLOKOSA-N 2 2 302.447 2.492 10 0 DEAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](Cc2cncs2)C1 ZINC000190488598 402605411 /nfs/dbraw/zinc/60/54/11/402605411.db2.gz NLELJTMFBQHGDJ-OAHLLOKOSA-N 2 2 302.447 2.492 10 0 DEAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](Cc2cncs2)C1 ZINC000190488598 402605413 /nfs/dbraw/zinc/60/54/13/402605413.db2.gz NLELJTMFBQHGDJ-OAHLLOKOSA-N 2 2 302.447 2.492 10 0 DEAELP CCCC[C@@H](COC)[NH2+]C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000180571216 402620402 /nfs/dbraw/zinc/62/04/02/402620402.db2.gz CKTUSESZYHWELL-LSDHHAIUSA-N 2 2 321.469 2.282 10 0 DEAELP Cc1c([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)cnn1C(C)(C)C ZINC000191202928 402650562 /nfs/dbraw/zinc/65/05/62/402650562.db2.gz ZTOLGECSZLSKEW-ZBFHGGJFSA-N 2 2 322.497 2.444 10 0 DEAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(OC)c(OC)c1 ZINC000173380331 402695174 /nfs/dbraw/zinc/69/51/74/402695174.db2.gz YHMIJXXQSIPDPN-ZBFHGGJFSA-N 2 2 322.449 2.465 10 0 DEAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(OC)c(OC)c1 ZINC000173380331 402695176 /nfs/dbraw/zinc/69/51/76/402695176.db2.gz YHMIJXXQSIPDPN-ZBFHGGJFSA-N 2 2 322.449 2.465 10 0 DEAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccccc2OC)[C@H](C)C1 ZINC000174776811 402757037 /nfs/dbraw/zinc/75/70/37/402757037.db2.gz PLJPXVFHZFIVPO-GDBMZVCRSA-N 2 2 319.449 2.296 10 0 DEAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccccc2OC)[C@H](C)C1 ZINC000174776811 402757039 /nfs/dbraw/zinc/75/70/39/402757039.db2.gz PLJPXVFHZFIVPO-GDBMZVCRSA-N 2 2 319.449 2.296 10 0 DEAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccccc2OC)[C@H](C)C1 ZINC000174776811 402757042 /nfs/dbraw/zinc/75/70/42/402757042.db2.gz PLJPXVFHZFIVPO-GDBMZVCRSA-N 2 2 319.449 2.296 10 0 DEAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccccc2OC)[C@H](C)C1 ZINC000174776811 402757045 /nfs/dbraw/zinc/75/70/45/402757045.db2.gz PLJPXVFHZFIVPO-GDBMZVCRSA-N 2 2 319.449 2.296 10 0 DEAELP CC(C)N(C(=O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)C(C)C ZINC000195515672 402848640 /nfs/dbraw/zinc/84/86/40/402848640.db2.gz CPFZRFHXDZLEKP-INIZCTEOSA-N 2 2 318.465 2.461 10 0 DEAELP CC(C)N(C(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)C(C)C ZINC000195515672 402848642 /nfs/dbraw/zinc/84/86/42/402848642.db2.gz CPFZRFHXDZLEKP-INIZCTEOSA-N 2 2 318.465 2.461 10 0 DEAELP NC(=O)C1CCC([NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000302872309 403738143 /nfs/dbraw/zinc/73/81/43/403738143.db2.gz LJOPWQYJLGYDEM-ABHNRTSZSA-N 2 2 315.461 2.285 10 0 DEAELP NC(=O)C1CCC([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000302872309 403738146 /nfs/dbraw/zinc/73/81/46/403738146.db2.gz LJOPWQYJLGYDEM-ABHNRTSZSA-N 2 2 315.461 2.285 10 0 DEAELP C[C@H]1C[C@@H]([NH2+]C2CCC(C(N)=O)CC2)C[N@@H+]1Cc1ccccc1 ZINC000303491656 403755346 /nfs/dbraw/zinc/75/53/46/403755346.db2.gz ZUCUZIRIKWIBPH-IWCVFHTOSA-N 2 2 315.461 2.283 10 0 DEAELP C[C@H]1C[C@@H]([NH2+]C2CCC(C(N)=O)CC2)C[N@H+]1Cc1ccccc1 ZINC000303491656 403755347 /nfs/dbraw/zinc/75/53/47/403755347.db2.gz ZUCUZIRIKWIBPH-IWCVFHTOSA-N 2 2 315.461 2.283 10 0 DEAELP Cn1c[nH+]cc1[C@@H]1C[C@@H]([NH2+]Cc2c[nH]nc2C(C)(C)C)CCO1 ZINC000328626404 404120456 /nfs/dbraw/zinc/12/04/56/404120456.db2.gz FALYDPFDSJMGHD-ZFWWWQNUSA-N 2 2 317.437 2.451 10 0 DEAELP C[C@@]1(C[NH2+][C@@H]2CCCNC(=O)C2)CCC[N@@H+]1Cc1ccccc1 ZINC000397967861 405060411 /nfs/dbraw/zinc/06/04/11/405060411.db2.gz YRHJANRJGZLBDC-MJGOQNOKSA-N 2 2 315.461 2.299 10 0 DEAELP C[C@@]1(C[NH2+][C@@H]2CCCNC(=O)C2)CCC[N@H+]1Cc1ccccc1 ZINC000397967861 405060415 /nfs/dbraw/zinc/06/04/15/405060415.db2.gz YRHJANRJGZLBDC-MJGOQNOKSA-N 2 2 315.461 2.299 10 0 DEAELP CCO[C@H]1C[C@H]([NH2+]CC[NH+]2CCC(C)CC2)C12CCOCC2 ZINC000186246055 286540157 /nfs/dbraw/zinc/54/01/57/286540157.db2.gz ZTAGBYKCDXHOBC-IRXDYDNUSA-N 2 2 310.482 2.282 10 0 DEAELP c1[nH+]c([C@@H]2CCC[N@@H+](CC[C@@H]3CC[NH2+]C3)C2)n2c1CCCC2 ZINC000420378957 405338582 /nfs/dbraw/zinc/33/85/82/405338582.db2.gz UURKKIMUMUCYKZ-JKSUJKDBSA-N 3 2 302.466 2.398 10 0 DEAELP c1[nH+]c([C@@H]2CCC[N@H+](CC[C@@H]3CC[NH2+]C3)C2)n2c1CCCC2 ZINC000420378957 405338583 /nfs/dbraw/zinc/33/85/83/405338583.db2.gz UURKKIMUMUCYKZ-JKSUJKDBSA-N 3 2 302.466 2.398 10 0 DEAELP CCn1nncc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000459416346 405894156 /nfs/dbraw/zinc/89/41/56/405894156.db2.gz XGURSVTVEQOMIF-YJBOKZPZSA-N 2 2 313.449 2.298 10 0 DEAELP CCn1nncc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000459416346 405894163 /nfs/dbraw/zinc/89/41/63/405894163.db2.gz XGURSVTVEQOMIF-YJBOKZPZSA-N 2 2 313.449 2.298 10 0 DEAELP c1ccc([C@H]2C[C@@H]([NH2+]C3COCCOC3)CC[N@H+]2C2CC2)cc1 ZINC000639201805 405968055 /nfs/dbraw/zinc/96/80/55/405968055.db2.gz MVJFAYVFKQCPML-QFBILLFUSA-N 2 2 316.445 2.360 10 0 DEAELP c1ccc([C@H]2C[C@@H]([NH2+]C3COCCOC3)CC[N@@H+]2C2CC2)cc1 ZINC000639201805 405968059 /nfs/dbraw/zinc/96/80/59/405968059.db2.gz MVJFAYVFKQCPML-QFBILLFUSA-N 2 2 316.445 2.360 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@H]1CCC[N@H+](C)C1)C2 ZINC000570377719 406384989 /nfs/dbraw/zinc/38/49/89/406384989.db2.gz RKIPFLLZOLNBPL-ZIAGYGMSSA-N 2 2 318.465 2.096 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@H]1CCC[N@@H+](C)C1)C2 ZINC000570377719 406384992 /nfs/dbraw/zinc/38/49/92/406384992.db2.gz RKIPFLLZOLNBPL-ZIAGYGMSSA-N 2 2 318.465 2.096 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@H]1CCC[N@H+](C)C1)CC2 ZINC000570377719 406384994 /nfs/dbraw/zinc/38/49/94/406384994.db2.gz RKIPFLLZOLNBPL-ZIAGYGMSSA-N 2 2 318.465 2.096 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@H]1CCC[N@@H+](C)C1)CC2 ZINC000570377719 406384997 /nfs/dbraw/zinc/38/49/97/406384997.db2.gz RKIPFLLZOLNBPL-ZIAGYGMSSA-N 2 2 318.465 2.096 10 0 DEAELP Brc1ccc2c(c1)C[C@@H]1[C@H]2[C@H]1[NH2+][C@H]1CCC[NH2+]C1 ZINC000635001200 406394200 /nfs/dbraw/zinc/39/42/00/406394200.db2.gz KDWKGRDXQTZAHZ-ATGSNQNLSA-N 2 2 307.235 2.429 10 0 DEAELP c1ncn(-c2ccc(C[NH2+]C[C@@H]3CC[N@@H+]3C3CCCC3)cc2)n1 ZINC000527809059 406759390 /nfs/dbraw/zinc/75/93/90/406759390.db2.gz SEHLZXKZMOCYEG-SFHVURJKSA-N 2 2 311.433 2.374 10 0 DEAELP c1ncn(-c2ccc(C[NH2+]C[C@@H]3CC[N@H+]3C3CCCC3)cc2)n1 ZINC000527809059 406759394 /nfs/dbraw/zinc/75/93/94/406759394.db2.gz SEHLZXKZMOCYEG-SFHVURJKSA-N 2 2 311.433 2.374 10 0 DEAELP c1ccc(N2CC[NH+](CCC[NH2+]CCC[C@H]3CCO3)CC2)cc1 ZINC000638337860 406709094 /nfs/dbraw/zinc/70/90/94/406709094.db2.gz ZURWLVAISNTZIB-IBGZPJMESA-N 2 2 317.477 2.357 10 0 DEAELP [NH3+]C1CC[NH+]([C@@H]2CCN(c3ncc(Cl)cc3Cl)C2)CC1 ZINC000130869346 196117517 /nfs/dbraw/zinc/11/75/17/196117517.db2.gz KPYOAMAVWMZQQK-GFCCVEGCSA-N 2 2 315.248 2.390 10 0 DEAELP COC[C@H](C)[C@H](C[NH3+])[N@H+](C)Cc1cccc(Br)c1 ZINC000131958352 196213545 /nfs/dbraw/zinc/21/35/45/196213545.db2.gz FHNWKSMDWXJNEI-FZMZJTMJSA-N 2 2 315.255 2.491 10 0 DEAELP COC[C@H](C)[C@H](C[NH3+])[N@@H+](C)Cc1cccc(Br)c1 ZINC000131958352 196213547 /nfs/dbraw/zinc/21/35/47/196213547.db2.gz FHNWKSMDWXJNEI-FZMZJTMJSA-N 2 2 315.255 2.491 10 0 DEAELP CNc1nc(NC[C@H]2CCCC[N@@H+]2C)c(Br)c[nH+]1 ZINC000131966155 196214865 /nfs/dbraw/zinc/21/48/65/196214865.db2.gz UMLBDXVAIFVCBT-SECBINFHSA-N 2 2 314.231 2.177 10 0 DEAELP CNc1nc(NC[C@H]2CCCC[N@H+]2C)c(Br)c[nH+]1 ZINC000131966155 196214867 /nfs/dbraw/zinc/21/48/67/196214867.db2.gz UMLBDXVAIFVCBT-SECBINFHSA-N 2 2 314.231 2.177 10 0 DEAELP Cc1noc(CCC[N@@H+]2CC[C@H](n3c[nH+]c4c3CCCC4)C2)n1 ZINC000299753881 229398079 /nfs/dbraw/zinc/39/80/79/229398079.db2.gz ZQPKDDKSWGWRML-AWEZNQCLSA-N 2 2 315.421 2.333 10 0 DEAELP Cc1noc(CCC[N@H+]2CC[C@H](n3c[nH+]c4c3CCCC4)C2)n1 ZINC000299753881 229398080 /nfs/dbraw/zinc/39/80/80/229398080.db2.gz ZQPKDDKSWGWRML-AWEZNQCLSA-N 2 2 315.421 2.333 10 0 DEAELP C[NH+]1CCC(CNC(=O)CC(C)(C)C)([NH+]2CCCCC2)CC1 ZINC000172751817 289877282 /nfs/dbraw/zinc/87/72/82/289877282.db2.gz ZRROUFSIXCYOGL-UHFFFAOYSA-N 2 2 309.498 2.489 10 0 DEAELP CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]CC[NH+]2CCCC2)C1 ZINC000172472324 325731051 /nfs/dbraw/zinc/73/10/51/325731051.db2.gz JFYROBSVSKRKBN-OAHLLOKOSA-N 2 2 311.470 2.319 10 0 DEAELP CC(C)(C)c1csc(C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)n1 ZINC000584446666 337339770 /nfs/dbraw/zinc/33/97/70/337339770.db2.gz NODHVLIHNUFGFX-UHFFFAOYSA-N 2 2 305.451 2.486 10 0 DEAELP C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)[C@H]1c1ccccc1 ZINC000247914435 523985477 /nfs/dbraw/zinc/98/54/77/523985477.db2.gz AUVAELWREBMFRB-SOLBZPMBSA-N 2 2 324.428 2.007 10 0 DEAELP C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)[C@H]1c1ccccc1 ZINC000247914435 523985481 /nfs/dbraw/zinc/98/54/81/523985481.db2.gz AUVAELWREBMFRB-SOLBZPMBSA-N 2 2 324.428 2.007 10 0 DEAELP CCCc1ccc([C@H](C)[N@@H+](CC(N)=O)C[C@@H]2CCC[NH2+]C2)cc1 ZINC000261797781 535425386 /nfs/dbraw/zinc/42/53/86/535425386.db2.gz GSGJGFRWHNQAGD-DOTOQJQBSA-N 2 2 317.477 2.487 10 0 DEAELP CCCc1ccc([C@H](C)[N@H+](CC(N)=O)C[C@@H]2CCC[NH2+]C2)cc1 ZINC000261797781 535425389 /nfs/dbraw/zinc/42/53/89/535425389.db2.gz GSGJGFRWHNQAGD-DOTOQJQBSA-N 2 2 317.477 2.487 10 0 DEAELP CCc1cccc(CC)c1NC(=O)C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261606895 535880495 /nfs/dbraw/zinc/88/04/95/535880495.db2.gz BFWZEYOULXGRDG-GOSISDBHSA-N 2 2 303.450 2.421 10 0 DEAELP CCc1cccc(CC)c1NC(=O)C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261606895 535880501 /nfs/dbraw/zinc/88/05/01/535880501.db2.gz BFWZEYOULXGRDG-GOSISDBHSA-N 2 2 303.450 2.421 10 0 DEAELP COc1ccc(C)cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261925047 536812224 /nfs/dbraw/zinc/81/22/24/536812224.db2.gz ZDWYQLVYRFYWNC-CZUORRHYSA-N 2 2 319.449 2.390 10 0 DEAELP COc1ccc(C)cc1NC(=O)[C@@H](C)[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261925047 536812231 /nfs/dbraw/zinc/81/22/31/536812231.db2.gz ZDWYQLVYRFYWNC-CZUORRHYSA-N 2 2 319.449 2.390 10 0 DEAELP C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000235497635 625860841 /nfs/dbraw/zinc/86/08/41/625860841.db2.gz YTADQWIIGWJASW-ZIAGYGMSSA-N 2 2 308.426 2.261 10 0 DEAELP CC/C(C)=C\CC[NH+]1CCC(c2[nH+]ccn2CC(N)=O)CC1 ZINC000229816834 646702543 /nfs/dbraw/zinc/70/25/43/646702543.db2.gz SRZMUDVANDYDQA-RZNTYIFUSA-N 2 2 304.438 2.294 10 0 DEAELP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000382771006 685405367 /nfs/dbraw/zinc/40/53/67/685405367.db2.gz LISGYUNEHTWNJW-QRQLOZEOSA-N 3 2 301.478 2.296 10 0 DEAELP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000382771006 685405371 /nfs/dbraw/zinc/40/53/71/685405371.db2.gz LISGYUNEHTWNJW-QRQLOZEOSA-N 3 2 301.478 2.296 10 0 DEAELP C[C@@H]1C[NH2+]C[C@H]1C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000382771006 685405373 /nfs/dbraw/zinc/40/53/73/685405373.db2.gz LISGYUNEHTWNJW-QRQLOZEOSA-N 3 2 301.478 2.296 10 0 DEAELP C[C@@H]1C[NH2+]C[C@H]1C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000382771006 685405377 /nfs/dbraw/zinc/40/53/77/685405377.db2.gz LISGYUNEHTWNJW-QRQLOZEOSA-N 3 2 301.478 2.296 10 0 DEAELP C[NH+]1C2CCCC1CC(NC(=O)Nc1ccc(C[NH3+])cc1)C2 ZINC000262300761 1078798567 /nfs/dbraw/zinc/79/85/67/1078798567.db2.gz ONBBJDNRYNAPKZ-HOTGVXAUSA-N 2 2 302.422 2.282 10 0 DEAELP CC(C)C[C@H](C[NH2+]CC1CN(C(=O)OC(C)(C)C)C1)[NH+](C)C ZINC000710871867 1086689740 /nfs/dbraw/zinc/68/97/40/1086689740.db2.gz BZYNJOWAEKBCES-OAHLLOKOSA-N 2 2 313.486 2.419 10 0 DEAELP C[C@@H](Cn1cc[nH+]c1)[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000711409805 1087097296 /nfs/dbraw/zinc/09/72/96/1087097296.db2.gz DHUGUEXLIOMMQX-MELADBBJSA-N 2 2 308.426 2.165 10 0 DEAELP CC(C)([NH3+])C(C)(C)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000087627899 185229466 /nfs/dbraw/zinc/22/94/66/185229466.db2.gz XVIQTYAQMQDGLQ-UHFFFAOYSA-N 2 2 309.479 2.156 10 0 DEAELP CC(C)C[NH2+][C@H](C[NH3+])c1cc2c(c(Br)c1)OCO2 ZINC000087911529 185237452 /nfs/dbraw/zinc/23/74/52/185237452.db2.gz GAJQBDORWQSPKP-LLVKDONJSA-N 2 2 315.211 2.423 10 0 DEAELP [NH3+]C[C@H]([NH2+]C[C@H]1CCCO1)c1ccc(F)c(Br)c1 ZINC000087928233 185237777 /nfs/dbraw/zinc/23/77/77/185237777.db2.gz IMCXOBCUIMZHEA-MFKMUULPSA-N 2 2 317.202 2.357 10 0 DEAELP C[C@@H]1[C@@H]2C[NH2+]C[C@@H]2C[N@@H+]1Cc1csc(-c2ccccn2)n1 ZINC000090327663 185291365 /nfs/dbraw/zinc/29/13/65/185291365.db2.gz GEEGDZAUVWVWDC-BZPMIXESSA-N 2 2 300.431 2.245 10 0 DEAELP C[C@@H]1[C@@H]2C[NH2+]C[C@@H]2C[N@H+]1Cc1csc(-c2ccccn2)n1 ZINC000090327663 185291366 /nfs/dbraw/zinc/29/13/66/185291366.db2.gz GEEGDZAUVWVWDC-BZPMIXESSA-N 2 2 300.431 2.245 10 0 DEAELP CC1(C)[C@@H]2C[NH2+]C[C@H]2C[N@@H+]1Cc1cc2c(c(Cl)c1)OCO2 ZINC000090337890 185291912 /nfs/dbraw/zinc/29/19/12/185291912.db2.gz GFTLBTNHJPJPPH-NWDGAFQWSA-N 2 2 308.809 2.499 10 0 DEAELP CC1(C)[C@@H]2C[NH2+]C[C@H]2C[N@H+]1Cc1cc2c(c(Cl)c1)OCO2 ZINC000090337890 185291913 /nfs/dbraw/zinc/29/19/13/185291913.db2.gz GFTLBTNHJPJPPH-NWDGAFQWSA-N 2 2 308.809 2.499 10 0 DEAELP C[NH2+][C@H]1COC[C@@H]1C[N@H+](C)Cc1csc(Br)c1 ZINC000090438870 185296717 /nfs/dbraw/zinc/29/67/17/185296717.db2.gz SKUHFFIWKCZFGR-QWRGUYRKSA-N 2 2 319.268 2.177 10 0 DEAELP C[NH2+][C@H]1COC[C@@H]1C[N@@H+](C)Cc1csc(Br)c1 ZINC000090438870 185296718 /nfs/dbraw/zinc/29/67/18/185296718.db2.gz SKUHFFIWKCZFGR-QWRGUYRKSA-N 2 2 319.268 2.177 10 0 DEAELP C[C@]1(c2c[nH+]cn2-c2ccc(Br)cn2)CC[NH2+]C1 ZINC000097014096 185397276 /nfs/dbraw/zinc/39/72/76/185397276.db2.gz HJUIZFDGKWZEBI-ZDUSSCGKSA-N 2 2 307.195 2.281 10 0 DEAELP COc1ccc(Br)cc1-n1c[nH+]cc1C1C[NH2+]C1 ZINC000097023377 185398913 /nfs/dbraw/zinc/39/89/13/185398913.db2.gz OUCSHBLOWIGZDO-UHFFFAOYSA-N 2 2 308.179 2.330 10 0 DEAELP Cc1cc(-c2cc(NCC[NH+](C)C)nc3[nH]ccc32)c[nH+]c1N ZINC000072125241 191041850 /nfs/dbraw/zinc/04/18/50/191041850.db2.gz QAXMNPMZKUNEJH-UHFFFAOYSA-N 2 2 310.405 2.489 10 0 DEAELP C[NH2+][C@@H](c1ccc(Br)cn1)c1c(C)cc[nH+]c1N ZINC000140206625 186025903 /nfs/dbraw/zinc/02/59/03/186025903.db2.gz ITGWDRZGRGXSTH-LBPRGKRZSA-N 2 2 307.195 2.439 10 0 DEAELP C[C@@H]1OCC[C@@]1(C[NH3+])[N@H+](C)Cc1ccc(Br)cc1 ZINC000147945460 186042437 /nfs/dbraw/zinc/04/24/37/186042437.db2.gz QGFDTSMVRCFSIN-FZMZJTMJSA-N 2 2 313.239 2.387 10 0 DEAELP C[C@@H]1OCC[C@@]1(C[NH3+])[N@@H+](C)Cc1ccc(Br)cc1 ZINC000147945460 186042438 /nfs/dbraw/zinc/04/24/38/186042438.db2.gz QGFDTSMVRCFSIN-FZMZJTMJSA-N 2 2 313.239 2.387 10 0 DEAELP C[C@H]1OCC[C@@]1(C[NH3+])[N@H+](C)Cc1ccc(Br)cc1 ZINC000147945238 186042587 /nfs/dbraw/zinc/04/25/87/186042587.db2.gz QGFDTSMVRCFSIN-RISCZKNCSA-N 2 2 313.239 2.387 10 0 DEAELP C[C@H]1OCC[C@@]1(C[NH3+])[N@@H+](C)Cc1ccc(Br)cc1 ZINC000147945238 186042588 /nfs/dbraw/zinc/04/25/88/186042588.db2.gz QGFDTSMVRCFSIN-RISCZKNCSA-N 2 2 313.239 2.387 10 0 DEAELP C[C@@H]1CCC[C@]([NH3+])(C[NH2+]Cc2ccc(S(C)(=O)=O)cc2)C1 ZINC000080934493 192202701 /nfs/dbraw/zinc/20/27/01/192202701.db2.gz SDFWYGIEIAICAO-CZUORRHYSA-N 2 2 310.463 2.087 10 0 DEAELP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@@H]1C[C@@]3(CC[NH2+]C3)Oc3ccccc31)C2 ZINC000579825274 357036152 /nfs/dbraw/zinc/03/61/52/357036152.db2.gz UGWJFGXFWRMWFW-OMWUSAIZSA-N 3 2 324.428 2.113 10 0 DEAELP c1[nH]c2c([nH+]1)C[C@H]([NH2+][C@@H]1C[C@@]3(CC[NH2+]C3)Oc3ccccc31)CC2 ZINC000579825274 357036154 /nfs/dbraw/zinc/03/61/54/357036154.db2.gz UGWJFGXFWRMWFW-OMWUSAIZSA-N 3 2 324.428 2.113 10 0 DEAELP CC(C)[NH2+]C1CCN(C(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000606583804 361023400 /nfs/dbraw/zinc/02/34/00/361023400.db2.gz OGOJAOYOKGNAFN-UHFFFAOYSA-N 2 2 301.394 2.329 10 0 DEAELP COc1ccccc1C[NH+]1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000092079717 193154701 /nfs/dbraw/zinc/15/47/01/193154701.db2.gz HMDDVLIMCWXVIZ-HNNXBMFYSA-N 2 2 304.434 2.380 10 0 DEAELP COc1ccccc1C[NH+]1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000092079717 193154703 /nfs/dbraw/zinc/15/47/03/193154703.db2.gz HMDDVLIMCWXVIZ-HNNXBMFYSA-N 2 2 304.434 2.380 10 0 DEAELP c1cc2c(nc(C3CC3)[nH+]c2NCCCC[NH+]2CCOCC2)[nH]1 ZINC000631061750 367995680 /nfs/dbraw/zinc/99/56/80/367995680.db2.gz GADZCKIUIVLXCP-UHFFFAOYSA-N 2 2 315.421 2.311 10 0 DEAELP Cn1c[nH+]cc1[C@@H]1CNC(=[NH2+])N1c1cccc(Br)c1 ZINC000093387582 193241780 /nfs/dbraw/zinc/24/17/80/193241780.db2.gz AEEHAJSSHJKOHD-LBPRGKRZSA-N 2 2 320.194 2.268 10 0 DEAELP CCC[NH2+][C@@H]1CCC[C@H]([NH+]2CCN(CC(F)(F)F)CC2)C1 ZINC000093730400 193297808 /nfs/dbraw/zinc/29/78/08/193297808.db2.gz FXILALRBOZSLIE-KGLIPLIRSA-N 2 2 307.404 2.477 10 0 DEAELP CC[NH2+][C@@H](Cc1ccc(F)cc1Cl)[C@H]1C[N@H+](C)CCN1C ZINC000093895017 193325468 /nfs/dbraw/zinc/32/54/68/193325468.db2.gz KEQVPKLEMWCCAE-JKSUJKDBSA-N 2 2 313.848 2.246 10 0 DEAELP CC[NH2+][C@@H](Cc1ccc(F)cc1Cl)[C@H]1C[N@@H+](C)CCN1C ZINC000093895017 193325469 /nfs/dbraw/zinc/32/54/69/193325469.db2.gz KEQVPKLEMWCCAE-JKSUJKDBSA-N 2 2 313.848 2.246 10 0 DEAELP C[NH2+][C@H]1[C@@H](C[NH+]2CCN(CC(F)(F)F)CC2)CCC1(C)C ZINC000094318371 193359434 /nfs/dbraw/zinc/35/94/34/193359434.db2.gz HNLFPIVIBNSSGG-OLZOCXBDSA-N 2 2 307.404 2.191 10 0 DEAELP C[NH2+][C@H](Cc1c(Cl)cccc1Cl)[C@H]1C[NH+]2CCN1CC2 ZINC000094509040 193376211 /nfs/dbraw/zinc/37/62/11/193376211.db2.gz XFTYKRDXUVTDOK-HUUCEWRRSA-N 2 2 314.260 2.124 10 0 DEAELP CCCCn1c2ccccc2[nH+]c1NCCN1CC[NH2+]CC1 ZINC000022878512 182339163 /nfs/dbraw/zinc/33/91/63/182339163.db2.gz AJRWVVOJJPRKAD-UHFFFAOYSA-N 2 2 301.438 2.154 10 0 DEAELP CC[NH+](CC)[C@H](C(=O)N1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000104870604 194048890 /nfs/dbraw/zinc/04/88/90/194048890.db2.gz VUWATOGMTBYQTJ-SFHVURJKSA-N 2 2 315.461 2.376 10 0 DEAELP Cc1nc(NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)cc[nH+]1 ZINC000284994886 218249282 /nfs/dbraw/zinc/24/92/82/218249282.db2.gz SYYBUWZCBWVBMK-XJKSGUPXSA-N 2 2 300.410 2.014 10 0 DEAELP Cc1nc(NC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)cc[nH+]1 ZINC000284994886 218249284 /nfs/dbraw/zinc/24/92/84/218249284.db2.gz SYYBUWZCBWVBMK-XJKSGUPXSA-N 2 2 300.410 2.014 10 0 DEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)Nc2nccs2)C1 ZINC000105897211 194161883 /nfs/dbraw/zinc/16/18/83/194161883.db2.gz PFUSTKVTTGSCGB-LBPRGKRZSA-N 2 2 319.434 2.178 10 0 DEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)Nc2nccs2)C1 ZINC000105897211 194161885 /nfs/dbraw/zinc/16/18/85/194161885.db2.gz PFUSTKVTTGSCGB-LBPRGKRZSA-N 2 2 319.434 2.178 10 0 DEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2)C1 ZINC000105897080 194162328 /nfs/dbraw/zinc/16/23/28/194162328.db2.gz AKCFMJQDFGFBOE-MRXNPFEDSA-N 2 2 312.417 2.382 10 0 DEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ccc(C(N)=O)cc2)C1 ZINC000105897080 194162329 /nfs/dbraw/zinc/16/23/29/194162329.db2.gz AKCFMJQDFGFBOE-MRXNPFEDSA-N 2 2 312.417 2.382 10 0 DEAELP Cc1[nH+]c2ccccc2n1CC(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000061604334 184176847 /nfs/dbraw/zinc/17/68/47/184176847.db2.gz CGIOTTRBZFXKPA-UHFFFAOYSA-N 2 2 312.417 2.041 10 0 DEAELP Cc1[nH+]c2ccccc2n1CC(=O)N1CCC[N@H+](C2CC2)CC1 ZINC000061604334 184176849 /nfs/dbraw/zinc/17/68/49/184176849.db2.gz CGIOTTRBZFXKPA-UHFFFAOYSA-N 2 2 312.417 2.041 10 0 DEAELP [NH3+]CC[C@@H](c1ccccc1)[NH+]1CCN(CC(F)(F)F)CC1 ZINC000061940945 184197482 /nfs/dbraw/zinc/19/74/82/184197482.db2.gz QPSKVIGYQXRYER-AWEZNQCLSA-N 2 2 301.356 2.256 10 0 DEAELP CCC[NH2+][C@H]1CCC[C@H]1C[NH+]1CCN(CC(F)(F)F)CC1 ZINC000061947638 184198125 /nfs/dbraw/zinc/19/81/25/184198125.db2.gz URAGABNBBWAPOK-KBPBESRZSA-N 2 2 307.404 2.335 10 0 DEAELP C[NH+](C)[C@H](C(=O)NCCc1[nH+]cc2ccccn21)c1ccccc1 ZINC000062509291 184240513 /nfs/dbraw/zinc/24/05/13/184240513.db2.gz NKHMBSBEVJWRIZ-SFHVURJKSA-N 2 2 322.412 2.296 10 0 DEAELP CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc2c(s1)C[NH+](C1CC1)C2 ZINC000065238843 184317224 /nfs/dbraw/zinc/31/72/24/184317224.db2.gz IMBABAIXUPGHJC-CQSZACIVSA-N 2 2 319.474 2.440 10 0 DEAELP CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc2c(s1)C[NH+](C1CC1)C2 ZINC000065238843 184317225 /nfs/dbraw/zinc/31/72/25/184317225.db2.gz IMBABAIXUPGHJC-CQSZACIVSA-N 2 2 319.474 2.440 10 0 DEAELP CC[NH+]1CCC[C@@H]1CNC(=O)c1cc2c(s1)C[N@@H+](C1CC1)C2 ZINC000065238843 184317226 /nfs/dbraw/zinc/31/72/26/184317226.db2.gz IMBABAIXUPGHJC-CQSZACIVSA-N 2 2 319.474 2.440 10 0 DEAELP CC[NH+]1CCC[C@@H]1CNC(=O)c1cc2c(s1)C[N@H+](C1CC1)C2 ZINC000065238843 184317227 /nfs/dbraw/zinc/31/72/27/184317227.db2.gz IMBABAIXUPGHJC-CQSZACIVSA-N 2 2 319.474 2.440 10 0 DEAELP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cnn(-c4ccccc4)n3)CC[C@@H]21 ZINC000158641597 197290397 /nfs/dbraw/zinc/29/03/97/197290397.db2.gz SGFNAQZOKAWWDR-YJBOKZPZSA-N 2 2 311.433 2.183 10 0 DEAELP C[N@H+]1CCC[C@H]2C[NH+](Cc3cnn(-c4ccccc4)n3)CC[C@@H]21 ZINC000158641597 197290400 /nfs/dbraw/zinc/29/04/00/197290400.db2.gz SGFNAQZOKAWWDR-YJBOKZPZSA-N 2 2 311.433 2.183 10 0 DEAELP C[NH+]1CCC[C@H]2C[N@H+](Cc3cnn(-c4ccccc4)n3)CC[C@@H]21 ZINC000158641597 197290402 /nfs/dbraw/zinc/29/04/02/197290402.db2.gz SGFNAQZOKAWWDR-YJBOKZPZSA-N 2 2 311.433 2.183 10 0 DEAELP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cnn(-c4ccccc4)n3)CC[C@@H]21 ZINC000158641597 197290404 /nfs/dbraw/zinc/29/04/04/197290404.db2.gz SGFNAQZOKAWWDR-YJBOKZPZSA-N 2 2 311.433 2.183 10 0 DEAELP COCC[NH2+][C@@]1(c2nc(C)c(C)s2)CC[N@@H+]2CCC[C@@H]2C1 ZINC000156691201 197134084 /nfs/dbraw/zinc/13/40/84/197134084.db2.gz AMRMVMICDVXRDM-ZBFHGGJFSA-N 2 2 309.479 2.449 10 0 DEAELP COCC[NH2+][C@@]1(c2nc(C)c(C)s2)CC[N@H+]2CCC[C@@H]2C1 ZINC000156691201 197134086 /nfs/dbraw/zinc/13/40/86/197134086.db2.gz AMRMVMICDVXRDM-ZBFHGGJFSA-N 2 2 309.479 2.449 10 0 DEAELP CC[N@@H+]1CCO[C@H]2C[NH+](Cc3ccc4ccccc4n3)C[C@H]2C1 ZINC000249703362 257107075 /nfs/dbraw/zinc/10/70/75/257107075.db2.gz ZMNRIPSMZSNEHK-APWZRJJASA-N 2 2 311.429 2.387 10 0 DEAELP CC[N@H+]1CCO[C@H]2C[NH+](Cc3ccc4ccccc4n3)C[C@H]2C1 ZINC000249703362 257107076 /nfs/dbraw/zinc/10/70/76/257107076.db2.gz ZMNRIPSMZSNEHK-APWZRJJASA-N 2 2 311.429 2.387 10 0 DEAELP CC[NH+]1CCO[C@H]2C[N@H+](Cc3ccc4ccccc4n3)C[C@H]2C1 ZINC000249703362 257107077 /nfs/dbraw/zinc/10/70/77/257107077.db2.gz ZMNRIPSMZSNEHK-APWZRJJASA-N 2 2 311.429 2.387 10 0 DEAELP CC[NH+]1CCO[C@H]2C[N@@H+](Cc3ccc4ccccc4n3)C[C@H]2C1 ZINC000249703362 257107078 /nfs/dbraw/zinc/10/70/78/257107078.db2.gz ZMNRIPSMZSNEHK-APWZRJJASA-N 2 2 311.429 2.387 10 0 DEAELP CC(C)[N@H+]1Cc2c[nH+]cn2[C@@H](C(=O)NCc2cccs2)C1 ZINC000247964277 257113090 /nfs/dbraw/zinc/11/30/90/257113090.db2.gz AVQLDEMBABBWGL-CQSZACIVSA-N 2 2 304.419 2.026 10 0 DEAELP CC(C)[N@@H+]1Cc2c[nH+]cn2[C@@H](C(=O)NCc2cccs2)C1 ZINC000247964277 257113092 /nfs/dbraw/zinc/11/30/92/257113092.db2.gz AVQLDEMBABBWGL-CQSZACIVSA-N 2 2 304.419 2.026 10 0 DEAELP C([NH2+][C@@H]1C[C@@H]2OCCC[C@@H]12)C1(C[NH+]2CCOCC2)CCCCC1 ZINC000253233023 533372105 /nfs/dbraw/zinc/37/21/05/533372105.db2.gz LPAVMJWJDIKSOE-KSZLIROESA-N 2 2 322.493 2.426 10 0 DEAELP CC(=O)N1CC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C(C)(C)C1 ZINC000355363487 133021340 /nfs/dbraw/zinc/02/13/40/133021340.db2.gz HRQQBXIHCANJCP-UHFFFAOYSA-N 2 2 318.446 2.377 10 0 DEAELP CC(=O)N1CC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C(C)(C)C1 ZINC000355363487 133021341 /nfs/dbraw/zinc/02/13/41/133021341.db2.gz HRQQBXIHCANJCP-UHFFFAOYSA-N 2 2 318.446 2.377 10 0 DEAELP CC1=CC[N@H+](CC[NH2+]C2CCN(c3nccs3)CC2)CC1 ZINC000358214017 133129046 /nfs/dbraw/zinc/12/90/46/133129046.db2.gz AKWLGUPHIDCZGJ-UHFFFAOYSA-N 2 2 306.479 2.354 10 0 DEAELP CC1=CC[N@@H+](CC[NH2+]C2CCN(c3nccs3)CC2)CC1 ZINC000358214017 133129047 /nfs/dbraw/zinc/12/90/47/133129047.db2.gz AKWLGUPHIDCZGJ-UHFFFAOYSA-N 2 2 306.479 2.354 10 0 DEAELP Cc1cc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)on1 ZINC000368609413 133280968 /nfs/dbraw/zinc/28/09/68/133280968.db2.gz YDFAZZPXFVMONH-KDOFPFPSSA-N 2 2 314.433 2.421 10 0 DEAELP Cc1cc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)on1 ZINC000368609413 133280969 /nfs/dbraw/zinc/28/09/69/133280969.db2.gz YDFAZZPXFVMONH-KDOFPFPSSA-N 2 2 314.433 2.421 10 0 DEAELP Cc1ccc(NC(=O)C2CC[NH+](CC[NH2+]C(C)C)CC2)nc1 ZINC000193466555 145086696 /nfs/dbraw/zinc/08/66/96/145086696.db2.gz SCEPVVKNEPWYPV-UHFFFAOYSA-N 2 2 304.438 2.039 10 0 DEAELP Cc1ccc(N2CCC[C@H]([N@@H+]3CC[C@@H](C[NH+](C)C)C3)C2=O)cc1 ZINC000245463765 292133056 /nfs/dbraw/zinc/13/30/56/292133056.db2.gz XOSUGDARTVNOSM-WMZOPIPTSA-N 2 2 315.461 2.374 10 0 DEAELP Cc1ccc(N2CCC[C@H]([N@H+]3CC[C@@H](C[NH+](C)C)C3)C2=O)cc1 ZINC000245463765 292133059 /nfs/dbraw/zinc/13/30/59/292133059.db2.gz XOSUGDARTVNOSM-WMZOPIPTSA-N 2 2 315.461 2.374 10 0 DEAELP C[C@@H]1CC[N@H+](CC(=O)N(C)c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000247540326 145141094 /nfs/dbraw/zinc/14/10/94/145141094.db2.gz JYDYSGVSVPOAHT-NVXWUHKLSA-N 2 2 312.417 2.429 10 0 DEAELP C[C@@H]1CC[N@@H+](CC(=O)N(C)c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000247540326 145141096 /nfs/dbraw/zinc/14/10/96/145141096.db2.gz JYDYSGVSVPOAHT-NVXWUHKLSA-N 2 2 312.417 2.429 10 0 DEAELP CCCCOC[C@@H](O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000248662232 145163279 /nfs/dbraw/zinc/16/32/79/145163279.db2.gz YDGKGCBBKVBBHY-CVEARBPZSA-N 2 2 309.454 2.260 10 0 DEAELP CCCCOC[C@@H](O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000248662232 145163280 /nfs/dbraw/zinc/16/32/80/145163280.db2.gz YDGKGCBBKVBBHY-CVEARBPZSA-N 2 2 309.454 2.260 10 0 DEAELP C[C@H](C(=O)N1CCc2sccc2C1)[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261622849 145211081 /nfs/dbraw/zinc/21/10/81/145211081.db2.gz DPPDWMNUNYILBJ-IUODEOHRSA-N 2 2 321.490 2.081 10 0 DEAELP C[C@H](C(=O)N1CCc2sccc2C1)[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261622849 145211083 /nfs/dbraw/zinc/21/10/83/145211083.db2.gz DPPDWMNUNYILBJ-IUODEOHRSA-N 2 2 321.490 2.081 10 0 DEAELP CNC(=O)c1cccc(C[N@H+](CC[NH3+])CCc2ccccc2)c1 ZINC000261659142 145214139 /nfs/dbraw/zinc/21/41/39/145214139.db2.gz AVRKEOLVAGHPEO-UHFFFAOYSA-N 2 2 311.429 2.050 10 0 DEAELP CNC(=O)c1cccc(C[N@@H+](CC[NH3+])CCc2ccccc2)c1 ZINC000261659142 145214141 /nfs/dbraw/zinc/21/41/41/145214141.db2.gz AVRKEOLVAGHPEO-UHFFFAOYSA-N 2 2 311.429 2.050 10 0 DEAELP c1cn(-c2ccc(CN3CC[NH2+]C[C@H]3c3cccnc3)cc2)c[nH+]1 ZINC000261802064 145227996 /nfs/dbraw/zinc/22/79/96/145227996.db2.gz QYQSMTWTAMKBQF-IBGZPJMESA-N 2 2 319.412 2.414 10 0 DEAELP C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261800785 145228144 /nfs/dbraw/zinc/22/81/44/145228144.db2.gz UTJHCHMTFKIDQQ-QTXGHNMQSA-N 2 2 315.461 2.421 10 0 DEAELP C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261800785 145228145 /nfs/dbraw/zinc/22/81/45/145228145.db2.gz UTJHCHMTFKIDQQ-QTXGHNMQSA-N 2 2 315.461 2.421 10 0 DEAELP C[N@H+](CC(=O)NCc1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261816995 145230060 /nfs/dbraw/zinc/23/00/60/145230060.db2.gz AKLMSZRUZQVXSV-XYPWUTKMSA-N 2 2 321.852 2.171 10 0 DEAELP C[N@@H+](CC(=O)NCc1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261816995 145230063 /nfs/dbraw/zinc/23/00/63/145230063.db2.gz AKLMSZRUZQVXSV-XYPWUTKMSA-N 2 2 321.852 2.171 10 0 DEAELP C[C@H](C(=O)N[C@@H](C)c1ccccc1)[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261872810 145236558 /nfs/dbraw/zinc/23/65/58/145236558.db2.gz TWLNUFRZNWJSLG-SQWLQELKSA-N 2 2 303.450 2.312 10 0 DEAELP C[C@H](C(=O)N[C@@H](C)c1ccccc1)[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261872810 145236559 /nfs/dbraw/zinc/23/65/59/145236559.db2.gz TWLNUFRZNWJSLG-SQWLQELKSA-N 2 2 303.450 2.312 10 0 DEAELP C[C@@]1(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)CC[NH2+]C1 ZINC000262023755 145253993 /nfs/dbraw/zinc/25/39/93/145253993.db2.gz NKNZFXWQSHDUQF-QGZVFWFLSA-N 2 2 307.869 2.457 10 0 DEAELP C[C@@]1(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC[NH2+]C1 ZINC000262023755 145253996 /nfs/dbraw/zinc/25/39/96/145253996.db2.gz NKNZFXWQSHDUQF-QGZVFWFLSA-N 2 2 307.869 2.457 10 0 DEAELP C[C@]1(CCc2ccccc2)CC[N@H+](Cc2noc(C[NH3+])n2)C1 ZINC000262231042 145271134 /nfs/dbraw/zinc/27/11/34/145271134.db2.gz NXGCTBXRYZZSCV-KRWDZBQOSA-N 2 2 300.406 2.373 10 0 DEAELP C[C@]1(CCc2ccccc2)CC[N@@H+](Cc2noc(C[NH3+])n2)C1 ZINC000262231042 145271135 /nfs/dbraw/zinc/27/11/35/145271135.db2.gz NXGCTBXRYZZSCV-KRWDZBQOSA-N 2 2 300.406 2.373 10 0 DEAELP C[NH+]1CCC(CNC(=O)C=C2CCC2)([NH+]2CCCCC2)CC1 ZINC000087335382 401931055 /nfs/dbraw/zinc/93/10/55/401931055.db2.gz ZGIURQUIIOTDIA-UHFFFAOYSA-N 2 2 305.466 2.163 10 0 DEAELP CN1C(=O)C[C@@H]([NH2+]C2CC[NH+](C)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000090968671 401989807 /nfs/dbraw/zinc/98/98/07/401989807.db2.gz KGRNWMGBGKSKPD-WBVHZDCISA-N 2 2 321.852 2.296 10 0 DEAELP C[C@H](C(=O)N1CCCCC1)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000151105459 402016504 /nfs/dbraw/zinc/01/65/04/402016504.db2.gz YHUOMRNCSORCFK-HZPDHXFCSA-N 2 2 316.449 2.216 10 0 DEAELP C[C@H](C(=O)N1CCCCC1)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000151105459 402016507 /nfs/dbraw/zinc/01/65/07/402016507.db2.gz YHUOMRNCSORCFK-HZPDHXFCSA-N 2 2 316.449 2.216 10 0 DEAELP C[C@@H]1C[C@@H]([NH+](C)CC(=O)NCc2cccc(Cl)c2)CC[N@@H+]1C ZINC000123969877 402156898 /nfs/dbraw/zinc/15/68/98/402156898.db2.gz XICZGEKMXVHDAB-CJNGLKHVSA-N 2 2 323.868 2.371 10 0 DEAELP C[C@@H]1C[C@@H]([NH+](C)CC(=O)NCc2cccc(Cl)c2)CC[N@H+]1C ZINC000123969877 402156904 /nfs/dbraw/zinc/15/69/04/402156904.db2.gz XICZGEKMXVHDAB-CJNGLKHVSA-N 2 2 323.868 2.371 10 0 DEAELP C[C@@H]1C[C@@H]([N@H+](C)CC(=O)NCc2cccc(Cl)c2)CC[NH+]1C ZINC000123969877 402156906 /nfs/dbraw/zinc/15/69/06/402156906.db2.gz XICZGEKMXVHDAB-CJNGLKHVSA-N 2 2 323.868 2.371 10 0 DEAELP C[C@@H]1C[C@@H]([N@@H+](C)CC(=O)NCc2cccc(Cl)c2)CC[NH+]1C ZINC000123969877 402156910 /nfs/dbraw/zinc/15/69/10/402156910.db2.gz XICZGEKMXVHDAB-CJNGLKHVSA-N 2 2 323.868 2.371 10 0 DEAELP COc1ccc(C[NH+]2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)cc1 ZINC000124123432 402164990 /nfs/dbraw/zinc/16/49/90/402164990.db2.gz LZZIYKIOYNAVIA-HNNXBMFYSA-N 2 2 304.434 2.380 10 0 DEAELP C[C@@H]([NH2+]C[C@@]1(CCO)CCOC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000125699412 402245892 /nfs/dbraw/zinc/24/58/92/402245892.db2.gz MKTBMIUBWFTXKM-CRAIPNDOSA-N 2 2 315.417 2.312 10 0 DEAELP CCC[C@@H](C)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000154360143 402208778 /nfs/dbraw/zinc/20/87/78/402208778.db2.gz OEGPCNRVZUKJOH-VPSFDDGASA-N 2 2 307.482 2.192 10 0 DEAELP CCC[C@@H](C)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000154360143 402208781 /nfs/dbraw/zinc/20/87/81/402208781.db2.gz OEGPCNRVZUKJOH-VPSFDDGASA-N 2 2 307.482 2.192 10 0 DEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)NC(C)(C)CC)C1 ZINC000105896800 402210352 /nfs/dbraw/zinc/21/03/52/402210352.db2.gz WUSIGOHINSAAAC-CQSZACIVSA-N 2 2 306.454 2.387 10 0 DEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)NC(C)(C)CC)C1 ZINC000105896800 402210355 /nfs/dbraw/zinc/21/03/55/402210355.db2.gz WUSIGOHINSAAAC-CQSZACIVSA-N 2 2 306.454 2.387 10 0 DEAELP O=C(CCC1CC[NH2+]CC1)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000155880284 402269852 /nfs/dbraw/zinc/26/98/52/402269852.db2.gz LFMMJGKVCSRRGG-UHFFFAOYSA-N 2 2 320.824 2.384 10 0 DEAELP CC[C@@H](C)N(C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000176106552 402279414 /nfs/dbraw/zinc/27/94/14/402279414.db2.gz QCFSVULYBIAEDO-MRXNPFEDSA-N 2 2 324.513 2.377 10 0 DEAELP CC[C@@H]1C[N@H+](CCCCn2cc[nH+]c2C)CCN1CCOC ZINC000161679331 402395757 /nfs/dbraw/zinc/39/57/57/402395757.db2.gz AXIVCCDRQWSKJT-QGZVFWFLSA-N 2 2 308.470 2.014 10 0 DEAELP CC[C@@H]1C[N@@H+](CCCCn2cc[nH+]c2C)CCN1CCOC ZINC000161679331 402395758 /nfs/dbraw/zinc/39/57/58/402395758.db2.gz AXIVCCDRQWSKJT-QGZVFWFLSA-N 2 2 308.470 2.014 10 0 DEAELP CC[C@@H]1CN(CCCCn2cc[nH+]c2C)CC[N@@H+]1CCOC ZINC000161679331 402395759 /nfs/dbraw/zinc/39/57/59/402395759.db2.gz AXIVCCDRQWSKJT-QGZVFWFLSA-N 2 2 308.470 2.014 10 0 DEAELP CC[C@@H]1CN(CCCCn2cc[nH+]c2C)CC[N@H+]1CCOC ZINC000161679331 402395760 /nfs/dbraw/zinc/39/57/60/402395760.db2.gz AXIVCCDRQWSKJT-QGZVFWFLSA-N 2 2 308.470 2.014 10 0 DEAELP CCO[C@@H]1C[C@@H]([NH2+]CC[N@@H+]2CCC[C@H](C)C2)C12CCOCC2 ZINC000186247208 402414972 /nfs/dbraw/zinc/41/49/72/402414972.db2.gz WYGIOLCFJLXVCJ-GVDBMIGSSA-N 2 2 310.482 2.282 10 0 DEAELP CCO[C@@H]1C[C@@H]([NH2+]CC[N@H+]2CCC[C@H](C)C2)C12CCOCC2 ZINC000186247208 402414974 /nfs/dbraw/zinc/41/49/74/402414974.db2.gz WYGIOLCFJLXVCJ-GVDBMIGSSA-N 2 2 310.482 2.282 10 0 DEAELP CC[C@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CCCn2cc[nH+]c21 ZINC000245426747 402459813 /nfs/dbraw/zinc/45/98/13/402459813.db2.gz VJZIBIRUODXUME-GJZGRUSLSA-N 2 2 304.438 2.141 10 0 DEAELP CC[C@H]1CCCC[N@H+]1CCNC(=O)[C@H]1CCCn2cc[nH+]c21 ZINC000245426747 402459817 /nfs/dbraw/zinc/45/98/17/402459817.db2.gz VJZIBIRUODXUME-GJZGRUSLSA-N 2 2 304.438 2.141 10 0 DEAELP CC(C)N(C)C(=O)[C@H](C)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000245480621 402464679 /nfs/dbraw/zinc/46/46/79/402464679.db2.gz XLVVJOXSZNCLJO-GJZGRUSLSA-N 2 2 304.438 2.071 10 0 DEAELP CC(C)N(C)C(=O)[C@H](C)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000245480621 402464680 /nfs/dbraw/zinc/46/46/80/402464680.db2.gz XLVVJOXSZNCLJO-GJZGRUSLSA-N 2 2 304.438 2.071 10 0 DEAELP CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CCn3cc[nH+]c3)C[C@@H]12 ZINC000248638088 402600668 /nfs/dbraw/zinc/60/06/68/402600668.db2.gz YNSFERASDMJBGD-RBSFLKMASA-N 2 2 320.437 2.118 10 0 DEAELP CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](CCn3cc[nH+]c3)C[C@@H]12 ZINC000248638088 402600671 /nfs/dbraw/zinc/60/06/71/402600671.db2.gz YNSFERASDMJBGD-RBSFLKMASA-N 2 2 320.437 2.118 10 0 DEAELP Cc1nn(C)cc1C[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000190489770 402605169 /nfs/dbraw/zinc/60/51/69/402605169.db2.gz JVNJNPOOUAKGIT-QGZVFWFLSA-N 2 2 313.449 2.077 10 0 DEAELP Cc1nn(C)cc1C[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000190489770 402605172 /nfs/dbraw/zinc/60/51/72/402605172.db2.gz JVNJNPOOUAKGIT-QGZVFWFLSA-N 2 2 313.449 2.077 10 0 DEAELP Cc1nn(C)cc1C[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190489770 402605174 /nfs/dbraw/zinc/60/51/74/402605174.db2.gz JVNJNPOOUAKGIT-QGZVFWFLSA-N 2 2 313.449 2.077 10 0 DEAELP Cc1nn(C)cc1C[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000190489770 402605177 /nfs/dbraw/zinc/60/51/77/402605177.db2.gz JVNJNPOOUAKGIT-QGZVFWFLSA-N 2 2 313.449 2.077 10 0 DEAELP CC(C)OC[C@@H](O)C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180666354 402622802 /nfs/dbraw/zinc/62/28/02/402622802.db2.gz MVZYDXDTZKJNLX-PBHICJAKSA-N 2 2 303.406 2.309 10 0 DEAELP Cc1cnc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)s1 ZINC000182606416 402703439 /nfs/dbraw/zinc/70/34/39/402703439.db2.gz IVSVORREXASOKT-XYPWUTKMSA-N 2 2 320.506 2.194 10 0 DEAELP Cc1cnc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)s1 ZINC000182606416 402703440 /nfs/dbraw/zinc/70/34/40/402703440.db2.gz IVSVORREXASOKT-XYPWUTKMSA-N 2 2 320.506 2.194 10 0 DEAELP C[N@@H+](CC(=O)Nc1cc(F)cc(F)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000172584247 402664409 /nfs/dbraw/zinc/66/44/09/402664409.db2.gz FVVYAPDMTDQMLC-GFCCVEGCSA-N 2 2 311.376 2.177 10 0 DEAELP C[N@H+](CC(=O)Nc1cc(F)cc(F)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000172584247 402664410 /nfs/dbraw/zinc/66/44/10/402664410.db2.gz FVVYAPDMTDQMLC-GFCCVEGCSA-N 2 2 311.376 2.177 10 0 DEAELP C[NH+](CC(=O)Nc1cc(F)cc(F)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000172584247 402664411 /nfs/dbraw/zinc/66/44/11/402664411.db2.gz FVVYAPDMTDQMLC-GFCCVEGCSA-N 2 2 311.376 2.177 10 0 DEAELP C[NH+](CC(=O)Nc1cc(F)cc(F)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000172584247 402664412 /nfs/dbraw/zinc/66/44/12/402664412.db2.gz FVVYAPDMTDQMLC-GFCCVEGCSA-N 2 2 311.376 2.177 10 0 DEAELP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cc(C(N)=O)cs2)C1 ZINC000182090843 402666782 /nfs/dbraw/zinc/66/67/82/402666782.db2.gz QIGLGKBVLAYLKJ-LBPRGKRZSA-N 2 2 318.446 2.035 10 0 DEAELP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cc(C(N)=O)cs2)C1 ZINC000182090843 402666786 /nfs/dbraw/zinc/66/67/86/402666786.db2.gz QIGLGKBVLAYLKJ-LBPRGKRZSA-N 2 2 318.446 2.035 10 0 DEAELP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccnn1C ZINC000192694657 402744234 /nfs/dbraw/zinc/74/42/34/402744234.db2.gz ZKINIDKMDUJKMB-OAHLLOKOSA-N 2 2 314.433 2.103 10 0 DEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccccc2OC)[C@H](C)C1 ZINC000174776799 402757013 /nfs/dbraw/zinc/75/70/13/402757013.db2.gz PLJPXVFHZFIVPO-ZBFHGGJFSA-N 2 2 319.449 2.296 10 0 DEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccccc2OC)[C@H](C)C1 ZINC000174776799 402757016 /nfs/dbraw/zinc/75/70/16/402757016.db2.gz PLJPXVFHZFIVPO-ZBFHGGJFSA-N 2 2 319.449 2.296 10 0 DEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2ccccc2OC)[C@H](C)C1 ZINC000174776799 402757018 /nfs/dbraw/zinc/75/70/18/402757018.db2.gz PLJPXVFHZFIVPO-ZBFHGGJFSA-N 2 2 319.449 2.296 10 0 DEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccccc2OC)[C@H](C)C1 ZINC000174776799 402757020 /nfs/dbraw/zinc/75/70/20/402757020.db2.gz PLJPXVFHZFIVPO-ZBFHGGJFSA-N 2 2 319.449 2.296 10 0 DEAELP CCC[N@@H+]1CC[C@H](CNC(=O)NCc2[nH+]ccn2CC(C)C)C1 ZINC000175556143 402817289 /nfs/dbraw/zinc/81/72/89/402817289.db2.gz RHXFBUPEARTTEC-OAHLLOKOSA-N 2 2 321.469 2.070 10 0 DEAELP CCC[N@H+]1CC[C@H](CNC(=O)NCc2[nH+]ccn2CC(C)C)C1 ZINC000175556143 402817291 /nfs/dbraw/zinc/81/72/91/402817291.db2.gz RHXFBUPEARTTEC-OAHLLOKOSA-N 2 2 321.469 2.070 10 0 DEAELP CCc1nnc(C[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)o1 ZINC000195516228 402849768 /nfs/dbraw/zinc/84/97/68/402849768.db2.gz KAWXCUDQWZILGP-CYBMUJFWSA-N 2 2 301.394 2.269 10 0 DEAELP CCc1nnc(C[N@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)o1 ZINC000195516228 402849770 /nfs/dbraw/zinc/84/97/70/402849770.db2.gz KAWXCUDQWZILGP-CYBMUJFWSA-N 2 2 301.394 2.269 10 0 DEAELP Cc1cn2cc(NC(=O)N[C@H]3CC[N@@H+]4CCCC[C@H]34)ccc2[nH+]1 ZINC000265711616 402942201 /nfs/dbraw/zinc/94/22/01/402942201.db2.gz LTJWTLRBYAKTPW-LSDHHAIUSA-N 2 2 313.405 2.391 10 0 DEAELP Cc1cn2cc(NC(=O)N[C@H]3CC[N@H+]4CCCC[C@H]34)ccc2[nH+]1 ZINC000265711616 402942202 /nfs/dbraw/zinc/94/22/02/402942202.db2.gz LTJWTLRBYAKTPW-LSDHHAIUSA-N 2 2 313.405 2.391 10 0 DEAELP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000333191673 403689849 /nfs/dbraw/zinc/68/98/49/403689849.db2.gz AAWHGDLWIMJTLX-KFWWJZLASA-N 2 2 319.453 2.138 10 0 DEAELP O=C(Nc1ccn2cc[nH+]c2c1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000333300960 403720086 /nfs/dbraw/zinc/72/00/86/403720086.db2.gz KIPCVQUVOYXOIU-UHFFFAOYSA-N 2 2 313.405 2.332 10 0 DEAELP C[C@@H]1CCCN(c2cc(N3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)nc[nH+]2)C1 ZINC000333576932 403784054 /nfs/dbraw/zinc/78/40/54/403784054.db2.gz SUWFPVDGEMJAQA-FXUDXRNXSA-N 2 2 315.465 2.277 10 0 DEAELP C[C@@H]1CCCN(c2cc(N3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)[nH+]cn2)C1 ZINC000333576932 403784057 /nfs/dbraw/zinc/78/40/57/403784057.db2.gz SUWFPVDGEMJAQA-FXUDXRNXSA-N 2 2 315.465 2.277 10 0 DEAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2ccc(CO)o2)C1 ZINC000328646207 404122236 /nfs/dbraw/zinc/12/22/36/404122236.db2.gz SNGDKAOIGPQJKI-MRXNPFEDSA-N 2 2 315.417 2.121 10 0 DEAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](Cc2ccc(CO)o2)C1 ZINC000328646207 404122245 /nfs/dbraw/zinc/12/22/45/404122245.db2.gz SNGDKAOIGPQJKI-MRXNPFEDSA-N 2 2 315.417 2.121 10 0 DEAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](Cc2ccc(CO)o2)C1 ZINC000328646207 404122251 /nfs/dbraw/zinc/12/22/51/404122251.db2.gz SNGDKAOIGPQJKI-MRXNPFEDSA-N 2 2 315.417 2.121 10 0 DEAELP CC[N@H+](CCNC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1)C1CC1 ZINC000369821571 404238994 /nfs/dbraw/zinc/23/89/94/404238994.db2.gz ZKNMRIGGCMAAEO-CYBMUJFWSA-N 2 2 318.465 2.239 10 0 DEAELP CC[N@@H+](CCNC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1)C1CC1 ZINC000369821571 404238998 /nfs/dbraw/zinc/23/89/98/404238998.db2.gz ZKNMRIGGCMAAEO-CYBMUJFWSA-N 2 2 318.465 2.239 10 0 DEAELP CC[N@H+](CCNC(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1)C1CC1 ZINC000369821571 404239004 /nfs/dbraw/zinc/23/90/04/404239004.db2.gz ZKNMRIGGCMAAEO-CYBMUJFWSA-N 2 2 318.465 2.239 10 0 DEAELP CC[N@@H+](CCNC(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1)C1CC1 ZINC000369821571 404239009 /nfs/dbraw/zinc/23/90/09/404239009.db2.gz ZKNMRIGGCMAAEO-CYBMUJFWSA-N 2 2 318.465 2.239 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N(C)C1CC[NH+](C)CC1)C2 ZINC000364556258 404447588 /nfs/dbraw/zinc/44/75/88/404447588.db2.gz XLQVZYXNOJMZBU-CYBMUJFWSA-N 2 2 318.465 2.191 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N(C)C1CC[NH+](C)CC1)CC2 ZINC000364556258 404447595 /nfs/dbraw/zinc/44/75/95/404447595.db2.gz XLQVZYXNOJMZBU-CYBMUJFWSA-N 2 2 318.465 2.191 10 0 DEAELP c1nnn(Cc2ccccc2)c1C[NH2+]CCCNc1cccc[nH+]1 ZINC000291989247 404615502 /nfs/dbraw/zinc/61/55/02/404615502.db2.gz SXPAKERXJUNECB-UHFFFAOYSA-N 2 2 322.416 2.313 10 0 DEAELP c1nc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)n[nH]1 ZINC000568266947 292328219 /nfs/dbraw/zinc/32/82/19/292328219.db2.gz VGSJQLPRSHYPLM-INIZCTEOSA-N 2 2 311.433 2.134 10 0 DEAELP c1nc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)n[nH]1 ZINC000568266947 292328221 /nfs/dbraw/zinc/32/82/21/292328221.db2.gz VGSJQLPRSHYPLM-INIZCTEOSA-N 2 2 311.433 2.134 10 0 DEAELP CN(C)c1nc(N2CC[NH+]([C@@H]3C[C@H]3c3ccccc3)CC2)cc[nH+]1 ZINC000361307365 405016078 /nfs/dbraw/zinc/01/60/78/405016078.db2.gz GEVAGRKKQSOJER-DLBZAZTESA-N 2 2 323.444 2.221 10 0 DEAELP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000361543071 405123241 /nfs/dbraw/zinc/12/32/41/405123241.db2.gz KBECMPNFRHWDCT-HZPDHXFCSA-N 2 2 318.465 2.076 10 0 DEAELP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000361543071 405123243 /nfs/dbraw/zinc/12/32/43/405123243.db2.gz KBECMPNFRHWDCT-HZPDHXFCSA-N 2 2 318.465 2.076 10 0 DEAELP c1cc(C[NH+]2CCOCC2)cc(C[N@@H+]2CCOCC3(CC3)C2)c1 ZINC000420928270 405407978 /nfs/dbraw/zinc/40/79/78/405407978.db2.gz CLXSVKGCOLRAOZ-UHFFFAOYSA-N 2 2 316.445 2.131 10 0 DEAELP c1cc(C[NH+]2CCOCC2)cc(C[N@H+]2CCOCC3(CC3)C2)c1 ZINC000420928270 405407981 /nfs/dbraw/zinc/40/79/81/405407981.db2.gz CLXSVKGCOLRAOZ-UHFFFAOYSA-N 2 2 316.445 2.131 10 0 DEAELP c1ccc(C(C[NH+]2CCCOCC2)C[N@@H+]2CCCOCC2)cc1 ZINC000639466023 406100455 /nfs/dbraw/zinc/10/04/55/406100455.db2.gz RQXUGGZKFMUEDH-UHFFFAOYSA-N 2 2 318.461 2.215 10 0 DEAELP c1ccc(C(C[NH+]2CCCOCC2)C[N@H+]2CCCOCC2)cc1 ZINC000639466023 406100459 /nfs/dbraw/zinc/10/04/59/406100459.db2.gz RQXUGGZKFMUEDH-UHFFFAOYSA-N 2 2 318.461 2.215 10 0 DEAELP CNc1nc(N[C@@H](C[NH+](C)C)C(C)C)c(Br)c[nH+]1 ZINC000130977560 196128399 /nfs/dbraw/zinc/12/83/99/196128399.db2.gz VXJAUJIRLRTBDU-JTQLQIEISA-N 2 2 316.247 2.279 10 0 DEAELP C(CNC1=[NH+]CC2(CCCCC2)CS1)C[NH+]1CCOCC1 ZINC000131106288 196140408 /nfs/dbraw/zinc/14/04/08/196140408.db2.gz CHVPQCWMTKKNPL-UHFFFAOYSA-N 2 2 311.495 2.352 10 0 DEAELP O=C(C1CC[NH+](CCn2cc[nH+]c2)CC1)N1CCc2ccccc21 ZINC000131832302 196202841 /nfs/dbraw/zinc/20/28/41/196202841.db2.gz MLAYFBITBPYQAD-UHFFFAOYSA-N 2 2 324.428 2.184 10 0 DEAELP CC(C)OC[C@H](O)C[NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000398079681 424922098 /nfs/dbraw/zinc/92/20/98/424922098.db2.gz RFEWAAQCQOLLPF-MOPGFXCFSA-N 2 2 320.477 2.417 10 0 DEAELP CC(C)OC[C@H](O)C[NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000398079681 424922099 /nfs/dbraw/zinc/92/20/99/424922099.db2.gz RFEWAAQCQOLLPF-MOPGFXCFSA-N 2 2 320.477 2.417 10 0 DEAELP CCCC[C@H](COC)[NH2+]C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000180571197 276243211 /nfs/dbraw/zinc/24/32/11/276243211.db2.gz CKTUSESZYHWELL-CABCVRRESA-N 2 2 321.469 2.282 10 0 DEAELP C[C@@H](CCn1cccn1)[NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000328622950 533694537 /nfs/dbraw/zinc/69/45/37/533694537.db2.gz BPSOHQKWMUAPHN-SZMVWBNQSA-N 2 2 313.449 2.339 10 0 DEAELP C[C@@H](CCn1cccn1)[NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000328622950 533694550 /nfs/dbraw/zinc/69/45/50/533694550.db2.gz BPSOHQKWMUAPHN-SZMVWBNQSA-N 2 2 313.449 2.339 10 0 DEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000246173706 519522337 /nfs/dbraw/zinc/52/23/37/519522337.db2.gz GIFGDSNGSOYUPV-HUUCEWRRSA-N 2 2 321.469 2.021 10 0 DEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000246173706 519522346 /nfs/dbraw/zinc/52/23/46/519522346.db2.gz GIFGDSNGSOYUPV-HUUCEWRRSA-N 2 2 321.469 2.021 10 0 DEAELP CCC[C@@H](C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1)[NH+](C)C ZINC000162156660 520583400 /nfs/dbraw/zinc/58/34/00/520583400.db2.gz UCITVWDUHGQWDL-WBVHZDCISA-N 2 2 318.465 2.017 10 0 DEAELP Cc1nc(NC[C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)c2c([nH+]1)CCCC2 ZINC000302074984 534624552 /nfs/dbraw/zinc/62/45/52/534624552.db2.gz GOHUZKZEJGJXKA-HUUCEWRRSA-N 2 2 316.449 2.329 10 0 DEAELP Cc1nc(NC[C@@H]2C[N@H+]3CCCC[C@@H]3CO2)c2c([nH+]1)CCCC2 ZINC000302074984 534624555 /nfs/dbraw/zinc/62/45/55/534624555.db2.gz GOHUZKZEJGJXKA-HUUCEWRRSA-N 2 2 316.449 2.329 10 0 DEAELP CC(C)N1CCC[C@H]([N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)C1=O ZINC000248358600 535178019 /nfs/dbraw/zinc/17/80/19/535178019.db2.gz QYUYOEQUDYMLHW-HOTGVXAUSA-N 2 2 316.449 2.215 10 0 DEAELP CC(C)N1CCC[C@H]([N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)C1=O ZINC000248358600 535178023 /nfs/dbraw/zinc/17/80/23/535178023.db2.gz QYUYOEQUDYMLHW-HOTGVXAUSA-N 2 2 316.449 2.215 10 0 DEAELP COC(=O)[C@H](C1CC1)[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000359604812 536645357 /nfs/dbraw/zinc/64/53/57/536645357.db2.gz FFLHZFQDSLVXIB-RDJZCZTQSA-N 2 2 308.466 2.382 10 0 DEAELP COC(=O)[C@H](C1CC1)[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000359604812 536645363 /nfs/dbraw/zinc/64/53/63/536645363.db2.gz FFLHZFQDSLVXIB-RDJZCZTQSA-N 2 2 308.466 2.382 10 0 DEAELP C[C@@H](CNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)[NH+]1CCCCC1 ZINC000726708600 636457183 /nfs/dbraw/zinc/45/71/83/636457183.db2.gz OVMROEZNXVOCOQ-AWEZNQCLSA-N 2 2 319.453 2.173 10 0 DEAELP CC(C)[N@@H+]1CCCN(C(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000738949775 637545656 /nfs/dbraw/zinc/54/56/56/637545656.db2.gz CEGJJWRUXWZTEC-UHFFFAOYSA-N 2 2 301.394 2.282 10 0 DEAELP CC(C)[N@H+]1CCCN(C(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000738949775 637545662 /nfs/dbraw/zinc/54/56/62/637545662.db2.gz CEGJJWRUXWZTEC-UHFFFAOYSA-N 2 2 301.394 2.282 10 0 DEAELP CC[C@H](CC[NH3+])[NH+]1CCN(c2nc(C(C)(C)C)ns2)CC1 ZINC000087639622 185229827 /nfs/dbraw/zinc/22/98/27/185229827.db2.gz UCYDVEWZCBWQTA-GFCCVEGCSA-N 2 2 311.499 2.085 10 0 DEAELP Cn1cc[nH+]c1Cn1c(N)[nH+]c2ccc(Br)cc21 ZINC000087837583 185232995 /nfs/dbraw/zinc/23/29/95/185232995.db2.gz VSHRZOXEQYATCP-UHFFFAOYSA-N 2 2 306.167 2.163 10 0 DEAELP Clc1ccc(C[NH+]2CCN(C3C[NH2+]C3)CC2)cc1Cl ZINC000090306601 185290244 /nfs/dbraw/zinc/29/02/44/185290244.db2.gz XKUTWVCDDWDUNK-UHFFFAOYSA-N 2 2 300.233 2.083 10 0 DEAELP C[C@H](c1cccc(Br)c1)[NH+]1CCN(C2C[NH2+]C2)CC1 ZINC000090306264 185290373 /nfs/dbraw/zinc/29/03/73/185290373.db2.gz WTSOJSJLWOXDNC-GFCCVEGCSA-N 2 2 324.266 2.100 10 0 DEAELP C[C@@H]1[C@@H]2C[NH2+]C[C@@H]2C[N@@H+]1Cc1cc(Cl)c2c(c1)OCCO2 ZINC000090327326 185291182 /nfs/dbraw/zinc/29/11/82/185291182.db2.gz ZQFCDWJNJSJGQF-RTXFEEFZSA-N 2 2 308.809 2.151 10 0 DEAELP C[C@@H]1[C@@H]2C[NH2+]C[C@@H]2C[N@H+]1Cc1cc(Cl)c2c(c1)OCCO2 ZINC000090327326 185291183 /nfs/dbraw/zinc/29/11/83/185291183.db2.gz ZQFCDWJNJSJGQF-RTXFEEFZSA-N 2 2 308.809 2.151 10 0 DEAELP CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2C[N@@H+]1CC(=O)Nc1cccc(Cl)c1 ZINC000090332915 185291693 /nfs/dbraw/zinc/29/16/93/185291693.db2.gz PMBLWQIVEMCHGV-BYCMXARLSA-N 2 2 307.825 2.208 10 0 DEAELP CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2C[N@H+]1CC(=O)Nc1cccc(Cl)c1 ZINC000090332915 185291694 /nfs/dbraw/zinc/29/16/94/185291694.db2.gz PMBLWQIVEMCHGV-BYCMXARLSA-N 2 2 307.825 2.208 10 0 DEAELP COc1c(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c(C)nn1C ZINC000092812733 185343607 /nfs/dbraw/zinc/34/36/07/185343607.db2.gz JQCMEWGGXOFFDH-CQSZACIVSA-N 2 2 315.421 2.066 10 0 DEAELP COc1c(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c(C)nn1C ZINC000092812733 185343608 /nfs/dbraw/zinc/34/36/08/185343608.db2.gz JQCMEWGGXOFFDH-CQSZACIVSA-N 2 2 315.421 2.066 10 0 DEAELP C[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc(Cl)c1-n1cc[nH+]c1 ZINC000092951637 185350385 /nfs/dbraw/zinc/35/03/85/185350385.db2.gz BQFYHOGHMUTITN-MNOVXSKESA-N 2 2 304.781 2.462 10 0 DEAELP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC000162458886 539597164 /nfs/dbraw/zinc/59/71/64/539597164.db2.gz BURWDFXSGOAFBA-HIFRSBDPSA-N 2 2 320.481 2.450 10 0 DEAELP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC000162458886 539597166 /nfs/dbraw/zinc/59/71/66/539597166.db2.gz BURWDFXSGOAFBA-HIFRSBDPSA-N 2 2 320.481 2.450 10 0 DEAELP Cc1ccc(C)c(OC[C@@H](O)C[NH+]2CCC([NH+](C)C)CC2)c1C ZINC000193812340 539714357 /nfs/dbraw/zinc/71/43/57/539714357.db2.gz XCFDFTLHOIMMHX-SFHVURJKSA-N 2 2 320.477 2.378 10 0 DEAELP C[C@@H](C(=O)Nc1cccc(Cl)c1-n1cc[nH+]c1)C1C[NH2+]C1 ZINC000163932293 186142985 /nfs/dbraw/zinc/14/29/85/186142985.db2.gz MUSRGWMEVZUZKA-SNVBAGLBSA-N 2 2 304.781 2.320 10 0 DEAELP C[C@@H]([NH2+]CC1([NH+](C)C)CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400512738 283158020 /nfs/dbraw/zinc/15/80/20/283158020.db2.gz MAFNHFLMXBKEDH-KGLIPLIRSA-N 2 2 311.470 2.316 10 0 DEAELP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1nc2ccccc2n1C ZINC000180044976 199111440 /nfs/dbraw/zinc/11/14/40/199111440.db2.gz NMQYEBRFDVEDPT-CABCVRRESA-N 2 2 316.449 2.071 10 0 DEAELP O=c1[nH]c(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)nc2ccccc21 ZINC000605421236 360966958 /nfs/dbraw/zinc/96/69/58/360966958.db2.gz UISNKDPSAZJBLY-UHFFFAOYSA-N 2 2 309.373 2.438 10 0 DEAELP CC[C@@](C)([C@@H]([NH3+])CCCS(=O)(=O)CC)[NH+]1CCCCC1 ZINC000091608947 193079957 /nfs/dbraw/zinc/07/99/57/193079957.db2.gz YJSQTSIBJHMIRB-GJZGRUSLSA-N 2 2 304.500 2.183 10 0 DEAELP Cc1cc(C)n2c(C[N@H+](C)C[C@@H]3CCC[NH+](C)C3)cnc2n1 ZINC000092253644 193181586 /nfs/dbraw/zinc/18/15/86/193181586.db2.gz BSSWVLYMFIPRRS-OAHLLOKOSA-N 2 2 301.438 2.120 10 0 DEAELP Cc1cc(C)n2c(C[N@@H+](C)C[C@@H]3CCC[NH+](C)C3)cnc2n1 ZINC000092253644 193181587 /nfs/dbraw/zinc/18/15/87/193181587.db2.gz BSSWVLYMFIPRRS-OAHLLOKOSA-N 2 2 301.438 2.120 10 0 DEAELP Cc1cc(C)n2c(C[NH+](C)C[C@@H]3CCC[N@H+](C)C3)cnc2n1 ZINC000092253644 193181588 /nfs/dbraw/zinc/18/15/88/193181588.db2.gz BSSWVLYMFIPRRS-OAHLLOKOSA-N 2 2 301.438 2.120 10 0 DEAELP Cc1cc(C)n2c(C[NH+](C)C[C@@H]3CCC[N@@H+](C)C3)cnc2n1 ZINC000092253644 193181590 /nfs/dbraw/zinc/18/15/90/193181590.db2.gz BSSWVLYMFIPRRS-OAHLLOKOSA-N 2 2 301.438 2.120 10 0 DEAELP CC(C)(C[N@@H+]1CCC[NH2+][C@@H](C2CCCCC2)C1)S(C)(=O)=O ZINC000093525726 193264384 /nfs/dbraw/zinc/26/43/84/193264384.db2.gz YUZYTODBSDZKTC-OAHLLOKOSA-N 2 2 316.511 2.054 10 0 DEAELP CC(C)(C[N@H+]1CCC[NH2+][C@@H](C2CCCCC2)C1)S(C)(=O)=O ZINC000093525726 193264385 /nfs/dbraw/zinc/26/43/85/193264385.db2.gz YUZYTODBSDZKTC-OAHLLOKOSA-N 2 2 316.511 2.054 10 0 DEAELP C[NH2+][C@H](c1ccc(C(F)(F)F)cc1)[C@@H]1C[N@H+](C)CCN1C ZINC000093894768 193325045 /nfs/dbraw/zinc/32/50/45/193325045.db2.gz QBKZXIIGKNUKKO-UONOGXRCSA-N 2 2 301.356 2.212 10 0 DEAELP C[NH2+][C@H](c1ccc(C(F)(F)F)cc1)[C@@H]1C[N@@H+](C)CCN1C ZINC000093894768 193325047 /nfs/dbraw/zinc/32/50/47/193325047.db2.gz QBKZXIIGKNUKKO-UONOGXRCSA-N 2 2 301.356 2.212 10 0 DEAELP CCC[NH2+][C@@H]1CCCc2nc([C@H]3C[N@H+](C)CCN3C)sc21 ZINC000093896230 193325322 /nfs/dbraw/zinc/32/53/22/193325322.db2.gz HKMBHALKBLIYEM-TZMCWYRMSA-N 2 2 308.495 2.438 10 0 DEAELP CCC[NH2+][C@@H]1CCCc2nc([C@H]3C[N@@H+](C)CCN3C)sc21 ZINC000093896230 193325324 /nfs/dbraw/zinc/32/53/24/193325324.db2.gz HKMBHALKBLIYEM-TZMCWYRMSA-N 2 2 308.495 2.438 10 0 DEAELP C[NH2+][C@H](Cc1ccc(Cl)c(Cl)c1)[C@H]1C[N@H+](C)CCN1C ZINC000093894934 193325883 /nfs/dbraw/zinc/32/58/83/193325883.db2.gz RSJFJFIUHZHMJJ-HUUCEWRRSA-N 2 2 316.276 2.370 10 0 DEAELP C[NH2+][C@H](Cc1ccc(Cl)c(Cl)c1)[C@H]1C[N@@H+](C)CCN1C ZINC000093894934 193325885 /nfs/dbraw/zinc/32/58/85/193325885.db2.gz RSJFJFIUHZHMJJ-HUUCEWRRSA-N 2 2 316.276 2.370 10 0 DEAELP CC[NH+](CC)C(C)(C)[C@H]([NH2+]C)[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094642881 193388619 /nfs/dbraw/zinc/38/86/19/193388619.db2.gz TZLRFBKQSJZHFL-SOUVJXGZSA-N 2 2 318.527 2.298 10 0 DEAELP CCC[NH2+][C@H](Cc1cccc(Cl)c1)[C@H]1C[NH+]2CCN1CC2 ZINC000094510983 193375333 /nfs/dbraw/zinc/37/53/33/193375333.db2.gz LWKDGWONISUMTP-IAGOWNOFSA-N 2 2 307.869 2.251 10 0 DEAELP CCC[NH2+][C@@H](Cc1ccc(Cl)cc1)[C@@H]1C[NH+]2CCN1CC2 ZINC000094510752 193375770 /nfs/dbraw/zinc/37/57/70/193375770.db2.gz XNNRQDIKZGKRFU-IRXDYDNUSA-N 2 2 307.869 2.251 10 0 DEAELP C[NH2+]CCc1cn(Cc2ccc(OC)c(Br)c2)c[nH+]1 ZINC000094529646 193377348 /nfs/dbraw/zinc/37/73/48/193377348.db2.gz JZWXJDZMNGSIFH-UHFFFAOYSA-N 2 2 324.222 2.464 10 0 DEAELP C[C@H]1CN(C(=O)NC2CCCCC2)C[C@H](C)[NH+]1CCC[NH+](C)C ZINC000036125093 182804699 /nfs/dbraw/zinc/80/46/99/182804699.db2.gz NYXYUWPDQVSASS-HOTGVXAUSA-N 2 2 324.513 2.375 10 0 DEAELP CC(C)[N@H+](CCO)[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000042955219 183322315 /nfs/dbraw/zinc/32/23/15/183322315.db2.gz RIKLPGIZTYONOU-ZDUSSCGKSA-N 2 2 301.228 2.152 10 0 DEAELP CC(C)[N@@H+](CCO)[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000042955219 183322317 /nfs/dbraw/zinc/32/23/17/183322317.db2.gz RIKLPGIZTYONOU-ZDUSSCGKSA-N 2 2 301.228 2.152 10 0 DEAELP CC[C@H]([NH3+])[C@@H](c1cccc(Br)c1)[N@H+](C)CCO ZINC000043021008 183329450 /nfs/dbraw/zinc/32/94/50/183329450.db2.gz QIXXUEGVJNZVTH-QWHCGFSZSA-N 2 2 301.228 2.152 10 0 DEAELP CC[C@H]([NH3+])[C@@H](c1cccc(Br)c1)[N@@H+](C)CCO ZINC000043021008 183329451 /nfs/dbraw/zinc/32/94/51/183329451.db2.gz QIXXUEGVJNZVTH-QWHCGFSZSA-N 2 2 301.228 2.152 10 0 DEAELP C[NH+]1CCC(Nc2[nH+]c3c(cc2C(N)=S)CCCC3)CC1 ZINC000043410831 183359593 /nfs/dbraw/zinc/35/95/93/183359593.db2.gz PULNIPCYZWFXFF-UHFFFAOYSA-N 2 2 304.463 2.101 10 0 DEAELP CC(C)Cc1noc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)n1 ZINC000105876219 194152820 /nfs/dbraw/zinc/15/28/20/194152820.db2.gz JZSADOKVANEWDZ-UHFFFAOYSA-N 2 2 317.437 2.456 10 0 DEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C(N)=O)c2ccccc2)C1 ZINC000105897159 194163414 /nfs/dbraw/zinc/16/34/14/194163414.db2.gz UPEWUEJIMSOOPF-WBVHZDCISA-N 2 2 312.417 2.309 10 0 DEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C(N)=O)c2ccccc2)C1 ZINC000105897159 194163417 /nfs/dbraw/zinc/16/34/17/194163417.db2.gz UPEWUEJIMSOOPF-WBVHZDCISA-N 2 2 312.417 2.309 10 0 DEAELP CCc1nc(N2CCn3cc[nH+]c3C2)sc1C[NH2+]C1CC1 ZINC000062328113 184230876 /nfs/dbraw/zinc/23/08/76/184230876.db2.gz ZPXJUIUNWGDQBQ-UHFFFAOYSA-N 2 2 303.435 2.174 10 0 DEAELP CCO[C@@H](C[NH3+])C[N@H+](C)Cc1cc(Br)cs1 ZINC000062739754 184252102 /nfs/dbraw/zinc/25/21/02/184252102.db2.gz UWMBUHJIYHZTDI-JTQLQIEISA-N 2 2 307.257 2.306 10 0 DEAELP CCO[C@@H](C[NH3+])C[N@@H+](C)Cc1cc(Br)cs1 ZINC000062739754 184252104 /nfs/dbraw/zinc/25/21/04/184252104.db2.gz UWMBUHJIYHZTDI-JTQLQIEISA-N 2 2 307.257 2.306 10 0 DEAELP O=C(C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)Nc1cccc(Cl)c1 ZINC000157968333 197231144 /nfs/dbraw/zinc/23/11/44/197231144.db2.gz YCEVSTMYWFCDIK-UKRRQHHQSA-N 2 2 307.825 2.495 10 0 DEAELP O=C(C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)Nc1cccc(Cl)c1 ZINC000157968333 197231146 /nfs/dbraw/zinc/23/11/46/197231146.db2.gz YCEVSTMYWFCDIK-UKRRQHHQSA-N 2 2 307.825 2.495 10 0 DEAELP c1ccc2nc(CC[NH2+][C@@H](C3CC3)[C@H]3C[NH2+]CCO3)ccc2c1 ZINC000422792506 285528465 /nfs/dbraw/zinc/52/84/65/285528465.db2.gz ZIRYUDVRUIOMPB-MOPGFXCFSA-N 2 2 311.429 2.134 10 0 DEAELP Cc1cc(NC(=O)CC[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)no1 ZINC000246345033 145099221 /nfs/dbraw/zinc/09/92/21/145099221.db2.gz VEYHOUNCJAYRDI-JSGCOSHPSA-N 2 2 317.393 2.091 10 0 DEAELP Cc1cc(NC(=O)CC[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)no1 ZINC000246345033 145099223 /nfs/dbraw/zinc/09/92/23/145099223.db2.gz VEYHOUNCJAYRDI-JSGCOSHPSA-N 2 2 317.393 2.091 10 0 DEAELP Cc1nn(C)c2ncc(C[NH+](C)[C@@H]3CC[N@H+](C)[C@@H](C)C3)cc12 ZINC000246788198 145114254 /nfs/dbraw/zinc/11/42/54/145114254.db2.gz OWVMBOCFKDALQH-SWLSCSKDSA-N 2 2 301.438 2.191 10 0 DEAELP Cc1nn(C)c2ncc(C[NH+](C)[C@@H]3CC[N@@H+](C)[C@@H](C)C3)cc12 ZINC000246788198 145114256 /nfs/dbraw/zinc/11/42/56/145114256.db2.gz OWVMBOCFKDALQH-SWLSCSKDSA-N 2 2 301.438 2.191 10 0 DEAELP Cc1nn(C)c2ncc(C[N@@H+](C)[C@@H]3CC[NH+](C)[C@@H](C)C3)cc12 ZINC000246788198 145114257 /nfs/dbraw/zinc/11/42/57/145114257.db2.gz OWVMBOCFKDALQH-SWLSCSKDSA-N 2 2 301.438 2.191 10 0 DEAELP Cc1nn(C)c2ncc(C[N@H+](C)[C@@H]3CC[NH+](C)[C@@H](C)C3)cc12 ZINC000246788198 145114259 /nfs/dbraw/zinc/11/42/59/145114259.db2.gz OWVMBOCFKDALQH-SWLSCSKDSA-N 2 2 301.438 2.191 10 0 DEAELP COC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)C1CC1 ZINC000247136008 145126947 /nfs/dbraw/zinc/12/69/47/145126947.db2.gz AVKYGFSTMQHEKM-QGTPRVQTSA-N 2 2 303.450 2.307 10 0 DEAELP COC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)C1CC1 ZINC000247136008 145126949 /nfs/dbraw/zinc/12/69/49/145126949.db2.gz AVKYGFSTMQHEKM-QGTPRVQTSA-N 2 2 303.450 2.307 10 0 DEAELP C[C@H]1C[N@@H+](C2CC[NH+](C[C@@](C)(O)c3ccccc3)CC2)CCO1 ZINC000247577609 145141371 /nfs/dbraw/zinc/14/13/71/145141371.db2.gz IALSCYWQBDDHBA-QFBILLFUSA-N 2 2 318.461 2.079 10 0 DEAELP C[C@H]1C[N@H+](C2CC[NH+](C[C@@](C)(O)c3ccccc3)CC2)CCO1 ZINC000247577609 145141373 /nfs/dbraw/zinc/14/13/73/145141373.db2.gz IALSCYWQBDDHBA-QFBILLFUSA-N 2 2 318.461 2.079 10 0 DEAELP C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)[C@@H]1CCOC1 ZINC000247942456 145145933 /nfs/dbraw/zinc/14/59/33/145145933.db2.gz DCPVNGSCYHXZBI-KONPQCLYSA-N 2 2 303.450 2.307 10 0 DEAELP C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)[C@@H]1CCOC1 ZINC000247942456 145145935 /nfs/dbraw/zinc/14/59/35/145145935.db2.gz DCPVNGSCYHXZBI-KONPQCLYSA-N 2 2 303.450 2.307 10 0 DEAELP C[C@H](C(=O)NCc1ccccc1Cl)[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261638751 145212396 /nfs/dbraw/zinc/21/23/96/145212396.db2.gz DIPSHJOKKNFVSN-IUODEOHRSA-N 2 2 323.868 2.404 10 0 DEAELP C[C@H](C(=O)NCc1ccccc1Cl)[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261638751 145212398 /nfs/dbraw/zinc/21/23/98/145212398.db2.gz DIPSHJOKKNFVSN-IUODEOHRSA-N 2 2 323.868 2.404 10 0 DEAELP CSc1cccc(NC(=O)C[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)c1 ZINC000261675805 145215680 /nfs/dbraw/zinc/21/56/80/145215680.db2.gz GOJSHDTYWNAILM-AWEZNQCLSA-N 2 2 307.463 2.406 10 0 DEAELP CSc1cccc(NC(=O)C[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)c1 ZINC000261675805 145215681 /nfs/dbraw/zinc/21/56/81/145215681.db2.gz GOJSHDTYWNAILM-AWEZNQCLSA-N 2 2 307.463 2.406 10 0 DEAELP C[C@]1(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)CC[NH2+]C1 ZINC000261719966 145219672 /nfs/dbraw/zinc/21/96/72/145219672.db2.gz FSLUKQNFMLFICV-SFHVURJKSA-N 3 2 302.466 2.398 10 0 DEAELP Cc1ccccc1CNC(=O)[C@H](C)[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261872754 145235941 /nfs/dbraw/zinc/23/59/41/145235941.db2.gz TVBGQKRLOKKGTH-HOCLYGCPSA-N 2 2 303.450 2.059 10 0 DEAELP Cc1ccccc1CNC(=O)[C@H](C)[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261872754 145235942 /nfs/dbraw/zinc/23/59/42/145235942.db2.gz TVBGQKRLOKKGTH-HOCLYGCPSA-N 2 2 303.450 2.059 10 0 DEAELP COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000261871285 145236396 /nfs/dbraw/zinc/23/63/96/145236396.db2.gz SYLJTESCAGWRSA-WFASDCNBSA-N 2 2 305.422 2.081 10 0 DEAELP COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000261871285 145236398 /nfs/dbraw/zinc/23/63/98/145236398.db2.gz SYLJTESCAGWRSA-WFASDCNBSA-N 2 2 305.422 2.081 10 0 DEAELP C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261923753 145242351 /nfs/dbraw/zinc/24/23/51/145242351.db2.gz YYKBWFZIVGEPHB-HZMBPMFUSA-N 2 2 311.376 2.351 10 0 DEAELP C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261923753 145242353 /nfs/dbraw/zinc/24/23/53/145242353.db2.gz YYKBWFZIVGEPHB-HZMBPMFUSA-N 2 2 311.376 2.351 10 0 DEAELP C[N@H+](C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)C[C@]1(C)CC[NH2+]C1 ZINC000262093901 145260347 /nfs/dbraw/zinc/26/03/47/145260347.db2.gz UZWLPHOZBIFHKC-OKZBNKHCSA-N 3 2 302.466 2.006 10 0 DEAELP C[N@@H+](C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)C[C@]1(C)CC[NH2+]C1 ZINC000262093901 145260349 /nfs/dbraw/zinc/26/03/49/145260349.db2.gz UZWLPHOZBIFHKC-OKZBNKHCSA-N 3 2 302.466 2.006 10 0 DEAELP C[NH+](C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)C[C@]1(C)CC[NH2+]C1 ZINC000262093901 145260350 /nfs/dbraw/zinc/26/03/50/145260350.db2.gz UZWLPHOZBIFHKC-OKZBNKHCSA-N 3 2 302.466 2.006 10 0 DEAELP C[NH+](C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)C[C@]1(C)CC[NH2+]C1 ZINC000262093901 145260353 /nfs/dbraw/zinc/26/03/53/145260353.db2.gz UZWLPHOZBIFHKC-OKZBNKHCSA-N 3 2 302.466 2.006 10 0 DEAELP Clc1cccc(-c2noc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4C3)n2)c1 ZINC000262530545 145290729 /nfs/dbraw/zinc/29/07/29/145290729.db2.gz PMSVEHWEKXCGAY-STQMWFEESA-N 2 2 318.808 2.431 10 0 DEAELP Clc1cccc(-c2noc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4C3)n2)c1 ZINC000262530545 145290730 /nfs/dbraw/zinc/29/07/30/145290730.db2.gz PMSVEHWEKXCGAY-STQMWFEESA-N 2 2 318.808 2.431 10 0 DEAELP COCC[C@H](COC)[NH2+][C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000309701186 145350403 /nfs/dbraw/zinc/35/04/03/145350403.db2.gz GBQSNUJPEVSGRA-NXHRZFHOSA-N 2 2 306.450 2.291 10 0 DEAELP COCC[C@H](COC)[NH2+][C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000309701186 145350405 /nfs/dbraw/zinc/35/04/05/145350405.db2.gz GBQSNUJPEVSGRA-NXHRZFHOSA-N 2 2 306.450 2.291 10 0 DEAELP C[C@H](C[NH+](C)C)n1c2ccccc2nc1CC[NH+]1CCOCC1 ZINC000002016515 401711747 /nfs/dbraw/zinc/71/17/47/401711747.db2.gz OBDRWUGWIUTSIB-OAHLLOKOSA-N 2 2 316.449 2.034 10 0 DEAELP CC[C@H]1CN(c2cc(C)[nH+]c(C3CC3)n2)CC[N@@H+]1CCOC ZINC000116261039 401847270 /nfs/dbraw/zinc/84/72/70/401847270.db2.gz PTQTUTSTDIHBFK-HNNXBMFYSA-N 2 2 304.438 2.209 10 0 DEAELP CC[C@H]1CN(c2cc(C)[nH+]c(C3CC3)n2)CC[N@H+]1CCOC ZINC000116261039 401847272 /nfs/dbraw/zinc/84/72/72/401847272.db2.gz PTQTUTSTDIHBFK-HNNXBMFYSA-N 2 2 304.438 2.209 10 0 DEAELP CCc1cc(=O)[nH]c(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)n1 ZINC000119534550 401957375 /nfs/dbraw/zinc/95/73/75/401957375.db2.gz IPEDMSAYLWVAPU-CYBMUJFWSA-N 2 2 313.405 2.074 10 0 DEAELP CCc1cc(=O)[nH]c(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)n1 ZINC000119534550 401957377 /nfs/dbraw/zinc/95/73/77/401957377.db2.gz IPEDMSAYLWVAPU-CYBMUJFWSA-N 2 2 313.405 2.074 10 0 DEAELP C[C@@H]1C[C@@H]([NH+](C)CC(=O)NCCC2CCCCC2)CC[N@@H+]1C ZINC000123114277 402111394 /nfs/dbraw/zinc/11/13/94/402111394.db2.gz YEPYTIQMUNNQKD-WBVHZDCISA-N 2 2 309.498 2.488 10 0 DEAELP C[C@@H]1C[C@@H]([NH+](C)CC(=O)NCCC2CCCCC2)CC[N@H+]1C ZINC000123114277 402111395 /nfs/dbraw/zinc/11/13/95/402111395.db2.gz YEPYTIQMUNNQKD-WBVHZDCISA-N 2 2 309.498 2.488 10 0 DEAELP C[C@@H]1C[C@@H]([N@H+](C)CC(=O)NCCC2CCCCC2)CC[NH+]1C ZINC000123114277 402111398 /nfs/dbraw/zinc/11/13/98/402111398.db2.gz YEPYTIQMUNNQKD-WBVHZDCISA-N 2 2 309.498 2.488 10 0 DEAELP C[C@@H]1C[C@@H]([N@@H+](C)CC(=O)NCCC2CCCCC2)CC[NH+]1C ZINC000123114277 402111401 /nfs/dbraw/zinc/11/14/01/402111401.db2.gz YEPYTIQMUNNQKD-WBVHZDCISA-N 2 2 309.498 2.488 10 0 DEAELP C[C@@H]1C[C@H]([NH+](C)Cc2cccc(C(=O)N(C)C)c2)CC[N@@H+]1C ZINC000123116376 402111616 /nfs/dbraw/zinc/11/16/16/402111616.db2.gz XEOXULBCLNANRT-RHSMWYFYSA-N 2 2 303.450 2.303 10 0 DEAELP C[C@@H]1C[C@H]([NH+](C)Cc2cccc(C(=O)N(C)C)c2)CC[N@H+]1C ZINC000123116376 402111618 /nfs/dbraw/zinc/11/16/18/402111618.db2.gz XEOXULBCLNANRT-RHSMWYFYSA-N 2 2 303.450 2.303 10 0 DEAELP C[C@@H]1C[C@H]([N@H+](C)Cc2cccc(C(=O)N(C)C)c2)CC[NH+]1C ZINC000123116376 402111620 /nfs/dbraw/zinc/11/16/20/402111620.db2.gz XEOXULBCLNANRT-RHSMWYFYSA-N 2 2 303.450 2.303 10 0 DEAELP C[C@@H]1C[C@H]([N@@H+](C)Cc2cccc(C(=O)N(C)C)c2)CC[NH+]1C ZINC000123116376 402111623 /nfs/dbraw/zinc/11/16/23/402111623.db2.gz XEOXULBCLNANRT-RHSMWYFYSA-N 2 2 303.450 2.303 10 0 DEAELP Cc1nn(C)c2ncc(C[NH+](C)[C@H]3CC[N@H+](C)[C@H](C)C3)cc12 ZINC000123255443 402118355 /nfs/dbraw/zinc/11/83/55/402118355.db2.gz OWVMBOCFKDALQH-DOMZBBRYSA-N 2 2 301.438 2.191 10 0 DEAELP Cc1nn(C)c2ncc(C[NH+](C)[C@H]3CC[N@@H+](C)[C@H](C)C3)cc12 ZINC000123255443 402118356 /nfs/dbraw/zinc/11/83/56/402118356.db2.gz OWVMBOCFKDALQH-DOMZBBRYSA-N 2 2 301.438 2.191 10 0 DEAELP Cc1nn(C)c2ncc(C[N@@H+](C)[C@H]3CC[NH+](C)[C@H](C)C3)cc12 ZINC000123255443 402118357 /nfs/dbraw/zinc/11/83/57/402118357.db2.gz OWVMBOCFKDALQH-DOMZBBRYSA-N 2 2 301.438 2.191 10 0 DEAELP Cc1nn(C)c2ncc(C[N@H+](C)[C@H]3CC[NH+](C)[C@H](C)C3)cc12 ZINC000123255443 402118359 /nfs/dbraw/zinc/11/83/59/402118359.db2.gz OWVMBOCFKDALQH-DOMZBBRYSA-N 2 2 301.438 2.191 10 0 DEAELP Cc1ccccc1CCNC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123975410 402157699 /nfs/dbraw/zinc/15/76/99/402157699.db2.gz NTUCZGYIUSVMCH-SJLPKXTDSA-N 2 2 317.477 2.068 10 0 DEAELP Cc1ccccc1CCNC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123975410 402157705 /nfs/dbraw/zinc/15/77/05/402157705.db2.gz NTUCZGYIUSVMCH-SJLPKXTDSA-N 2 2 317.477 2.068 10 0 DEAELP Cc1ccccc1CCNC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123975410 402157710 /nfs/dbraw/zinc/15/77/10/402157710.db2.gz NTUCZGYIUSVMCH-SJLPKXTDSA-N 2 2 317.477 2.068 10 0 DEAELP Cc1ccccc1CCNC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123975410 402157714 /nfs/dbraw/zinc/15/77/14/402157714.db2.gz NTUCZGYIUSVMCH-SJLPKXTDSA-N 2 2 317.477 2.068 10 0 DEAELP CC[C@@H](C)[N@H+](C)CCNC(=O)NCc1[nH+]ccn1CC(C)C ZINC000176451739 402310722 /nfs/dbraw/zinc/31/07/22/402310722.db2.gz HZWCMPSOQMTARR-CQSZACIVSA-N 2 2 309.458 2.069 10 0 DEAELP CC[C@@H](C)[N@@H+](C)CCNC(=O)NCc1[nH+]ccn1CC(C)C ZINC000176451739 402310725 /nfs/dbraw/zinc/31/07/25/402310725.db2.gz HZWCMPSOQMTARR-CQSZACIVSA-N 2 2 309.458 2.069 10 0 DEAELP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(-c3cnn(C)c3)no2)C1 ZINC000185017261 402317533 /nfs/dbraw/zinc/31/75/33/402317533.db2.gz KMLNINQODOQVBH-CQSZACIVSA-N 2 2 317.437 2.239 10 0 DEAELP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(-c3cnn(C)c3)no2)C1 ZINC000185017261 402317535 /nfs/dbraw/zinc/31/75/35/402317535.db2.gz KMLNINQODOQVBH-CQSZACIVSA-N 2 2 317.437 2.239 10 0 DEAELP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(-c3cnn(C)c3)no2)C1 ZINC000185017261 402317537 /nfs/dbraw/zinc/31/75/37/402317537.db2.gz KMLNINQODOQVBH-CQSZACIVSA-N 2 2 317.437 2.239 10 0 DEAELP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(-c3cnn(C)c3)no2)C1 ZINC000185017261 402317538 /nfs/dbraw/zinc/31/75/38/402317538.db2.gz KMLNINQODOQVBH-CQSZACIVSA-N 2 2 317.437 2.239 10 0 DEAELP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)Cc1cn2ccccc2[nH+]1 ZINC000177178308 402378632 /nfs/dbraw/zinc/37/86/32/402378632.db2.gz UHYNYLDIBZUOCT-MRXNPFEDSA-N 2 2 323.400 2.073 10 0 DEAELP Cc1csc(C[N@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)n1 ZINC000162051155 402408113 /nfs/dbraw/zinc/40/81/13/402408113.db2.gz NGBWKJVRJFPIKG-OAHLLOKOSA-N 2 2 308.495 2.053 10 0 DEAELP Cc1csc(C[N@@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)n1 ZINC000162051155 402408115 /nfs/dbraw/zinc/40/81/15/402408115.db2.gz NGBWKJVRJFPIKG-OAHLLOKOSA-N 2 2 308.495 2.053 10 0 DEAELP c1ccc(N2CCC([NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)[nH+]c1 ZINC000161624542 402393473 /nfs/dbraw/zinc/39/34/73/402393473.db2.gz LXBSKBOZEKNDTA-IAGOWNOFSA-N 3 2 300.450 2.267 10 0 DEAELP c1ccc(N2CCC([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)[nH+]c1 ZINC000161624542 402393476 /nfs/dbraw/zinc/39/34/76/402393476.db2.gz LXBSKBOZEKNDTA-IAGOWNOFSA-N 3 2 300.450 2.267 10 0 DEAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2cccc(OC)c2)[C@@H](C)C1 ZINC000245412681 402457720 /nfs/dbraw/zinc/45/77/20/402457720.db2.gz AVDKHRUMLQZBEC-WMLDXEAASA-N 2 2 319.449 2.296 10 0 DEAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2cccc(OC)c2)[C@@H](C)C1 ZINC000245412681 402457723 /nfs/dbraw/zinc/45/77/23/402457723.db2.gz AVDKHRUMLQZBEC-WMLDXEAASA-N 2 2 319.449 2.296 10 0 DEAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2cccc(OC)c2)[C@@H](C)C1 ZINC000245412681 402457725 /nfs/dbraw/zinc/45/77/25/402457725.db2.gz AVDKHRUMLQZBEC-WMLDXEAASA-N 2 2 319.449 2.296 10 0 DEAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2cccc(OC)c2)[C@@H](C)C1 ZINC000245412681 402457728 /nfs/dbraw/zinc/45/77/28/402457728.db2.gz AVDKHRUMLQZBEC-WMLDXEAASA-N 2 2 319.449 2.296 10 0 DEAELP C[C@@H]1CCC[C@H](NC(=O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)[C@@H]1C ZINC000246933830 402549461 /nfs/dbraw/zinc/54/94/61/402549461.db2.gz QMEJWCWOFMCQQP-JJTUDDRGSA-N 2 2 309.498 2.342 10 0 DEAELP C[C@@H]1CCC[C@H](NC(=O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)[C@@H]1C ZINC000246933830 402549465 /nfs/dbraw/zinc/54/94/65/402549465.db2.gz QMEJWCWOFMCQQP-JJTUDDRGSA-N 2 2 309.498 2.342 10 0 DEAELP C[C@@H]1CCC[C@H](NC(=O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)[C@@H]1C ZINC000246933830 402549468 /nfs/dbraw/zinc/54/94/68/402549468.db2.gz QMEJWCWOFMCQQP-JJTUDDRGSA-N 2 2 309.498 2.342 10 0 DEAELP C[C@@H]1CCC[C@H](NC(=O)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)[C@@H]1C ZINC000246933830 402549470 /nfs/dbraw/zinc/54/94/70/402549470.db2.gz QMEJWCWOFMCQQP-JJTUDDRGSA-N 2 2 309.498 2.342 10 0 DEAELP COC(=O)c1coc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000171037664 402551459 /nfs/dbraw/zinc/55/14/59/402551459.db2.gz ADAHQJCTVRCNTQ-ZDUSSCGKSA-N 2 2 315.373 2.395 10 0 DEAELP COC(=O)c1coc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000171037664 402551460 /nfs/dbraw/zinc/55/14/60/402551460.db2.gz ADAHQJCTVRCNTQ-ZDUSSCGKSA-N 2 2 315.373 2.395 10 0 DEAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCc2ccc(OC)cc21 ZINC000247181559 402559315 /nfs/dbraw/zinc/55/93/15/402559315.db2.gz ZCWHNYZRYXCHGB-QAPCUYQASA-N 2 2 304.434 2.383 10 0 DEAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCc2ccc(OC)cc21 ZINC000247181559 402559318 /nfs/dbraw/zinc/55/93/18/402559318.db2.gz ZCWHNYZRYXCHGB-QAPCUYQASA-N 2 2 304.434 2.383 10 0 DEAELP CC(C)[N@@H+]1C[C@@H](C)[C@H]([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000246274687 402522540 /nfs/dbraw/zinc/52/25/40/402522540.db2.gz SEQKASPNFKEMHG-RBSFLKMASA-N 2 2 311.470 2.314 10 0 DEAELP CC(C)[N@H+]1C[C@@H](C)[C@H]([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000246274687 402522541 /nfs/dbraw/zinc/52/25/41/402522541.db2.gz SEQKASPNFKEMHG-RBSFLKMASA-N 2 2 311.470 2.314 10 0 DEAELP CCC[C@H](C(=O)NCCn1c(C)[nH+]c2ccccc21)[NH+](C)C ZINC000178662309 402522921 /nfs/dbraw/zinc/52/29/21/402522921.db2.gz PMDATYRNHPBLMR-MRXNPFEDSA-N 2 2 302.422 2.191 10 0 DEAELP C[C@H]1C[N@@H+](C2CCN(Cc3cccc4[nH+]ccn43)CC2)CCO1 ZINC000179784910 402600354 /nfs/dbraw/zinc/60/03/54/402600354.db2.gz PJRPPEQSAMUHRI-HNNXBMFYSA-N 2 2 314.433 2.019 10 0 DEAELP C[C@H]1C[N@H+](C2CCN(Cc3cccc4[nH+]ccn43)CC2)CCO1 ZINC000179784910 402600357 /nfs/dbraw/zinc/60/03/57/402600357.db2.gz PJRPPEQSAMUHRI-HNNXBMFYSA-N 2 2 314.433 2.019 10 0 DEAELP CCn1cc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)cn1 ZINC000190475998 402604026 /nfs/dbraw/zinc/60/40/26/402604026.db2.gz MPCSRLRWPFFCKJ-QGZVFWFLSA-N 2 2 313.449 2.252 10 0 DEAELP CCn1cc(C[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)cn1 ZINC000190475998 402604027 /nfs/dbraw/zinc/60/40/27/402604027.db2.gz MPCSRLRWPFFCKJ-QGZVFWFLSA-N 2 2 313.449 2.252 10 0 DEAELP CCn1cc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)cn1 ZINC000190475998 402604033 /nfs/dbraw/zinc/60/40/33/402604033.db2.gz MPCSRLRWPFFCKJ-QGZVFWFLSA-N 2 2 313.449 2.252 10 0 DEAELP Cc1cccc(NC[C@H]2CC[N@@H+](CC(=O)c3cccn3C)C2)[nH+]1 ZINC000171651203 402605546 /nfs/dbraw/zinc/60/55/46/402605546.db2.gz IRTYPRQDGVSCLU-OAHLLOKOSA-N 2 2 312.417 2.345 10 0 DEAELP Cc1cccc(NC[C@H]2CC[N@H+](CC(=O)c3cccn3C)C2)[nH+]1 ZINC000171651203 402605547 /nfs/dbraw/zinc/60/55/47/402605547.db2.gz IRTYPRQDGVSCLU-OAHLLOKOSA-N 2 2 312.417 2.345 10 0 DEAELP CC(C)(C)n1cc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)nn1 ZINC000191304635 402659591 /nfs/dbraw/zinc/65/95/91/402659591.db2.gz OABUFWJHOCEEEF-CQSZACIVSA-N 2 2 314.437 2.362 10 0 DEAELP CC(C)(C)n1cc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)nn1 ZINC000191304635 402659598 /nfs/dbraw/zinc/65/95/98/402659598.db2.gz OABUFWJHOCEEEF-CQSZACIVSA-N 2 2 314.437 2.362 10 0 DEAELP C[C@H](CCNC(=O)[C@H]1CCCn2cc[nH+]c21)[NH+]1CCCCC1 ZINC000183130625 402741586 /nfs/dbraw/zinc/74/15/86/402741586.db2.gz ZIPOSDBWQJGDIR-CABCVRRESA-N 2 2 304.438 2.141 10 0 DEAELP O[C@H](C[NH2+]Cc1cnc(-c2ccco2)s1)C[NH+]1CCCCC1 ZINC000193037070 402761253 /nfs/dbraw/zinc/76/12/53/402761253.db2.gz GYDUJDNXWMLWME-CYBMUJFWSA-N 2 2 321.446 2.340 10 0 DEAELP Cc1[nH+]c2ccccc2n1CCNC(=O)c1c[nH+]ccc1N(C)C ZINC000183477679 402770845 /nfs/dbraw/zinc/77/08/45/402770845.db2.gz CFZHINZICULNNQ-UHFFFAOYSA-N 2 2 323.400 2.236 10 0 DEAELP CC(=O)c1ccccc1OCC[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292189084 403316076 /nfs/dbraw/zinc/31/60/76/403316076.db2.gz RDPKAJIKJQNBAK-SFHVURJKSA-N 2 2 302.418 2.296 10 0 DEAELP CC(=O)c1ccccc1OCC[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292189084 403316078 /nfs/dbraw/zinc/31/60/78/403316078.db2.gz RDPKAJIKJQNBAK-SFHVURJKSA-N 2 2 302.418 2.296 10 0 DEAELP CC(=O)c1ccccc1OCC[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292189084 403316080 /nfs/dbraw/zinc/31/60/80/403316080.db2.gz RDPKAJIKJQNBAK-SFHVURJKSA-N 2 2 302.418 2.296 10 0 DEAELP CC(=O)c1ccccc1OCC[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292189084 403316082 /nfs/dbraw/zinc/31/60/82/403316082.db2.gz RDPKAJIKJQNBAK-SFHVURJKSA-N 2 2 302.418 2.296 10 0 DEAELP Clc1ccc2c(NC[C@@H]3C[NH+]4CCN3CC4)cc[nH+]c2c1 ZINC000301789171 403679934 /nfs/dbraw/zinc/67/99/34/403679934.db2.gz QPAQRINYAOCEOI-CYBMUJFWSA-N 2 2 302.809 2.300 10 0 DEAELP Cc1cn2cc(NC(=O)N3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)ccc2[nH+]1 ZINC000333168442 403684079 /nfs/dbraw/zinc/68/40/79/403684079.db2.gz PHDVLZRKBOKQAE-CFVMTHIKSA-N 2 2 313.405 2.234 10 0 DEAELP C[C@@H]1CCCN(c2cc(N3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)nc[nH+]2)C1 ZINC000333576941 403783765 /nfs/dbraw/zinc/78/37/65/403783765.db2.gz SUWFPVDGEMJAQA-QXSJWSMHSA-N 2 2 315.465 2.277 10 0 DEAELP C[C@@H]1CCCN(c2cc(N3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)[nH+]cn2)C1 ZINC000333576941 403783772 /nfs/dbraw/zinc/78/37/72/403783772.db2.gz SUWFPVDGEMJAQA-QXSJWSMHSA-N 2 2 315.465 2.277 10 0 DEAELP COc1ccc(C[NH2+][C@H]2C[N@H+](C)C[C@H]2C)cc1Br ZINC000343915956 403790215 /nfs/dbraw/zinc/79/02/15/403790215.db2.gz OWZBPGCPDSUNOY-MFKMUULPSA-N 2 2 313.239 2.497 10 0 DEAELP COc1ccc(C[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)cc1Br ZINC000343915956 403790217 /nfs/dbraw/zinc/79/02/17/403790217.db2.gz OWZBPGCPDSUNOY-MFKMUULPSA-N 2 2 313.239 2.497 10 0 DEAELP [NH3+][C@H]1CCCO[C@H]1C1CCN(c2cc[nH+]c(C3CC3)n2)CC1 ZINC000333647546 403803394 /nfs/dbraw/zinc/80/33/94/403803394.db2.gz JHAFMDCCIBCCRP-HOCLYGCPSA-N 2 2 302.422 2.077 10 0 DEAELP CN(C)c1[nH+]cc(C[N@@H+](C[C@@H]2CCCO2)C2CCCC2)n1C ZINC000425333120 405274842 /nfs/dbraw/zinc/27/48/42/405274842.db2.gz FIDBDYSNKSCVQD-INIZCTEOSA-N 2 2 306.454 2.410 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@H](C)[NH+]1CCCC1)C2 ZINC000530473586 405809466 /nfs/dbraw/zinc/80/94/66/405809466.db2.gz AXBHURISBZQFAC-UONOGXRCSA-N 2 2 318.465 2.239 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@H](C)[NH+]1CCCC1)CC2 ZINC000530473586 405809470 /nfs/dbraw/zinc/80/94/70/405809470.db2.gz AXBHURISBZQFAC-UONOGXRCSA-N 2 2 318.465 2.239 10 0 DEAELP c1c2c(cc3c1OCCC[C@H]3[NH2+]C[C@H]1C[NH2+]CCO1)CCCC2 ZINC000423531129 405846041 /nfs/dbraw/zinc/84/60/41/405846041.db2.gz XOYDROQNQXJOHJ-SJLPKXTDSA-N 2 2 316.445 2.357 10 0 DEAELP CO[C@]1(C[NH2+]C[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)CCOC1 ZINC000639072787 405862101 /nfs/dbraw/zinc/86/21/01/405862101.db2.gz ZTGVQJDRJGVFDV-MOPGFXCFSA-N 2 2 318.461 2.436 10 0 DEAELP CO[C@]1(C[NH2+]C[C@@]2(C)CCC[N@H+]2Cc2ccccc2)CCOC1 ZINC000639072787 405862108 /nfs/dbraw/zinc/86/21/08/405862108.db2.gz ZTGVQJDRJGVFDV-MOPGFXCFSA-N 2 2 318.461 2.436 10 0 DEAELP c1cc(OCC[NH+]2CCOCC2)ccc1C[N@@H+]1CC[C@H]1C1CC1 ZINC000639223483 405985548 /nfs/dbraw/zinc/98/55/48/405985548.db2.gz VPYDGKXCKSUAHF-IBGZPJMESA-N 2 2 316.445 2.382 10 0 DEAELP c1cc(OCC[NH+]2CCOCC2)ccc1C[N@H+]1CC[C@H]1C1CC1 ZINC000639223483 405985554 /nfs/dbraw/zinc/98/55/54/405985554.db2.gz VPYDGKXCKSUAHF-IBGZPJMESA-N 2 2 316.445 2.382 10 0 DEAELP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnnn2Cc2ccccc2)C1 ZINC000490793398 406493407 /nfs/dbraw/zinc/49/34/07/406493407.db2.gz GXIGEXJGQBRTDC-KRWDZBQOSA-N 2 2 313.449 2.148 10 0 DEAELP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cnnn2Cc2ccccc2)C1 ZINC000490793398 406493413 /nfs/dbraw/zinc/49/34/13/406493413.db2.gz GXIGEXJGQBRTDC-KRWDZBQOSA-N 2 2 313.449 2.148 10 0 DEAELP C[N@H+](CC[C@H]1COCC[NH2+]1)Cc1csc(Br)c1 ZINC000129417663 196046410 /nfs/dbraw/zinc/04/64/10/196046410.db2.gz LMSNIAJKXRVNEC-NSHDSACASA-N 2 2 319.268 2.321 10 0 DEAELP C[N@@H+](CC[C@H]1COCC[NH2+]1)Cc1csc(Br)c1 ZINC000129417663 196046412 /nfs/dbraw/zinc/04/64/12/196046412.db2.gz LMSNIAJKXRVNEC-NSHDSACASA-N 2 2 319.268 2.321 10 0 DEAELP c1[nH+]cn2cc(C[NH2+]C3CC[NH+](Cc4ccccn4)CC3)ccc12 ZINC000297461782 227196257 /nfs/dbraw/zinc/19/62/57/227196257.db2.gz IDRFIXUPBWFBEP-UHFFFAOYSA-N 3 2 321.428 2.484 10 0 DEAELP c1ccc([C@@H]2CC[C@H](C[NH2+][C@H](C3CC3)[C@@H]3C[NH2+]CCO3)O2)cc1 ZINC000423119716 230356286 /nfs/dbraw/zinc/35/62/86/230356286.db2.gz DINSVBQGIDZOLM-YDZRNGNQSA-N 2 2 316.445 2.263 10 0 DEAELP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1cccc(Br)c1 ZINC000310733490 424895385 /nfs/dbraw/zinc/89/53/85/424895385.db2.gz FOMWXYLMADTYLK-RISCZKNCSA-N 2 2 315.255 2.412 10 0 DEAELP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1cccc(Br)c1 ZINC000310733490 424895388 /nfs/dbraw/zinc/89/53/88/424895388.db2.gz FOMWXYLMADTYLK-RISCZKNCSA-N 2 2 315.255 2.412 10 0 DEAELP C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000154511053 279247812 /nfs/dbraw/zinc/24/78/12/279247812.db2.gz JFYHTGGJAULTEK-NEPJUHHUSA-N 2 2 310.829 2.136 10 0 DEAELP C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000154511053 279247814 /nfs/dbraw/zinc/24/78/14/279247814.db2.gz JFYHTGGJAULTEK-NEPJUHHUSA-N 2 2 310.829 2.136 10 0 DEAELP CCOC[C@@H](O)C[NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000398045861 337305057 /nfs/dbraw/zinc/30/50/57/337305057.db2.gz BQECGONGEKTQDJ-ZWKOTPCHSA-N 2 2 306.450 2.028 10 0 DEAELP CCOC[C@@H](O)C[NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000398045861 337305058 /nfs/dbraw/zinc/30/50/58/337305058.db2.gz BQECGONGEKTQDJ-ZWKOTPCHSA-N 2 2 306.450 2.028 10 0 DEAELP CCS(=O)(=O)CCCCC[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000249072820 535617573 /nfs/dbraw/zinc/61/75/73/535617573.db2.gz LEVGCPGNXIHVDX-GJZGRUSLSA-N 2 2 304.500 2.006 10 0 DEAELP CCS(=O)(=O)CCCCC[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000249072820 535617575 /nfs/dbraw/zinc/61/75/75/535617575.db2.gz LEVGCPGNXIHVDX-GJZGRUSLSA-N 2 2 304.500 2.006 10 0 DEAELP CCS(=O)(=O)CCCCC[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000249072820 535617580 /nfs/dbraw/zinc/61/75/80/535617580.db2.gz LEVGCPGNXIHVDX-GJZGRUSLSA-N 2 2 304.500 2.006 10 0 DEAELP CCS(=O)(=O)CCCCC[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000249072820 535617584 /nfs/dbraw/zinc/61/75/84/535617584.db2.gz LEVGCPGNXIHVDX-GJZGRUSLSA-N 2 2 304.500 2.006 10 0 DEAELP COCCCCC[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105915806 523106879 /nfs/dbraw/zinc/10/68/79/523106879.db2.gz VNOVMHVATDBAGN-UHFFFAOYSA-N 2 2 308.470 2.096 10 0 DEAELP COCCCCC[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105915806 523106888 /nfs/dbraw/zinc/10/68/88/523106888.db2.gz VNOVMHVATDBAGN-UHFFFAOYSA-N 2 2 308.470 2.096 10 0 DEAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cc(OC)ccc1OC ZINC000163285780 523829431 /nfs/dbraw/zinc/82/94/31/523829431.db2.gz ASLBYFRMGWWBBW-HUUCEWRRSA-N 2 2 322.449 2.465 10 0 DEAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cc(OC)ccc1OC ZINC000163285780 523829438 /nfs/dbraw/zinc/82/94/38/523829438.db2.gz ASLBYFRMGWWBBW-HUUCEWRRSA-N 2 2 322.449 2.465 10 0 DEAELP CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261652077 536096913 /nfs/dbraw/zinc/09/69/13/536096913.db2.gz HMQSZEBEHSZWCN-HZPDHXFCSA-N 2 2 319.449 2.472 10 0 DEAELP CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261652077 536096918 /nfs/dbraw/zinc/09/69/18/536096918.db2.gz HMQSZEBEHSZWCN-HZPDHXFCSA-N 2 2 319.449 2.472 10 0 DEAELP COc1cc(C[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)cc2c1OCCO2 ZINC000261783701 536770073 /nfs/dbraw/zinc/77/00/73/536770073.db2.gz UGBZVATUTQHASJ-HNNXBMFYSA-N 2 2 306.406 2.026 10 0 DEAELP COc1cc(C[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)cc2c1OCCO2 ZINC000261783701 536770078 /nfs/dbraw/zinc/77/00/78/536770078.db2.gz UGBZVATUTQHASJ-HNNXBMFYSA-N 2 2 306.406 2.026 10 0 DEAELP C[C@@H]1CCCN(C(=O)/C=C\c2ccc(-n3cc[nH+]c3)cc2)[C@H]1C[NH3+] ZINC000255128193 623555842 /nfs/dbraw/zinc/55/58/42/623555842.db2.gz DBTAKGQLCQBMBU-XUCFMKDRSA-N 2 2 324.428 2.471 10 0 DEAELP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc2c(c1)CCO2 ZINC000178518695 635161107 /nfs/dbraw/zinc/16/11/07/635161107.db2.gz MDINVPGACXPEBD-PBHICJAKSA-N 2 2 304.434 2.119 10 0 DEAELP C[C@@]1(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CC[NH2+]C1 ZINC000262033352 637057939 /nfs/dbraw/zinc/05/79/39/637057939.db2.gz OGGWFLLRUZPKRC-MAUKXSAKSA-N 3 2 302.466 2.398 10 0 DEAELP C[C@@]1(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CC[NH2+]C1 ZINC000262033352 637057943 /nfs/dbraw/zinc/05/79/43/637057943.db2.gz OGGWFLLRUZPKRC-MAUKXSAKSA-N 3 2 302.466 2.398 10 0 DEAELP C[C@@]1(CN2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CC[NH2+]C1 ZINC000262033352 637057946 /nfs/dbraw/zinc/05/79/46/637057946.db2.gz OGGWFLLRUZPKRC-MAUKXSAKSA-N 2 2 302.466 2.398 10 0 DEAELP C[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cscn3)C2)ccn1 ZINC000886056914 691994362 /nfs/dbraw/zinc/99/43/62/691994362.db2.gz QLGXMQXFWPNVCV-MRXNPFEDSA-N 2 2 318.446 2.253 10 0 DEAELP C[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cscn3)C2)ccn1 ZINC000886056914 691994364 /nfs/dbraw/zinc/99/43/64/691994364.db2.gz QLGXMQXFWPNVCV-MRXNPFEDSA-N 2 2 318.446 2.253 10 0 DEAELP C[C@H]([NH2+][C@H]1C[C@@H](O)[C@@H]1n1cccn1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000886096746 692002853 /nfs/dbraw/zinc/00/28/53/692002853.db2.gz CDJOSIQDHGWRBG-VIBAHUMZSA-N 2 2 323.400 2.094 10 0 DEAELP C[C@@H]([NH2+][C@H]1C[C@@H](O)[C@@H]1n1cccn1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000886096745 692002916 /nfs/dbraw/zinc/00/29/16/692002916.db2.gz CDJOSIQDHGWRBG-BVPBIZIASA-N 2 2 323.400 2.094 10 0 DEAELP C[C@H](C[NH2+][C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C12CCC2)[NH+](C)C ZINC000405259809 802046118 /nfs/dbraw/zinc/04/61/18/802046118.db2.gz MOQRENLTRCPJEV-MGPQQGTHSA-N 2 2 311.470 2.362 10 0 DEAELP CC(C)[NH2+][C@@](CO)(C[N@@H+]1CCC[C@H](C(F)(F)F)C1)C1CC1 ZINC000088439611 185250655 /nfs/dbraw/zinc/25/06/55/185250655.db2.gz HCIOKSDPKYGUMT-UONOGXRCSA-N 2 2 308.388 2.400 10 0 DEAELP CC(C)[NH2+][C@@](CO)(C[N@H+]1CCC[C@H](C(F)(F)F)C1)C1CC1 ZINC000088439611 185250656 /nfs/dbraw/zinc/25/06/56/185250656.db2.gz HCIOKSDPKYGUMT-UONOGXRCSA-N 2 2 308.388 2.400 10 0 DEAELP CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2C[N@@H+]1Cc1cn2cc(Cl)ccc2n1 ZINC000090332589 185291563 /nfs/dbraw/zinc/29/15/63/185291563.db2.gz PAISCCPHHWUXFD-KCPJHIHWSA-N 2 2 304.825 2.418 10 0 DEAELP CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2C[N@H+]1Cc1cn2cc(Cl)ccc2n1 ZINC000090332589 185291564 /nfs/dbraw/zinc/29/15/64/185291564.db2.gz PAISCCPHHWUXFD-KCPJHIHWSA-N 2 2 304.825 2.418 10 0 DEAELP COc1cc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cc2c1OCO2 ZINC000188415146 539682525 /nfs/dbraw/zinc/68/25/25/539682525.db2.gz IRMPPCCTXDCQMQ-CQSZACIVSA-N 2 2 315.373 2.285 10 0 DEAELP CC[C@H]([NH3+])[C@@H](c1ccc(Cl)cc1)[N@H+](CCO)CCOC ZINC000164208032 186151731 /nfs/dbraw/zinc/15/17/31/186151731.db2.gz OYHWDFADXLVBNN-LSDHHAIUSA-N 2 2 300.830 2.059 10 0 DEAELP CC[C@H]([NH3+])[C@@H](c1ccc(Cl)cc1)[N@@H+](CCO)CCOC ZINC000164208032 186151733 /nfs/dbraw/zinc/15/17/33/186151733.db2.gz OYHWDFADXLVBNN-LSDHHAIUSA-N 2 2 300.830 2.059 10 0 DEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(Cl)cn2)[C@H](C)C1 ZINC000174777615 198383586 /nfs/dbraw/zinc/38/35/86/198383586.db2.gz QWFYDNYFEIEEFF-OCCSQVGLSA-N 2 2 324.856 2.336 10 0 DEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(Cl)cn2)[C@H](C)C1 ZINC000174777615 198383588 /nfs/dbraw/zinc/38/35/88/198383588.db2.gz QWFYDNYFEIEEFF-OCCSQVGLSA-N 2 2 324.856 2.336 10 0 DEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2ccc(Cl)cn2)[C@H](C)C1 ZINC000174777615 198383589 /nfs/dbraw/zinc/38/35/89/198383589.db2.gz QWFYDNYFEIEEFF-OCCSQVGLSA-N 2 2 324.856 2.336 10 0 DEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc(Cl)cn2)[C@H](C)C1 ZINC000174777615 198383591 /nfs/dbraw/zinc/38/35/91/198383591.db2.gz QWFYDNYFEIEEFF-OCCSQVGLSA-N 2 2 324.856 2.336 10 0 DEAELP CNc1cc(N2CCC[C@@H]2C[NH2+]C2CCC(OC)CC2)nc[nH+]1 ZINC000183150907 356161768 /nfs/dbraw/zinc/16/17/68/356161768.db2.gz SZBXNMOVGHRWNU-SHARSMKWSA-N 2 2 319.453 2.034 10 0 DEAELP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000400808102 283159050 /nfs/dbraw/zinc/15/90/50/283159050.db2.gz WZXRKPQNJFPJFP-QLFBSQMISA-N 2 2 311.470 2.458 10 0 DEAELP C[C@@H]([NH2+]CCc1cn(C)c[nH+]1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400796203 283158631 /nfs/dbraw/zinc/15/86/31/283158631.db2.gz SWMJRLLBHYGGRD-KGLIPLIRSA-N 2 2 322.453 2.198 10 0 DEAELP CC[N@H+]1CC[C@H]([NH2+][C@H](C)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000400808102 283159054 /nfs/dbraw/zinc/15/90/54/283159054.db2.gz WZXRKPQNJFPJFP-QLFBSQMISA-N 2 2 311.470 2.458 10 0 DEAELP OCC[NH+]1CCC([NH2+]Cc2ccc(Br)s2)CC1 ZINC000399241504 356721910 /nfs/dbraw/zinc/72/19/10/356721910.db2.gz UIVYFLSZKYAIQH-UHFFFAOYSA-N 2 2 319.268 2.057 10 0 DEAELP CCN(C)C(=O)CC[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180670787 199194106 /nfs/dbraw/zinc/19/41/06/199194106.db2.gz TXTWGPCCQXFNGD-CQSZACIVSA-N 2 2 300.406 2.391 10 0 DEAELP C[NH2+][C@@H](CCCS(C)(=O)=O)C1([NH+](C)C)CCCCCC1 ZINC000091654554 193084694 /nfs/dbraw/zinc/08/46/94/193084694.db2.gz PFVRUJKLEGDARW-AWEZNQCLSA-N 2 2 304.500 2.054 10 0 DEAELP C[NH2+][C@H](Cc1ccc(Cl)s1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721163 193096977 /nfs/dbraw/zinc/09/69/77/193096977.db2.gz NTKUFFUYFLOIMP-RAIGVLPGSA-N 2 2 300.855 2.395 10 0 DEAELP C[NH2+][C@H](Cc1ccc(Cl)s1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721163 193096979 /nfs/dbraw/zinc/09/69/79/193096979.db2.gz NTKUFFUYFLOIMP-RAIGVLPGSA-N 2 2 300.855 2.395 10 0 DEAELP C[NH2+][C@H](Cc1cc(OC)ccc1Br)C[NH+](C)C ZINC000091719669 193097216 /nfs/dbraw/zinc/09/72/16/193097216.db2.gz TVRKMAWAEVQDNP-LLVKDONJSA-N 2 2 301.228 2.150 10 0 DEAELP CC(=O)c1ccc(NC(=O)CC[N@@H+]2CCCCC[C@@H]([NH3+])C2)cc1 ZINC000631832954 368410521 /nfs/dbraw/zinc/41/05/21/368410521.db2.gz QAKSEYHKVMKIOV-MRXNPFEDSA-N 2 2 317.433 2.421 10 0 DEAELP CC(=O)c1ccc(NC(=O)CC[N@H+]2CCCCC[C@@H]([NH3+])C2)cc1 ZINC000631832954 368410530 /nfs/dbraw/zinc/41/05/30/368410530.db2.gz QAKSEYHKVMKIOV-MRXNPFEDSA-N 2 2 317.433 2.421 10 0 DEAELP c1ccc(-c2noc(CC[N@@H+]3CCC[C@@H]4C[NH2+]CC[C@@H]43)n2)cc1 ZINC000631886118 368442422 /nfs/dbraw/zinc/44/24/22/368442422.db2.gz FXIXDTLOETZCDI-CVEARBPZSA-N 2 2 312.417 2.353 10 0 DEAELP c1ccc(-c2noc(CC[N@H+]3CCC[C@@H]4C[NH2+]CC[C@@H]43)n2)cc1 ZINC000631886118 368442429 /nfs/dbraw/zinc/44/24/29/368442429.db2.gz FXIXDTLOETZCDI-CVEARBPZSA-N 2 2 312.417 2.353 10 0 DEAELP CCN(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631888458 368445479 /nfs/dbraw/zinc/44/54/79/368445479.db2.gz ZNBJMRKBLQSZCH-MSOLQXFVSA-N 2 2 315.461 2.109 10 0 DEAELP CCN(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631888458 368445485 /nfs/dbraw/zinc/44/54/85/368445485.db2.gz ZNBJMRKBLQSZCH-MSOLQXFVSA-N 2 2 315.461 2.109 10 0 DEAELP CC[C@@H](CC[NH3+])[NH+]1CCN(c2ncc(Cl)cc2F)CC1 ZINC000094051889 193341730 /nfs/dbraw/zinc/34/17/30/193341730.db2.gz BGIPVGHSTNRDLY-LBPRGKRZSA-N 2 2 300.809 2.124 10 0 DEAELP C[NH2+][C@H](Cc1ccc(Cl)c(Cl)c1)[C@@H]1C[NH+]2CCN1CC2 ZINC000094509390 193375301 /nfs/dbraw/zinc/37/53/01/193375301.db2.gz CXPYPOPWBXYJAV-CABCVRRESA-N 2 2 314.260 2.124 10 0 DEAELP CC[C@@H]([NH3+])[C@H](c1ccc(Br)cc1)[N@H+](C)CCO ZINC000042953981 183321172 /nfs/dbraw/zinc/32/11/72/183321172.db2.gz VQEDCVSNWVNRAF-OLZOCXBDSA-N 2 2 301.228 2.152 10 0 DEAELP CC[C@@H]([NH3+])[C@H](c1ccc(Br)cc1)[N@@H+](C)CCO ZINC000042953981 183321175 /nfs/dbraw/zinc/32/11/75/183321175.db2.gz VQEDCVSNWVNRAF-OLZOCXBDSA-N 2 2 301.228 2.152 10 0 DEAELP C[C@@H]([NH3+])[C@@H](c1cccc(Br)c1)[N@H+](CCO)C1CC1 ZINC000043021726 183329519 /nfs/dbraw/zinc/32/95/19/183329519.db2.gz WUYLHAGOIDCMBY-YGRLFVJLSA-N 2 2 313.239 2.294 10 0 DEAELP C[C@@H]([NH3+])[C@@H](c1cccc(Br)c1)[N@@H+](CCO)C1CC1 ZINC000043021726 183329520 /nfs/dbraw/zinc/32/95/20/183329520.db2.gz WUYLHAGOIDCMBY-YGRLFVJLSA-N 2 2 313.239 2.294 10 0 DEAELP CC[C@H]([NH3+])[C@H](c1sccc1C)[N@@H+]1CCCN(C(C)=O)CC1 ZINC000043248984 183347226 /nfs/dbraw/zinc/34/72/26/183347226.db2.gz FBBPWCASFJCEBX-LSDHHAIUSA-N 2 2 309.479 2.389 10 0 DEAELP CC[C@H]([NH3+])[C@H](c1sccc1C)[N@H+]1CCCN(C(C)=O)CC1 ZINC000043248984 183347227 /nfs/dbraw/zinc/34/72/27/183347227.db2.gz FBBPWCASFJCEBX-LSDHHAIUSA-N 2 2 309.479 2.389 10 0 DEAELP C[NH2+]Cc1ccc(C[NH+]2CCN(CC(F)(F)F)CC2)cc1 ZINC000061948326 184198088 /nfs/dbraw/zinc/19/80/88/184198088.db2.gz CYIDONHWFJSJNX-UHFFFAOYSA-N 2 2 301.356 2.086 10 0 DEAELP C[C@@H](NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)C(C)(C)C[NH+](C)C ZINC000443675209 533116859 /nfs/dbraw/zinc/11/68/59/533116859.db2.gz QVYDMQKRSYJNJX-CYBMUJFWSA-N 2 2 321.469 2.275 10 0 DEAELP CC[N@H+](CCCNC(=O)N(C)CCC[NH+](C)C)c1ccccc1 ZINC000541796975 285186064 /nfs/dbraw/zinc/18/60/64/285186064.db2.gz PNYQQNDYOCEHIH-UHFFFAOYSA-N 2 2 320.481 2.496 10 0 DEAELP CC[N@@H+](CCCNC(=O)N(C)CCC[NH+](C)C)c1ccccc1 ZINC000541796975 285186068 /nfs/dbraw/zinc/18/60/68/285186068.db2.gz PNYQQNDYOCEHIH-UHFFFAOYSA-N 2 2 320.481 2.496 10 0 DEAELP CCC[C@@H](C(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1)[NH+](C)C ZINC000157013825 197155506 /nfs/dbraw/zinc/15/55/06/197155506.db2.gz DKSDEJMPGZTMJW-HNNXBMFYSA-N 2 2 306.454 2.159 10 0 DEAELP Cc1c[nH+]ccc1NC(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1 ZINC000120738705 132150118 /nfs/dbraw/zinc/15/01/18/132150118.db2.gz FALDJZVHUAAGDC-OAHLLOKOSA-N 2 2 320.437 2.258 10 0 DEAELP Cn1c2ccc(NC(=O)[C@H]3C[C@H](F)C[NH2+]3)cc2[nH+]c1C1CC1 ZINC000188983855 145020602 /nfs/dbraw/zinc/02/06/02/145020602.db2.gz BLXZZKBUZBQKST-GXFFZTMASA-N 2 2 302.353 2.089 10 0 DEAELP CN(C)C(=O)Sc1ccc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1 ZINC000193623836 145087803 /nfs/dbraw/zinc/08/78/03/145087803.db2.gz JVAMASXWAXZMLD-GASCZTMLSA-N 2 2 319.474 2.454 10 0 DEAELP CN(C)C(=O)Sc1ccc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1 ZINC000193623836 145087805 /nfs/dbraw/zinc/08/78/05/145087805.db2.gz JVAMASXWAXZMLD-GASCZTMLSA-N 2 2 319.474 2.454 10 0 DEAELP CN(C)C(=O)Sc1ccc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cc1 ZINC000193623836 145087807 /nfs/dbraw/zinc/08/78/07/145087807.db2.gz JVAMASXWAXZMLD-GASCZTMLSA-N 2 2 319.474 2.454 10 0 DEAELP CN(C)C(=O)Sc1ccc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cc1 ZINC000193623836 145087809 /nfs/dbraw/zinc/08/78/09/145087809.db2.gz JVAMASXWAXZMLD-GASCZTMLSA-N 2 2 319.474 2.454 10 0 DEAELP C[N@H+]1C[C@@H]2C[NH+](C[C@H]3CC(c4ccc(Cl)cc4)=NO3)C[C@@H]2C1 ZINC000193646323 145088877 /nfs/dbraw/zinc/08/88/77/145088877.db2.gz XRCSGOIMYRQGGQ-IJEWVQPXSA-N 2 2 319.836 2.326 10 0 DEAELP C[N@@H+]1C[C@@H]2C[NH+](C[C@H]3CC(c4ccc(Cl)cc4)=NO3)C[C@@H]2C1 ZINC000193646323 145088879 /nfs/dbraw/zinc/08/88/79/145088879.db2.gz XRCSGOIMYRQGGQ-IJEWVQPXSA-N 2 2 319.836 2.326 10 0 DEAELP C[NH+]1C[C@@H]2C[N@@H+](C[C@H]3CC(c4ccc(Cl)cc4)=NO3)C[C@@H]2C1 ZINC000193646323 145088881 /nfs/dbraw/zinc/08/88/81/145088881.db2.gz XRCSGOIMYRQGGQ-IJEWVQPXSA-N 2 2 319.836 2.326 10 0 DEAELP C[NH+]1C[C@@H]2C[N@H+](C[C@H]3CC(c4ccc(Cl)cc4)=NO3)C[C@@H]2C1 ZINC000193646323 145088882 /nfs/dbraw/zinc/08/88/82/145088882.db2.gz XRCSGOIMYRQGGQ-IJEWVQPXSA-N 2 2 319.836 2.326 10 0 DEAELP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cn1 ZINC000247130700 145126886 /nfs/dbraw/zinc/12/68/86/145126886.db2.gz RRZPMXBFGSTBGZ-JKIFEVAISA-N 3 2 313.449 2.394 10 0 DEAELP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cn1 ZINC000247130700 145126888 /nfs/dbraw/zinc/12/68/88/145126888.db2.gz RRZPMXBFGSTBGZ-JKIFEVAISA-N 3 2 313.449 2.394 10 0 DEAELP Cc1nccn1-c1ccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cn1 ZINC000247130700 145126890 /nfs/dbraw/zinc/12/68/90/145126890.db2.gz RRZPMXBFGSTBGZ-JKIFEVAISA-N 2 2 313.449 2.394 10 0 DEAELP Cc1nccn1-c1ccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cn1 ZINC000247130700 145126892 /nfs/dbraw/zinc/12/68/92/145126892.db2.gz RRZPMXBFGSTBGZ-JKIFEVAISA-N 2 2 313.449 2.394 10 0 DEAELP CN(Cc1cccs1)C(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247949330 145145951 /nfs/dbraw/zinc/14/59/51/145145951.db2.gz DWVJLXBLMVCVCH-GOEBONIOSA-N 2 2 321.490 2.123 10 0 DEAELP CN(Cc1cccs1)C(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247949330 145145953 /nfs/dbraw/zinc/14/59/53/145145953.db2.gz DWVJLXBLMVCVCH-GOEBONIOSA-N 2 2 321.490 2.123 10 0 DEAELP CN(Cc1cccs1)C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247949330 145145954 /nfs/dbraw/zinc/14/59/54/145145954.db2.gz DWVJLXBLMVCVCH-GOEBONIOSA-N 2 2 321.490 2.123 10 0 DEAELP CN(Cc1cccs1)C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247949330 145145956 /nfs/dbraw/zinc/14/59/56/145145956.db2.gz DWVJLXBLMVCVCH-GOEBONIOSA-N 2 2 321.490 2.123 10 0 DEAELP Cc1cccc(NC(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000248060559 145147525 /nfs/dbraw/zinc/14/75/25/145147525.db2.gz LUMXEHYMHHMIAJ-RDJZCZTQSA-N 2 2 301.434 2.350 10 0 DEAELP Cc1cccc(NC(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000248060559 145147527 /nfs/dbraw/zinc/14/75/27/145147527.db2.gz LUMXEHYMHHMIAJ-RDJZCZTQSA-N 2 2 301.434 2.350 10 0 DEAELP Cc1cccc(NC(=O)C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000248060559 145147529 /nfs/dbraw/zinc/14/75/29/145147529.db2.gz LUMXEHYMHHMIAJ-RDJZCZTQSA-N 2 2 301.434 2.350 10 0 DEAELP Cc1cccc(NC(=O)C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000248060559 145147531 /nfs/dbraw/zinc/14/75/31/145147531.db2.gz LUMXEHYMHHMIAJ-RDJZCZTQSA-N 2 2 301.434 2.350 10 0 DEAELP C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)CC[C@H]21 ZINC000248157391 145149639 /nfs/dbraw/zinc/14/96/39/145149639.db2.gz ROELVPRHCMNBLZ-FUHWJXTLSA-N 2 2 324.428 2.429 10 0 DEAELP C[N@H+]1CCC[C@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)CC[C@H]21 ZINC000248157391 145149641 /nfs/dbraw/zinc/14/96/41/145149641.db2.gz ROELVPRHCMNBLZ-FUHWJXTLSA-N 2 2 324.428 2.429 10 0 DEAELP CC(C)[C@@H]1C[C@H]1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000249380020 145183320 /nfs/dbraw/zinc/18/33/20/145183320.db2.gz ZRVFMCHDZIMIKI-VQTPCSAVSA-N 2 2 319.493 2.048 10 0 DEAELP CC(C)[C@@H]1C[C@H]1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000249380020 145183321 /nfs/dbraw/zinc/18/33/21/145183321.db2.gz ZRVFMCHDZIMIKI-VQTPCSAVSA-N 2 2 319.493 2.048 10 0 DEAELP COc1cc(OC)c(OC)cc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261645978 145212862 /nfs/dbraw/zinc/21/28/62/145212862.db2.gz DSRFKCIDWWWJHI-YIONKMFJSA-N 2 2 320.433 2.427 10 0 DEAELP COc1cc(OC)c(OC)cc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261645978 145212864 /nfs/dbraw/zinc/21/28/64/145212864.db2.gz DSRFKCIDWWWJHI-YIONKMFJSA-N 2 2 320.433 2.427 10 0 DEAELP Cc1ccccc1CN(C)C(=O)[C@H](C)[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261724457 145220989 /nfs/dbraw/zinc/22/09/89/145220989.db2.gz NSSWPXIAGKAMIP-DOTOQJQBSA-N 2 2 317.477 2.401 10 0 DEAELP Cc1ccccc1CN(C)C(=O)[C@H](C)[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261724457 145220990 /nfs/dbraw/zinc/22/09/90/145220990.db2.gz NSSWPXIAGKAMIP-DOTOQJQBSA-N 2 2 317.477 2.401 10 0 DEAELP COc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(OC)c1OC ZINC000261810717 145229313 /nfs/dbraw/zinc/22/93/13/145229313.db2.gz VSZRYUBVMKZRQM-YIONKMFJSA-N 2 2 320.433 2.427 10 0 DEAELP COc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(OC)c1OC ZINC000261810717 145229315 /nfs/dbraw/zinc/22/93/15/145229315.db2.gz VSZRYUBVMKZRQM-YIONKMFJSA-N 2 2 320.433 2.427 10 0 DEAELP C[C@@H](C(=O)N1CCc2ccccc21)[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261850167 145233050 /nfs/dbraw/zinc/23/30/50/145233050.db2.gz RLGWEPXXEYJIMH-BBRMVZONSA-N 2 2 301.434 2.023 10 0 DEAELP C[C@@H](C(=O)N1CCc2ccccc21)[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261850167 145233052 /nfs/dbraw/zinc/23/30/52/145233052.db2.gz RLGWEPXXEYJIMH-BBRMVZONSA-N 2 2 301.434 2.023 10 0 DEAELP c1sc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)nc1C1CC1 ZINC000261995503 145251504 /nfs/dbraw/zinc/25/15/04/145251504.db2.gz TZCUMPKSJBHTDZ-MCIONIFRSA-N 2 2 307.463 2.267 10 0 DEAELP CSc1cc2c(cc1C[N@@H+]1CC[C@]3(CC[NH2+]C3)C1)OCCO2 ZINC000262097122 145261279 /nfs/dbraw/zinc/26/12/79/145261279.db2.gz VHPMVCIXUNQXEN-KRWDZBQOSA-N 2 2 320.458 2.365 10 0 DEAELP CSc1cc2c(cc1C[N@H+]1CC[C@]3(CC[NH2+]C3)C1)OCCO2 ZINC000262097122 145261281 /nfs/dbraw/zinc/26/12/81/145261281.db2.gz VHPMVCIXUNQXEN-KRWDZBQOSA-N 2 2 320.458 2.365 10 0 DEAELP [NH3+]Cc1nc(C[NH+]2CCC(Cc3ccccc3F)CC2)no1 ZINC000262140065 145265567 /nfs/dbraw/zinc/26/55/67/145265567.db2.gz DVGZNAIBDZJWTE-UHFFFAOYSA-N 2 2 304.369 2.122 10 0 DEAELP C[C@H](NC(=O)[C@H]1CC[NH2+][C@@H](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000262317922 145276034 /nfs/dbraw/zinc/27/60/34/145276034.db2.gz BVZMATCFHPYXTC-DZKIICNBSA-N 2 2 312.417 2.438 10 0 DEAELP CC(C)Oc1ccc([C@H](CNC2=[NH+]CCCN2)[NH+](C)C)cc1 ZINC000262319207 145276260 /nfs/dbraw/zinc/27/62/60/145276260.db2.gz QLVKMOIWZXZTQL-INIZCTEOSA-N 2 2 304.438 2.015 10 0 DEAELP Clc1cccc(-c2noc(C[N@@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)n2)c1 ZINC000262530541 145290629 /nfs/dbraw/zinc/29/06/29/145290629.db2.gz PMSVEHWEKXCGAY-OLZOCXBDSA-N 2 2 318.808 2.431 10 0 DEAELP Clc1cccc(-c2noc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)n2)c1 ZINC000262530541 145290631 /nfs/dbraw/zinc/29/06/31/145290631.db2.gz PMSVEHWEKXCGAY-OLZOCXBDSA-N 2 2 318.808 2.431 10 0 DEAELP CCc1ccc(C[NH2+]C[C@@H]2CCCN2c2cc(NC)[nH+]cn2)o1 ZINC000133038299 401878226 /nfs/dbraw/zinc/87/82/26/401878226.db2.gz JKQBDXUWSTVBQY-ZDUSSCGKSA-N 2 2 315.421 2.432 10 0 DEAELP C(C[NH+]1CCCC1)C[N@@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000152293251 402087451 /nfs/dbraw/zinc/08/74/51/402087451.db2.gz FGASJPKLQBSNFB-OAHLLOKOSA-N 2 2 303.454 2.347 10 0 DEAELP C(C[NH+]1CCCC1)C[N@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000152293251 402087454 /nfs/dbraw/zinc/08/74/54/402087454.db2.gz FGASJPKLQBSNFB-OAHLLOKOSA-N 2 2 303.454 2.347 10 0 DEAELP O=C1NCCCC[C@H]1[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000153482963 402148182 /nfs/dbraw/zinc/14/81/82/402148182.db2.gz YVYUKYYQUIOUEB-IAGOWNOFSA-N 2 2 307.482 2.243 10 0 DEAELP O=C1NCCCC[C@H]1[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000153482963 402148183 /nfs/dbraw/zinc/14/81/83/402148183.db2.gz YVYUKYYQUIOUEB-IAGOWNOFSA-N 2 2 307.482 2.243 10 0 DEAELP O=C(c1cccs1)N1CCC[N@H+](CCC[NH+]2CCCC2)CC1 ZINC000153705770 402164186 /nfs/dbraw/zinc/16/41/86/402164186.db2.gz JFNQGHVUGFXMCZ-UHFFFAOYSA-N 2 2 321.490 2.382 10 0 DEAELP O=C(c1cccs1)N1CCC[N@@H+](CCC[NH+]2CCCC2)CC1 ZINC000153705770 402164189 /nfs/dbraw/zinc/16/41/89/402164189.db2.gz JFNQGHVUGFXMCZ-UHFFFAOYSA-N 2 2 321.490 2.382 10 0 DEAELP CCCCCNC(=O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000105922797 402211612 /nfs/dbraw/zinc/21/16/12/402211612.db2.gz LKHOKCZIGWNZSO-HNNXBMFYSA-N 2 2 306.454 2.389 10 0 DEAELP CCCCCNC(=O)C[N@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000105922797 402211615 /nfs/dbraw/zinc/21/16/15/402211615.db2.gz LKHOKCZIGWNZSO-HNNXBMFYSA-N 2 2 306.454 2.389 10 0 DEAELP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1cnn(C)c1 ZINC000126207719 402269763 /nfs/dbraw/zinc/26/97/63/402269763.db2.gz RSDLQTYKSGQBSR-VKJFTORMSA-N 2 2 313.449 2.376 10 0 DEAELP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1cnn(C)c1 ZINC000126207719 402269765 /nfs/dbraw/zinc/26/97/65/402269765.db2.gz RSDLQTYKSGQBSR-VKJFTORMSA-N 2 2 313.449 2.376 10 0 DEAELP c1cnn(CC2CC[NH+](Cc3ccc(-n4cc[nH+]c4)nc3)CC2)c1 ZINC000177139256 402374285 /nfs/dbraw/zinc/37/42/85/402374285.db2.gz MEPLSRGKCDWASH-UHFFFAOYSA-N 2 2 322.416 2.376 10 0 DEAELP CCO[C@H]1C[C@@H]([NH2+]CC[NH+]2CCCCCC2)C12CCOCC2 ZINC000186226460 402413286 /nfs/dbraw/zinc/41/32/86/402413286.db2.gz AKSVURWGJZTNNH-SJORKVTESA-N 2 2 310.482 2.426 10 0 DEAELP c1ccc(N2CCC([NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)[nH+]c1 ZINC000161624651 402393805 /nfs/dbraw/zinc/39/38/05/402393805.db2.gz LXBSKBOZEKNDTA-DLBZAZTESA-N 3 2 300.450 2.267 10 0 DEAELP c1ccc(N2CCC([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)[nH+]c1 ZINC000161624651 402393807 /nfs/dbraw/zinc/39/38/07/402393807.db2.gz LXBSKBOZEKNDTA-DLBZAZTESA-N 3 2 300.450 2.267 10 0 DEAELP CCC(C)(C)NC(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247057480 402555765 /nfs/dbraw/zinc/55/57/65/402555765.db2.gz ZOTXLGHWNPFLES-HOCLYGCPSA-N 2 2 307.482 2.240 10 0 DEAELP CCC(C)(C)NC(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247057480 402555767 /nfs/dbraw/zinc/55/57/67/402555767.db2.gz ZOTXLGHWNPFLES-HOCLYGCPSA-N 2 2 307.482 2.240 10 0 DEAELP CCC(C)(C)NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000247057480 402555768 /nfs/dbraw/zinc/55/57/68/402555768.db2.gz ZOTXLGHWNPFLES-HOCLYGCPSA-N 2 2 307.482 2.240 10 0 DEAELP CCC(C)(C)NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000247057480 402555770 /nfs/dbraw/zinc/55/57/70/402555770.db2.gz ZOTXLGHWNPFLES-HOCLYGCPSA-N 2 2 307.482 2.240 10 0 DEAELP C[C@H](C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)CS(C)(=O)=O ZINC000189914551 402566942 /nfs/dbraw/zinc/56/69/42/402566942.db2.gz PYGWVYFCSWMAGP-ZIAGYGMSSA-N 2 2 321.446 2.204 10 0 DEAELP C[C@@H]1C[N@@H+](C2CCN(Cc3cccc4[nH+]ccn43)CC2)CCO1 ZINC000179784893 402600416 /nfs/dbraw/zinc/60/04/16/402600416.db2.gz PJRPPEQSAMUHRI-OAHLLOKOSA-N 2 2 314.433 2.019 10 0 DEAELP C[C@@H]1C[N@H+](C2CCN(Cc3cccc4[nH+]ccn43)CC2)CCO1 ZINC000179784893 402600418 /nfs/dbraw/zinc/60/04/18/402600418.db2.gz PJRPPEQSAMUHRI-OAHLLOKOSA-N 2 2 314.433 2.019 10 0 DEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@H](O)COCC(C)C)C1 ZINC000171625445 402602811 /nfs/dbraw/zinc/60/28/11/402602811.db2.gz SMZJJSCAKJAMIB-HOTGVXAUSA-N 2 2 309.454 2.116 10 0 DEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@H](O)COCC(C)C)C1 ZINC000171625445 402602813 /nfs/dbraw/zinc/60/28/13/402602813.db2.gz SMZJJSCAKJAMIB-HOTGVXAUSA-N 2 2 309.454 2.116 10 0 DEAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCc2c(cccc2OC)C1 ZINC000249085310 402620129 /nfs/dbraw/zinc/62/01/29/402620129.db2.gz SFBONCFMPNAUQR-DLBZAZTESA-N 2 2 318.461 2.253 10 0 DEAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCc2c(cccc2OC)C1 ZINC000249085310 402620131 /nfs/dbraw/zinc/62/01/31/402620131.db2.gz SFBONCFMPNAUQR-DLBZAZTESA-N 2 2 318.461 2.253 10 0 DEAELP CC(C)n1cc[nH+]c1CN1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000171933563 402634273 /nfs/dbraw/zinc/63/42/73/402634273.db2.gz LHFBJAWJAZMPIO-QGZVFWFLSA-N 2 2 319.497 2.066 10 0 DEAELP CC(C)n1cc[nH+]c1CN1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000171933563 402634275 /nfs/dbraw/zinc/63/42/75/402634275.db2.gz LHFBJAWJAZMPIO-QGZVFWFLSA-N 2 2 319.497 2.066 10 0 DEAELP CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000172473266 402657930 /nfs/dbraw/zinc/65/79/30/402657930.db2.gz RFHTZFIQPXHFOJ-LSDHHAIUSA-N 2 2 323.481 2.460 10 0 DEAELP CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+][C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000172473266 402657933 /nfs/dbraw/zinc/65/79/33/402657933.db2.gz RFHTZFIQPXHFOJ-LSDHHAIUSA-N 2 2 323.481 2.460 10 0 DEAELP CCC(CC)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000172752717 402673828 /nfs/dbraw/zinc/67/38/28/402673828.db2.gz YYVMSISFHXOYJK-UHFFFAOYSA-N 2 2 309.498 2.489 10 0 DEAELP Cc1cn2cc(NC(=O)N3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)ccc2[nH+]1 ZINC000333168441 403684273 /nfs/dbraw/zinc/68/42/73/403684273.db2.gz PHDVLZRKBOKQAE-AEGPPILISA-N 2 2 313.405 2.234 10 0 DEAELP O=C(Nc1ccn2cc[nH+]c2c1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000333255880 403707835 /nfs/dbraw/zinc/70/78/35/403707835.db2.gz DFZBYGILAQIJPK-OAHLLOKOSA-N 2 2 313.405 2.330 10 0 DEAELP C(C[NH+]1CCO[C@@H](C2CCC2)C1)C[N@@H+]1CCO[C@@H](C2CCC2)C1 ZINC000411846680 403990969 /nfs/dbraw/zinc/99/09/69/403990969.db2.gz LWVGOQBOUVHEQM-RTBURBONSA-N 2 2 322.493 2.378 10 0 DEAELP C(C[NH+]1CCO[C@@H](C2CCC2)C1)C[N@H+]1CCO[C@@H](C2CCC2)C1 ZINC000411846680 403990974 /nfs/dbraw/zinc/99/09/74/403990974.db2.gz LWVGOQBOUVHEQM-RTBURBONSA-N 2 2 322.493 2.378 10 0 DEAELP CC(C)CNC(=O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000364739638 404523598 /nfs/dbraw/zinc/52/35/98/404523598.db2.gz ABYKXFKURMORRG-KRWDZBQOSA-N 2 2 309.498 2.347 10 0 DEAELP CC(C)CNC(=O)C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000364739638 404523603 /nfs/dbraw/zinc/52/36/03/404523603.db2.gz ABYKXFKURMORRG-KRWDZBQOSA-N 2 2 309.498 2.347 10 0 DEAELP Cc1scc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1C ZINC000378401709 404953201 /nfs/dbraw/zinc/95/32/01/404953201.db2.gz KRBAYNRFLDJSPU-AWEZNQCLSA-N 2 2 321.490 2.263 10 0 DEAELP Cc1scc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1C ZINC000378401709 404953204 /nfs/dbraw/zinc/95/32/04/404953204.db2.gz KRBAYNRFLDJSPU-AWEZNQCLSA-N 2 2 321.490 2.263 10 0 DEAELP COC[C@@H](CCC[NH3+])[NH2+]C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000379655278 405027507 /nfs/dbraw/zinc/02/75/07/405027507.db2.gz LFEJVBXZGBRSBE-RTBURBONSA-N 3 2 319.493 2.385 10 0 DEAELP COC[C@@H](CCC[NH3+])[NH2+]C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000379655278 405027509 /nfs/dbraw/zinc/02/75/09/405027509.db2.gz LFEJVBXZGBRSBE-RTBURBONSA-N 3 2 319.493 2.385 10 0 DEAELP C[C@H]([NH2+]CCc1cn(C)c[nH+]1)c1cncc(Br)c1 ZINC000577627586 405483920 /nfs/dbraw/zinc/48/39/20/405483920.db2.gz BJWHGQRFUDKNEO-JTQLQIEISA-N 2 2 309.211 2.471 10 0 DEAELP COc1ccc(C[C@H](C)[NH2+][C@H]2CCC[N@H+](CCCO)C2)cc1 ZINC000449396892 405546132 /nfs/dbraw/zinc/54/61/32/405546132.db2.gz NCRUBDVLKZLPQC-RDJZCZTQSA-N 2 2 306.450 2.063 10 0 DEAELP COc1ccc(C[C@H](C)[NH2+][C@H]2CCC[N@@H+](CCCO)C2)cc1 ZINC000449396892 405546139 /nfs/dbraw/zinc/54/61/39/405546139.db2.gz NCRUBDVLKZLPQC-RDJZCZTQSA-N 2 2 306.450 2.063 10 0 DEAELP c1cncc(C[NH2+]CCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000423184432 405713887 /nfs/dbraw/zinc/71/38/87/405713887.db2.gz IBUDWGCMUHWMKK-CEXWTWQISA-N 3 2 316.493 2.462 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@@H](C)[NH+]1CCCC1)C2 ZINC000530473585 405809441 /nfs/dbraw/zinc/80/94/41/405809441.db2.gz AXBHURISBZQFAC-KGLIPLIRSA-N 2 2 318.465 2.239 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@@H](C)[NH+]1CCCC1)CC2 ZINC000530473585 405809446 /nfs/dbraw/zinc/80/94/46/405809446.db2.gz AXBHURISBZQFAC-KGLIPLIRSA-N 2 2 318.465 2.239 10 0 DEAELP Brc1ccc2c(c1)C[C@@H]1[C@H]2[C@H]1[NH2+][C@@H]1CCC[NH2+]C1 ZINC000635001201 406393457 /nfs/dbraw/zinc/39/34/57/406393457.db2.gz KDWKGRDXQTZAHZ-RZFFKMDDSA-N 2 2 307.235 2.429 10 0 DEAELP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000570502118 406401682 /nfs/dbraw/zinc/40/16/82/406401682.db2.gz SZBNTAUCNYMYMQ-GOSISDBHSA-N 2 2 324.428 2.174 10 0 DEAELP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)[C@H]1CCC[N@H+]1C1CC1 ZINC000570502118 406401686 /nfs/dbraw/zinc/40/16/86/406401686.db2.gz SZBNTAUCNYMYMQ-GOSISDBHSA-N 2 2 324.428 2.174 10 0 DEAELP c1cc(C[NH+]2CCC([NH2+]CC[C@H]3CCCOC3)CC2)ccn1 ZINC000527925225 406789412 /nfs/dbraw/zinc/78/94/12/406789412.db2.gz IKDPPNKJMXUXKC-QGZVFWFLSA-N 2 2 303.450 2.452 10 0 DEAELP C[N@H+](CC[C@@H]1COCC[NH2+]1)Cc1ccccc1Br ZINC000129402667 196044871 /nfs/dbraw/zinc/04/48/71/196044871.db2.gz SLRJYOXSMGLHDX-CYBMUJFWSA-N 2 2 313.239 2.259 10 0 DEAELP C[N@@H+](CC[C@@H]1COCC[NH2+]1)Cc1ccccc1Br ZINC000129402667 196044873 /nfs/dbraw/zinc/04/48/73/196044873.db2.gz SLRJYOXSMGLHDX-CYBMUJFWSA-N 2 2 313.239 2.259 10 0 DEAELP Brc1cccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000131090904 196138780 /nfs/dbraw/zinc/13/87/80/196138780.db2.gz MZNJIHYQQROEGZ-NSHDSACASA-N 2 2 310.239 2.418 10 0 DEAELP Brc1cccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)n1 ZINC000131090904 196138782 /nfs/dbraw/zinc/13/87/82/196138782.db2.gz MZNJIHYQQROEGZ-NSHDSACASA-N 2 2 310.239 2.418 10 0 DEAELP CNc1nc(NC[C@@H]2CCCC[N@@H+]2C)c(Br)c[nH+]1 ZINC000131965954 196214297 /nfs/dbraw/zinc/21/42/97/196214297.db2.gz UMLBDXVAIFVCBT-VIFPVBQESA-N 2 2 314.231 2.177 10 0 DEAELP CNc1nc(NC[C@@H]2CCCC[N@H+]2C)c(Br)c[nH+]1 ZINC000131965954 196214299 /nfs/dbraw/zinc/21/42/99/196214299.db2.gz UMLBDXVAIFVCBT-VIFPVBQESA-N 2 2 314.231 2.177 10 0 DEAELP Cn1cc(CCC[N@@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)cn1 ZINC000299740427 229375543 /nfs/dbraw/zinc/37/55/43/229375543.db2.gz ZRHLKGSRXNEKRU-MRXNPFEDSA-N 2 2 313.449 2.375 10 0 DEAELP Cn1cc(CCC[N@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)cn1 ZINC000299740427 229375549 /nfs/dbraw/zinc/37/55/49/229375549.db2.gz ZRHLKGSRXNEKRU-MRXNPFEDSA-N 2 2 313.449 2.375 10 0 DEAELP C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261879759 279214677 /nfs/dbraw/zinc/21/46/77/279214677.db2.gz UNJDDYCWUJWGQG-VBQJREDUSA-N 2 2 315.461 2.412 10 0 DEAELP C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261879759 279214681 /nfs/dbraw/zinc/21/46/81/279214681.db2.gz UNJDDYCWUJWGQG-VBQJREDUSA-N 2 2 315.461 2.412 10 0 DEAELP c1ccc(COCCCC[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1 ZINC000422841484 534490171 /nfs/dbraw/zinc/49/01/71/534490171.db2.gz VYJUMELBNBLQRT-RTBURBONSA-N 2 2 318.461 2.340 10 0 DEAELP CC1(C)OCC[C@@H]1[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000294384139 527802847 /nfs/dbraw/zinc/80/28/47/527802847.db2.gz RNQDRNOERYQYAX-MSOLQXFVSA-N 2 2 318.461 2.435 10 0 DEAELP CC1(C)OCC[C@@H]1[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000294384139 527802855 /nfs/dbraw/zinc/80/28/55/527802855.db2.gz RNQDRNOERYQYAX-MSOLQXFVSA-N 2 2 318.461 2.435 10 0 DEAELP CC(C)N1CCC[C@@H]([N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)C1=O ZINC000248358601 535166518 /nfs/dbraw/zinc/16/65/18/535166518.db2.gz QYUYOEQUDYMLHW-JKSUJKDBSA-N 2 2 316.449 2.215 10 0 DEAELP CC(C)N1CCC[C@@H]([N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)C1=O ZINC000248358601 535166524 /nfs/dbraw/zinc/16/65/24/535166524.db2.gz QYUYOEQUDYMLHW-JKSUJKDBSA-N 2 2 316.449 2.215 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CC[NH+](C(C)C)CC1)C2 ZINC000373569692 535382806 /nfs/dbraw/zinc/38/28/06/535382806.db2.gz TXNKZZIGABULPD-CQSZACIVSA-N 2 2 318.465 2.191 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CC[NH+](C(C)C)CC1)CC2 ZINC000373569692 535382807 /nfs/dbraw/zinc/38/28/07/535382807.db2.gz TXNKZZIGABULPD-CQSZACIVSA-N 2 2 318.465 2.191 10 0 DEAELP Cc1cc(C)cc([C@@H](O)C[NH+]2CCC([N@H+](C)CCCO)CC2)c1 ZINC000173754512 646778112 /nfs/dbraw/zinc/77/81/12/646778112.db2.gz NIAWMTKIKZNXRZ-IBGZPJMESA-N 2 2 320.477 2.115 10 0 DEAELP Cc1cc(C)cc([C@@H](O)C[NH+]2CCC([N@@H+](C)CCCO)CC2)c1 ZINC000173754512 646778115 /nfs/dbraw/zinc/77/81/15/646778115.db2.gz NIAWMTKIKZNXRZ-IBGZPJMESA-N 2 2 320.477 2.115 10 0 DEAELP C[C@@H]1OC[C@H]([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)[C@@H]1C ZINC000405565026 802072328 /nfs/dbraw/zinc/07/23/28/802072328.db2.gz VBDYLLQEPHKUMY-NEPXVJNWSA-N 2 2 318.461 2.291 10 0 DEAELP C[C@@H]1OC[C@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)[C@@H]1C ZINC000405565026 802072337 /nfs/dbraw/zinc/07/23/37/802072337.db2.gz VBDYLLQEPHKUMY-NEPXVJNWSA-N 2 2 318.461 2.291 10 0 DEAELP Cc1[nH+]ccn1CC[NH+]1CCN(Cc2ccc(F)cc2)CC1 ZINC000077121648 185110300 /nfs/dbraw/zinc/11/03/00/185110300.db2.gz PVNIJCLBNQISNO-UHFFFAOYSA-N 2 2 302.397 2.148 10 0 DEAELP Cc1[nH+]ccn1CCN1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000077121648 185110301 /nfs/dbraw/zinc/11/03/01/185110301.db2.gz PVNIJCLBNQISNO-UHFFFAOYSA-N 2 2 302.397 2.148 10 0 DEAELP C[C@H](CCCO)[NH2+][C@@H](C[NH3+])c1ccc(Br)s1 ZINC000087359076 185222590 /nfs/dbraw/zinc/22/25/90/185222590.db2.gz QHXZNZJRJOIJFA-BDAKNGLRSA-N 2 2 307.257 2.261 10 0 DEAELP CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2C[N@@H+]1CC(=O)Nc1ccc(Cl)cc1 ZINC000090332837 185291500 /nfs/dbraw/zinc/29/15/00/185291500.db2.gz RMAIFPBPYNUMBX-BYCMXARLSA-N 2 2 307.825 2.208 10 0 DEAELP CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2C[N@H+]1CC(=O)Nc1ccc(Cl)cc1 ZINC000090332837 185291501 /nfs/dbraw/zinc/29/15/01/185291501.db2.gz RMAIFPBPYNUMBX-BYCMXARLSA-N 2 2 307.825 2.208 10 0 DEAELP CC[N@@H+]1CCC[C@H]1CN(C)c1[nH+]c(C)cc(C)c1C(N)=S ZINC000092632009 185330452 /nfs/dbraw/zinc/33/04/52/185330452.db2.gz JSMOWRMYBVUYPD-ZDUSSCGKSA-N 2 2 306.479 2.253 10 0 DEAELP CC[N@H+]1CCC[C@H]1CN(C)c1[nH+]c(C)cc(C)c1C(N)=S ZINC000092632009 185330453 /nfs/dbraw/zinc/33/04/53/185330453.db2.gz JSMOWRMYBVUYPD-ZDUSSCGKSA-N 2 2 306.479 2.253 10 0 DEAELP Cn1cc([C@H]2[C@H](C[N@H+](C)Cc3cccnc3)CCC[NH+]2C)cn1 ZINC000328622627 530006425 /nfs/dbraw/zinc/00/64/25/530006425.db2.gz BKFMGPLUNCPOFW-FUHWJXTLSA-N 2 2 313.449 2.330 10 0 DEAELP Cn1cc([C@H]2[C@H](C[N@@H+](C)Cc3cccnc3)CCC[NH+]2C)cn1 ZINC000328622627 530006426 /nfs/dbraw/zinc/00/64/26/530006426.db2.gz BKFMGPLUNCPOFW-FUHWJXTLSA-N 2 2 313.449 2.330 10 0 DEAELP Cn1cc([C@H]2[C@H](C[NH+](C)Cc3cccnc3)CCC[N@@H+]2C)cn1 ZINC000328622627 530006428 /nfs/dbraw/zinc/00/64/28/530006428.db2.gz BKFMGPLUNCPOFW-FUHWJXTLSA-N 2 2 313.449 2.330 10 0 DEAELP Cn1cc([C@H]2[C@H](C[NH+](C)Cc3cccnc3)CCC[N@H+]2C)cn1 ZINC000328622627 530006429 /nfs/dbraw/zinc/00/64/29/530006429.db2.gz BKFMGPLUNCPOFW-FUHWJXTLSA-N 2 2 313.449 2.330 10 0 DEAELP Brc1cc2c(cc1C[NH2+]CCc1[nH]cc[nH+]1)OCO2 ZINC000139197333 186021117 /nfs/dbraw/zinc/02/11/17/186021117.db2.gz XXAUXQAWYMAGRK-UHFFFAOYSA-N 2 2 324.178 2.233 10 0 DEAELP CC[C@H]([NH3+])[C@@H](c1cccc(Cl)c1)[N@H+](CCO)CCOC ZINC000164222773 186152971 /nfs/dbraw/zinc/15/29/71/186152971.db2.gz OTFKTWJKSOCZBE-LSDHHAIUSA-N 2 2 300.830 2.059 10 0 DEAELP CC[C@H]([NH3+])[C@@H](c1cccc(Cl)c1)[N@@H+](CCO)CCOC ZINC000164222773 186152973 /nfs/dbraw/zinc/15/29/73/186152973.db2.gz OTFKTWJKSOCZBE-LSDHHAIUSA-N 2 2 300.830 2.059 10 0 DEAELP C[C@H]([NH2+]Cc1nnc(C2CC2)n1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185666362 356208936 /nfs/dbraw/zinc/20/89/36/356208936.db2.gz DOXZFJZSXGAHNZ-DZGCQCFKSA-N 2 2 317.481 2.435 10 0 DEAELP C[C@H]([NH2+]Cc1nnc(C2CC2)n1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185666362 356208940 /nfs/dbraw/zinc/20/89/40/356208940.db2.gz DOXZFJZSXGAHNZ-DZGCQCFKSA-N 2 2 317.481 2.435 10 0 DEAELP CC(C)c1nc(N2CCO[C@@H](C[N@H+](C)CC3CC3)C2)cc[nH+]1 ZINC000328621153 356461600 /nfs/dbraw/zinc/46/16/00/356461600.db2.gz AIMZQCPAHSROST-HNNXBMFYSA-N 2 2 304.438 2.147 10 0 DEAELP CC(C)c1nc(N2CCO[C@@H](C[N@@H+](C)CC3CC3)C2)cc[nH+]1 ZINC000328621153 356461603 /nfs/dbraw/zinc/46/16/03/356461603.db2.gz AIMZQCPAHSROST-HNNXBMFYSA-N 2 2 304.438 2.147 10 0 DEAELP c1cc(CNC[C@@H]2CC[N@@H+]2C2CCCC2)n(-c2cc[nH+]cc2)n1 ZINC000623729274 365152486 /nfs/dbraw/zinc/15/24/86/365152486.db2.gz WTCRHNHSUQJNRF-KRWDZBQOSA-N 2 2 311.433 2.374 10 0 DEAELP c1cc(CNC[C@@H]2CC[N@H+]2C2CCCC2)n(-c2cc[nH+]cc2)n1 ZINC000623729274 365152488 /nfs/dbraw/zinc/15/24/88/365152488.db2.gz WTCRHNHSUQJNRF-KRWDZBQOSA-N 2 2 311.433 2.374 10 0 DEAELP CC[NH2+][C@H](CCCS(=O)(=O)CC)C(CC)(CC)[NH+](C)C ZINC000091614624 193079897 /nfs/dbraw/zinc/07/98/97/193079897.db2.gz CCRPZRUDTSYPCQ-CQSZACIVSA-N 2 2 306.516 2.300 10 0 DEAELP CCC[NH2+][C@H](Cc1csc(C)n1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091722231 193096648 /nfs/dbraw/zinc/09/66/48/193096648.db2.gz KXGTXGNFQIWATI-BZUAXINKSA-N 2 2 309.479 2.225 10 0 DEAELP CCC[NH2+][C@H](Cc1csc(C)n1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091722231 193096650 /nfs/dbraw/zinc/09/66/50/193096650.db2.gz KXGTXGNFQIWATI-BZUAXINKSA-N 2 2 309.479 2.225 10 0 DEAELP C[NH2+][C@H](Cc1ccc(Cl)s1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721161 193097116 /nfs/dbraw/zinc/09/71/16/193097116.db2.gz NTKUFFUYFLOIMP-RTXFEEFZSA-N 2 2 300.855 2.395 10 0 DEAELP C[NH2+][C@H](Cc1ccc(Cl)s1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721161 193097118 /nfs/dbraw/zinc/09/71/18/193097118.db2.gz NTKUFFUYFLOIMP-RTXFEEFZSA-N 2 2 300.855 2.395 10 0 DEAELP c1cc(OCC[NH+]2CCOCC2)ccc1C[NH2+][C@H]1CC12CC2 ZINC000631164198 368055460 /nfs/dbraw/zinc/05/54/60/368055460.db2.gz YUFDQLJPQKQUHR-KRWDZBQOSA-N 2 2 302.418 2.040 10 0 DEAELP [NH3+][C@H]1C=C[C@@H](C(=O)Nc2cccc(Cl)c2-n2cc[nH+]c2)C1 ZINC000092202401 193172967 /nfs/dbraw/zinc/17/29/67/193172967.db2.gz PQENOCWYAPSSQF-MNOVXSKESA-N 2 2 302.765 2.368 10 0 DEAELP C[NH2+][C@@H](Cc1cc(Cl)ccc1Cl)[C@H]1C[N@H+](C)CCN1C ZINC000093894557 193325672 /nfs/dbraw/zinc/32/56/72/193325672.db2.gz RSHWNBYEFZRBDZ-LSDHHAIUSA-N 2 2 316.276 2.370 10 0 DEAELP C[NH2+][C@@H](Cc1cc(Cl)ccc1Cl)[C@H]1C[N@@H+](C)CCN1C ZINC000093894557 193325673 /nfs/dbraw/zinc/32/56/73/193325673.db2.gz RSHWNBYEFZRBDZ-LSDHHAIUSA-N 2 2 316.276 2.370 10 0 DEAELP CCC[NH2+][C@H](Cc1csc(C)n1)[C@H]1C[N@H+](CCC)CCO1 ZINC000093921242 193328937 /nfs/dbraw/zinc/32/89/37/193328937.db2.gz QWIMKUVXBSQAIT-HZPDHXFCSA-N 2 2 311.495 2.473 10 0 DEAELP CCC[NH2+][C@H](Cc1csc(C)n1)[C@H]1C[N@@H+](CCC)CCO1 ZINC000093921242 193328938 /nfs/dbraw/zinc/32/89/38/193328938.db2.gz QWIMKUVXBSQAIT-HZPDHXFCSA-N 2 2 311.495 2.473 10 0 DEAELP C[C@@H]1C[C@](C[NH3+])([NH+]2CCN(c3ccc(F)cc3)CC2)CS1 ZINC000094473242 193372994 /nfs/dbraw/zinc/37/29/94/193372994.db2.gz VOKHDUYUMXWYJM-CZUORRHYSA-N 2 2 309.454 2.171 10 0 DEAELP CC[NH2+][C@@H](Cc1[nH+]cc(C)c(OC)c1C)[C@H]1CSCCO1 ZINC000094503459 193374467 /nfs/dbraw/zinc/37/44/67/193374467.db2.gz ZDDDAWZLVGYGBO-LSDHHAIUSA-N 2 2 310.463 2.360 10 0 DEAELP CCC[NH2+][C@@H](Cc1ccc(Cl)s1)[C@H]1C[NH+]2CCN1CC2 ZINC000094510566 193375206 /nfs/dbraw/zinc/37/52/06/193375206.db2.gz PBLSQEIMPSRNGK-UONOGXRCSA-N 2 2 313.898 2.312 10 0 DEAELP CC(C)[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccc(Br)cc1 ZINC000042439958 183270313 /nfs/dbraw/zinc/27/03/13/183270313.db2.gz DYAULYNWCSXSHP-CQSZACIVSA-N 2 2 315.255 2.240 10 0 DEAELP CC(C)[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccc(Br)cc1 ZINC000042439958 183270315 /nfs/dbraw/zinc/27/03/15/183270315.db2.gz DYAULYNWCSXSHP-CQSZACIVSA-N 2 2 315.255 2.240 10 0 DEAELP CC[NH+]1CCC([N@H+](C)Cc2cc(C(N)=S)ccc2F)CC1 ZINC000042679838 183296423 /nfs/dbraw/zinc/29/64/23/183296423.db2.gz UOHSEMFUZAXSAS-UHFFFAOYSA-N 2 2 309.454 2.376 10 0 DEAELP CC[NH+]1CCC([N@@H+](C)Cc2cc(C(N)=S)ccc2F)CC1 ZINC000042679838 183296424 /nfs/dbraw/zinc/29/64/24/183296424.db2.gz UOHSEMFUZAXSAS-UHFFFAOYSA-N 2 2 309.454 2.376 10 0 DEAELP C[C@H]([NH3+])[C@H](c1ccc(Br)cc1)[N@H+](CCO)C1CC1 ZINC000042955255 183321501 /nfs/dbraw/zinc/32/15/01/183321501.db2.gz XFXYQNWGWOOAII-IINYFYTJSA-N 2 2 313.239 2.294 10 0 DEAELP C[C@H]([NH3+])[C@H](c1ccc(Br)cc1)[N@@H+](CCO)C1CC1 ZINC000042955255 183321504 /nfs/dbraw/zinc/32/15/04/183321504.db2.gz XFXYQNWGWOOAII-IINYFYTJSA-N 2 2 313.239 2.294 10 0 DEAELP CC[C@@H]([NH3+])[C@@H](c1ccc(C)s1)[N@@H+]1CCCN(C(C)=O)CC1 ZINC000043243205 183346919 /nfs/dbraw/zinc/34/69/19/183346919.db2.gz MYBGKHJDCJVHNM-ZBFHGGJFSA-N 2 2 309.479 2.389 10 0 DEAELP CC[C@@H]([NH3+])[C@@H](c1ccc(C)s1)[N@H+]1CCCN(C(C)=O)CC1 ZINC000043243205 183346922 /nfs/dbraw/zinc/34/69/22/183346922.db2.gz MYBGKHJDCJVHNM-ZBFHGGJFSA-N 2 2 309.479 2.389 10 0 DEAELP CC[C@@H]([NH3+])[C@@H](c1ccc(C)s1)[NH+]1CCC(CC(N)=O)CC1 ZINC000043242769 183347106 /nfs/dbraw/zinc/34/71/06/183347106.db2.gz LVTAYUBLBGJUEV-CJNGLKHVSA-N 2 2 309.479 2.422 10 0 DEAELP CC[N@H+](CCO)[C@H](c1cc(Br)cs1)[C@@H](C)[NH3+] ZINC000043286225 183350683 /nfs/dbraw/zinc/35/06/83/183350683.db2.gz YXFRNQXHBIGPFO-KCJUWKMLSA-N 2 2 307.257 2.213 10 0 DEAELP CC[N@@H+](CCO)[C@H](c1cc(Br)cs1)[C@@H](C)[NH3+] ZINC000043286225 183350685 /nfs/dbraw/zinc/35/06/85/183350685.db2.gz YXFRNQXHBIGPFO-KCJUWKMLSA-N 2 2 307.257 2.213 10 0 DEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)N2CCCCC2)C1 ZINC000105896602 194161818 /nfs/dbraw/zinc/16/18/18/194161818.db2.gz UOFTXCCSZFHZNN-HNNXBMFYSA-N 2 2 304.438 2.095 10 0 DEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)N2CCCCC2)C1 ZINC000105896602 194161821 /nfs/dbraw/zinc/16/18/21/194161821.db2.gz UOFTXCCSZFHZNN-HNNXBMFYSA-N 2 2 304.438 2.095 10 0 DEAELP CC[NH2+][C@H]1CCCC[C@H]1C[NH+]1CCN(CC(F)(F)F)CC1 ZINC000061947766 184198235 /nfs/dbraw/zinc/19/82/35/184198235.db2.gz WACWTWHFDHFEKA-KBPBESRZSA-N 2 2 307.404 2.335 10 0 DEAELP COCC[NH2+]Cc1ccc(Br)cc1-n1cc[nH+]c1 ZINC000062738543 184251727 /nfs/dbraw/zinc/25/17/27/184251727.db2.gz XTAMAJGANYVTTJ-UHFFFAOYSA-N 2 2 310.195 2.371 10 0 DEAELP CCO[C@H](C[NH3+])C[N@H+](C)Cc1cc(Br)cs1 ZINC000062739755 184252127 /nfs/dbraw/zinc/25/21/27/184252127.db2.gz UWMBUHJIYHZTDI-SNVBAGLBSA-N 2 2 307.257 2.306 10 0 DEAELP CCO[C@H](C[NH3+])C[N@@H+](C)Cc1cc(Br)cs1 ZINC000062739755 184252128 /nfs/dbraw/zinc/25/21/28/184252128.db2.gz UWMBUHJIYHZTDI-SNVBAGLBSA-N 2 2 307.257 2.306 10 0 DEAELP OCC[C@H]1CCC[C@@H]1[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000188002777 207369334 /nfs/dbraw/zinc/36/93/34/207369334.db2.gz KKMDDVQDXHUNDT-AEFFLSMTSA-N 2 2 303.450 2.187 10 0 DEAELP C[C@@H]1C[C@H](Nc2[nH+]c3c(cc2C(N)=S)CCC3)CC[N@@H+]1C ZINC000158059728 197240147 /nfs/dbraw/zinc/24/01/47/197240147.db2.gz JOIJUUWXZILAMG-ZYHUDNBSSA-N 2 2 304.463 2.099 10 0 DEAELP C[C@@H]1C[C@H](Nc2[nH+]c3c(cc2C(N)=S)CCC3)CC[N@H+]1C ZINC000158059728 197240149 /nfs/dbraw/zinc/24/01/49/197240149.db2.gz JOIJUUWXZILAMG-ZYHUDNBSSA-N 2 2 304.463 2.099 10 0 DEAELP CC[C@H]1CN(Cc2c[nH+]c3c(C)cccn23)CC[N@H+]1CCOC ZINC000120950421 195270199 /nfs/dbraw/zinc/27/01/99/195270199.db2.gz VORGCJGCSSFQRS-INIZCTEOSA-N 2 2 316.449 2.185 10 0 DEAELP Cn1cc[nH+]c1CC1CC[NH+](Cc2cc(C(N)=O)cs2)CC1 ZINC000121801658 195350078 /nfs/dbraw/zinc/35/00/78/195350078.db2.gz VOZSKPSWPVSRJD-UHFFFAOYSA-N 2 2 318.446 2.035 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CC[NH+](C(C)C)CC1)C2 ZINC000373569691 133395788 /nfs/dbraw/zinc/39/57/88/133395788.db2.gz TXNKZZIGABULPD-AWEZNQCLSA-N 2 2 318.465 2.191 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CC[NH+](C(C)C)CC1)CC2 ZINC000373569691 133395789 /nfs/dbraw/zinc/39/57/89/133395789.db2.gz TXNKZZIGABULPD-AWEZNQCLSA-N 2 2 318.465 2.191 10 0 DEAELP c1cc2c(c(C[N@@H+]3CCC[C@H]([NH+]4CCOCC4)CC3)c1)NCC2 ZINC000563426124 292056814 /nfs/dbraw/zinc/05/68/14/292056814.db2.gz UCLVBWSWFFFIPA-SFHVURJKSA-N 2 2 315.461 2.341 10 0 DEAELP c1cc2c(c(C[N@H+]3CCC[C@H]([NH+]4CCOCC4)CC3)c1)NCC2 ZINC000563426124 292056815 /nfs/dbraw/zinc/05/68/15/292056815.db2.gz UCLVBWSWFFFIPA-SFHVURJKSA-N 2 2 315.461 2.341 10 0 DEAELP Clc1ccc2[nH+]ccc(N3CC[N@@H+]4CCOC[C@@H]4C3)c2c1 ZINC000371802502 404473866 /nfs/dbraw/zinc/47/38/66/404473866.db2.gz LBHBHIDJKHYVFL-ZDUSSCGKSA-N 2 2 303.793 2.409 10 0 DEAELP Clc1ccc2[nH+]ccc(N3CC[N@H+]4CCOC[C@@H]4C3)c2c1 ZINC000371802502 404473871 /nfs/dbraw/zinc/47/38/71/404473871.db2.gz LBHBHIDJKHYVFL-ZDUSSCGKSA-N 2 2 303.793 2.409 10 0 DEAELP C[C@H]1CC[C@@](CO)([N@H+](C)Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000187908335 145005018 /nfs/dbraw/zinc/00/50/18/145005018.db2.gz VSALUCWHQQWYTF-WMLDXEAASA-N 2 2 300.406 2.250 10 0 DEAELP C[C@H]1CC[C@@](CO)([N@@H+](C)Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000187908335 145005019 /nfs/dbraw/zinc/00/50/19/145005019.db2.gz VSALUCWHQQWYTF-WMLDXEAASA-N 2 2 300.406 2.250 10 0 DEAELP COc1ncccc1C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000193456645 145086178 /nfs/dbraw/zinc/08/61/78/145086178.db2.gz FSYSGHDQMMAQKF-CQSZACIVSA-N 2 2 300.406 2.278 10 0 DEAELP COc1ncccc1C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000193456645 145086179 /nfs/dbraw/zinc/08/61/79/145086179.db2.gz FSYSGHDQMMAQKF-CQSZACIVSA-N 2 2 300.406 2.278 10 0 DEAELP CC(C)[NH2+]CC[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000193466284 145086457 /nfs/dbraw/zinc/08/64/57/145086457.db2.gz KMFQHKYFISILAF-CYBMUJFWSA-N 2 2 324.856 2.384 10 0 DEAELP CC(C)[NH2+]CC[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000193466284 145086459 /nfs/dbraw/zinc/08/64/59/145086459.db2.gz KMFQHKYFISILAF-CYBMUJFWSA-N 2 2 324.856 2.384 10 0 DEAELP O[C@@]12CCCC[C@H]1C[N@H+](Cc1ccc(-n3cc[nH+]c3)nc1)CC2 ZINC000247039564 145124554 /nfs/dbraw/zinc/12/45/54/145124554.db2.gz RCMJQSZYPGNLDI-FUHWJXTLSA-N 2 2 312.417 2.394 10 0 DEAELP O[C@@]12CCCC[C@H]1C[N@@H+](Cc1ccc(-n3cc[nH+]c3)nc1)CC2 ZINC000247039564 145124556 /nfs/dbraw/zinc/12/45/56/145124556.db2.gz RCMJQSZYPGNLDI-FUHWJXTLSA-N 2 2 312.417 2.394 10 0 DEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@@H](O)COC(C)(C)C)C1 ZINC000247062299 145124950 /nfs/dbraw/zinc/12/49/50/145124950.db2.gz GAMGQJJCPOMWPN-LSDHHAIUSA-N 2 2 309.454 2.258 10 0 DEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@@H](O)COC(C)(C)C)C1 ZINC000247062299 145124952 /nfs/dbraw/zinc/12/49/52/145124952.db2.gz GAMGQJJCPOMWPN-LSDHHAIUSA-N 2 2 309.454 2.258 10 0 DEAELP C[C@@H](c1nc(-c2cccnc2)no1)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000247070077 145126034 /nfs/dbraw/zinc/12/60/34/145126034.db2.gz HMRZKIYPHVCYDB-STQMWFEESA-N 2 2 301.394 2.076 10 0 DEAELP C[C@@H](c1nc(-c2cccnc2)no1)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000247070077 145126035 /nfs/dbraw/zinc/12/60/35/145126035.db2.gz HMRZKIYPHVCYDB-STQMWFEESA-N 2 2 301.394 2.076 10 0 DEAELP CN(Cc1ccccc1)C(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247970874 145145036 /nfs/dbraw/zinc/14/50/36/145145036.db2.gz HIDXTOKKTRABBB-ZWKOTPCHSA-N 2 2 315.461 2.061 10 0 DEAELP CN(Cc1ccccc1)C(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247970874 145145037 /nfs/dbraw/zinc/14/50/37/145145037.db2.gz HIDXTOKKTRABBB-ZWKOTPCHSA-N 2 2 315.461 2.061 10 0 DEAELP CN(Cc1ccccc1)C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247970874 145145039 /nfs/dbraw/zinc/14/50/39/145145039.db2.gz HIDXTOKKTRABBB-ZWKOTPCHSA-N 2 2 315.461 2.061 10 0 DEAELP CN(Cc1ccccc1)C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247970874 145145041 /nfs/dbraw/zinc/14/50/41/145145041.db2.gz HIDXTOKKTRABBB-ZWKOTPCHSA-N 2 2 315.461 2.061 10 0 DEAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H]1CCCC[C@H]1O ZINC000248141109 145148808 /nfs/dbraw/zinc/14/88/08/145148808.db2.gz PRMCAJRRGKSMNF-ZAWLATJESA-N 2 2 317.477 2.433 10 0 DEAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H]1CCCC[C@H]1O ZINC000248141109 145148809 /nfs/dbraw/zinc/14/88/09/145148809.db2.gz PRMCAJRRGKSMNF-ZAWLATJESA-N 2 2 317.477 2.433 10 0 DEAELP C[C@@H](C(=O)NCc1ccccc1Cl)[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261638760 145212203 /nfs/dbraw/zinc/21/22/03/145212203.db2.gz DIPSHJOKKNFVSN-WFASDCNBSA-N 2 2 323.868 2.404 10 0 DEAELP C[C@@H](C(=O)NCc1ccccc1Cl)[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261638760 145212206 /nfs/dbraw/zinc/21/22/06/145212206.db2.gz DIPSHJOKKNFVSN-WFASDCNBSA-N 2 2 323.868 2.404 10 0 DEAELP COc1ccc(C)cc1NC(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261663530 145215079 /nfs/dbraw/zinc/21/50/79/145215079.db2.gz GIZWQSXFLKPXMM-YIONKMFJSA-N 2 2 317.433 2.157 10 0 DEAELP COc1ccc(C)cc1NC(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261663530 145215080 /nfs/dbraw/zinc/21/50/80/145215080.db2.gz GIZWQSXFLKPXMM-YIONKMFJSA-N 2 2 317.433 2.157 10 0 DEAELP C[N@H+](CC(=O)Nc1ccc2c(c1)CCC2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261693619 145217781 /nfs/dbraw/zinc/21/77/81/145217781.db2.gz JHLVOEGKRWZHQH-JWTNVVGKSA-N 2 2 313.445 2.329 10 0 DEAELP C[N@@H+](CC(=O)Nc1ccc2c(c1)CCC2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261693619 145217783 /nfs/dbraw/zinc/21/77/83/145217783.db2.gz JHLVOEGKRWZHQH-JWTNVVGKSA-N 2 2 313.445 2.329 10 0 DEAELP C[N@H+](CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)CC(C)(C)[NH3+] ZINC000261760631 145223601 /nfs/dbraw/zinc/22/36/01/145223601.db2.gz CVYFVHHJAUGKAE-SFHVURJKSA-N 3 2 319.493 2.101 10 0 DEAELP C[N@@H+](CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)CC(C)(C)[NH3+] ZINC000261760631 145223604 /nfs/dbraw/zinc/22/36/04/145223604.db2.gz CVYFVHHJAUGKAE-SFHVURJKSA-N 3 2 319.493 2.101 10 0 DEAELP CC1(C)C[N@@H+]([C@H](C(=O)NC2CC2)c2ccccc2)CC[C@@H]1[NH3+] ZINC000261802513 145228074 /nfs/dbraw/zinc/22/80/74/145228074.db2.gz VYQLTCNXLPXHHG-HOTGVXAUSA-N 2 2 301.434 2.066 10 0 DEAELP CC1(C)C[N@H+]([C@H](C(=O)NC2CC2)c2ccccc2)CC[C@@H]1[NH3+] ZINC000261802513 145228075 /nfs/dbraw/zinc/22/80/75/145228075.db2.gz VYQLTCNXLPXHHG-HOTGVXAUSA-N 2 2 301.434 2.066 10 0 DEAELP CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)CC[C@H]1CC[NH2+]C1)C2 ZINC000261814411 145229997 /nfs/dbraw/zinc/22/99/97/145229997.db2.gz MCQIMTSDJDOYAD-UONOGXRCSA-N 2 2 318.465 2.001 10 0 DEAELP CCc1noc(CC)c1C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000261884035 145237727 /nfs/dbraw/zinc/23/77/27/145237727.db2.gz FROMTNRFCABANZ-DAXOMENPSA-N 2 2 307.438 2.046 10 0 DEAELP [NH3+]C1(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CCOCC1 ZINC000261922526 145242660 /nfs/dbraw/zinc/24/26/60/145242660.db2.gz VEPFDPDKPNGCGH-UHFFFAOYSA-N 2 2 313.357 2.320 10 0 DEAELP C[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH+](CC(C)(C)[NH3+])CC2 ZINC000261941792 145244859 /nfs/dbraw/zinc/24/48/59/145244859.db2.gz MUHALBCOCKPXJD-CYBMUJFWSA-N 3 2 308.495 2.167 10 0 DEAELP C[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH+](CC(C)(C)[NH3+])CC2 ZINC000261941792 145244861 /nfs/dbraw/zinc/24/48/61/145244861.db2.gz MUHALBCOCKPXJD-CYBMUJFWSA-N 3 2 308.495 2.167 10 0 DEAELP C[N@H+](Cc1nccs1)[C@@H]1CC12CCN(CC(C)(C)[NH3+])CC2 ZINC000261941792 145244862 /nfs/dbraw/zinc/24/48/62/145244862.db2.gz MUHALBCOCKPXJD-CYBMUJFWSA-N 2 2 308.495 2.167 10 0 DEAELP C[N@@H+](Cc1nccs1)[C@@H]1CC12CCN(CC(C)(C)[NH3+])CC2 ZINC000261941792 145244864 /nfs/dbraw/zinc/24/48/64/145244864.db2.gz MUHALBCOCKPXJD-CYBMUJFWSA-N 2 2 308.495 2.167 10 0 DEAELP CCc1nc(C[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)no1 ZINC000111212988 401701136 /nfs/dbraw/zinc/70/11/36/401701136.db2.gz GGPYHGWXFMGAJU-CYBMUJFWSA-N 2 2 301.394 2.269 10 0 DEAELP CCc1nc(C[N@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)no1 ZINC000111212988 401701139 /nfs/dbraw/zinc/70/11/39/401701139.db2.gz GGPYHGWXFMGAJU-CYBMUJFWSA-N 2 2 301.394 2.269 10 0 DEAELP O=c1c(C[NH2+]CC[NH+]2CCCC2)cc2cccc3c2n1CCC3 ZINC000039287264 401923960 /nfs/dbraw/zinc/92/39/60/401923960.db2.gz OBYDNYJWCRLTEH-UHFFFAOYSA-N 2 2 311.429 2.133 10 0 DEAELP COc1ccc2c(c1)[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)CC2 ZINC000151273382 402027368 /nfs/dbraw/zinc/02/73/68/402027368.db2.gz LSWRRADQHHKCFR-YJBOKZPZSA-N 2 2 304.434 2.119 10 0 DEAELP O[C@H](C[NH2+][C@@H]1CSCCc2ccccc21)C[NH+]1CCCCC1 ZINC000151324240 402029591 /nfs/dbraw/zinc/02/95/91/402029591.db2.gz UFSQYTIXDUSHPL-SJLPKXTDSA-N 2 2 320.502 2.453 10 0 DEAELP CCOc1ccccc1NC(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123026528 402106533 /nfs/dbraw/zinc/10/65/33/402106533.db2.gz ANHVNIWMLQAQCT-CABCVRRESA-N 2 2 319.449 2.438 10 0 DEAELP CCOc1ccccc1NC(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123026528 402106534 /nfs/dbraw/zinc/10/65/34/402106534.db2.gz ANHVNIWMLQAQCT-CABCVRRESA-N 2 2 319.449 2.438 10 0 DEAELP CCOc1ccccc1NC(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123026528 402106537 /nfs/dbraw/zinc/10/65/37/402106537.db2.gz ANHVNIWMLQAQCT-CABCVRRESA-N 2 2 319.449 2.438 10 0 DEAELP CCOc1ccccc1NC(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123026528 402106538 /nfs/dbraw/zinc/10/65/38/402106538.db2.gz ANHVNIWMLQAQCT-CABCVRRESA-N 2 2 319.449 2.438 10 0 DEAELP C[C@@H]1C[C@H]([NH+](C)CC(=O)NCCC2CCCCC2)CC[N@@H+]1C ZINC000123113731 402111439 /nfs/dbraw/zinc/11/14/39/402111439.db2.gz YEPYTIQMUNNQKD-NVXWUHKLSA-N 2 2 309.498 2.488 10 0 DEAELP C[C@@H]1C[C@H]([NH+](C)CC(=O)NCCC2CCCCC2)CC[N@H+]1C ZINC000123113731 402111442 /nfs/dbraw/zinc/11/14/42/402111442.db2.gz YEPYTIQMUNNQKD-NVXWUHKLSA-N 2 2 309.498 2.488 10 0 DEAELP C[C@@H]1C[C@H]([N@H+](C)CC(=O)NCCC2CCCCC2)CC[NH+]1C ZINC000123113731 402111444 /nfs/dbraw/zinc/11/14/44/402111444.db2.gz YEPYTIQMUNNQKD-NVXWUHKLSA-N 2 2 309.498 2.488 10 0 DEAELP C[C@@H]1C[C@H]([N@@H+](C)CC(=O)NCCC2CCCCC2)CC[NH+]1C ZINC000123113731 402111447 /nfs/dbraw/zinc/11/14/47/402111447.db2.gz YEPYTIQMUNNQKD-NVXWUHKLSA-N 2 2 309.498 2.488 10 0 DEAELP Cc1ccc(CNC(=O)C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000123154960 402113627 /nfs/dbraw/zinc/11/36/27/402113627.db2.gz JJIXGZUOPGMBKJ-WBVHZDCISA-N 2 2 303.450 2.026 10 0 DEAELP Cc1ccc(CNC(=O)C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000123154960 402113629 /nfs/dbraw/zinc/11/36/29/402113629.db2.gz JJIXGZUOPGMBKJ-WBVHZDCISA-N 2 2 303.450 2.026 10 0 DEAELP Cc1ccc(CNC(=O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000123154960 402113631 /nfs/dbraw/zinc/11/36/31/402113631.db2.gz JJIXGZUOPGMBKJ-WBVHZDCISA-N 2 2 303.450 2.026 10 0 DEAELP Cc1ccc(CNC(=O)C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000123154960 402113634 /nfs/dbraw/zinc/11/36/34/402113634.db2.gz JJIXGZUOPGMBKJ-WBVHZDCISA-N 2 2 303.450 2.026 10 0 DEAELP CC(C)[C@H](C(=O)NCc1ccc[nH+]c1N(C)C)[NH+]1CCCCC1 ZINC000067292468 402156444 /nfs/dbraw/zinc/15/64/44/402156444.db2.gz CGJDCWVZLFRKIL-MRXNPFEDSA-N 2 2 318.465 2.274 10 0 DEAELP CC(C)[C@H](C)CC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000154137203 402194874 /nfs/dbraw/zinc/19/48/74/402194874.db2.gz ISMNCINVHSWRSF-HRBLRVMOSA-N 2 2 321.509 2.438 10 0 DEAELP CC(C)[C@H](C)CC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000154137203 402194875 /nfs/dbraw/zinc/19/48/75/402194875.db2.gz ISMNCINVHSWRSF-HRBLRVMOSA-N 2 2 321.509 2.438 10 0 DEAELP C(CN1CCCC[C@H]1C[NH+]1CCOCC1)C[NH+]1CCCCC1 ZINC000125166509 402217344 /nfs/dbraw/zinc/21/73/44/402217344.db2.gz NZSSLGBIJTWEMM-SFHVURJKSA-N 2 2 309.498 2.049 10 0 DEAELP COCCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1OC ZINC000154569024 402218868 /nfs/dbraw/zinc/21/88/68/402218868.db2.gz DMIJXJSEBRXVKY-HOCLYGCPSA-N 2 2 322.449 2.465 10 0 DEAELP COCCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)cc1OC ZINC000154569024 402218871 /nfs/dbraw/zinc/21/88/71/402218871.db2.gz DMIJXJSEBRXVKY-HOCLYGCPSA-N 2 2 322.449 2.465 10 0 DEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)N2CCC(C)CC2)C1 ZINC000105896598 402210640 /nfs/dbraw/zinc/21/06/40/402210640.db2.gz SPJCODNHAYQHCN-INIZCTEOSA-N 2 2 318.465 2.341 10 0 DEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)N2CCC(C)CC2)C1 ZINC000105896598 402210641 /nfs/dbraw/zinc/21/06/41/402210641.db2.gz SPJCODNHAYQHCN-INIZCTEOSA-N 2 2 318.465 2.341 10 0 DEAELP C[NH+]1CCN([C@@H]2CCCC[N@H+](Cc3ccnc(Cl)c3)C2)CC1 ZINC000177368467 402395156 /nfs/dbraw/zinc/39/51/56/402395156.db2.gz DRINYHHXDULSOI-MRXNPFEDSA-N 2 2 322.884 2.337 10 0 DEAELP C[NH+]1CCN([C@@H]2CCCC[N@@H+](Cc3ccnc(Cl)c3)C2)CC1 ZINC000177368467 402395158 /nfs/dbraw/zinc/39/51/58/402395158.db2.gz DRINYHHXDULSOI-MRXNPFEDSA-N 2 2 322.884 2.337 10 0 DEAELP CCO[C@@H](C)c1noc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)n1 ZINC000178331663 402485962 /nfs/dbraw/zinc/48/59/62/402485962.db2.gz KMUFLOGHONRYCP-GXTWGEPZSA-N 2 2 319.409 2.337 10 0 DEAELP CCO[C@@H](C)c1noc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)n1 ZINC000178331663 402485964 /nfs/dbraw/zinc/48/59/64/402485964.db2.gz KMUFLOGHONRYCP-GXTWGEPZSA-N 2 2 319.409 2.337 10 0 DEAELP CC[N@H+](CCCNC(=O)N1CC[C@@H]([NH+](C)C)C1)c1ccccc1 ZINC000170826877 402529657 /nfs/dbraw/zinc/52/96/57/402529657.db2.gz MIVVACKLZGCYHZ-QGZVFWFLSA-N 2 2 318.465 2.249 10 0 DEAELP CC[N@@H+](CCCNC(=O)N1CC[C@@H]([NH+](C)C)C1)c1ccccc1 ZINC000170826877 402529659 /nfs/dbraw/zinc/52/96/59/402529659.db2.gz MIVVACKLZGCYHZ-QGZVFWFLSA-N 2 2 318.465 2.249 10 0 DEAELP CC(C)OC[C@H](O)C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180666303 402622783 /nfs/dbraw/zinc/62/27/83/402622783.db2.gz MVZYDXDTZKJNLX-WMLDXEAASA-N 2 2 303.406 2.309 10 0 DEAELP Cn1c(C[NH+]2CCC(C[NH+]3CCCC3)CC2)nnc1C1CCC1 ZINC000181102510 402635502 /nfs/dbraw/zinc/63/55/02/402635502.db2.gz YKAOWOXQQPYPHO-UHFFFAOYSA-N 2 2 317.481 2.390 10 0 DEAELP CC(C)Cn1cc[nH+]c1CNC(=O)NCC[NH+](C(C)C)C(C)C ZINC000173442158 402697804 /nfs/dbraw/zinc/69/78/04/402697804.db2.gz JQJIMRLIDYVADC-UHFFFAOYSA-N 2 2 323.485 2.457 10 0 DEAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N(C)C2CCCCC2)[C@H](C)C1 ZINC000175731463 402827333 /nfs/dbraw/zinc/82/73/33/402827333.db2.gz AVJCUJHWLPKEKA-NVXWUHKLSA-N 2 2 309.498 2.440 10 0 DEAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N(C)C2CCCCC2)[C@H](C)C1 ZINC000175731463 402827334 /nfs/dbraw/zinc/82/73/34/402827334.db2.gz AVJCUJHWLPKEKA-NVXWUHKLSA-N 2 2 309.498 2.440 10 0 DEAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N(C)C2CCCCC2)[C@H](C)C1 ZINC000175731463 402827336 /nfs/dbraw/zinc/82/73/36/402827336.db2.gz AVJCUJHWLPKEKA-NVXWUHKLSA-N 2 2 309.498 2.440 10 0 DEAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N(C)C2CCCCC2)[C@H](C)C1 ZINC000175731463 402827337 /nfs/dbraw/zinc/82/73/37/402827337.db2.gz AVJCUJHWLPKEKA-NVXWUHKLSA-N 2 2 309.498 2.440 10 0 DEAELP CCCc1noc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)n1 ZINC000195515926 402848609 /nfs/dbraw/zinc/84/86/09/402848609.db2.gz BBHKZAYHLMFJOG-CYBMUJFWSA-N 2 2 301.394 2.351 10 0 DEAELP CCCc1noc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)n1 ZINC000195515926 402848611 /nfs/dbraw/zinc/84/86/11/402848611.db2.gz BBHKZAYHLMFJOG-CYBMUJFWSA-N 2 2 301.394 2.351 10 0 DEAELP c1ccc(OC2CC2)c(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000289023780 403810144 /nfs/dbraw/zinc/81/01/44/403810144.db2.gz AWCWLCIEJLVECP-MRXNPFEDSA-N 2 2 316.445 2.382 10 0 DEAELP c1ccc(OC2CC2)c(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000289023780 403810148 /nfs/dbraw/zinc/81/01/48/403810148.db2.gz AWCWLCIEJLVECP-MRXNPFEDSA-N 2 2 316.445 2.382 10 0 DEAELP CC1(C)COC[C@@H]1[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000313154365 403976809 /nfs/dbraw/zinc/97/68/09/403976809.db2.gz WTYPGCFKLHMSPK-MSOLQXFVSA-N 2 2 318.461 2.292 10 0 DEAELP CC1(C)COC[C@@H]1[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000313154365 403976813 /nfs/dbraw/zinc/97/68/13/403976813.db2.gz WTYPGCFKLHMSPK-MSOLQXFVSA-N 2 2 318.461 2.292 10 0 DEAELP C[C@@H]1C[N@H+](Cc2ncc(C3CC3)o2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000370149757 404350295 /nfs/dbraw/zinc/35/02/95/404350295.db2.gz POUVJGJPQXWDOI-GDBMZVCRSA-N 2 2 318.465 2.010 10 0 DEAELP C[C@@H]1C[N@@H+](Cc2ncc(C3CC3)o2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000370149757 404350301 /nfs/dbraw/zinc/35/03/01/404350301.db2.gz POUVJGJPQXWDOI-GDBMZVCRSA-N 2 2 318.465 2.010 10 0 DEAELP CN(C)c1[nH+]cc(C[N@@H+](C[C@H]2CCCO2)C2CCCC2)n1C ZINC000425333121 405274561 /nfs/dbraw/zinc/27/45/61/405274561.db2.gz FIDBDYSNKSCVQD-MRXNPFEDSA-N 2 2 306.454 2.410 10 0 DEAELP CC(C)[N@@H+]1CC[C@H](CNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC000531501554 405968660 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C[C@@H](CC[NH2+]C1CC[NH+](Cc2ccccc2)CC1)[S@@](C)=O ZINC000129456792 196050719 /nfs/dbraw/zinc/05/07/19/196050719.db2.gz OUSXSOBKBGKLII-BTYIYWSLSA-N 2 2 308.491 2.398 10 0 DEAELP CCNc1nc(NC[C@@H](C)[NH+](C)C)c(Br)c[nH+]1 ZINC000132223921 196236710 /nfs/dbraw/zinc/23/67/10/196236710.db2.gz FWXLRQASKICHNO-MRVPVSSYSA-N 2 2 302.220 2.033 10 0 DEAELP c1[nH+]c2c(n1[C@@H]1CC[N@@H+](Cc3nnc(C4CC4)o3)C1)CCCC2 ZINC000299746616 229389426 /nfs/dbraw/zinc/38/94/26/229389426.db2.gz YNTHLLSMOXGEAP-CYBMUJFWSA-N 2 2 313.405 2.469 10 0 DEAELP c1[nH+]c2c(n1[C@@H]1CC[N@H+](Cc3nnc(C4CC4)o3)C1)CCCC2 ZINC000299746616 229389431 /nfs/dbraw/zinc/38/94/31/229389431.db2.gz YNTHLLSMOXGEAP-CYBMUJFWSA-N 2 2 313.405 2.469 10 0 DEAELP CCc1noc([C@@H](C)[NH+]2CCC(Cc3[nH+]ccn3C)CC2)n1 ZINC000105876374 424849740 /nfs/dbraw/zinc/84/97/40/424849740.db2.gz WZYBQOVHHZGSEF-GFCCVEGCSA-N 2 2 303.410 2.381 10 0 DEAELP Cc1nc(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)nc(N)[nH+]1 ZINC000379686927 424907810 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356670340 /nfs/dbraw/zinc/67/03/40/356670340.db2.gz XISQDLHXUVJMGA-NXHRZFHOSA-N 2 2 306.450 2.025 10 0 DEAELP CC(C)OC[C@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000380963008 356670343 /nfs/dbraw/zinc/67/03/43/356670343.db2.gz XISQDLHXUVJMGA-NXHRZFHOSA-N 2 2 306.450 2.025 10 0 DEAELP C[C@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000180590624 199180428 /nfs/dbraw/zinc/18/04/28/199180428.db2.gz STLHUCOQJXIMOD-DZGCQCFKSA-N 2 2 308.389 2.129 10 0 DEAELP Cc1nccnc1[C@@H](C)[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000187795942 200157593 /nfs/dbraw/zinc/15/75/93/200157593.db2.gz DXBDMFAUKWNXHS-OAHLLOKOSA-N 2 2 311.433 2.495 10 0 DEAELP O=C(Nc1ccc2[nH+]ccn2c1)N1CC[NH+](C2CCCC2)CC1 ZINC000606582222 361022820 /nfs/dbraw/zinc/02/28/20/361022820.db2.gz HMCUWAQBLZOPGL-UHFFFAOYSA-N 2 2 313.405 2.426 10 0 DEAELP CC(=O)N1CC[C@@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c2ccccc21 ZINC000621761834 364538287 /nfs/dbraw/zinc/53/82/87/364538287.db2.gz OGKQVVYIYMXDEE-DZGCQCFKSA-N 2 2 310.401 2.355 10 0 DEAELP CC(=O)N1CC[C@@H]([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)c2ccccc21 ZINC000621761834 364538290 /nfs/dbraw/zinc/53/82/90/364538290.db2.gz OGKQVVYIYMXDEE-DZGCQCFKSA-N 2 2 310.401 2.355 10 0 DEAELP CCN(CC)C(=O)C[C@H](C[NH3+])[N@H+](C)Cc1cccc(Cl)c1 ZINC000091322725 193040746 /nfs/dbraw/zinc/04/07/46/193040746.db2.gz QORVQYZDAMBMDL-OAHLLOKOSA-N 2 2 311.857 2.358 10 0 DEAELP CCN(CC)C(=O)C[C@H](C[NH3+])[N@@H+](C)Cc1cccc(Cl)c1 ZINC000091322725 193040748 /nfs/dbraw/zinc/04/07/48/193040748.db2.gz QORVQYZDAMBMDL-OAHLLOKOSA-N 2 2 311.857 2.358 10 0 DEAELP C[N@H+](CC1CC(O)C1)[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000091464236 193059571 /nfs/dbraw/zinc/05/95/71/193059571.db2.gz KPLIRLVIEAODPZ-DBRPNBKGSA-N 2 2 313.239 2.152 10 0 DEAELP C[N@@H+](CC1CC(O)C1)[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000091464236 193059573 /nfs/dbraw/zinc/05/95/73/193059573.db2.gz KPLIRLVIEAODPZ-DBRPNBKGSA-N 2 2 313.239 2.152 10 0 DEAELP CC[C@](C)([C@H]([NH3+])[C@@H]1CCC[C@H](S(C)(=O)=O)C1)[NH+]1CCCC1 ZINC000094642915 193388627 /nfs/dbraw/zinc/38/86/27/193388627.db2.gz FLBRMJOAVQHIAK-QKPAOTATSA-N 2 2 316.511 2.182 10 0 DEAELP CCC[NH2+][C@@H](Cc1ccccc1Cl)[C@@H]1C[NH+]2CCN1CC2 ZINC000094510756 193376144 /nfs/dbraw/zinc/37/61/44/193376144.db2.gz CIGLTSIMPSLQMV-IRXDYDNUSA-N 2 2 307.869 2.251 10 0 DEAELP C[NH2+]CCc1cn(Cc2cc(OC)ccc2Br)c[nH+]1 ZINC000094529728 193377548 /nfs/dbraw/zinc/37/75/48/193377548.db2.gz XDMXPSOOIYVHDB-UHFFFAOYSA-N 2 2 324.222 2.464 10 0 DEAELP CC[C@@H]([NH3+])[C@@H](c1ccc(C)s1)[NH+]1CCC(C(=O)NC)CC1 ZINC000043240654 183346019 /nfs/dbraw/zinc/34/60/19/183346019.db2.gz PWZUSQANMRRUOY-HIFRSBDPSA-N 2 2 309.479 2.293 10 0 DEAELP CN(Cc1[nH+]ccn1C)[C@@H](C[NH3+])c1cccc(Br)c1 ZINC000062247656 184225253 /nfs/dbraw/zinc/22/52/53/184225253.db2.gz VTURPMMHDXDOSQ-ZDUSSCGKSA-N 2 2 323.238 2.314 10 0 DEAELP CC[C@@H](C)CC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000188259227 535472570 /nfs/dbraw/zinc/47/25/70/535472570.db2.gz BAPKBMQLXSLTNH-MRXNPFEDSA-N 2 2 309.498 2.489 10 0 DEAELP c1ccc([C@H]2CC[C@H](C[NH2+][C@H](C3CC3)[C@H]3C[NH2+]CCO3)O2)cc1 ZINC000423119714 285493025 /nfs/dbraw/zinc/49/30/25/285493025.db2.gz DINSVBQGIDZOLM-NCXUSEDFSA-N 2 2 316.445 2.263 10 0 DEAELP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+]Cc1cnc([C@@H]3CCCO3)s1)C2 ZINC000368258170 133266707 /nfs/dbraw/zinc/26/67/07/133266707.db2.gz IYHMZRVRQWUCRA-YGRLFVJLSA-N 2 2 304.419 2.365 10 0 DEAELP c1[nH]c2c([nH+]1)C[C@H]([NH2+]Cc1cnc([C@@H]3CCCO3)s1)CC2 ZINC000368258170 133266708 /nfs/dbraw/zinc/26/67/08/133266708.db2.gz IYHMZRVRQWUCRA-YGRLFVJLSA-N 2 2 304.419 2.365 10 0 DEAELP Cn1cc[nH+]c1CC1CC[NH+](Cc2cn(C(C)(C)C)nn2)CC1 ZINC000191340932 145056651 /nfs/dbraw/zinc/05/66/51/145056651.db2.gz VOHZJNDPWOGWQU-UHFFFAOYSA-N 2 2 316.453 2.221 10 0 DEAELP C[C@@H](NC(=O)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)c1ccc(Cl)cc1 ZINC000193604249 145087590 /nfs/dbraw/zinc/08/75/90/145087590.db2.gz FYYRHZATQQECMC-YUELXQCFSA-N 2 2 321.852 2.011 10 0 DEAELP C[C@@H](NC(=O)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)c1ccc(Cl)cc1 ZINC000193604249 145087592 /nfs/dbraw/zinc/08/75/92/145087592.db2.gz FYYRHZATQQECMC-YUELXQCFSA-N 2 2 321.852 2.011 10 0 DEAELP C[C@@H](NC(=O)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1)c1ccc(Cl)cc1 ZINC000193604249 145087593 /nfs/dbraw/zinc/08/75/93/145087593.db2.gz FYYRHZATQQECMC-YUELXQCFSA-N 2 2 321.852 2.011 10 0 DEAELP C[C@@H](NC(=O)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1)c1ccc(Cl)cc1 ZINC000193604249 145087595 /nfs/dbraw/zinc/08/75/95/145087595.db2.gz FYYRHZATQQECMC-YUELXQCFSA-N 2 2 321.852 2.011 10 0 DEAELP Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193634595 145087689 /nfs/dbraw/zinc/08/76/89/145087689.db2.gz ORBFJJFBCXXXBN-VVLHAWIVSA-N 2 2 315.461 2.054 10 0 DEAELP Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193634595 145087690 /nfs/dbraw/zinc/08/76/90/145087690.db2.gz ORBFJJFBCXXXBN-VVLHAWIVSA-N 2 2 315.461 2.054 10 0 DEAELP Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193634595 145087691 /nfs/dbraw/zinc/08/76/91/145087691.db2.gz ORBFJJFBCXXXBN-VVLHAWIVSA-N 2 2 315.461 2.054 10 0 DEAELP Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193634595 145087692 /nfs/dbraw/zinc/08/76/92/145087692.db2.gz ORBFJJFBCXXXBN-VVLHAWIVSA-N 2 2 315.461 2.054 10 0 DEAELP CCC[C@H](NC(=O)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)c1ccccc1 ZINC000193635179 145087747 /nfs/dbraw/zinc/08/77/47/145087747.db2.gz ZIAGOWUXMUADFG-KSZLIROESA-N 2 2 315.461 2.137 10 0 DEAELP CCC[C@H](NC(=O)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)c1ccccc1 ZINC000193635179 145087749 /nfs/dbraw/zinc/08/77/49/145087749.db2.gz ZIAGOWUXMUADFG-KSZLIROESA-N 2 2 315.461 2.137 10 0 DEAELP CCC[C@H](NC(=O)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1)c1ccccc1 ZINC000193635179 145087752 /nfs/dbraw/zinc/08/77/52/145087752.db2.gz ZIAGOWUXMUADFG-KSZLIROESA-N 2 2 315.461 2.137 10 0 DEAELP CCC[C@H](NC(=O)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1)c1ccccc1 ZINC000193635179 145087754 /nfs/dbraw/zinc/08/77/54/145087754.db2.gz ZIAGOWUXMUADFG-KSZLIROESA-N 2 2 315.461 2.137 10 0 DEAELP C[C@@H](C(=O)Nc1cccc2ncccc21)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193649852 145088824 /nfs/dbraw/zinc/08/88/24/145088824.db2.gz GYGNLRPWDBHBEL-SOUVJXGZSA-N 2 2 324.428 2.055 10 0 DEAELP C[C@@H](C(=O)Nc1cccc2ncccc21)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193649852 145088825 /nfs/dbraw/zinc/08/88/25/145088825.db2.gz GYGNLRPWDBHBEL-SOUVJXGZSA-N 2 2 324.428 2.055 10 0 DEAELP C[C@@H](C(=O)Nc1cccc2ncccc21)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193649852 145088826 /nfs/dbraw/zinc/08/88/26/145088826.db2.gz GYGNLRPWDBHBEL-SOUVJXGZSA-N 2 2 324.428 2.055 10 0 DEAELP C[C@@H](C(=O)Nc1cccc2ncccc21)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193649852 145088828 /nfs/dbraw/zinc/08/88/28/145088828.db2.gz GYGNLRPWDBHBEL-SOUVJXGZSA-N 2 2 324.428 2.055 10 0 DEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NCc2ccccc2C)[C@@H](C)C1 ZINC000245443466 145092372 /nfs/dbraw/zinc/09/23/72/145092372.db2.gz XFPRNKMACKXLQG-WMZOPIPTSA-N 2 2 317.477 2.273 10 0 DEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NCc2ccccc2C)[C@@H](C)C1 ZINC000245443466 145092373 /nfs/dbraw/zinc/09/23/73/145092373.db2.gz XFPRNKMACKXLQG-WMZOPIPTSA-N 2 2 317.477 2.273 10 0 DEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NCc2ccccc2C)[C@@H](C)C1 ZINC000245443466 145092374 /nfs/dbraw/zinc/09/23/74/145092374.db2.gz XFPRNKMACKXLQG-WMZOPIPTSA-N 2 2 317.477 2.273 10 0 DEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NCc2ccccc2C)[C@@H](C)C1 ZINC000245443466 145092375 /nfs/dbraw/zinc/09/23/75/145092375.db2.gz XFPRNKMACKXLQG-WMZOPIPTSA-N 2 2 317.477 2.273 10 0 DEAELP C[C@@H]([NH2+]CCN1CCO[C@H](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000253355791 145202075 /nfs/dbraw/zinc/20/20/75/145202075.db2.gz UROZBQRUYPTKFC-HZPDHXFCSA-N 2 2 314.433 2.244 10 0 DEAELP C[N@H+](CC(=O)N1CCCc2ccccc21)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261619607 145210886 /nfs/dbraw/zinc/21/08/86/145210886.db2.gz ARHGFEQILNOVPV-SJPCQFCGSA-N 2 2 313.445 2.181 10 0 DEAELP C[N@@H+](CC(=O)N1CCCc2ccccc21)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261619607 145210890 /nfs/dbraw/zinc/21/08/90/145210890.db2.gz ARHGFEQILNOVPV-SJPCQFCGSA-N 2 2 313.445 2.181 10 0 DEAELP Cc1[nH+]c2ccccn2c1CN1CC[NH2+]C[C@H]1c1cccnc1 ZINC000261638236 145212607 /nfs/dbraw/zinc/21/26/07/145212607.db2.gz FKLXXARZVANWCO-INIZCTEOSA-N 2 2 307.401 2.184 10 0 DEAELP c1[nH+]c([C@@H]2CCC[N@@H+](CC3CC[NH2+]CC3)C2)n2c1CCCC2 ZINC000261701654 145218519 /nfs/dbraw/zinc/21/85/19/145218519.db2.gz IAYJKWOMBOXDDT-MRXNPFEDSA-N 3 2 302.466 2.398 10 0 DEAELP c1[nH+]c([C@@H]2CCC[N@H+](CC3CC[NH2+]CC3)C2)n2c1CCCC2 ZINC000261701654 145218520 /nfs/dbraw/zinc/21/85/20/145218520.db2.gz IAYJKWOMBOXDDT-MRXNPFEDSA-N 3 2 302.466 2.398 10 0 DEAELP C[C@]1(C[NH+]2CCN(C(=O)c3ccc(Cl)cc3)CC2)CC[NH2+]C1 ZINC000261729334 145221355 /nfs/dbraw/zinc/22/13/55/145221355.db2.gz HAMCOBRNCVQFKY-KRWDZBQOSA-N 2 2 321.852 2.097 10 0 DEAELP Clc1cccc([C@H](CNC2=[NH+]CCCN2)[NH+]2CCCC2)c1 ZINC000261771235 145224062 /nfs/dbraw/zinc/22/40/62/145224062.db2.gz MTADAXHSVBXSOA-HNNXBMFYSA-N 2 2 306.841 2.416 10 0 DEAELP COc1ccccc1-n1nccc1C[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261802089 145228020 /nfs/dbraw/zinc/22/80/20/145228020.db2.gz HAVRJKDEVVORBZ-KRWDZBQOSA-N 2 2 314.433 2.440 10 0 DEAELP COc1ccccc1-n1nccc1C[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261802089 145228022 /nfs/dbraw/zinc/22/80/22/145228022.db2.gz HAVRJKDEVVORBZ-KRWDZBQOSA-N 2 2 314.433 2.440 10 0 DEAELP C[N@H+](C[C@@]1(C)CC[NH2+]C1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000262057768 145257505 /nfs/dbraw/zinc/25/75/05/145257505.db2.gz QUKJRIYUURSDOK-WBVHZDCISA-N 2 2 321.852 2.377 10 0 DEAELP C[N@@H+](C[C@@]1(C)CC[NH2+]C1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000262057768 145257507 /nfs/dbraw/zinc/25/75/07/145257507.db2.gz QUKJRIYUURSDOK-WBVHZDCISA-N 2 2 321.852 2.377 10 0 DEAELP CCOc1ccccc1N1CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000262053660 145257943 /nfs/dbraw/zinc/25/79/43/145257943.db2.gz QLGBRPJWOIBBTP-SFHVURJKSA-N 2 2 303.450 2.207 10 0 DEAELP CC(C)Cn1cc[nH+]c1CNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000262667337 145298871 /nfs/dbraw/zinc/29/88/71/145298871.db2.gz KZZMAOWMGIONFB-ILXRZTDVSA-N 2 2 304.438 2.076 10 0 DEAELP CC[C@@H]1CN(c2cc(C)[nH+]c(C3CC3)n2)CC[N@@H+]1CCOC ZINC000116261035 401846692 /nfs/dbraw/zinc/84/66/92/401846692.db2.gz PTQTUTSTDIHBFK-OAHLLOKOSA-N 2 2 304.438 2.209 10 0 DEAELP CC[C@@H]1CN(c2cc(C)[nH+]c(C3CC3)n2)CC[N@H+]1CCOC ZINC000116261035 401846693 /nfs/dbraw/zinc/84/66/93/401846693.db2.gz PTQTUTSTDIHBFK-OAHLLOKOSA-N 2 2 304.438 2.209 10 0 DEAELP [NH3+]CC[N@H+](CCc1ccccc1)Cc1ccc2c(c1)OCCO2 ZINC000032227844 401877780 /nfs/dbraw/zinc/87/77/80/401877780.db2.gz XWEQNQZWNPKQHW-UHFFFAOYSA-N 2 2 312.413 2.461 10 0 DEAELP [NH3+]CC[N@@H+](CCc1ccccc1)Cc1ccc2c(c1)OCCO2 ZINC000032227844 401877781 /nfs/dbraw/zinc/87/77/81/401877781.db2.gz XWEQNQZWNPKQHW-UHFFFAOYSA-N 2 2 312.413 2.461 10 0 DEAELP CCC(C)(C)NC(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134879661 401917975 /nfs/dbraw/zinc/91/79/75/401917975.db2.gz ZOTXLGHWNPFLES-ZBFHGGJFSA-N 2 2 307.482 2.240 10 0 DEAELP CCC(C)(C)NC(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134879661 401917977 /nfs/dbraw/zinc/91/79/77/401917977.db2.gz ZOTXLGHWNPFLES-ZBFHGGJFSA-N 2 2 307.482 2.240 10 0 DEAELP CCC(C)(C)NC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134879661 401917981 /nfs/dbraw/zinc/91/79/81/401917981.db2.gz ZOTXLGHWNPFLES-ZBFHGGJFSA-N 2 2 307.482 2.240 10 0 DEAELP CCC(C)(C)NC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134879661 401917984 /nfs/dbraw/zinc/91/79/84/401917984.db2.gz ZOTXLGHWNPFLES-ZBFHGGJFSA-N 2 2 307.482 2.240 10 0 DEAELP COc1cc(Br)ccc1C[NH2+]CCC[NH+](C)C ZINC000136218665 401963070 /nfs/dbraw/zinc/96/30/70/401963070.db2.gz MGZRQHVORQVKBG-UHFFFAOYSA-N 2 2 301.228 2.499 10 0 DEAELP CCC(C)(CC)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000121131619 402017205 /nfs/dbraw/zinc/01/72/05/402017205.db2.gz WERDPKQORQAMQD-UHFFFAOYSA-N 2 2 324.513 2.423 10 0 DEAELP CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000151243516 402025096 /nfs/dbraw/zinc/02/50/96/402025096.db2.gz AYJRVYALBMOQBT-KBXCAEBGSA-N 2 2 319.449 2.142 10 0 DEAELP CC(C)n1nnnc1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000122112931 402061892 /nfs/dbraw/zinc/06/18/92/402061892.db2.gz WPLWMVNUCMAHQA-UHFFFAOYSA-N 2 2 320.485 2.342 10 0 DEAELP C[C@H]1C[C@H]([NH+](C)CC(=O)N2CCc3sccc3C2)CC[N@@H+]1C ZINC000123462914 402129390 /nfs/dbraw/zinc/12/93/90/402129390.db2.gz NUWCQTXDVOODJZ-DZGCQCFKSA-N 2 2 321.490 2.047 10 0 DEAELP C[C@H]1C[C@H]([NH+](C)CC(=O)N2CCc3sccc3C2)CC[N@H+]1C ZINC000123462914 402129392 /nfs/dbraw/zinc/12/93/92/402129392.db2.gz NUWCQTXDVOODJZ-DZGCQCFKSA-N 2 2 321.490 2.047 10 0 DEAELP C[C@H]1C[C@H]([N@H+](C)CC(=O)N2CCc3sccc3C2)CC[NH+]1C ZINC000123462914 402129394 /nfs/dbraw/zinc/12/93/94/402129394.db2.gz NUWCQTXDVOODJZ-DZGCQCFKSA-N 2 2 321.490 2.047 10 0 DEAELP C[C@H]1C[C@H]([N@@H+](C)CC(=O)N2CCc3sccc3C2)CC[NH+]1C ZINC000123462914 402129397 /nfs/dbraw/zinc/12/93/97/402129397.db2.gz NUWCQTXDVOODJZ-DZGCQCFKSA-N 2 2 321.490 2.047 10 0 DEAELP Cc1cnn(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000123894105 402153263 /nfs/dbraw/zinc/15/32/63/402153263.db2.gz QMHHBXKYQQGFSJ-FUHWJXTLSA-N 2 2 313.449 2.087 10 0 DEAELP Cc1cnn(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000123894105 402153265 /nfs/dbraw/zinc/15/32/65/402153265.db2.gz QMHHBXKYQQGFSJ-FUHWJXTLSA-N 2 2 313.449 2.087 10 0 DEAELP C[C@@H](NC(=O)[C@H](C)[N@H+](C)CCCn1cc[nH+]c1)c1ccccc1 ZINC000124319731 402174557 /nfs/dbraw/zinc/17/45/57/402174557.db2.gz ZDMATJKRADKLBF-CVEARBPZSA-N 2 2 314.433 2.471 10 0 DEAELP C[C@@H](NC(=O)[C@H](C)[N@@H+](C)CCCn1cc[nH+]c1)c1ccccc1 ZINC000124319731 402174559 /nfs/dbraw/zinc/17/45/59/402174559.db2.gz ZDMATJKRADKLBF-CVEARBPZSA-N 2 2 314.433 2.471 10 0 DEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000176321461 402299567 /nfs/dbraw/zinc/29/95/67/402299567.db2.gz RGFNIDRYSWWBBT-LSDHHAIUSA-N 2 2 321.469 2.211 10 0 DEAELP CCC[C@H](C(=O)N1CC[NH+](Cc2cccc(F)c2)CC1)[NH+](C)C ZINC000157999818 402300683 /nfs/dbraw/zinc/30/06/83/402300683.db2.gz VQHKZORLGKVAGA-QGZVFWFLSA-N 2 2 321.440 2.200 10 0 DEAELP CCC[C@H](C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)[NH+](C)C ZINC000161774184 402398697 /nfs/dbraw/zinc/39/86/97/402398697.db2.gz UQUKTGCIJMHBQK-MRXNPFEDSA-N 2 2 318.396 2.358 10 0 DEAELP Cc1nn(C)c2ncc(C[N@@H+]3CCC[C@H]3Cn3cc[nH+]c3C)cc12 ZINC000178303560 402482990 /nfs/dbraw/zinc/48/29/90/402482990.db2.gz XWWXDJQWFVOTEC-INIZCTEOSA-N 2 2 324.432 2.446 10 0 DEAELP Cc1nn(C)c2ncc(C[N@H+]3CCC[C@H]3Cn3cc[nH+]c3C)cc12 ZINC000178303560 402482991 /nfs/dbraw/zinc/48/29/91/402482991.db2.gz XWWXDJQWFVOTEC-INIZCTEOSA-N 2 2 324.432 2.446 10 0 DEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1nnc(C(C)C)n1C ZINC000178324294 402485357 /nfs/dbraw/zinc/48/53/57/402485357.db2.gz IVMALLUHRFBFEB-CQSZACIVSA-N 2 2 302.426 2.108 10 0 DEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1nnc(C(C)C)n1C ZINC000178324294 402485361 /nfs/dbraw/zinc/48/53/61/402485361.db2.gz IVMALLUHRFBFEB-CQSZACIVSA-N 2 2 302.426 2.108 10 0 DEAELP CCS(=O)(=O)CCCCC[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000190633190 402614926 /nfs/dbraw/zinc/61/49/26/402614926.db2.gz LEVGCPGNXIHVDX-CABCVRRESA-N 2 2 304.500 2.006 10 0 DEAELP CCS(=O)(=O)CCCCC[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000190633190 402614929 /nfs/dbraw/zinc/61/49/29/402614929.db2.gz LEVGCPGNXIHVDX-CABCVRRESA-N 2 2 304.500 2.006 10 0 DEAELP CCS(=O)(=O)CCCCC[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000190633190 402614932 /nfs/dbraw/zinc/61/49/32/402614932.db2.gz LEVGCPGNXIHVDX-CABCVRRESA-N 2 2 304.500 2.006 10 0 DEAELP CCS(=O)(=O)CCCCC[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000190633190 402614933 /nfs/dbraw/zinc/61/49/33/402614933.db2.gz LEVGCPGNXIHVDX-CABCVRRESA-N 2 2 304.500 2.006 10 0 DEAELP COc1ccnc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1OC ZINC000190641261 402615506 /nfs/dbraw/zinc/61/55/06/402615506.db2.gz BFKQNWVRMPFPGP-CQSZACIVSA-N 2 2 316.405 2.268 10 0 DEAELP COc1ccnc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1OC ZINC000190641261 402615509 /nfs/dbraw/zinc/61/55/09/402615509.db2.gz BFKQNWVRMPFPGP-CQSZACIVSA-N 2 2 316.405 2.268 10 0 DEAELP C[C@@H]([NH2+]CC(=O)NCc1ccco1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180659321 402622525 /nfs/dbraw/zinc/62/25/25/402622525.db2.gz ULRXETIXQLSRJI-CQSZACIVSA-N 2 2 324.384 2.432 10 0 DEAELP Cc1cccnc1CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182564121 402700164 /nfs/dbraw/zinc/70/01/64/402700164.db2.gz YSPJFCDUJZVJGB-JWTNVVGKSA-N 2 2 314.477 2.133 10 0 DEAELP Cc1cccnc1CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182564121 402700168 /nfs/dbraw/zinc/70/01/68/402700168.db2.gz YSPJFCDUJZVJGB-JWTNVVGKSA-N 2 2 314.477 2.133 10 0 DEAELP C[C@H]1[C@@H]([NH3+])CCN1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000333087791 403663282 /nfs/dbraw/zinc/66/32/82/403663282.db2.gz BWHMJYLLGQPYMA-AAEUAGOBSA-N 2 2 323.466 2.082 10 0 DEAELP [NH3+][C@@H]1CCC[C@@H]2CN(c3cc(N4CCCCC4)[nH+]cn3)C[C@@H]21 ZINC000333135439 403673886 /nfs/dbraw/zinc/67/38/86/403673886.db2.gz BMWYOTUVZDCIJL-QLFBSQMISA-N 2 2 301.438 2.031 10 0 DEAELP [NH3+][C@@H]1CCC[C@@H]2CN(c3cc(N4CCCCC4)nc[nH+]3)C[C@@H]21 ZINC000333135439 403673887 /nfs/dbraw/zinc/67/38/87/403673887.db2.gz BMWYOTUVZDCIJL-QLFBSQMISA-N 2 2 301.438 2.031 10 0 DEAELP Cc1nc(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc(N)[nH+]1 ZINC000310481750 403966524 /nfs/dbraw/zinc/96/65/24/403966524.db2.gz DZKBTPRDVUZVOY-HRCADAONSA-N 2 2 324.432 2.085 10 0 DEAELP Cc1nc(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nc(N)[nH+]1 ZINC000310481750 403966529 /nfs/dbraw/zinc/96/65/29/403966529.db2.gz DZKBTPRDVUZVOY-HRCADAONSA-N 2 2 324.432 2.085 10 0 DEAELP Cc1nc(N)nc(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)[nH+]1 ZINC000310481750 403966537 /nfs/dbraw/zinc/96/65/37/403966537.db2.gz DZKBTPRDVUZVOY-HRCADAONSA-N 2 2 324.432 2.085 10 0 DEAELP Cc1nc(N)nc(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)[nH+]1 ZINC000310481750 403966543 /nfs/dbraw/zinc/96/65/43/403966543.db2.gz DZKBTPRDVUZVOY-HRCADAONSA-N 2 2 324.432 2.085 10 0 DEAELP Cc1nc([C@@H](C)[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)no1 ZINC000330251721 404600616 /nfs/dbraw/zinc/60/06/16/404600616.db2.gz NRIGRMXAVJHSJA-HZSPNIEDSA-N 2 2 322.453 2.260 10 0 DEAELP Cc1nc([C@@H](C)[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)no1 ZINC000330251721 404600621 /nfs/dbraw/zinc/60/06/21/404600621.db2.gz NRIGRMXAVJHSJA-HZSPNIEDSA-N 2 2 322.453 2.260 10 0 DEAELP c1cc(OC[C@@H]2CCCO2)ccc1C[NH2+][C@H]1CCCC[NH2+]C1 ZINC000415065293 404799544 /nfs/dbraw/zinc/79/95/44/404799544.db2.gz FVDMXKUJSRFIPP-WMZOPIPTSA-N 2 2 304.434 2.476 10 0 DEAELP c1nnn(Cc2ccccc2)c1C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000568463911 292341617 /nfs/dbraw/zinc/34/16/17/292341617.db2.gz NKDDOZBXVAAEAH-UHFFFAOYSA-N 2 2 322.416 2.149 10 0 DEAELP c1cc(C[N@@H+]2C[C@@H]3C[C@H]2CS3)cc(C[NH+]2CCOCC2)c1 ZINC000420981026 405420710 /nfs/dbraw/zinc/42/07/10/405420710.db2.gz XSSOZOSUGMZKNA-IRXDYDNUSA-N 2 2 304.459 2.209 10 0 DEAELP c1cc(C[N@H+]2C[C@@H]3C[C@H]2CS3)cc(C[NH+]2CCOCC2)c1 ZINC000420981026 405420712 /nfs/dbraw/zinc/42/07/12/405420712.db2.gz XSSOZOSUGMZKNA-IRXDYDNUSA-N 2 2 304.459 2.209 10 0 DEAELP c1ccc([C@H]2CC[C@H](C[NH2+][C@H](C3CC3)[C@@H]3C[NH2+]CCO3)O2)cc1 ZINC000423119710 405701226 /nfs/dbraw/zinc/70/12/26/405701226.db2.gz DINSVBQGIDZOLM-AKHDSKFASA-N 2 2 316.445 2.263 10 0 DEAELP c1ccc([C@@H]2C[C@H]([NH2+]C3COCCOC3)CC[N@H+]2C2CC2)cc1 ZINC000639201803 405969332 /nfs/dbraw/zinc/96/93/32/405969332.db2.gz MVJFAYVFKQCPML-APWZRJJASA-N 2 2 316.445 2.360 10 0 DEAELP c1ccc([C@@H]2C[C@H]([NH2+]C3COCCOC3)CC[N@@H+]2C2CC2)cc1 ZINC000639201803 405969339 /nfs/dbraw/zinc/96/93/39/405969339.db2.gz MVJFAYVFKQCPML-APWZRJJASA-N 2 2 316.445 2.360 10 0 DEAELP COc1cc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)on1 ZINC000639323359 406046053 /nfs/dbraw/zinc/04/60/53/406046053.db2.gz BCZDVKLEWQCDDB-UHFFFAOYSA-N 2 2 301.390 2.437 10 0 DEAELP CCNc1nc(NCC[N@H+](C)CC)c(Br)c[nH+]1 ZINC000132837483 196289225 /nfs/dbraw/zinc/28/92/25/196289225.db2.gz MWKSQJOQWQWRRU-UHFFFAOYSA-N 2 2 302.220 2.035 10 0 DEAELP CCNc1nc(NCC[N@@H+](C)CC)c(Br)c[nH+]1 ZINC000132837483 196289227 /nfs/dbraw/zinc/28/92/27/196289227.db2.gz MWKSQJOQWQWRRU-UHFFFAOYSA-N 2 2 302.220 2.035 10 0 DEAELP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)C1 ZINC000261962800 287345033 /nfs/dbraw/zinc/34/50/33/287345033.db2.gz PSBSHNKOCUNRSM-XMTFNYHQSA-N 3 2 323.525 2.244 10 0 DEAELP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)C1 ZINC000261962800 287345035 /nfs/dbraw/zinc/34/50/35/287345035.db2.gz PSBSHNKOCUNRSM-XMTFNYHQSA-N 3 2 323.525 2.244 10 0 DEAELP c1[nH+]c2c(n1[C@H]1CC[N@@H+](Cc3nnc(C4CC4)o3)C1)CCCC2 ZINC000299746617 229388584 /nfs/dbraw/zinc/38/85/84/229388584.db2.gz YNTHLLSMOXGEAP-ZDUSSCGKSA-N 2 2 313.405 2.469 10 0 DEAELP c1[nH+]c2c(n1[C@H]1CC[N@H+](Cc3nnc(C4CC4)o3)C1)CCCC2 ZINC000299746617 229388588 /nfs/dbraw/zinc/38/85/88/229388588.db2.gz YNTHLLSMOXGEAP-ZDUSSCGKSA-N 2 2 313.405 2.469 10 0 DEAELP CCCc1noc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)n1 ZINC000105876367 424849524 /nfs/dbraw/zinc/84/95/24/424849524.db2.gz GPBYFOHHTDTQRM-UHFFFAOYSA-N 2 2 303.410 2.210 10 0 DEAELP Cc1nc(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)nc(N)[nH+]1 ZINC000379686928 424908159 /nfs/dbraw/zinc/90/81/59/424908159.db2.gz BYFJHDNUQYRWBW-SWLSCSKDSA-N 2 2 312.421 2.227 10 0 DEAELP Cc1nc(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)nc(N)[nH+]1 ZINC000379686928 424908162 /nfs/dbraw/zinc/90/81/62/424908162.db2.gz BYFJHDNUQYRWBW-SWLSCSKDSA-N 2 2 312.421 2.227 10 0 DEAELP Cc1nc(N)nc(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)[nH+]1 ZINC000379686928 424908164 /nfs/dbraw/zinc/90/81/64/424908164.db2.gz BYFJHDNUQYRWBW-SWLSCSKDSA-N 2 2 312.421 2.227 10 0 DEAELP Cc1nc(N)nc(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)[nH+]1 ZINC000379686928 424908166 /nfs/dbraw/zinc/90/81/66/424908166.db2.gz BYFJHDNUQYRWBW-SWLSCSKDSA-N 2 2 312.421 2.227 10 0 DEAELP c1coc(-c2noc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)n2)c1 ZINC000386969322 424912678 /nfs/dbraw/zinc/91/26/78/424912678.db2.gz XXXQQOPMIZSRTP-OLZOCXBDSA-N 2 2 302.378 2.294 10 0 DEAELP c1coc(-c2noc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)n2)c1 ZINC000386969322 424912681 /nfs/dbraw/zinc/91/26/81/424912681.db2.gz XXXQQOPMIZSRTP-OLZOCXBDSA-N 2 2 302.378 2.294 10 0 DEAELP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)[C@@H](C)C1 ZINC000370477424 276223329 /nfs/dbraw/zinc/22/33/29/276223329.db2.gz OKYMNRPZUHYNHW-GUTXKFCHSA-N 2 2 304.438 2.018 10 0 DEAELP CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)[C@@H](C)C1 ZINC000370477424 276223332 /nfs/dbraw/zinc/22/33/32/276223332.db2.gz OKYMNRPZUHYNHW-GUTXKFCHSA-N 2 2 304.438 2.018 10 0 DEAELP O=C1[C@@H]([N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)CCN1C1CC1 ZINC000361400146 280313557 /nfs/dbraw/zinc/31/35/57/280313557.db2.gz MBDYYGXKWZHHAB-WMZOPIPTSA-N 2 2 319.493 2.338 10 0 DEAELP O=C1[C@@H]([N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)CCN1C1CC1 ZINC000361400146 280313558 /nfs/dbraw/zinc/31/35/58/280313558.db2.gz MBDYYGXKWZHHAB-WMZOPIPTSA-N 2 2 319.493 2.338 10 0 DEAELP C[C@H](C(=O)N1CCCc2ccccc21)[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261711421 289281688 /nfs/dbraw/zinc/28/16/88/289281688.db2.gz MMXWUDPTUZIXTQ-RHSMWYFYSA-N 2 2 315.461 2.414 10 0 DEAELP C[C@H](C(=O)N1CCCc2ccccc21)[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261711421 289281691 /nfs/dbraw/zinc/28/16/91/289281691.db2.gz MMXWUDPTUZIXTQ-RHSMWYFYSA-N 2 2 315.461 2.414 10 0 DEAELP Cn1c[nH+]cc1CN(Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000261707363 303027108 /nfs/dbraw/zinc/02/71/08/303027108.db2.gz IMTXYFBONXQHHO-CQSZACIVSA-N 2 2 317.462 2.021 10 0 DEAELP C[C@H]1CCCN(c2cc(NC[C@H](C3CC3)[NH+](C)C)nc[nH+]2)C1 ZINC000301979281 534177155 /nfs/dbraw/zinc/17/71/55/534177155.db2.gz HGYFEPWEPSEEGP-DZGCQCFKSA-N 2 2 303.454 2.465 10 0 DEAELP CCCCCC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000154504369 519924151 /nfs/dbraw/zinc/92/41/51/519924151.db2.gz TUMXUMRZPRVBIY-SJPCQFCGSA-N 2 2 307.482 2.336 10 0 DEAELP CCCCCC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000154504369 519924155 /nfs/dbraw/zinc/92/41/55/519924155.db2.gz TUMXUMRZPRVBIY-SJPCQFCGSA-N 2 2 307.482 2.336 10 0 DEAELP c1nc(N2CCC(C[NH+]3CCCC3)CC2)cc(NC2CC2)[nH+]1 ZINC000413060813 534531418 /nfs/dbraw/zinc/53/14/18/534531418.db2.gz LRVPMVPPCAAYKP-UHFFFAOYSA-N 2 2 301.438 2.363 10 0 DEAELP c1nc(NC2CC2)cc(N2CCC(C[NH+]3CCCC3)CC2)[nH+]1 ZINC000413060813 534531423 /nfs/dbraw/zinc/53/14/23/534531423.db2.gz LRVPMVPPCAAYKP-UHFFFAOYSA-N 2 2 301.438 2.363 10 0 DEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@@H](O)CC(F)(F)F)C1 ZINC000248867179 536173682 /nfs/dbraw/zinc/17/36/82/536173682.db2.gz BCIAMICAYRAERD-NEPJUHHUSA-N 2 2 305.344 2.396 10 0 DEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@@H](O)CC(F)(F)F)C1 ZINC000248867179 536173687 /nfs/dbraw/zinc/17/36/87/536173687.db2.gz BCIAMICAYRAERD-NEPJUHHUSA-N 2 2 305.344 2.396 10 0 DEAELP COc1ccc(-c2nc(C[N@H+]3C[C@H]4C[NH+](C)C[C@H]4C3)co2)cc1 ZINC000193655036 536515788 /nfs/dbraw/zinc/51/57/88/536515788.db2.gz INURRJWUYMKKCD-GASCZTMLSA-N 2 2 313.401 2.344 10 0 DEAELP COc1ccc(-c2nc(C[N@@H+]3C[C@H]4C[NH+](C)C[C@H]4C3)co2)cc1 ZINC000193655036 536515791 /nfs/dbraw/zinc/51/57/91/536515791.db2.gz INURRJWUYMKKCD-GASCZTMLSA-N 2 2 313.401 2.344 10 0 DEAELP COc1ccc(-c2nc(C[NH+]3C[C@H]4C[N@@H+](C)C[C@H]4C3)co2)cc1 ZINC000193655036 536515797 /nfs/dbraw/zinc/51/57/97/536515797.db2.gz INURRJWUYMKKCD-GASCZTMLSA-N 2 2 313.401 2.344 10 0 DEAELP COc1ccc(-c2nc(C[NH+]3C[C@H]4C[N@H+](C)C[C@H]4C3)co2)cc1 ZINC000193655036 536515803 /nfs/dbraw/zinc/51/58/03/536515803.db2.gz INURRJWUYMKKCD-GASCZTMLSA-N 2 2 313.401 2.344 10 0 DEAELP COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000261871283 536801703 /nfs/dbraw/zinc/80/17/03/536801703.db2.gz SYLJTESCAGWRSA-IUODEOHRSA-N 2 2 305.422 2.081 10 0 DEAELP COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000261871283 536801709 /nfs/dbraw/zinc/80/17/09/536801709.db2.gz SYLJTESCAGWRSA-IUODEOHRSA-N 2 2 305.422 2.081 10 0 DEAELP NC(=O)[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000299740780 563938542 /nfs/dbraw/zinc/93/85/42/563938542.db2.gz BSDBPGZMNFATQQ-CRAIPNDOSA-N 2 2 324.428 2.235 10 0 DEAELP NC(=O)[C@@H](c1ccccc1)[N@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000299740780 563938543 /nfs/dbraw/zinc/93/85/43/563938543.db2.gz BSDBPGZMNFATQQ-CRAIPNDOSA-N 2 2 324.428 2.235 10 0 DEAELP c1ccc(C[N@H+]2C[C@H]3C[C@@H](C2)C3[NH2+][C@H]2CCN(C3CC3)C2)cc1 ZINC000399708909 635782544 /nfs/dbraw/zinc/78/25/44/635782544.db2.gz XECORZRVVDNSAQ-JTUYAUNFSA-N 2 2 311.473 2.333 10 0 DEAELP c1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)C3[NH2+][C@H]2CCN(C3CC3)C2)cc1 ZINC000399708909 635782549 /nfs/dbraw/zinc/78/25/49/635782549.db2.gz XECORZRVVDNSAQ-JTUYAUNFSA-N 2 2 311.473 2.333 10 0 DEAELP C[C@@H](CCCO)[NH2+][C@H](C[NH3+])c1cc(Br)cs1 ZINC000087359041 185222710 /nfs/dbraw/zinc/22/27/10/185222710.db2.gz DEIVRAXOCALZIV-WCBMZHEXSA-N 2 2 307.257 2.261 10 0 DEAELP C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000180238674 282235997 /nfs/dbraw/zinc/23/59/97/282235997.db2.gz ONRGMRSDCFEJLH-QLFBSQMISA-N 2 2 311.470 2.316 10 0 DEAELP C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000180238674 282235999 /nfs/dbraw/zinc/23/59/99/282235999.db2.gz ONRGMRSDCFEJLH-QLFBSQMISA-N 2 2 311.470 2.316 10 0 DEAELP C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1cccc(Cl)c1-n1cc[nH+]c1 ZINC000092951635 185350464 /nfs/dbraw/zinc/35/04/64/185350464.db2.gz BQFYHOGHMUTITN-GHMZBOCLSA-N 2 2 304.781 2.462 10 0 DEAELP C[N@H+](C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)[C@@H]1CCCC[C@@H]1O ZINC000328649779 529955125 /nfs/dbraw/zinc/95/51/25/529955125.db2.gz VCHNCXOESHLYPT-MHORFTMASA-N 2 2 303.450 2.310 10 0 DEAELP C[N@@H+](C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)[C@@H]1CCCC[C@@H]1O ZINC000328649779 529955127 /nfs/dbraw/zinc/95/51/27/529955127.db2.gz VCHNCXOESHLYPT-MHORFTMASA-N 2 2 303.450 2.310 10 0 DEAELP C[NH+](C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)[C@@H]1CCCC[C@@H]1O ZINC000328649779 529955128 /nfs/dbraw/zinc/95/51/28/529955128.db2.gz VCHNCXOESHLYPT-MHORFTMASA-N 2 2 303.450 2.310 10 0 DEAELP C[NH+](C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)[C@@H]1CCCC[C@@H]1O ZINC000328649779 529955129 /nfs/dbraw/zinc/95/51/29/529955129.db2.gz VCHNCXOESHLYPT-MHORFTMASA-N 2 2 303.450 2.310 10 0 DEAELP C[N@H+](C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)[C@@H]1CCCC[C@H]1O ZINC000328649780 529955136 /nfs/dbraw/zinc/95/51/36/529955136.db2.gz VCHNCXOESHLYPT-MLHJIOFPSA-N 2 2 303.450 2.310 10 0 DEAELP C[N@@H+](C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)[C@@H]1CCCC[C@H]1O ZINC000328649780 529955137 /nfs/dbraw/zinc/95/51/37/529955137.db2.gz VCHNCXOESHLYPT-MLHJIOFPSA-N 2 2 303.450 2.310 10 0 DEAELP C[NH+](C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)[C@@H]1CCCC[C@H]1O ZINC000328649780 529955139 /nfs/dbraw/zinc/95/51/39/529955139.db2.gz VCHNCXOESHLYPT-MLHJIOFPSA-N 2 2 303.450 2.310 10 0 DEAELP C[NH+](C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)[C@@H]1CCCC[C@H]1O ZINC000328649780 529955140 /nfs/dbraw/zinc/95/51/40/529955140.db2.gz VCHNCXOESHLYPT-MLHJIOFPSA-N 2 2 303.450 2.310 10 0 DEAELP COc1cc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)cc2c1OCO2 ZINC000188415171 539682333 /nfs/dbraw/zinc/68/23/33/539682333.db2.gz IRMPPCCTXDCQMQ-AWEZNQCLSA-N 2 2 315.373 2.285 10 0 DEAELP CC[C@H]([NH3+])[C@@H](c1ccc(C)s1)[NH+]1CCC(NC(C)=O)CC1 ZINC000133704843 186008813 /nfs/dbraw/zinc/00/88/13/186008813.db2.gz QOCIHWHZHIFPLE-HOCLYGCPSA-N 2 2 309.479 2.435 10 0 DEAELP Brc1cc(C[NH2+]CCc2[nH]cc[nH+]2)cc2c1OCO2 ZINC000139125211 186020036 /nfs/dbraw/zinc/02/00/36/186020036.db2.gz UDCHJNGQGKTQHQ-UHFFFAOYSA-N 2 2 324.178 2.233 10 0 DEAELP CCNc1cc(N2CC[NH+](CC(C)C)CC2)nc(SC)[nH+]1 ZINC000149168358 186048017 /nfs/dbraw/zinc/04/80/17/186048017.db2.gz BZTPAAOGCFAPFS-UHFFFAOYSA-N 2 2 309.483 2.408 10 0 DEAELP CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)C[C@@H]1CCC[C@H]1[NH3+])C2 ZINC000261871783 539787854 /nfs/dbraw/zinc/78/78/54/539787854.db2.gz XYGKRCOUNKCGJT-BFHYXJOUSA-N 2 2 318.465 2.129 10 0 DEAELP Cc1nc(N2CCC[C@H]2C[NH+](C)C)c(Br)c(C)[nH+]1 ZINC000323190583 539905305 /nfs/dbraw/zinc/90/53/05/539905305.db2.gz MGYDWFGFGMXXTF-NSHDSACASA-N 2 2 313.243 2.386 10 0 DEAELP [NH3+]C[C@@H]1CCCN1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000333198944 539951251 /nfs/dbraw/zinc/95/12/51/539951251.db2.gz WZRNMVSSQBKYHQ-ZDUSSCGKSA-N 2 2 323.466 2.084 10 0 DEAELP COc1cc(F)ccc1N1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000183179181 356162255 /nfs/dbraw/zinc/16/22/55/356162255.db2.gz RELNIGPJVHCTRY-UHFFFAOYSA-N 2 2 318.396 2.243 10 0 DEAELP CC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCN(C(=O)OCc3ccccc3)C2)C1 ZINC000401950204 283162149 /nfs/dbraw/zinc/16/21/49/283162149.db2.gz UDYKXRHWRSONBN-IAGOWNOFSA-N 2 2 317.433 2.081 10 0 DEAELP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCN(C(=O)OCc3ccccc3)C2)C1 ZINC000401950204 283162152 /nfs/dbraw/zinc/16/21/52/283162152.db2.gz UDYKXRHWRSONBN-IAGOWNOFSA-N 2 2 317.433 2.081 10 0 DEAELP CCCCOC[C@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000393926508 356713229 /nfs/dbraw/zinc/71/32/29/356713229.db2.gz HEZPJYOHQDJBCG-QRQLOZEOSA-N 2 2 320.477 2.417 10 0 DEAELP CCCCOC[C@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000393926508 356713233 /nfs/dbraw/zinc/71/32/33/356713233.db2.gz HEZPJYOHQDJBCG-QRQLOZEOSA-N 2 2 320.477 2.417 10 0 DEAELP C[C@@H](NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)C1CC[NH+](C)CC1 ZINC000606701375 361034842 /nfs/dbraw/zinc/03/48/42/361034842.db2.gz BIXMNHHKWMOPLJ-CYBMUJFWSA-N 2 2 319.453 2.029 10 0 DEAELP Cc1ncc(C[N@@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)o1 ZINC000628242577 366780598 /nfs/dbraw/zinc/78/05/98/366780598.db2.gz KKJWQOLYRHKJDH-SFHVURJKSA-N 2 2 315.417 2.052 10 0 DEAELP Cc1ncc(C[N@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)o1 ZINC000628242577 366780605 /nfs/dbraw/zinc/78/06/05/366780605.db2.gz KKJWQOLYRHKJDH-SFHVURJKSA-N 2 2 315.417 2.052 10 0 DEAELP Cc1ncc(C[NH+](C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)o1 ZINC000628242577 366780613 /nfs/dbraw/zinc/78/06/13/366780613.db2.gz KKJWQOLYRHKJDH-SFHVURJKSA-N 2 2 315.417 2.052 10 0 DEAELP Cc1ncc(C[NH+](C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000628242577 366780619 /nfs/dbraw/zinc/78/06/19/366780619.db2.gz KKJWQOLYRHKJDH-SFHVURJKSA-N 2 2 315.417 2.052 10 0 DEAELP [NH3+]C[C@@H](CC(=O)N1CCCC1)[N@H+](Cc1ccsc1)C1CC1 ZINC000091323391 193040510 /nfs/dbraw/zinc/04/05/10/193040510.db2.gz BSRPHKPMMWQLFZ-OAHLLOKOSA-N 2 2 307.463 2.052 10 0 DEAELP [NH3+]C[C@@H](CC(=O)N1CCCC1)[N@@H+](Cc1ccsc1)C1CC1 ZINC000091323391 193040515 /nfs/dbraw/zinc/04/05/15/193040515.db2.gz BSRPHKPMMWQLFZ-OAHLLOKOSA-N 2 2 307.463 2.052 10 0 DEAELP CC(C)(C)NC(=O)C[C@H](C[NH3+])[N@H+](Cc1ccsc1)C1CC1 ZINC000091321230 193040854 /nfs/dbraw/zinc/04/08/54/193040854.db2.gz ABVAKGAEBBMOIY-CQSZACIVSA-N 2 2 309.479 2.345 10 0 DEAELP CC(C)(C)NC(=O)C[C@H](C[NH3+])[N@@H+](Cc1ccsc1)C1CC1 ZINC000091321230 193040857 /nfs/dbraw/zinc/04/08/57/193040857.db2.gz ABVAKGAEBBMOIY-CQSZACIVSA-N 2 2 309.479 2.345 10 0 DEAELP C[N@H+](CC1CC(O)C1)[C@H](C[NH3+])c1ccc(Br)cc1 ZINC000091464238 193059279 /nfs/dbraw/zinc/05/92/79/193059279.db2.gz KPLIRLVIEAODPZ-UZANAETPSA-N 2 2 313.239 2.152 10 0 DEAELP C[N@@H+](CC1CC(O)C1)[C@H](C[NH3+])c1ccc(Br)cc1 ZINC000091464238 193059281 /nfs/dbraw/zinc/05/92/81/193059281.db2.gz KPLIRLVIEAODPZ-UZANAETPSA-N 2 2 313.239 2.152 10 0 DEAELP COCC[N@H+](C)[C@H](C[NH3+])c1ccc(Br)c(C)c1 ZINC000091470754 193060505 /nfs/dbraw/zinc/06/05/05/193060505.db2.gz BMXAPCFILAQHFV-CYBMUJFWSA-N 2 2 301.228 2.336 10 0 DEAELP COCC[N@@H+](C)[C@H](C[NH3+])c1ccc(Br)c(C)c1 ZINC000091470754 193060507 /nfs/dbraw/zinc/06/05/07/193060507.db2.gz BMXAPCFILAQHFV-CYBMUJFWSA-N 2 2 301.228 2.336 10 0 DEAELP CC[NH2+][C@@H](Cc1c(Br)c(C)nn1CC)C[NH+](C)C ZINC000091719764 193096847 /nfs/dbraw/zinc/09/68/47/193096847.db2.gz XKAOBHYZJANUBL-NSHDSACASA-N 2 2 317.275 2.056 10 0 DEAELP c1ccc(-c2noc(CC[N@@H+]3CCC[C@H]4C[NH2+]CC[C@@H]43)n2)cc1 ZINC000631886119 368440995 /nfs/dbraw/zinc/44/09/95/368440995.db2.gz FXIXDTLOETZCDI-HOTGVXAUSA-N 2 2 312.417 2.353 10 0 DEAELP c1ccc(-c2noc(CC[N@H+]3CCC[C@H]4C[NH2+]CC[C@@H]43)n2)cc1 ZINC000631886119 368440999 /nfs/dbraw/zinc/44/09/99/368440999.db2.gz FXIXDTLOETZCDI-HOTGVXAUSA-N 2 2 312.417 2.353 10 0 DEAELP Cc1ncsc1C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000093148092 193207881 /nfs/dbraw/zinc/20/78/81/193207881.db2.gz LSBZYKMKXPPLDP-OAHLLOKOSA-N 2 2 308.495 2.053 10 0 DEAELP Cc1ncsc1C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000093148092 193207883 /nfs/dbraw/zinc/20/78/83/193207883.db2.gz LSBZYKMKXPPLDP-OAHLLOKOSA-N 2 2 308.495 2.053 10 0 DEAELP [NH3+][C@H](Cc1nc2ccccc2s1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000094251529 193355083 /nfs/dbraw/zinc/35/50/83/193355083.db2.gz SNEWBGROWTUJNA-BZPMIXESSA-N 2 2 303.431 2.029 10 0 DEAELP [NH3+][C@H](Cc1nc2ccccc2s1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000094251529 193355085 /nfs/dbraw/zinc/35/50/85/193355085.db2.gz SNEWBGROWTUJNA-BZPMIXESSA-N 2 2 303.431 2.029 10 0 DEAELP CCC[NH2+][C@H](Cc1ccccc1Cl)[C@H]1C[NH+]2CCN1CC2 ZINC000094510759 193375957 /nfs/dbraw/zinc/37/59/57/193375957.db2.gz CIGLTSIMPSLQMV-IAGOWNOFSA-N 2 2 307.869 2.251 10 0 DEAELP COCCC[N@H+](CCOC)[C@@H](C[NH3+])c1cc(C)sc1C ZINC000042420835 183268162 /nfs/dbraw/zinc/26/81/62/183268162.db2.gz BPHDXFPXHOWFDJ-HNNXBMFYSA-N 2 2 300.468 2.350 10 0 DEAELP COCCC[N@@H+](CCOC)[C@@H](C[NH3+])c1cc(C)sc1C ZINC000042420835 183268165 /nfs/dbraw/zinc/26/81/65/183268165.db2.gz BPHDXFPXHOWFDJ-HNNXBMFYSA-N 2 2 300.468 2.350 10 0 DEAELP CC[C@H]([NH3+])[C@@H](c1ccc(Cl)cc1)[NH+]1CCC(C(N)=O)CC1 ZINC000042944570 183319632 /nfs/dbraw/zinc/31/96/32/183319632.db2.gz ULXRXZYXVMZHBZ-LSDHHAIUSA-N 2 2 309.841 2.316 10 0 DEAELP CC[C@H]([NH3+])[C@H](c1ccc(Cl)cc1)[NH+]1CCC(C(N)=O)CC1 ZINC000042944574 183319732 /nfs/dbraw/zinc/31/97/32/183319732.db2.gz ULXRXZYXVMZHBZ-GJZGRUSLSA-N 2 2 309.841 2.316 10 0 DEAELP CC[C@@H]([NH3+])[C@@H](c1cccc(Br)c1)[N@H+](C)CCO ZINC000043021010 183329718 /nfs/dbraw/zinc/32/97/18/183329718.db2.gz QIXXUEGVJNZVTH-CHWSQXEVSA-N 2 2 301.228 2.152 10 0 DEAELP CC[C@@H]([NH3+])[C@@H](c1cccc(Br)c1)[N@@H+](C)CCO ZINC000043021010 183329719 /nfs/dbraw/zinc/32/97/19/183329719.db2.gz QIXXUEGVJNZVTH-CHWSQXEVSA-N 2 2 301.228 2.152 10 0 DEAELP CCc1nc(N2CCn3cc[nH+]c3C2)sc1C[NH2+]C(C)C ZINC000062328110 184231281 /nfs/dbraw/zinc/23/12/81/184231281.db2.gz WDYDRKJPSHFZQZ-UHFFFAOYSA-N 2 2 305.451 2.420 10 0 DEAELP CNc1[nH+]cnc2c1cnn2CC[N@H+](C)Cc1ccc(F)cc1 ZINC000194429038 533089660 /nfs/dbraw/zinc/08/96/60/533089660.db2.gz JRDJNDMLANJLBE-UHFFFAOYSA-N 2 2 314.368 2.139 10 0 DEAELP CNc1[nH+]cnc2c1cnn2CC[N@@H+](C)Cc1ccc(F)cc1 ZINC000194429038 533089662 /nfs/dbraw/zinc/08/96/62/533089662.db2.gz JRDJNDMLANJLBE-UHFFFAOYSA-N 2 2 314.368 2.139 10 0 DEAELP c1[nH]c(C2CC[NH+](Cc3cn(-c4ccccc4)nn3)CC2)c[nH+]1 ZINC000353920846 133011646 /nfs/dbraw/zinc/01/16/46/133011646.db2.gz BGKWMUOGNDMROY-UHFFFAOYSA-N 2 2 308.389 2.370 10 0 DEAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCOc1cccc(Br)c1 ZINC000358012888 133115574 /nfs/dbraw/zinc/11/55/74/133115574.db2.gz BLEMAXFWQHMZOC-RISCZKNCSA-N 2 2 313.239 2.368 10 0 DEAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCOc1cccc(Br)c1 ZINC000358012888 133115575 /nfs/dbraw/zinc/11/55/75/133115575.db2.gz BLEMAXFWQHMZOC-RISCZKNCSA-N 2 2 313.239 2.368 10 0 DEAELP O=C(N[C@H]1CCn2cc[nH+]c2C1)c1cccc(C[NH+]2CCCC2)c1 ZINC000548310886 285716158 /nfs/dbraw/zinc/71/61/58/285716158.db2.gz ZJJSGOZDYOQYSQ-KRWDZBQOSA-N 2 2 324.428 2.224 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCC[NH+]1CCCCC1)C2 ZINC000364627966 404477101 /nfs/dbraw/zinc/47/71/01/404477101.db2.gz ANNSAQICKXDEIC-CQSZACIVSA-N 2 2 318.465 2.240 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCC[NH+]1CCCCC1)C2 ZINC000364627965 404477186 /nfs/dbraw/zinc/47/71/86/404477186.db2.gz ANNSAQICKXDEIC-AWEZNQCLSA-N 2 2 318.465 2.240 10 0 DEAELP CSc1cccc(NC(=O)[C@@H](C)[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1 ZINC000193602123 145088020 /nfs/dbraw/zinc/08/80/20/145088020.db2.gz NFYXGLQLTCTLMU-MCIONIFRSA-N 2 2 319.474 2.229 10 0 DEAELP CSc1cccc(NC(=O)[C@@H](C)[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1 ZINC000193602123 145088022 /nfs/dbraw/zinc/08/80/22/145088022.db2.gz NFYXGLQLTCTLMU-MCIONIFRSA-N 2 2 319.474 2.229 10 0 DEAELP CSc1cccc(NC(=O)[C@@H](C)[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c1 ZINC000193602123 145088024 /nfs/dbraw/zinc/08/80/24/145088024.db2.gz NFYXGLQLTCTLMU-MCIONIFRSA-N 2 2 319.474 2.229 10 0 DEAELP CSc1cccc(NC(=O)[C@@H](C)[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c1 ZINC000193602123 145088026 /nfs/dbraw/zinc/08/80/26/145088026.db2.gz NFYXGLQLTCTLMU-MCIONIFRSA-N 2 2 319.474 2.229 10 0 DEAELP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[N@@H+]2CC)C12CCOCC2 ZINC000248907276 145174006 /nfs/dbraw/zinc/17/40/06/145174006.db2.gz BJUSWLLHUFAGHO-IXDOHACOSA-N 2 2 310.482 2.425 10 0 DEAELP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[N@H+]2CC)C12CCOCC2 ZINC000248907276 145174008 /nfs/dbraw/zinc/17/40/08/145174008.db2.gz BJUSWLLHUFAGHO-IXDOHACOSA-N 2 2 310.482 2.425 10 0 DEAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(CCO)CC1 ZINC000249873178 145190718 /nfs/dbraw/zinc/19/07/18/145190718.db2.gz GKNAYFWTMGSYRO-NVXWUHKLSA-N 2 2 303.450 2.044 10 0 DEAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(CCO)CC1 ZINC000249873178 145190720 /nfs/dbraw/zinc/19/07/20/145190720.db2.gz GKNAYFWTMGSYRO-NVXWUHKLSA-N 2 2 303.450 2.044 10 0 DEAELP Cc1ccccc1CCNC(=O)[C@H](C)[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261615232 145210683 /nfs/dbraw/zinc/21/06/83/145210683.db2.gz CSEJTROIMATASN-RDJZCZTQSA-N 2 2 317.477 2.101 10 0 DEAELP Cc1ccccc1CCNC(=O)[C@H](C)[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261615232 145210684 /nfs/dbraw/zinc/21/06/84/145210684.db2.gz CSEJTROIMATASN-RDJZCZTQSA-N 2 2 317.477 2.101 10 0 DEAELP COc1ccc(C[N@H+](Cc2noc(C[NH3+])n2)[C@H](C)C2CC2)cc1 ZINC000261619916 145211068 /nfs/dbraw/zinc/21/10/68/145211068.db2.gz CUTPFCUDZYNFMT-GFCCVEGCSA-N 2 2 316.405 2.338 10 0 DEAELP COc1ccc(C[N@@H+](Cc2noc(C[NH3+])n2)[C@H](C)C2CC2)cc1 ZINC000261619916 145211071 /nfs/dbraw/zinc/21/10/71/145211071.db2.gz CUTPFCUDZYNFMT-GFCCVEGCSA-N 2 2 316.405 2.338 10 0 DEAELP C[N@H+](CC(=O)N1CCC[C@@H]2CCCC[C@H]21)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261653242 145213478 /nfs/dbraw/zinc/21/34/78/145213478.db2.gz FOLMOYHRCPMHKL-HVVXOQGOSA-N 2 2 319.493 2.382 10 0 DEAELP C[N@@H+](CC(=O)N1CCC[C@@H]2CCCC[C@H]21)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261653242 145213481 /nfs/dbraw/zinc/21/34/81/145213481.db2.gz FOLMOYHRCPMHKL-HVVXOQGOSA-N 2 2 319.493 2.382 10 0 DEAELP CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261652080 145213666 /nfs/dbraw/zinc/21/36/66/145213666.db2.gz HMQSZEBEHSZWCN-JKSUJKDBSA-N 2 2 319.449 2.472 10 0 DEAELP CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261652080 145213667 /nfs/dbraw/zinc/21/36/67/145213667.db2.gz HMQSZEBEHSZWCN-JKSUJKDBSA-N 2 2 319.449 2.472 10 0 DEAELP C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261790737 145226470 /nfs/dbraw/zinc/22/64/70/145226470.db2.gz NMMKSLSHCNJYTJ-DOMZBBRYSA-N 2 2 323.868 2.404 10 0 DEAELP C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261790737 145226473 /nfs/dbraw/zinc/22/64/73/145226473.db2.gz NMMKSLSHCNJYTJ-DOMZBBRYSA-N 2 2 323.868 2.404 10 0 DEAELP CC1(C)C[N@H+](CC(=O)NC2(c3ccccc3)CCC2)CC[C@@H]1[NH3+] ZINC000261796280 145227313 /nfs/dbraw/zinc/22/73/13/145227313.db2.gz VLCAIYIMAFBZIO-INIZCTEOSA-N 2 2 315.461 2.241 10 0 DEAELP CC1(C)C[N@@H+](CC(=O)NC2(c3ccccc3)CCC2)CC[C@@H]1[NH3+] ZINC000261796280 145227314 /nfs/dbraw/zinc/22/73/14/145227314.db2.gz VLCAIYIMAFBZIO-INIZCTEOSA-N 2 2 315.461 2.241 10 0 DEAELP CC1(C)C[N@@H+]([C@H](C(=O)NC2CC2)c2ccccc2)CC[C@H]1[NH3+] ZINC000261802511 145228472 /nfs/dbraw/zinc/22/84/72/145228472.db2.gz VYQLTCNXLPXHHG-CVEARBPZSA-N 2 2 301.434 2.066 10 0 DEAELP CC1(C)C[N@H+]([C@H](C(=O)NC2CC2)c2ccccc2)CC[C@H]1[NH3+] ZINC000261802511 145228475 /nfs/dbraw/zinc/22/84/75/145228475.db2.gz VYQLTCNXLPXHHG-CVEARBPZSA-N 2 2 301.434 2.066 10 0 DEAELP C[C@H]([NH3+])CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000261858361 145234563 /nfs/dbraw/zinc/23/45/63/145234563.db2.gz PLXRHIDIGVAKFD-STQMWFEESA-N 2 2 309.841 2.283 10 0 DEAELP C[C@H](C(=O)Nc1ccc(Cl)cn1)[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261886303 145238131 /nfs/dbraw/zinc/23/81/31/145238131.db2.gz VDBROJKLYIUWMX-ZYHUDNBSSA-N 2 2 310.829 2.121 10 0 DEAELP C[C@H](C(=O)Nc1ccc(Cl)cn1)[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261886303 145238132 /nfs/dbraw/zinc/23/81/32/145238132.db2.gz VDBROJKLYIUWMX-ZYHUDNBSSA-N 2 2 310.829 2.121 10 0 DEAELP CCC[N@H+](Cc1ccc2c(c1)sc(=O)n2C)[C@@H]1CC[NH2+]C1 ZINC000261919692 145242121 /nfs/dbraw/zinc/24/21/21/145242121.db2.gz KGDGXZSXTOUEMY-CYBMUJFWSA-N 2 2 305.447 2.174 10 0 DEAELP CCC[N@@H+](Cc1ccc2c(c1)sc(=O)n2C)[C@@H]1CC[NH2+]C1 ZINC000261919692 145242122 /nfs/dbraw/zinc/24/21/22/145242122.db2.gz KGDGXZSXTOUEMY-CYBMUJFWSA-N 2 2 305.447 2.174 10 0 DEAELP CC[N@H+](C[C@]1(C)CC[NH2+]C1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000262089212 145260675 /nfs/dbraw/zinc/26/06/75/145260675.db2.gz UPNAAGFYTQNJLU-SJLPKXTDSA-N 2 2 301.434 2.113 10 0 DEAELP CC[N@@H+](C[C@]1(C)CC[NH2+]C1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000262089212 145260678 /nfs/dbraw/zinc/26/06/78/145260678.db2.gz UPNAAGFYTQNJLU-SJLPKXTDSA-N 2 2 301.434 2.113 10 0 DEAELP CCc1nc(C[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)no1 ZINC000111212993 401701462 /nfs/dbraw/zinc/70/14/62/401701462.db2.gz GGPYHGWXFMGAJU-ZDUSSCGKSA-N 2 2 301.394 2.269 10 0 DEAELP CCc1nc(C[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)no1 ZINC000111212993 401701463 /nfs/dbraw/zinc/70/14/63/401701463.db2.gz GGPYHGWXFMGAJU-ZDUSSCGKSA-N 2 2 301.394 2.269 10 0 DEAELP Cc1[nH+]cc(C[NH2+]CC[C@@H](C)[S@@](C)=O)n1-c1ccccc1 ZINC000129318096 401802435 /nfs/dbraw/zinc/80/24/35/401802435.db2.gz GMESAEGRBBTVBC-ASSNKEHSSA-N 2 2 305.447 2.427 10 0 DEAELP CC(C)(C)OC(=O)N1C[C@H]([NH3+])[C@@H](c2[nH+]ccc3[nH]ccc32)C1 ZINC000089220769 401938618 /nfs/dbraw/zinc/93/86/18/401938618.db2.gz VCNPCIVVKYWICT-RYUDHWBXSA-N 2 2 302.378 2.225 10 0 DEAELP COc1ccccc1/C=C/C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000093664725 402018594 /nfs/dbraw/zinc/01/85/94/402018594.db2.gz ROUXVKOZFKLDMQ-YXMMZVCTSA-N 2 2 316.445 2.363 10 0 DEAELP COc1ccccc1/C=C/C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000093664725 402018597 /nfs/dbraw/zinc/01/85/97/402018597.db2.gz ROUXVKOZFKLDMQ-YXMMZVCTSA-N 2 2 316.445 2.363 10 0 DEAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+](C)C[C@@H]3CCCO3)c2cc1C ZINC000052103363 402039490 /nfs/dbraw/zinc/03/94/90/402039490.db2.gz LBVVVBIGAGAEFM-CVEARBPZSA-N 2 2 317.433 2.125 10 0 DEAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+](C)C[C@@H]3CCCO3)c2cc1C ZINC000052103363 402039491 /nfs/dbraw/zinc/03/94/91/402039491.db2.gz LBVVVBIGAGAEFM-CVEARBPZSA-N 2 2 317.433 2.125 10 0 DEAELP C[NH+](C)[C@@H]1CC[C@H](NC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)C1 ZINC000092329765 402003544 /nfs/dbraw/zinc/00/35/44/402003544.db2.gz FUQRRJZYHWRYQD-BFHYXJOUSA-N 2 2 305.426 2.129 10 0 DEAELP C[C@@H]1C[C@H]([NH+](C)CC(=O)N(C)Cc2ccccc2)CC[N@@H+]1C ZINC000123146148 402113708 /nfs/dbraw/zinc/11/37/08/402113708.db2.gz WCSAJCRNVBGWRY-NVXWUHKLSA-N 2 2 303.450 2.060 10 0 DEAELP C[C@@H]1C[C@H]([NH+](C)CC(=O)N(C)Cc2ccccc2)CC[N@H+]1C ZINC000123146148 402113710 /nfs/dbraw/zinc/11/37/10/402113710.db2.gz WCSAJCRNVBGWRY-NVXWUHKLSA-N 2 2 303.450 2.060 10 0 DEAELP C[C@@H]1C[C@H]([N@H+](C)CC(=O)N(C)Cc2ccccc2)CC[NH+]1C ZINC000123146148 402113713 /nfs/dbraw/zinc/11/37/13/402113713.db2.gz WCSAJCRNVBGWRY-NVXWUHKLSA-N 2 2 303.450 2.060 10 0 DEAELP C[C@@H]1C[C@H]([N@@H+](C)CC(=O)N(C)Cc2ccccc2)CC[NH+]1C ZINC000123146148 402113716 /nfs/dbraw/zinc/11/37/16/402113716.db2.gz WCSAJCRNVBGWRY-NVXWUHKLSA-N 2 2 303.450 2.060 10 0 DEAELP COCCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1OC ZINC000154569124 402218603 /nfs/dbraw/zinc/21/86/03/402218603.db2.gz DMIJXJSEBRXVKY-ZBFHGGJFSA-N 2 2 322.449 2.465 10 0 DEAELP COCCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)cc1OC ZINC000154569124 402218604 /nfs/dbraw/zinc/21/86/04/402218604.db2.gz DMIJXJSEBRXVKY-ZBFHGGJFSA-N 2 2 322.449 2.465 10 0 DEAELP C[C@H](c1ccccn1)[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000177151206 402375821 /nfs/dbraw/zinc/37/58/21/402375821.db2.gz RYOZZXYBFHETRT-SJORKVTESA-N 2 2 302.466 2.245 10 0 DEAELP C[C@H](c1ccccn1)[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000177151206 402375823 /nfs/dbraw/zinc/37/58/23/402375823.db2.gz RYOZZXYBFHETRT-SJORKVTESA-N 2 2 302.466 2.245 10 0 DEAELP [NH3+][C@H]1CCC[C@@H](C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000238018594 402432378 /nfs/dbraw/zinc/43/23/78/402432378.db2.gz VAATZUUPYJJHMB-CVEARBPZSA-N 2 2 316.449 2.206 10 0 DEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2cccc(OC)c2)[C@@H](C)C1 ZINC000245412682 402458151 /nfs/dbraw/zinc/45/81/51/402458151.db2.gz AVDKHRUMLQZBEC-YOEHRIQHSA-N 2 2 319.449 2.296 10 0 DEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2cccc(OC)c2)[C@@H](C)C1 ZINC000245412682 402458152 /nfs/dbraw/zinc/45/81/52/402458152.db2.gz AVDKHRUMLQZBEC-YOEHRIQHSA-N 2 2 319.449 2.296 10 0 DEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2cccc(OC)c2)[C@@H](C)C1 ZINC000245412682 402458153 /nfs/dbraw/zinc/45/81/53/402458153.db2.gz AVDKHRUMLQZBEC-YOEHRIQHSA-N 2 2 319.449 2.296 10 0 DEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2cccc(OC)c2)[C@@H](C)C1 ZINC000245412682 402458154 /nfs/dbraw/zinc/45/81/54/402458154.db2.gz AVDKHRUMLQZBEC-YOEHRIQHSA-N 2 2 319.449 2.296 10 0 DEAELP COc1ccc([C@@H](C)[NH2+]CC[NH+]2CCCC2)cc1NC(C)=O ZINC000178310631 402483260 /nfs/dbraw/zinc/48/32/60/402483260.db2.gz VPISQOXREQVZEE-CYBMUJFWSA-N 2 2 305.422 2.400 10 0 DEAELP CC(C)Cn1cc[nH+]c1CNC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1 ZINC000178809705 402542236 /nfs/dbraw/zinc/54/22/36/402542236.db2.gz QMHDGIIYCMXBAT-YOEHRIQHSA-N 2 2 314.433 2.491 10 0 DEAELP CC(C)Cn1cc[nH+]c1CNC(=O)C[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000178809764 402542990 /nfs/dbraw/zinc/54/29/90/402542990.db2.gz ABASUENUVFAVNO-CABCVRRESA-N 2 2 306.454 2.181 10 0 DEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N([C@@H](C)C2CC2)C2CC2)[C@@H](C)C1 ZINC000247253707 402561523 /nfs/dbraw/zinc/56/15/23/402561523.db2.gz USZKFSSINCMBNZ-MPGHIAIKSA-N 2 2 321.509 2.438 10 0 DEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N([C@@H](C)C2CC2)C2CC2)[C@@H](C)C1 ZINC000247253707 402561524 /nfs/dbraw/zinc/56/15/24/402561524.db2.gz USZKFSSINCMBNZ-MPGHIAIKSA-N 2 2 321.509 2.438 10 0 DEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N([C@@H](C)C2CC2)C2CC2)[C@@H](C)C1 ZINC000247253707 402561525 /nfs/dbraw/zinc/56/15/25/402561525.db2.gz USZKFSSINCMBNZ-MPGHIAIKSA-N 2 2 321.509 2.438 10 0 DEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N([C@@H](C)C2CC2)C2CC2)[C@@H](C)C1 ZINC000247253707 402561527 /nfs/dbraw/zinc/56/15/27/402561527.db2.gz USZKFSSINCMBNZ-MPGHIAIKSA-N 2 2 321.509 2.438 10 0 DEAELP COC(=O)c1ccc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)o1 ZINC000171599365 402599761 /nfs/dbraw/zinc/59/97/61/402599761.db2.gz ZVIREJHYSQYONA-UHFFFAOYSA-N 2 2 317.389 2.254 10 0 DEAELP C[C@@H](Nc1ccc(OC2CC[NH+](C)CC2)nc1)c1[nH+]ccn1C ZINC000179741997 402599866 /nfs/dbraw/zinc/59/98/66/402599866.db2.gz SJBWSTFHBSBOTR-CYBMUJFWSA-N 2 2 315.421 2.461 10 0 DEAELP C[C@@H](c1cnccn1)[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248662298 402602365 /nfs/dbraw/zinc/60/23/65/402602365.db2.gz YHIWDYRYLWGDOZ-RDJZCZTQSA-N 2 2 311.433 2.387 10 0 DEAELP C[C@@H](c1cnccn1)[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248662298 402602367 /nfs/dbraw/zinc/60/23/67/402602367.db2.gz YHIWDYRYLWGDOZ-RDJZCZTQSA-N 2 2 311.433 2.387 10 0 DEAELP C[C@@H](c1cnccn1)[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248662298 402602370 /nfs/dbraw/zinc/60/23/70/402602370.db2.gz YHIWDYRYLWGDOZ-RDJZCZTQSA-N 2 2 311.433 2.387 10 0 DEAELP C[C@@H](c1cnccn1)[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000248662298 402602371 /nfs/dbraw/zinc/60/23/71/402602371.db2.gz YHIWDYRYLWGDOZ-RDJZCZTQSA-N 2 2 311.433 2.387 10 0 DEAELP Cc1cccc(NC[C@@H]2CC[N@H+](CC(=O)OC(C)(C)C)C2)[nH+]1 ZINC000171648440 402605668 /nfs/dbraw/zinc/60/56/68/402605668.db2.gz QOPWRIAIBNAPBL-AWEZNQCLSA-N 2 2 305.422 2.466 10 0 DEAELP Cc1cccc(NC[C@@H]2CC[N@@H+](CC(=O)OC(C)(C)C)C2)[nH+]1 ZINC000171648440 402605670 /nfs/dbraw/zinc/60/56/70/402605670.db2.gz QOPWRIAIBNAPBL-AWEZNQCLSA-N 2 2 305.422 2.466 10 0 DEAELP C[C@H]([NH3+])CCC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000248840789 402610510 /nfs/dbraw/zinc/61/05/10/402610510.db2.gz FWVCWWWQYJHIBY-SOUVJXGZSA-N 2 2 319.449 2.362 10 0 DEAELP C[C@H]([NH3+])CCC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000248840789 402610513 /nfs/dbraw/zinc/61/05/13/402610513.db2.gz FWVCWWWQYJHIBY-SOUVJXGZSA-N 2 2 319.449 2.362 10 0 DEAELP CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000172473261 402658147 /nfs/dbraw/zinc/65/81/47/402658147.db2.gz RFHTZFIQPXHFOJ-HUUCEWRRSA-N 2 2 323.481 2.460 10 0 DEAELP CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+][C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000172473261 402658148 /nfs/dbraw/zinc/65/81/48/402658148.db2.gz RFHTZFIQPXHFOJ-HUUCEWRRSA-N 2 2 323.481 2.460 10 0 DEAELP COc1cc[nH+]c(N2CC[NH+](C[C@@H](O)C3CCCCC3)CC2)c1 ZINC000191333318 402661576 /nfs/dbraw/zinc/66/15/76/402661576.db2.gz JIHOMFHRPMIQHP-QGZVFWFLSA-N 2 2 319.449 2.153 10 0 DEAELP C[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)sc(=O)n3C)C[N@@H+]1C1CC1 ZINC000192626685 402741021 /nfs/dbraw/zinc/74/10/21/402741021.db2.gz YPZLGRXPHUGVLW-WCQYABFASA-N 2 2 317.458 2.315 10 0 DEAELP C[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)sc(=O)n3C)C[N@H+]1C1CC1 ZINC000192626685 402741022 /nfs/dbraw/zinc/74/10/22/402741022.db2.gz YPZLGRXPHUGVLW-WCQYABFASA-N 2 2 317.458 2.315 10 0 DEAELP CC(C)Cn1cc[nH+]c1CNC(=O)CC1(C[NH3+])CCCCC1 ZINC000184240667 402829380 /nfs/dbraw/zinc/82/93/80/402829380.db2.gz OXFQYSITWJNGPJ-UHFFFAOYSA-N 2 2 306.454 2.455 10 0 DEAELP CCO[C@@H]1C[C@@H]([NH2+]CC[N@@H+]2CCC[C@@H](C)C2)C12CCOCC2 ZINC000249052228 286281648 /nfs/dbraw/zinc/28/16/48/286281648.db2.gz WYGIOLCFJLXVCJ-BRWVUGGUSA-N 2 2 310.482 2.282 10 0 DEAELP CCO[C@@H]1C[C@@H]([NH2+]CC[N@H+]2CCC[C@@H](C)C2)C12CCOCC2 ZINC000249052228 286281652 /nfs/dbraw/zinc/28/16/52/286281652.db2.gz WYGIOLCFJLXVCJ-BRWVUGGUSA-N 2 2 310.482 2.282 10 0 DEAELP CC(C)OC[C@@H](O)C[NH2+]C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000379633281 405028381 /nfs/dbraw/zinc/02/83/81/405028381.db2.gz TZPIHGKBOJFGJW-MOPGFXCFSA-N 2 2 320.477 2.417 10 0 DEAELP CC(C)OC[C@@H](O)C[NH2+]C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000379633281 405028385 /nfs/dbraw/zinc/02/83/85/405028385.db2.gz TZPIHGKBOJFGJW-MOPGFXCFSA-N 2 2 320.477 2.417 10 0 DEAELP CC(=O)[C@](C)(O)C[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000567994864 406177105 /nfs/dbraw/zinc/17/71/05/406177105.db2.gz XEMHDOKKOIUDLZ-NVXWUHKLSA-N 2 2 324.490 2.150 10 0 DEAELP CC(=O)[C@](C)(O)C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000567994864 406177113 /nfs/dbraw/zinc/17/71/13/406177113.db2.gz XEMHDOKKOIUDLZ-NVXWUHKLSA-N 2 2 324.490 2.150 10 0 DEAELP CC(=O)[C@](C)(O)C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000567994864 406177119 /nfs/dbraw/zinc/17/71/19/406177119.db2.gz XEMHDOKKOIUDLZ-NVXWUHKLSA-N 2 2 324.490 2.150 10 0 DEAELP CC(=O)[C@](C)(O)C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000567994864 406177125 /nfs/dbraw/zinc/17/71/25/406177125.db2.gz XEMHDOKKOIUDLZ-NVXWUHKLSA-N 2 2 324.490 2.150 10 0 DEAELP Cn1ncc(Br)c1C[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000487331633 406224069 /nfs/dbraw/zinc/22/40/69/406224069.db2.gz YGLLFRPMSFDNDN-GHMZBOCLSA-N 2 2 315.259 2.145 10 0 DEAELP c1nc(N2CCC[C@H]3C[NH2+]CC[C@@H]32)cc(N2CCCCC2)[nH+]1 ZINC000634812291 406295814 /nfs/dbraw/zinc/29/58/14/406295814.db2.gz DZTUFFLBVCZIOE-GJZGRUSLSA-N 2 2 301.438 2.045 10 0 DEAELP c1nc(N2CCCCC2)cc(N2CCC[C@H]3C[NH2+]CC[C@@H]32)[nH+]1 ZINC000634812291 406295815 /nfs/dbraw/zinc/29/58/15/406295815.db2.gz DZTUFFLBVCZIOE-GJZGRUSLSA-N 2 2 301.438 2.045 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@H]1CCC[N@H+](C)C1)C2 ZINC000570377717 406385099 /nfs/dbraw/zinc/38/50/99/406385099.db2.gz RKIPFLLZOLNBPL-KGLIPLIRSA-N 2 2 318.465 2.096 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@H]1CCC[N@@H+](C)C1)C2 ZINC000570377717 406385100 /nfs/dbraw/zinc/38/51/00/406385100.db2.gz RKIPFLLZOLNBPL-KGLIPLIRSA-N 2 2 318.465 2.096 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@H]1CCC[N@H+](C)C1)CC2 ZINC000570377717 406385103 /nfs/dbraw/zinc/38/51/03/406385103.db2.gz RKIPFLLZOLNBPL-KGLIPLIRSA-N 2 2 318.465 2.096 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@H]1CCC[N@@H+](C)C1)CC2 ZINC000570377717 406385106 /nfs/dbraw/zinc/38/51/06/406385106.db2.gz RKIPFLLZOLNBPL-KGLIPLIRSA-N 2 2 318.465 2.096 10 0 DEAELP c1cc2c(c([C@H]3CCC[N@H+]3CC34CC(C3)C[NH2+]4)c1)OCCO2 ZINC000634992252 406389435 /nfs/dbraw/zinc/38/94/35/406389435.db2.gz JIHOEPIAZSZIPN-NSWWBONSSA-N 2 2 300.402 2.347 10 0 DEAELP c1cc2c(c([C@H]3CCC[N@@H+]3CC34CC(C3)C[NH2+]4)c1)OCCO2 ZINC000634992252 406389441 /nfs/dbraw/zinc/38/94/41/406389441.db2.gz JIHOEPIAZSZIPN-NSWWBONSSA-N 2 2 300.402 2.347 10 0 DEAELP c1cnn(C2CC([NH2+]C3CC[NH+](Cc4ccccn4)CC3)C2)c1 ZINC000638379883 406737069 /nfs/dbraw/zinc/73/70/69/406737069.db2.gz QIKJZTBPAANIPE-UHFFFAOYSA-N 2 2 311.433 2.236 10 0 DEAELP [NH3+]C[C@H]1CCC[N@@H+]1C[C@@H]1Cc2cc(Br)ccc2O1 ZINC000131839646 196204161 /nfs/dbraw/zinc/20/41/61/196204161.db2.gz UNAVCANFKZVMIM-OLZOCXBDSA-N 2 2 311.223 2.176 10 0 DEAELP [NH3+]C[C@H]1CCC[N@H+]1C[C@@H]1Cc2cc(Br)ccc2O1 ZINC000131839646 196204163 /nfs/dbraw/zinc/20/41/63/196204163.db2.gz UNAVCANFKZVMIM-OLZOCXBDSA-N 2 2 311.223 2.176 10 0 DEAELP CC[C@@H](CCO)[NH2+][C@@H](C[NH3+])c1ccc(F)c(Br)c1 ZINC000134373145 196382921 /nfs/dbraw/zinc/38/29/21/196382921.db2.gz RWFICLKHSOFOIS-GWCFXTLKSA-N 2 2 319.218 2.339 10 0 DEAELP CN(C)c1nc(NC[C@H]2CCC[N@@H+]2Cc2ccccc2)cc[nH+]1 ZINC000354341513 425062715 /nfs/dbraw/zinc/06/27/15/425062715.db2.gz VXHASVRIEXNYSD-MRXNPFEDSA-N 2 2 311.433 2.619 10 0 DEAELP CN(C)c1nc(NC[C@H]2CCC[N@H+]2Cc2ccccc2)cc[nH+]1 ZINC000354341513 425062719 /nfs/dbraw/zinc/06/27/19/425062719.db2.gz VXHASVRIEXNYSD-MRXNPFEDSA-N 2 2 311.433 2.619 10 0 DEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NCc2cccc(C)c2)[C@H](C)C1 ZINC000079461146 267376646 /nfs/dbraw/zinc/37/66/46/267376646.db2.gz FOSXTXNCNXASSE-AEFFLSMTSA-N 2 2 317.477 2.273 10 0 DEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NCc2cccc(C)c2)[C@H](C)C1 ZINC000079461146 267376649 /nfs/dbraw/zinc/37/66/49/267376649.db2.gz FOSXTXNCNXASSE-AEFFLSMTSA-N 2 2 317.477 2.273 10 0 DEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NCc2cccc(C)c2)[C@H](C)C1 ZINC000079461146 267376652 /nfs/dbraw/zinc/37/66/52/267376652.db2.gz FOSXTXNCNXASSE-AEFFLSMTSA-N 2 2 317.477 2.273 10 0 DEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NCc2cccc(C)c2)[C@H](C)C1 ZINC000079461146 267376655 /nfs/dbraw/zinc/37/66/55/267376655.db2.gz FOSXTXNCNXASSE-AEFFLSMTSA-N 2 2 317.477 2.273 10 0 DEAELP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000333191674 268900677 /nfs/dbraw/zinc/90/06/77/268900677.db2.gz AAWHGDLWIMJTLX-KKUMJFAQSA-N 2 2 319.453 2.138 10 0 DEAELP CCn1cc[nH+]c1CNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000334069183 269014749 /nfs/dbraw/zinc/01/47/49/269014749.db2.gz FVQVOTVVEYIRHT-HNNXBMFYSA-N 2 2 319.453 2.063 10 0 DEAELP C[NH+](C)C1(C[NH2+]C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000397908767 269107425 /nfs/dbraw/zinc/10/74/25/269107425.db2.gz XFCFSGFPCMXVQB-CQSZACIVSA-N 2 2 311.470 2.317 10 0 DEAELP CCC[C@@H](C(=O)NC1CCN(c2ccc(C)c[nH+]2)CC1)[NH+](C)C ZINC000164039536 276020960 /nfs/dbraw/zinc/02/09/60/276020960.db2.gz QOWRXNULIBGUMB-INIZCTEOSA-N 2 2 318.465 2.205 10 0 DEAELP COC(=O)C1CCC([NH2+][C@@H](Cc2ccccc2)C[NH+](C)C)CC1 ZINC000192439814 277052146 /nfs/dbraw/zinc/05/21/46/277052146.db2.gz NVOOVWQBQXTTCE-ABHNRTSZSA-N 2 2 318.461 2.481 10 0 DEAELP COC1([C@@H](C)[NH2+][C@@H]2CC[N@H+](CC3CCCC3)C2)CCOCC1 ZINC000453124645 277190179 /nfs/dbraw/zinc/19/01/79/277190179.db2.gz SCFAYPVKGAWPPK-NVXWUHKLSA-N 2 2 310.482 2.425 10 0 DEAELP COC1([C@@H](C)[NH2+][C@@H]2CC[N@@H+](CC3CCCC3)C2)CCOCC1 ZINC000453124645 277190181 /nfs/dbraw/zinc/19/01/81/277190181.db2.gz SCFAYPVKGAWPPK-NVXWUHKLSA-N 2 2 310.482 2.425 10 0 DEAELP CCC[C@H](C(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C)[NH+](C)C ZINC000179719293 278917910 /nfs/dbraw/zinc/91/79/10/278917910.db2.gz ABQGAVPALMKGQC-OAHLLOKOSA-N 2 2 307.438 2.396 10 0 DEAELP CCC[C@H](C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1)[NH+](C)C ZINC000162156796 520974401 /nfs/dbraw/zinc/97/44/01/520974401.db2.gz UCITVWDUHGQWDL-NVXWUHKLSA-N 2 2 318.465 2.017 10 0 DEAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cc(OC)ccc1OC ZINC000163285543 523833640 /nfs/dbraw/zinc/83/36/40/523833640.db2.gz ASLBYFRMGWWBBW-CABCVRRESA-N 2 2 322.449 2.465 10 0 DEAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cc(OC)ccc1OC ZINC000163285543 523833644 /nfs/dbraw/zinc/83/36/44/523833644.db2.gz ASLBYFRMGWWBBW-CABCVRRESA-N 2 2 322.449 2.465 10 0 DEAELP Cn1c[nH+]cc1[C@@H]1C[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)CCO1 ZINC000328655430 534814876 /nfs/dbraw/zinc/81/48/76/534814876.db2.gz YKHXFAKGCOLNCY-IVCRCZCHSA-N 2 2 305.422 2.043 10 0 DEAELP CC1(C)OCC[C@@H]1[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000294384149 527803373 /nfs/dbraw/zinc/80/33/73/527803373.db2.gz RNQDRNOERYQYAX-ROUUACIJSA-N 2 2 318.461 2.435 10 0 DEAELP CC1(C)OCC[C@@H]1[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000294384149 527803378 /nfs/dbraw/zinc/80/33/78/527803378.db2.gz RNQDRNOERYQYAX-ROUUACIJSA-N 2 2 318.461 2.435 10 0 DEAELP CC1(C)C[N@H+](CC(=O)NCc2ccc(Cl)cc2)CC[C@@H]1[NH3+] ZINC000261666624 535352701 /nfs/dbraw/zinc/35/27/01/535352701.db2.gz KZYYASYVLSMMKY-AWEZNQCLSA-N 2 2 309.841 2.015 10 0 DEAELP CC1(C)C[N@@H+](CC(=O)NCc2ccc(Cl)cc2)CC[C@@H]1[NH3+] ZINC000261666624 535352703 /nfs/dbraw/zinc/35/27/03/535352703.db2.gz KZYYASYVLSMMKY-AWEZNQCLSA-N 2 2 309.841 2.015 10 0 DEAELP CC[C@@H](C)[C@@H](C)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000248521455 535631524 /nfs/dbraw/zinc/63/15/24/535631524.db2.gz BNDGFKPCNKQIMU-VQVIJEGRSA-N 2 2 321.509 2.438 10 0 DEAELP CC[C@@H](C)[C@@H](C)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000248521455 535631530 /nfs/dbraw/zinc/63/15/30/535631530.db2.gz BNDGFKPCNKQIMU-VQVIJEGRSA-N 2 2 321.509 2.438 10 0 DEAELP CCN(Cc1ccccc1)C(=O)C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000261546017 535787532 /nfs/dbraw/zinc/78/75/32/535787532.db2.gz KOAOGMWMIUFPBS-QGZVFWFLSA-N 2 2 303.450 2.109 10 0 DEAELP CCN(Cc1ccccc1)C(=O)C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000261546017 535787533 /nfs/dbraw/zinc/78/75/33/535787533.db2.gz KOAOGMWMIUFPBS-QGZVFWFLSA-N 2 2 303.450 2.109 10 0 DEAELP C[N@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C[C@@]1(C)CC[NH2+]C1 ZINC000261692732 536449622 /nfs/dbraw/zinc/44/96/22/536449622.db2.gz BBWCKLIVTRPCTP-MOPGFXCFSA-N 3 2 301.478 2.440 10 0 DEAELP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C[C@@]1(C)CC[NH2+]C1 ZINC000261692732 536449624 /nfs/dbraw/zinc/44/96/24/536449624.db2.gz BBWCKLIVTRPCTP-MOPGFXCFSA-N 3 2 301.478 2.440 10 0 DEAELP C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)C[C@@]1(C)CC[NH2+]C1 ZINC000261692732 536449625 /nfs/dbraw/zinc/44/96/25/536449625.db2.gz BBWCKLIVTRPCTP-MOPGFXCFSA-N 3 2 301.478 2.440 10 0 DEAELP C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@@]1(C)CC[NH2+]C1 ZINC000261692732 536449627 /nfs/dbraw/zinc/44/96/27/536449627.db2.gz BBWCKLIVTRPCTP-MOPGFXCFSA-N 3 2 301.478 2.440 10 0 DEAELP C[C@H]1C[N@H+](Cc2cnc(NC(=O)C(C)(C)C)s2)CC[C@@H]1[NH3+] ZINC000725272073 563577883 /nfs/dbraw/zinc/57/78/83/563577883.db2.gz LYFVFQSVPLBSPT-JQWIXIFHSA-N 2 2 310.467 2.297 10 0 DEAELP C[C@H]1C[N@@H+](Cc2cnc(NC(=O)C(C)(C)C)s2)CC[C@@H]1[NH3+] ZINC000725272073 563577887 /nfs/dbraw/zinc/57/78/87/563577887.db2.gz LYFVFQSVPLBSPT-JQWIXIFHSA-N 2 2 310.467 2.297 10 0 DEAELP Cn1cnc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000309920808 625605916 /nfs/dbraw/zinc/60/59/16/625605916.db2.gz QPNWWIAKPSNGTQ-QXAKKESOSA-N 2 2 310.445 2.420 10 0 DEAELP Cn1cnc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000309920808 625605918 /nfs/dbraw/zinc/60/59/18/625605918.db2.gz QPNWWIAKPSNGTQ-QXAKKESOSA-N 2 2 310.445 2.420 10 0 DEAELP CC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000711441362 1087113205 /nfs/dbraw/zinc/11/32/05/1087113205.db2.gz VZHNSWCSHMPUSW-QLFBSQMISA-N 2 2 311.470 2.364 10 0 DEAELP CC[N@H+]1CCC[C@@H]1C[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000711441362 1087113207 /nfs/dbraw/zinc/11/32/07/1087113207.db2.gz VZHNSWCSHMPUSW-QLFBSQMISA-N 2 2 311.470 2.364 10 0 DEAELP COc1ccc(Br)c(Cn2c(C)[nH+]cc2C[NH3+])c1 ZINC000087799529 185232349 /nfs/dbraw/zinc/23/23/49/185232349.db2.gz DNXPFGDLBMVQHG-UHFFFAOYSA-N 2 2 310.195 2.470 10 0 DEAELP CC1(C)[C@H]2C[NH2+]C[C@H]2C[N@@H+]1CC(=O)Nc1cccc(Cl)c1 ZINC000090337925 185291744 /nfs/dbraw/zinc/29/17/44/185291744.db2.gz NKEFSPUUYMOYHZ-FZMZJTMJSA-N 2 2 307.825 2.208 10 0 DEAELP CC1(C)[C@H]2C[NH2+]C[C@H]2C[N@H+]1CC(=O)Nc1cccc(Cl)c1 ZINC000090337925 185291745 /nfs/dbraw/zinc/29/17/45/185291745.db2.gz NKEFSPUUYMOYHZ-FZMZJTMJSA-N 2 2 307.825 2.208 10 0 DEAELP CN(Cc1cccc(Br)c1)[C@H](C[NH3+])c1c[nH+]cn1C ZINC000090167503 185284480 /nfs/dbraw/zinc/28/44/80/185284480.db2.gz CXOVHQFLZUCRKG-CYBMUJFWSA-N 2 2 323.238 2.314 10 0 DEAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CCOCC2CC2)C1 ZINC000195296429 530006356 /nfs/dbraw/zinc/00/63/56/530006356.db2.gz AMHPTOFFPUVIPX-SFHVURJKSA-N 2 2 303.450 2.262 10 0 DEAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CCOCC2CC2)C1 ZINC000195296429 530006358 /nfs/dbraw/zinc/00/63/58/530006358.db2.gz AMHPTOFFPUVIPX-SFHVURJKSA-N 2 2 303.450 2.262 10 0 DEAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](CCOCC2CC2)C1 ZINC000195296429 530006359 /nfs/dbraw/zinc/00/63/59/530006359.db2.gz AMHPTOFFPUVIPX-SFHVURJKSA-N 2 2 303.450 2.262 10 0 DEAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](CCOCC2CC2)C1 ZINC000195296429 530006361 /nfs/dbraw/zinc/00/63/61/530006361.db2.gz AMHPTOFFPUVIPX-SFHVURJKSA-N 2 2 303.450 2.262 10 0 DEAELP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccc(-n4ccnc4)nc3)C2)C1 ZINC000292830201 530065151 /nfs/dbraw/zinc/06/51/51/530065151.db2.gz ALAGTVUCJXLSTD-SFHVURJKSA-N 2 2 311.433 2.185 10 0 DEAELP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc(-n4ccnc4)nc3)C2)C1 ZINC000292830201 530065152 /nfs/dbraw/zinc/06/51/52/530065152.db2.gz ALAGTVUCJXLSTD-SFHVURJKSA-N 2 2 311.433 2.185 10 0 DEAELP C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc(-n4ccnc4)nc3)C2)C1 ZINC000292830201 530065153 /nfs/dbraw/zinc/06/51/53/530065153.db2.gz ALAGTVUCJXLSTD-SFHVURJKSA-N 2 2 311.433 2.185 10 0 DEAELP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccc(-n4ccnc4)nc3)C2)C1 ZINC000292830201 530065154 /nfs/dbraw/zinc/06/51/54/530065154.db2.gz ALAGTVUCJXLSTD-SFHVURJKSA-N 2 2 311.433 2.185 10 0 DEAELP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccc(-n4cc[nH+]c4)nc3)C2)C1 ZINC000292830201 530065155 /nfs/dbraw/zinc/06/51/55/530065155.db2.gz ALAGTVUCJXLSTD-SFHVURJKSA-N 3 2 311.433 2.185 10 0 DEAELP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc(-n4cc[nH+]c4)nc3)C2)C1 ZINC000292830201 530065156 /nfs/dbraw/zinc/06/51/56/530065156.db2.gz ALAGTVUCJXLSTD-SFHVURJKSA-N 3 2 311.433 2.185 10 0 DEAELP C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc(-n4cc[nH+]c4)nc3)C2)C1 ZINC000292830201 530065157 /nfs/dbraw/zinc/06/51/57/530065157.db2.gz ALAGTVUCJXLSTD-SFHVURJKSA-N 3 2 311.433 2.185 10 0 DEAELP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)nc3)C2)C1 ZINC000292830201 530065158 /nfs/dbraw/zinc/06/51/58/530065158.db2.gz ALAGTVUCJXLSTD-SFHVURJKSA-N 3 2 311.433 2.185 10 0 DEAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N(CC(C)C)C2CC2)[C@@H](C)C1 ZINC000245440747 282388956 /nfs/dbraw/zinc/38/89/56/282388956.db2.gz UVWQXNWOWKRIPP-DOTOQJQBSA-N 2 2 309.498 2.296 10 0 DEAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N(CC(C)C)C2CC2)[C@@H](C)C1 ZINC000245440747 282388957 /nfs/dbraw/zinc/38/89/57/282388957.db2.gz UVWQXNWOWKRIPP-DOTOQJQBSA-N 2 2 309.498 2.296 10 0 DEAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N(CC(C)C)C2CC2)[C@@H](C)C1 ZINC000245440747 282388958 /nfs/dbraw/zinc/38/89/58/282388958.db2.gz UVWQXNWOWKRIPP-DOTOQJQBSA-N 2 2 309.498 2.296 10 0 DEAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N(CC(C)C)C2CC2)[C@@H](C)C1 ZINC000245440747 282388959 /nfs/dbraw/zinc/38/89/59/282388959.db2.gz UVWQXNWOWKRIPP-DOTOQJQBSA-N 2 2 309.498 2.296 10 0 DEAELP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000220526649 539728108 /nfs/dbraw/zinc/72/81/08/539728108.db2.gz RJTJJZDKBWHOJU-KGLIPLIRSA-N 2 2 306.454 2.141 10 0 DEAELP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000220526649 539728113 /nfs/dbraw/zinc/72/81/13/539728113.db2.gz RJTJJZDKBWHOJU-KGLIPLIRSA-N 2 2 306.454 2.141 10 0 DEAELP CC[C@@H]([NH3+])[C@@H](c1ccc(C)s1)[NH+]1CCC(NC(C)=O)CC1 ZINC000133705051 186008641 /nfs/dbraw/zinc/00/86/41/186008641.db2.gz QOCIHWHZHIFPLE-ZBFHGGJFSA-N 2 2 309.479 2.435 10 0 DEAELP C[C@@H]1OCC[C@]1(C[NH3+])[N@H+](C)Cc1ccc(Br)cc1 ZINC000147945017 186042754 /nfs/dbraw/zinc/04/27/54/186042754.db2.gz QGFDTSMVRCFSIN-SMDDNHRTSA-N 2 2 313.239 2.387 10 0 DEAELP C[C@@H]1OCC[C@]1(C[NH3+])[N@@H+](C)Cc1ccc(Br)cc1 ZINC000147945017 186042755 /nfs/dbraw/zinc/04/27/55/186042755.db2.gz QGFDTSMVRCFSIN-SMDDNHRTSA-N 2 2 313.239 2.387 10 0 DEAELP CNc1nc(N2CCC(C[NH+]3CCCC3)CC2)c(Cl)c[nH+]1 ZINC000149638817 186051729 /nfs/dbraw/zinc/05/17/29/186051729.db2.gz BVEAYXHNVJENBK-UHFFFAOYSA-N 2 2 309.845 2.484 10 0 DEAELP Cc1[nH+]c2cc(CC(=O)NCC[NH+](C)C)ccc2n1C(C)C ZINC000074975178 191399922 /nfs/dbraw/zinc/39/99/22/191399922.db2.gz NKOWLLYYXJQQSK-UHFFFAOYSA-N 2 2 302.422 2.146 10 0 DEAELP CC(C)c1cc(N2CC[NH+]([C@@H](C)CO)CC2)nc(C(C)C)[nH+]1 ZINC000090090396 355556051 /nfs/dbraw/zinc/55/60/51/355556051.db2.gz YAVOMKPCIOZHHM-AWEZNQCLSA-N 2 2 306.454 2.226 10 0 DEAELP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000370529475 283126354 /nfs/dbraw/zinc/12/63/54/283126354.db2.gz UDIKHPAWMDWINU-BARDWOONSA-N 2 2 318.465 2.312 10 0 DEAELP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000370529475 283126359 /nfs/dbraw/zinc/12/63/59/283126359.db2.gz UDIKHPAWMDWINU-BARDWOONSA-N 2 2 318.465 2.312 10 0 DEAELP Cc1nccnc1[C@H](C)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000187788037 200157033 /nfs/dbraw/zinc/15/70/33/200157033.db2.gz HOYUWQOKNWMJDQ-HNNXBMFYSA-N 2 2 311.433 2.495 10 0 DEAELP c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3cnnn3Cc3ccccc3)C2)[nH]1 ZINC000292555750 223145441 /nfs/dbraw/zinc/14/54/41/223145441.db2.gz NCGIKXHEQLOJSN-MRXNPFEDSA-N 2 2 322.416 2.429 10 0 DEAELP c1c[nH+]c([C@@H]2CCC[N@H+](Cc3cnnn3Cc3ccccc3)C2)[nH]1 ZINC000292555750 223145443 /nfs/dbraw/zinc/14/54/43/223145443.db2.gz NCGIKXHEQLOJSN-MRXNPFEDSA-N 2 2 322.416 2.429 10 0 DEAELP c1ncn(-c2ccccc2C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)n1 ZINC000623727831 365150888 /nfs/dbraw/zinc/15/08/88/365150888.db2.gz PEZNKYMGGJPEJE-KRWDZBQOSA-N 2 2 311.433 2.374 10 0 DEAELP c1ncn(-c2ccccc2C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)n1 ZINC000623727831 365150892 /nfs/dbraw/zinc/15/08/92/365150892.db2.gz PEZNKYMGGJPEJE-KRWDZBQOSA-N 2 2 311.433 2.374 10 0 DEAELP CC[C@H]([NH3+])Cc1cc(Cl)ccc1OC[C@@H]1C[N@H+](C)CCO1 ZINC000092060655 193149889 /nfs/dbraw/zinc/14/98/89/193149889.db2.gz VYEZJKZGXCUSFW-GJZGRUSLSA-N 2 2 312.841 2.329 10 0 DEAELP CC[C@H]([NH3+])Cc1cc(Cl)ccc1OC[C@@H]1C[N@@H+](C)CCO1 ZINC000092060655 193149891 /nfs/dbraw/zinc/14/98/91/193149891.db2.gz VYEZJKZGXCUSFW-GJZGRUSLSA-N 2 2 312.841 2.329 10 0 DEAELP CC(=O)c1ccccc1OCC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631885962 368441762 /nfs/dbraw/zinc/44/17/62/368441762.db2.gz FNGPTPTWLUPKOV-WBVHZDCISA-N 2 2 302.418 2.342 10 0 DEAELP CC(=O)c1ccccc1OCC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631885962 368441766 /nfs/dbraw/zinc/44/17/66/368441766.db2.gz FNGPTPTWLUPKOV-WBVHZDCISA-N 2 2 302.418 2.342 10 0 DEAELP C[NH2+][C@H](Cc1ccc(Cl)c(Cl)c1)[C@@H]1C[N@H+](C)CCN1C ZINC000093894932 193325528 /nfs/dbraw/zinc/32/55/28/193325528.db2.gz RSJFJFIUHZHMJJ-CABCVRRESA-N 2 2 316.276 2.370 10 0 DEAELP C[NH2+][C@H](Cc1ccc(Cl)c(Cl)c1)[C@@H]1C[N@@H+](C)CCN1C ZINC000093894932 193325529 /nfs/dbraw/zinc/32/55/29/193325529.db2.gz RSJFJFIUHZHMJJ-CABCVRRESA-N 2 2 316.276 2.370 10 0 DEAELP C[NH2+][C@@H](Cc1ccc(Cl)c(Cl)c1)[C@H]1C[N@H+](C)CCN1C ZINC000093894933 193325566 /nfs/dbraw/zinc/32/55/66/193325566.db2.gz RSJFJFIUHZHMJJ-LSDHHAIUSA-N 2 2 316.276 2.370 10 0 DEAELP C[NH2+][C@@H](Cc1ccc(Cl)c(Cl)c1)[C@H]1C[N@@H+](C)CCN1C ZINC000093894933 193325567 /nfs/dbraw/zinc/32/55/67/193325567.db2.gz RSJFJFIUHZHMJJ-LSDHHAIUSA-N 2 2 316.276 2.370 10 0 DEAELP COc1ccc(Cl)cc1C[C@@H]([NH3+])[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC000093925746 193328610 /nfs/dbraw/zinc/32/86/10/193328610.db2.gz SUKROIKBYYFKFX-ZBFHGGJFSA-N 2 2 312.841 2.328 10 0 DEAELP COc1ccc(Cl)cc1C[C@@H]([NH3+])[C@@H]1C[N@H+](C(C)C)CCO1 ZINC000093925746 193328611 /nfs/dbraw/zinc/32/86/11/193328611.db2.gz SUKROIKBYYFKFX-ZBFHGGJFSA-N 2 2 312.841 2.328 10 0 DEAELP C[NH2+][C@@H](Cc1ccc(Cl)c(Cl)c1)[C@H]1C[NH+]2CCN1CC2 ZINC000094509391 193375517 /nfs/dbraw/zinc/37/55/17/193375517.db2.gz CXPYPOPWBXYJAV-LSDHHAIUSA-N 2 2 314.260 2.124 10 0 DEAELP c1[nH+]c([C@H]2CCC[N@@H+](Cc3csnn3)C2)n2c1CCCC2 ZINC000282781720 217246578 /nfs/dbraw/zinc/24/65/78/217246578.db2.gz QKKWFEPZDURPSO-LBPRGKRZSA-N 2 2 303.435 2.451 10 0 DEAELP c1[nH+]c([C@H]2CCC[N@H+](Cc3csnn3)C2)n2c1CCCC2 ZINC000282781720 217246580 /nfs/dbraw/zinc/24/65/80/217246580.db2.gz QKKWFEPZDURPSO-LBPRGKRZSA-N 2 2 303.435 2.451 10 0 DEAELP COCC[NH+](CCOC)[C@H](c1ccc(Cl)cc1)[C@H](C)[NH3+] ZINC000042945352 183319860 /nfs/dbraw/zinc/31/98/60/183319860.db2.gz LXOYZUWAVDKHAU-WFASDCNBSA-N 2 2 300.830 2.323 10 0 DEAELP CC(C)[N@H+](CCO)[C@H](C[NH3+])c1ccc(Br)cc1 ZINC000042955222 183321264 /nfs/dbraw/zinc/32/12/64/183321264.db2.gz RIKLPGIZTYONOU-CYBMUJFWSA-N 2 2 301.228 2.152 10 0 DEAELP CC(C)[N@@H+](CCO)[C@H](C[NH3+])c1ccc(Br)cc1 ZINC000042955222 183321267 /nfs/dbraw/zinc/32/12/67/183321267.db2.gz RIKLPGIZTYONOU-CYBMUJFWSA-N 2 2 301.228 2.152 10 0 DEAELP COC1([C@@H](C)[NH2+]C[C@@H](c2ccccc2)[NH+](C)C)CCOCC1 ZINC000453054301 284740655 /nfs/dbraw/zinc/74/06/55/284740655.db2.gz HIIPEZBJMQNRHZ-WBVHZDCISA-N 2 2 306.450 2.463 10 0 DEAELP CC[C@H](C[NH3+])N1CC[NH+](Cc2cc(Cl)ccc2OC)CC1 ZINC000109460059 194265370 /nfs/dbraw/zinc/26/53/70/194265370.db2.gz JSGMORXKVWFSFK-OAHLLOKOSA-N 2 2 311.857 2.204 10 0 DEAELP [NH3+][C@@H]1C[C@@H]([NH+]2CCN(c3nccs3)CC2)c2ccccc21 ZINC000157503011 197192024 /nfs/dbraw/zinc/19/20/24/197192024.db2.gz UJKFWYULYACIRV-HUUCEWRRSA-N 2 2 300.431 2.410 10 0 DEAELP C[C@@H](c1ccccc1Cl)[N@H+](C)CC(=O)N1CCC[NH2+]CC1 ZINC000062014437 184200887 /nfs/dbraw/zinc/20/08/87/184200887.db2.gz SVHQTFQOQUEXDE-ZDUSSCGKSA-N 2 2 309.841 2.155 10 0 DEAELP C[C@@H](c1ccccc1Cl)[N@@H+](C)CC(=O)N1CCC[NH2+]CC1 ZINC000062014437 184200889 /nfs/dbraw/zinc/20/08/89/184200889.db2.gz SVHQTFQOQUEXDE-ZDUSSCGKSA-N 2 2 309.841 2.155 10 0 DEAELP [NH3+]C[C@@H](c1ccc(Br)cc1)N1CCn2cc[nH+]c2C1 ZINC000062246186 184225267 /nfs/dbraw/zinc/22/52/67/184225267.db2.gz SSRVZYUCKXUIMC-ZDUSSCGKSA-N 2 2 321.222 2.161 10 0 DEAELP Cc1ccc2[nH+]cc(C[NH2+][C@@H]3CCCN(c4cccnn4)C3)n2c1 ZINC000156583431 197125768 /nfs/dbraw/zinc/12/57/68/197125768.db2.gz SVSPIVSWDYJWDY-OAHLLOKOSA-N 2 2 322.416 2.191 10 0 DEAELP C[C@@H](c1ccccn1)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000155115811 197023858 /nfs/dbraw/zinc/02/38/58/197023858.db2.gz JELGYTMNHOXXIR-INIZCTEOSA-N 2 2 313.449 2.436 10 0 DEAELP C[C@@H](c1ccccn1)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000155115811 197023860 /nfs/dbraw/zinc/02/38/60/197023860.db2.gz JELGYTMNHOXXIR-INIZCTEOSA-N 2 2 313.449 2.436 10 0 DEAELP C([NH2+][C@@H]1C[C@H]2OCCC[C@@H]12)C1(C[NH+]2CCOCC2)CCCCC1 ZINC000253233024 533371699 /nfs/dbraw/zinc/37/16/99/533371699.db2.gz LPAVMJWJDIKSOE-RCCFBDPRSA-N 2 2 322.493 2.426 10 0 DEAELP CCCC[N@H+](CC(N)=O)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000191945863 145068340 /nfs/dbraw/zinc/06/83/40/145068340.db2.gz WKSRTNCVLUCTSA-UHFFFAOYSA-N 2 2 300.406 2.268 10 0 DEAELP CCCC[N@@H+](CC(N)=O)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000191945863 145068342 /nfs/dbraw/zinc/06/83/42/145068342.db2.gz WKSRTNCVLUCTSA-UHFFFAOYSA-N 2 2 300.406 2.268 10 0 DEAELP Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193634584 145087969 /nfs/dbraw/zinc/08/79/69/145087969.db2.gz ORBFJJFBCXXXBN-VQHPVUNQSA-N 2 2 315.461 2.054 10 0 DEAELP Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193634584 145087971 /nfs/dbraw/zinc/08/79/71/145087971.db2.gz ORBFJJFBCXXXBN-VQHPVUNQSA-N 2 2 315.461 2.054 10 0 DEAELP Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193634584 145087973 /nfs/dbraw/zinc/08/79/73/145087973.db2.gz ORBFJJFBCXXXBN-VQHPVUNQSA-N 2 2 315.461 2.054 10 0 DEAELP Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193634584 145087975 /nfs/dbraw/zinc/08/79/75/145087975.db2.gz ORBFJJFBCXXXBN-VQHPVUNQSA-N 2 2 315.461 2.054 10 0 DEAELP C[C@@H](NC(=O)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)c1ccccc1Cl ZINC000193657116 145088743 /nfs/dbraw/zinc/08/87/43/145088743.db2.gz DTHIBEITQNGPHD-MCIONIFRSA-N 2 2 321.852 2.011 10 0 DEAELP C[C@@H](NC(=O)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)c1ccccc1Cl ZINC000193657116 145088744 /nfs/dbraw/zinc/08/87/44/145088744.db2.gz DTHIBEITQNGPHD-MCIONIFRSA-N 2 2 321.852 2.011 10 0 DEAELP C[C@@H](NC(=O)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1)c1ccccc1Cl ZINC000193657116 145088745 /nfs/dbraw/zinc/08/87/45/145088745.db2.gz DTHIBEITQNGPHD-MCIONIFRSA-N 2 2 321.852 2.011 10 0 DEAELP C[C@@H](NC(=O)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1)c1ccccc1Cl ZINC000193657116 145088746 /nfs/dbraw/zinc/08/87/46/145088746.db2.gz DTHIBEITQNGPHD-MCIONIFRSA-N 2 2 321.852 2.011 10 0 DEAELP C[C@H](C(=O)Nc1cccc2ncccc21)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193649867 145088847 /nfs/dbraw/zinc/08/88/47/145088847.db2.gz GYGNLRPWDBHBEL-KFWWJZLASA-N 2 2 324.428 2.055 10 0 DEAELP C[C@H](C(=O)Nc1cccc2ncccc21)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193649867 145088849 /nfs/dbraw/zinc/08/88/49/145088849.db2.gz GYGNLRPWDBHBEL-KFWWJZLASA-N 2 2 324.428 2.055 10 0 DEAELP C[C@H](C(=O)Nc1cccc2ncccc21)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193649867 145088850 /nfs/dbraw/zinc/08/88/50/145088850.db2.gz GYGNLRPWDBHBEL-KFWWJZLASA-N 2 2 324.428 2.055 10 0 DEAELP C[C@H](C(=O)Nc1cccc2ncccc21)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193649867 145088852 /nfs/dbraw/zinc/08/88/52/145088852.db2.gz GYGNLRPWDBHBEL-KFWWJZLASA-N 2 2 324.428 2.055 10 0 DEAELP Cc1ccsc1CNC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246587961 145107829 /nfs/dbraw/zinc/10/78/29/145107829.db2.gz FRDCKYMKYYNBCD-UONOGXRCSA-N 2 2 309.479 2.087 10 0 DEAELP Cc1ccsc1CNC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246587961 145107830 /nfs/dbraw/zinc/10/78/30/145107830.db2.gz FRDCKYMKYYNBCD-UONOGXRCSA-N 2 2 309.479 2.087 10 0 DEAELP Cc1ccsc1CNC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246587961 145107831 /nfs/dbraw/zinc/10/78/31/145107831.db2.gz FRDCKYMKYYNBCD-UONOGXRCSA-N 2 2 309.479 2.087 10 0 DEAELP Cc1ccsc1CNC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246587961 145107832 /nfs/dbraw/zinc/10/78/32/145107832.db2.gz FRDCKYMKYYNBCD-UONOGXRCSA-N 2 2 309.479 2.087 10 0 DEAELP C[N@@H+]1CCC[C@H]2C[NH+](Cc3nc(N)c4ccccc4n3)CC[C@H]21 ZINC000246613737 145108736 /nfs/dbraw/zinc/10/87/36/145108736.db2.gz DQYLDZGPAQNNPY-XJKSGUPXSA-N 2 2 311.433 2.128 10 0 DEAELP C[N@H+]1CCC[C@H]2C[NH+](Cc3nc(N)c4ccccc4n3)CC[C@H]21 ZINC000246613737 145108738 /nfs/dbraw/zinc/10/87/38/145108738.db2.gz DQYLDZGPAQNNPY-XJKSGUPXSA-N 2 2 311.433 2.128 10 0 DEAELP C[NH+]1CCC[C@H]2C[N@H+](Cc3nc(N)c4ccccc4n3)CC[C@H]21 ZINC000246613737 145108740 /nfs/dbraw/zinc/10/87/40/145108740.db2.gz DQYLDZGPAQNNPY-XJKSGUPXSA-N 2 2 311.433 2.128 10 0 DEAELP C[NH+]1CCC[C@H]2C[N@@H+](Cc3nc(N)c4ccccc4n3)CC[C@H]21 ZINC000246613737 145108742 /nfs/dbraw/zinc/10/87/42/145108742.db2.gz DQYLDZGPAQNNPY-XJKSGUPXSA-N 2 2 311.433 2.128 10 0 DEAELP CCCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000247141900 145127832 /nfs/dbraw/zinc/12/78/32/145127832.db2.gz LCJLKVIEKQWQAT-HUUCEWRRSA-N 2 2 306.454 2.387 10 0 DEAELP CCCCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000247141900 145127833 /nfs/dbraw/zinc/12/78/33/145127833.db2.gz LCJLKVIEKQWQAT-HUUCEWRRSA-N 2 2 306.454 2.387 10 0 DEAELP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(CCO)CC1 ZINC000249873175 145190954 /nfs/dbraw/zinc/19/09/54/145190954.db2.gz GKNAYFWTMGSYRO-DOTOQJQBSA-N 2 2 303.450 2.044 10 0 DEAELP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(CCO)CC1 ZINC000249873175 145190955 /nfs/dbraw/zinc/19/09/55/145190955.db2.gz GKNAYFWTMGSYRO-DOTOQJQBSA-N 2 2 303.450 2.044 10 0 DEAELP Cc1cc(C)c(NC(=O)C[N@@H+](C)C[C@]2(C)CC[NH2+]C2)c(C)c1 ZINC000261714772 145220335 /nfs/dbraw/zinc/22/03/35/145220335.db2.gz FFADDNOMBYOHEQ-GOSISDBHSA-N 2 2 303.450 2.482 10 0 DEAELP Cc1cc(C)c(NC(=O)C[N@H+](C)C[C@]2(C)CC[NH2+]C2)c(C)c1 ZINC000261714772 145220337 /nfs/dbraw/zinc/22/03/37/145220337.db2.gz FFADDNOMBYOHEQ-GOSISDBHSA-N 2 2 303.450 2.482 10 0 DEAELP Cc1ccccc1CN(C)C(=O)[C@@H](C)[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261724459 145220625 /nfs/dbraw/zinc/22/06/25/145220625.db2.gz NSSWPXIAGKAMIP-NVXWUHKLSA-N 2 2 317.477 2.401 10 0 DEAELP Cc1ccccc1CN(C)C(=O)[C@@H](C)[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261724459 145220628 /nfs/dbraw/zinc/22/06/28/145220628.db2.gz NSSWPXIAGKAMIP-NVXWUHKLSA-N 2 2 317.477 2.401 10 0 DEAELP C[NH+](C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)C1CCCCC1 ZINC000261976836 145248250 /nfs/dbraw/zinc/24/82/50/145248250.db2.gz RDKWGWAFFCUJEZ-ZSYWTGECSA-N 3 2 323.525 2.244 10 0 DEAELP C[C@H](NC(=O)C[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1)c1ccc(F)cc1 ZINC000262542364 145291263 /nfs/dbraw/zinc/29/12/63/145291263.db2.gz RGUBAVOLXIBAHT-SWLSCSKDSA-N 2 2 307.413 2.062 10 0 DEAELP C[C@H](NC(=O)C[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1)c1ccc(F)cc1 ZINC000262542364 145291267 /nfs/dbraw/zinc/29/12/67/145291267.db2.gz RGUBAVOLXIBAHT-SWLSCSKDSA-N 2 2 307.413 2.062 10 0 DEAELP [NH3+][C@@H]1CCCC[C@H]1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000262576577 145295073 /nfs/dbraw/zinc/29/50/73/145295073.db2.gz YFWFMPFYOADSFR-GOEBONIOSA-N 2 2 321.490 2.300 10 0 DEAELP Cn1ccnc1[C@@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)C1CC1 ZINC000127569354 401740396 /nfs/dbraw/zinc/74/03/96/401740396.db2.gz PACHEDHGQJQZAG-HNNXBMFYSA-N 2 2 308.389 2.242 10 0 DEAELP COCCC[N@H+](C)CCNc1cc(C)[nH+]c(-c2ccncc2)n1 ZINC000078372876 401848663 /nfs/dbraw/zinc/84/86/63/401848663.db2.gz IVMCLUULVZKPJV-UHFFFAOYSA-N 2 2 315.421 2.227 10 0 DEAELP COCCC[N@@H+](C)CCNc1cc(C)[nH+]c(-c2ccncc2)n1 ZINC000078372876 401848664 /nfs/dbraw/zinc/84/86/64/401848664.db2.gz IVMCLUULVZKPJV-UHFFFAOYSA-N 2 2 315.421 2.227 10 0 DEAELP CCc1ccc(C[NH2+]C[C@H]2CCCN2c2cc(NC)[nH+]cn2)o1 ZINC000133038472 401878304 /nfs/dbraw/zinc/87/83/04/401878304.db2.gz JKQBDXUWSTVBQY-CYBMUJFWSA-N 2 2 315.421 2.432 10 0 DEAELP COc1ccccc1NC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123285820 402119942 /nfs/dbraw/zinc/11/99/42/402119942.db2.gz WAICJHOTXARACC-UONOGXRCSA-N 2 2 305.422 2.048 10 0 DEAELP COc1ccccc1NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123285820 402119945 /nfs/dbraw/zinc/11/99/45/402119945.db2.gz WAICJHOTXARACC-UONOGXRCSA-N 2 2 305.422 2.048 10 0 DEAELP COc1ccccc1NC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000123285820 402119947 /nfs/dbraw/zinc/11/99/47/402119947.db2.gz WAICJHOTXARACC-UONOGXRCSA-N 2 2 305.422 2.048 10 0 DEAELP COc1ccccc1NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000123285820 402119950 /nfs/dbraw/zinc/11/99/50/402119950.db2.gz WAICJHOTXARACC-UONOGXRCSA-N 2 2 305.422 2.048 10 0 DEAELP C[C@H](NC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1)c1cccs1 ZINC000123195726 402115276 /nfs/dbraw/zinc/11/52/76/402115276.db2.gz PBCKJTZFUNWYTI-HZSPNIEDSA-N 2 2 309.479 2.340 10 0 DEAELP C[C@H](NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1)c1cccs1 ZINC000123195726 402115278 /nfs/dbraw/zinc/11/52/78/402115278.db2.gz PBCKJTZFUNWYTI-HZSPNIEDSA-N 2 2 309.479 2.340 10 0 DEAELP C[C@H](NC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1)c1cccs1 ZINC000123195726 402115281 /nfs/dbraw/zinc/11/52/81/402115281.db2.gz PBCKJTZFUNWYTI-HZSPNIEDSA-N 2 2 309.479 2.340 10 0 DEAELP C[C@H](NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cccs1 ZINC000123195726 402115283 /nfs/dbraw/zinc/11/52/83/402115283.db2.gz PBCKJTZFUNWYTI-HZSPNIEDSA-N 2 2 309.479 2.340 10 0 DEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@H](C(N)=O)c1ccc(F)cc1 ZINC000154541210 402217757 /nfs/dbraw/zinc/21/77/57/402217757.db2.gz HWVJLMVCJZWEHJ-CVEARBPZSA-N 2 2 316.380 2.022 10 0 DEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@H](C(N)=O)c1ccc(F)cc1 ZINC000154541210 402217760 /nfs/dbraw/zinc/21/77/60/402217760.db2.gz HWVJLMVCJZWEHJ-CVEARBPZSA-N 2 2 316.380 2.022 10 0 DEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)NC2CCCC2)C1 ZINC000105896561 402210652 /nfs/dbraw/zinc/21/06/52/402210652.db2.gz QYZSLRVMLKBOHN-OAHLLOKOSA-N 2 2 304.438 2.141 10 0 DEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)NC2CCCC2)C1 ZINC000105896561 402210654 /nfs/dbraw/zinc/21/06/54/402210654.db2.gz QYZSLRVMLKBOHN-OAHLLOKOSA-N 2 2 304.438 2.141 10 0 DEAELP C[NH+](C)Cc1ccc(C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cc1 ZINC000177750190 402432351 /nfs/dbraw/zinc/43/23/51/402432351.db2.gz BOOZFIGZQADASR-QGZVFWFLSA-N 2 2 312.417 2.250 10 0 DEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N(C)c2ccccc2)[C@@H](C)C1 ZINC000245426298 402459017 /nfs/dbraw/zinc/45/90/17/402459017.db2.gz LFADHMHNYADZQF-RDJZCZTQSA-N 2 2 303.450 2.312 10 0 DEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N(C)c2ccccc2)[C@@H](C)C1 ZINC000245426298 402459020 /nfs/dbraw/zinc/45/90/20/402459020.db2.gz LFADHMHNYADZQF-RDJZCZTQSA-N 2 2 303.450 2.312 10 0 DEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N(C)c2ccccc2)[C@@H](C)C1 ZINC000245426298 402459022 /nfs/dbraw/zinc/45/90/22/402459022.db2.gz LFADHMHNYADZQF-RDJZCZTQSA-N 2 2 303.450 2.312 10 0 DEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N(C)c2ccccc2)[C@@H](C)C1 ZINC000245426298 402459024 /nfs/dbraw/zinc/45/90/24/402459024.db2.gz LFADHMHNYADZQF-RDJZCZTQSA-N 2 2 303.450 2.312 10 0 DEAELP CC(C)Cn1ncnc1C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245517136 402467780 /nfs/dbraw/zinc/46/77/80/402467780.db2.gz GPLJJORVYSOIQK-LSDHHAIUSA-N 2 2 302.426 2.214 10 0 DEAELP CC(C)Cn1ncnc1C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245517136 402467783 /nfs/dbraw/zinc/46/77/83/402467783.db2.gz GPLJJORVYSOIQK-LSDHHAIUSA-N 2 2 302.426 2.214 10 0 DEAELP CCCn1c(C)nnc1C[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245715326 402482156 /nfs/dbraw/zinc/48/21/56/402482156.db2.gz UAZCHPVOYOOQIJ-ZFWWWQNUSA-N 2 2 302.426 2.276 10 0 DEAELP CCCn1c(C)nnc1C[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245715326 402482157 /nfs/dbraw/zinc/48/21/57/402482157.db2.gz UAZCHPVOYOOQIJ-ZFWWWQNUSA-N 2 2 302.426 2.276 10 0 DEAELP O=C1NCCCC[C@@H]1[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000246006279 402503082 /nfs/dbraw/zinc/50/30/82/402503082.db2.gz YVYUKYYQUIOUEB-IRXDYDNUSA-N 2 2 307.482 2.243 10 0 DEAELP O=C1NCCCC[C@@H]1[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000246006279 402503085 /nfs/dbraw/zinc/50/30/85/402503085.db2.gz YVYUKYYQUIOUEB-IRXDYDNUSA-N 2 2 307.482 2.243 10 0 DEAELP Cc1cncc(C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)c1 ZINC000189873508 402563855 /nfs/dbraw/zinc/56/38/55/402563855.db2.gz FOQIRQRGUIKLKS-UHFFFAOYSA-N 2 2 313.449 2.183 10 0 DEAELP Cc1cncc(C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)c1 ZINC000189873508 402563856 /nfs/dbraw/zinc/56/38/56/402563856.db2.gz FOQIRQRGUIKLKS-UHFFFAOYSA-N 2 2 313.449 2.183 10 0 DEAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(CCO)CC1 ZINC000188059353 402514720 /nfs/dbraw/zinc/51/47/20/402514720.db2.gz GKNAYFWTMGSYRO-WBVHZDCISA-N 2 2 303.450 2.044 10 0 DEAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(CCO)CC1 ZINC000188059353 402514722 /nfs/dbraw/zinc/51/47/22/402514722.db2.gz GKNAYFWTMGSYRO-WBVHZDCISA-N 2 2 303.450 2.044 10 0 DEAELP CC(C)c1nnc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)n1C ZINC000179433416 402589822 /nfs/dbraw/zinc/58/98/22/402589822.db2.gz YJWHVUOTVUAFPW-CQSZACIVSA-N 2 2 316.453 2.127 10 0 DEAELP CC(C)c1nnc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)n1C ZINC000179433416 402589824 /nfs/dbraw/zinc/58/98/24/402589824.db2.gz YJWHVUOTVUAFPW-CQSZACIVSA-N 2 2 316.453 2.127 10 0 DEAELP O[C@H](C[NH2+]Cc1ccc(OCC2CC2)cc1)C[NH+]1CCCCC1 ZINC000190855348 402627597 /nfs/dbraw/zinc/62/75/97/402627597.db2.gz AQLWMOZPKFRTOJ-GOSISDBHSA-N 2 2 318.461 2.412 10 0 DEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@H](O)COCC(C)C)C1 ZINC000171625440 402602635 /nfs/dbraw/zinc/60/26/35/402602635.db2.gz SMZJJSCAKJAMIB-CVEARBPZSA-N 2 2 309.454 2.116 10 0 DEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@H](O)COCC(C)C)C1 ZINC000171625440 402602636 /nfs/dbraw/zinc/60/26/36/402602636.db2.gz SMZJJSCAKJAMIB-CVEARBPZSA-N 2 2 309.454 2.116 10 0 DEAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(Cc2[nH+]ccn2C)C1 ZINC000190470090 402603328 /nfs/dbraw/zinc/60/33/28/402603328.db2.gz ZXZGGRFGPPQNAU-AWEZNQCLSA-N 2 2 319.478 2.139 10 0 DEAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(Cc2[nH+]ccn2C)C1 ZINC000190470090 402603331 /nfs/dbraw/zinc/60/33/31/402603331.db2.gz ZXZGGRFGPPQNAU-AWEZNQCLSA-N 2 2 319.478 2.139 10 0 DEAELP CCn1cc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)cn1 ZINC000190476014 402604120 /nfs/dbraw/zinc/60/41/20/402604120.db2.gz MPCSRLRWPFFCKJ-KRWDZBQOSA-N 2 2 313.449 2.252 10 0 DEAELP CCn1cc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)cn1 ZINC000190476014 402604121 /nfs/dbraw/zinc/60/41/21/402604121.db2.gz MPCSRLRWPFFCKJ-KRWDZBQOSA-N 2 2 313.449 2.252 10 0 DEAELP CCn1cc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)cn1 ZINC000190476014 402604124 /nfs/dbraw/zinc/60/41/24/402604124.db2.gz MPCSRLRWPFFCKJ-KRWDZBQOSA-N 2 2 313.449 2.252 10 0 DEAELP CCCNC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180660333 402622427 /nfs/dbraw/zinc/62/24/27/402622427.db2.gz UEGUCJOCKAJBNI-KBPBESRZSA-N 2 2 300.406 2.438 10 0 DEAELP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cc(C(N)=O)cs2)C1 ZINC000182090865 402666947 /nfs/dbraw/zinc/66/69/47/402666947.db2.gz QIGLGKBVLAYLKJ-GFCCVEGCSA-N 2 2 318.446 2.035 10 0 DEAELP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cc(C(N)=O)cs2)C1 ZINC000182090865 402666950 /nfs/dbraw/zinc/66/69/50/402666950.db2.gz QIGLGKBVLAYLKJ-GFCCVEGCSA-N 2 2 318.446 2.035 10 0 DEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1ncnn1CC(C)C ZINC000182828002 402719739 /nfs/dbraw/zinc/71/97/39/402719739.db2.gz ZAHSXWCJXPZUIL-HNNXBMFYSA-N 2 2 302.426 2.104 10 0 DEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ncnn1CC(C)C ZINC000182828002 402719741 /nfs/dbraw/zinc/71/97/41/402719741.db2.gz ZAHSXWCJXPZUIL-HNNXBMFYSA-N 2 2 302.426 2.104 10 0 DEAELP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263304277 402756420 /nfs/dbraw/zinc/75/64/20/402756420.db2.gz XOWDTJPYYSUREB-QWHCGFSZSA-N 2 2 317.424 2.000 10 0 DEAELP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263304277 402756422 /nfs/dbraw/zinc/75/64/22/402756422.db2.gz XOWDTJPYYSUREB-QWHCGFSZSA-N 2 2 317.424 2.000 10 0 DEAELP CCCCNC(=O)[C@H](C)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515884 402848679 /nfs/dbraw/zinc/84/86/79/402848679.db2.gz FCUKZMQSGUBTEO-LSDHHAIUSA-N 2 2 304.438 2.120 10 0 DEAELP CCCCNC(=O)[C@H](C)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515884 402848681 /nfs/dbraw/zinc/84/86/81/402848681.db2.gz FCUKZMQSGUBTEO-LSDHHAIUSA-N 2 2 304.438 2.120 10 0 DEAELP Cc1nc(N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)nc(N)[nH+]1 ZINC000309931410 403964495 /nfs/dbraw/zinc/96/44/95/403964495.db2.gz WHXOIUKWTVCZEE-IUODEOHRSA-N 2 2 312.421 2.085 10 0 DEAELP Cc1nc(N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nc(N)[nH+]1 ZINC000309931410 403964499 /nfs/dbraw/zinc/96/44/99/403964499.db2.gz WHXOIUKWTVCZEE-IUODEOHRSA-N 2 2 312.421 2.085 10 0 DEAELP Cc1nc(N)nc(N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)[nH+]1 ZINC000309931410 403964506 /nfs/dbraw/zinc/96/45/06/403964506.db2.gz WHXOIUKWTVCZEE-IUODEOHRSA-N 2 2 312.421 2.085 10 0 DEAELP Cc1nc(N)nc(N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[nH+]1 ZINC000309931410 403964512 /nfs/dbraw/zinc/96/45/12/403964512.db2.gz WHXOIUKWTVCZEE-IUODEOHRSA-N 2 2 312.421 2.085 10 0 DEAELP CC[C@H](C)NC(=O)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000370023204 404308720 /nfs/dbraw/zinc/30/87/20/404308720.db2.gz XBAKNUIVRIYHII-LSDHHAIUSA-N 2 2 318.465 2.314 10 0 DEAELP CC[C@H](C)NC(=O)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000370023204 404308722 /nfs/dbraw/zinc/30/87/22/404308722.db2.gz XBAKNUIVRIYHII-LSDHHAIUSA-N 2 2 318.465 2.314 10 0 DEAELP CCc1cc(NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cc(C)no2)cc[nH+]1 ZINC000450463962 405912771 /nfs/dbraw/zinc/91/27/71/405912771.db2.gz UPEAQSYGGJHKTN-BBRMVZONSA-N 2 2 318.396 2.387 10 0 DEAELP CCc1cc(NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cc(C)no2)cc[nH+]1 ZINC000450463962 405912776 /nfs/dbraw/zinc/91/27/76/405912776.db2.gz UPEAQSYGGJHKTN-BBRMVZONSA-N 2 2 318.396 2.387 10 0 DEAELP c1ccc(N2CC[NH+](CCC[N@@H+]3C[C@@H]4C[C@H]3CS4)CC2)cc1 ZINC000459790771 406047712 /nfs/dbraw/zinc/04/77/12/406047712.db2.gz GXBRXXGDRFJSNZ-ROUUACIJSA-N 2 2 317.502 2.388 10 0 DEAELP c1ccc(N2CC[NH+](CCC[N@H+]3C[C@@H]4C[C@H]3CS4)CC2)cc1 ZINC000459790771 406047715 /nfs/dbraw/zinc/04/77/15/406047715.db2.gz GXBRXXGDRFJSNZ-ROUUACIJSA-N 2 2 317.502 2.388 10 0 DEAELP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cnnn2Cc2ccccc2)C1 ZINC000569064650 292386711 /nfs/dbraw/zinc/38/67/11/292386711.db2.gz JFAXHOPHMHAQKK-KRWDZBQOSA-N 2 2 313.449 2.146 10 0 DEAELP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cnnn2Cc2ccccc2)C1 ZINC000569064650 292386713 /nfs/dbraw/zinc/38/67/13/292386713.db2.gz JFAXHOPHMHAQKK-KRWDZBQOSA-N 2 2 313.449 2.146 10 0 DEAELP C([NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)C1([C@H]2CCCCO2)CCC1 ZINC000635012517 406399279 /nfs/dbraw/zinc/39/92/79/406399279.db2.gz MVEWJYNALBJHKG-BBWFWOEESA-N 2 2 308.466 2.082 10 0 DEAELP CCC[NH+]1CCC(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)CC1 ZINC000524790112 406461049 /nfs/dbraw/zinc/46/10/49/406461049.db2.gz MQSRTOBJRWBLDR-UHFFFAOYSA-N 2 2 319.453 2.173 10 0 DEAELP CC[N@@H+]1CCCN(C(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)CC1 ZINC000526003740 406531728 /nfs/dbraw/zinc/53/17/28/406531728.db2.gz ZXYJCPBGPHECGO-CQSZACIVSA-N 2 2 318.465 2.192 10 0 DEAELP CC[N@H+]1CCCN(C(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)CC1 ZINC000526003740 406531732 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HERAPKWRKANTGY-KBPBESRZSA-N 2 2 318.465 2.191 10 0 DEAELP CCC[N@@H+]1CCC[C@@H]1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000129260053 196034318 /nfs/dbraw/zinc/03/43/18/196034318.db2.gz DDRHQRZANXYTNJ-MRXNPFEDSA-N 2 2 316.449 2.041 10 0 DEAELP CCC[N@H+]1CCC[C@@H]1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000129260053 196034320 /nfs/dbraw/zinc/03/43/20/196034320.db2.gz DDRHQRZANXYTNJ-MRXNPFEDSA-N 2 2 316.449 2.041 10 0 DEAELP C[C@@H](c1cnccn1)[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195269492 225200101 /nfs/dbraw/zinc/20/01/01/225200101.db2.gz YHIWDYRYLWGDOZ-DOTOQJQBSA-N 2 2 311.433 2.387 10 0 DEAELP C[C@@H](c1cnccn1)[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195269492 225200104 /nfs/dbraw/zinc/20/01/04/225200104.db2.gz YHIWDYRYLWGDOZ-DOTOQJQBSA-N 2 2 311.433 2.387 10 0 DEAELP C[C@@H](c1cnccn1)[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195269492 225200112 /nfs/dbraw/zinc/20/01/12/225200112.db2.gz YHIWDYRYLWGDOZ-DOTOQJQBSA-N 2 2 311.433 2.387 10 0 DEAELP C[C@H](c1cnccn1)[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195269506 225200905 /nfs/dbraw/zinc/20/09/05/225200905.db2.gz YHIWDYRYLWGDOZ-NVXWUHKLSA-N 2 2 311.433 2.387 10 0 DEAELP C[C@H](c1cnccn1)[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195269506 225200908 /nfs/dbraw/zinc/20/09/08/225200908.db2.gz YHIWDYRYLWGDOZ-NVXWUHKLSA-N 2 2 311.433 2.387 10 0 DEAELP C[C@H](c1cnccn1)[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195269506 225200917 /nfs/dbraw/zinc/20/09/17/225200917.db2.gz YHIWDYRYLWGDOZ-NVXWUHKLSA-N 2 2 311.433 2.387 10 0 DEAELP Cc1ccc(C)c(OC[C@@H](O)C[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000193811640 424871364 /nfs/dbraw/zinc/87/13/64/424871364.db2.gz FHZZKRVJCOSDMM-KRWDZBQOSA-N 2 2 306.450 2.069 10 0 DEAELP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCc3[nH+]c[nH]c32)[C@@H](C)C1 ZINC000370477429 276398810 /nfs/dbraw/zinc/39/88/10/276398810.db2.gz OKYMNRPZUHYNHW-YDHLFZDLSA-N 2 2 304.438 2.018 10 0 DEAELP CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCc3[nH+]c[nH]c32)[C@@H](C)C1 ZINC000370477429 276398811 /nfs/dbraw/zinc/39/88/11/276398811.db2.gz OKYMNRPZUHYNHW-YDHLFZDLSA-N 2 2 304.438 2.018 10 0 DEAELP Cc1nc2c(s1)[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)CCC2 ZINC000151319098 279117271 /nfs/dbraw/zinc/11/72/71/279117271.db2.gz ZOMGULAINGDENM-KGLIPLIRSA-N 2 2 309.479 2.265 10 0 DEAELP CC[N@@H+]1CCC[C@H](NC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)C1 ZINC000247608149 279318673 /nfs/dbraw/zinc/31/86/73/279318673.db2.gz LYZGZCZJTQQDPV-KBPBESRZSA-N 2 2 305.426 2.131 10 0 DEAELP CC[N@H+]1CCC[C@H](NC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)C1 ZINC000247608149 279318677 /nfs/dbraw/zinc/31/86/77/279318677.db2.gz LYZGZCZJTQQDPV-KBPBESRZSA-N 2 2 305.426 2.131 10 0 DEAELP C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261879752 298115961 /nfs/dbraw/zinc/11/59/61/298115961.db2.gz UNJDDYCWUJWGQG-CKEIUWERSA-N 2 2 315.461 2.412 10 0 DEAELP C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261879752 298115963 /nfs/dbraw/zinc/11/59/63/298115963.db2.gz UNJDDYCWUJWGQG-CKEIUWERSA-N 2 2 315.461 2.412 10 0 DEAELP C[C@H](CC1CCOCC1)[NH2+][C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000328646185 533787694 /nfs/dbraw/zinc/78/76/94/533787694.db2.gz SLXJCSZIBBWOFE-UNEWFSDZSA-N 2 2 307.438 2.435 10 0 DEAELP CCC[C@H](C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1)[NH+](C)C ZINC000162156543 520975554 /nfs/dbraw/zinc/97/55/54/520975554.db2.gz UCITVWDUHGQWDL-DOTOQJQBSA-N 2 2 318.465 2.017 10 0 DEAELP CC(C)(C)c1nnc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)s1 ZINC000261978219 534926661 /nfs/dbraw/zinc/92/66/61/534926661.db2.gz RIXIQTGFXKHCCW-XQQFMLRXSA-N 2 2 324.494 2.082 10 0 DEAELP C[C@@H](CNC(=O)Nc1ccc2[nH+]ccn2c1)[NH+]1CCCCC1 ZINC000738951540 635678875 /nfs/dbraw/zinc/67/88/75/635678875.db2.gz WROJNLDWMNELDC-ZDUSSCGKSA-N 2 2 301.394 2.330 10 0 DEAELP Cc1nc(N2CCN(C[C@@H]3CCCC[N@H+]3C(C)C)CC2)cc[nH+]1 ZINC000450747787 282187043 /nfs/dbraw/zinc/18/70/43/282187043.db2.gz UVYFSQXRBNUSPH-KRWDZBQOSA-N 2 2 317.481 2.170 10 0 DEAELP Cc1nc(N2CCN(C[C@@H]3CCCC[N@@H+]3C(C)C)CC2)cc[nH+]1 ZINC000450747787 282187044 /nfs/dbraw/zinc/18/70/44/282187044.db2.gz UVYFSQXRBNUSPH-KRWDZBQOSA-N 2 2 317.481 2.170 10 0 DEAELP COCCC[C@H]([NH3+])C[NH2+]Cc1cc(Br)cs1 ZINC000088006026 185238065 /nfs/dbraw/zinc/23/80/65/185238065.db2.gz DBLOIDVHMZHPTK-JTQLQIEISA-N 2 2 307.257 2.354 10 0 DEAELP CC(C)[NH2+][C@@](CO)(C[NH+]1CCC(C(F)(F)F)CC1)C1CC1 ZINC000088439707 185250802 /nfs/dbraw/zinc/25/08/02/185250802.db2.gz CLKMTYJPEORBHT-CQSZACIVSA-N 2 2 308.388 2.400 10 0 DEAELP CC1(C)[C@@H]2C[NH2+]C[C@H]2C[N@@H+]1Cc1nc(-c2cccs2)no1 ZINC000090337438 185291747 /nfs/dbraw/zinc/29/17/47/185291747.db2.gz SKGUOASUYSUUCA-WDEREUQCSA-N 2 2 304.419 2.228 10 0 DEAELP CC1(C)[C@@H]2C[NH2+]C[C@H]2C[N@H+]1Cc1nc(-c2cccs2)no1 ZINC000090337438 185291748 /nfs/dbraw/zinc/29/17/48/185291748.db2.gz SKGUOASUYSUUCA-WDEREUQCSA-N 2 2 304.419 2.228 10 0 DEAELP C[N@@H+](Cc1ccc(CO)o1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000328630314 529984398 /nfs/dbraw/zinc/98/43/98/529984398.db2.gz JFLKDCSFAANCPZ-YJBOKZPZSA-N 2 2 315.417 2.292 10 0 DEAELP C[N@H+](Cc1ccc(CO)o1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000328630314 529984399 /nfs/dbraw/zinc/98/43/99/529984399.db2.gz JFLKDCSFAANCPZ-YJBOKZPZSA-N 2 2 315.417 2.292 10 0 DEAELP C[NH+](Cc1ccc(CO)o1)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000328630314 529984401 /nfs/dbraw/zinc/98/44/01/529984401.db2.gz JFLKDCSFAANCPZ-YJBOKZPZSA-N 2 2 315.417 2.292 10 0 DEAELP C[NH+](Cc1ccc(CO)o1)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000328630314 529984402 /nfs/dbraw/zinc/98/44/02/529984402.db2.gz JFLKDCSFAANCPZ-YJBOKZPZSA-N 2 2 315.417 2.292 10 0 DEAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](CCOCC2CC2)C1 ZINC000195296444 530006839 /nfs/dbraw/zinc/00/68/39/530006839.db2.gz AMHPTOFFPUVIPX-GOSISDBHSA-N 2 2 303.450 2.262 10 0 DEAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](CCOCC2CC2)C1 ZINC000195296444 530006841 /nfs/dbraw/zinc/00/68/41/530006841.db2.gz AMHPTOFFPUVIPX-GOSISDBHSA-N 2 2 303.450 2.262 10 0 DEAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](CCOCC2CC2)C1 ZINC000195296444 530006843 /nfs/dbraw/zinc/00/68/43/530006843.db2.gz AMHPTOFFPUVIPX-GOSISDBHSA-N 2 2 303.450 2.262 10 0 DEAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](CCOCC2CC2)C1 ZINC000195296444 530006844 /nfs/dbraw/zinc/00/68/44/530006844.db2.gz AMHPTOFFPUVIPX-GOSISDBHSA-N 2 2 303.450 2.262 10 0 DEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@H]2CCCC[C@@H]2C)[C@@H](C)C1 ZINC000245414250 282385325 /nfs/dbraw/zinc/38/53/25/282385325.db2.gz CCVCVURDHCBAGA-NXOAAHMSSA-N 2 2 309.498 2.343 10 0 DEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@H]2CCCC[C@@H]2C)[C@@H](C)C1 ZINC000245414250 282385327 /nfs/dbraw/zinc/38/53/27/282385327.db2.gz CCVCVURDHCBAGA-NXOAAHMSSA-N 2 2 309.498 2.343 10 0 DEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@@H]2CCCC[C@@H]2C)[C@@H](C)C1 ZINC000245414250 282385329 /nfs/dbraw/zinc/38/53/29/282385329.db2.gz CCVCVURDHCBAGA-NXOAAHMSSA-N 2 2 309.498 2.343 10 0 DEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@@H]2CCCC[C@@H]2C)[C@@H](C)C1 ZINC000245414250 282385331 /nfs/dbraw/zinc/38/53/31/282385331.db2.gz CCVCVURDHCBAGA-NXOAAHMSSA-N 2 2 309.498 2.343 10 0 DEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N2[C@H](C)CCC[C@@H]2C)[C@@H](C)C1 ZINC000245428441 282387229 /nfs/dbraw/zinc/38/72/29/282387229.db2.gz MOEAAKFUJFAJCX-NXOAAHMSSA-N 2 2 309.498 2.438 10 0 DEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N2[C@H](C)CCC[C@@H]2C)[C@@H](C)C1 ZINC000245428441 282387230 /nfs/dbraw/zinc/38/72/30/282387230.db2.gz MOEAAKFUJFAJCX-NXOAAHMSSA-N 2 2 309.498 2.438 10 0 DEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N2[C@H](C)CCC[C@@H]2C)[C@@H](C)C1 ZINC000245428441 282387232 /nfs/dbraw/zinc/38/72/32/282387232.db2.gz MOEAAKFUJFAJCX-NXOAAHMSSA-N 2 2 309.498 2.438 10 0 DEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N2[C@H](C)CCC[C@@H]2C)[C@@H](C)C1 ZINC000245428441 282387233 /nfs/dbraw/zinc/38/72/33/282387233.db2.gz MOEAAKFUJFAJCX-NXOAAHMSSA-N 2 2 309.498 2.438 10 0 DEAELP CC(=O)Nc1ccc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000181987684 199372110 /nfs/dbraw/zinc/37/21/10/199372110.db2.gz QVFLABPYUKXXRH-KSSFIOAISA-N 2 2 319.449 2.142 10 0 DEAELP Cc1[nH+]c2ccccc2n1CC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000172058392 198033345 /nfs/dbraw/zinc/03/33/45/198033345.db2.gz KFDYCDLPNFSQRS-DZGCQCFKSA-N 2 2 312.417 2.040 10 0 DEAELP Cc1[nH+]c2ccccc2n1CC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000172058392 198033346 /nfs/dbraw/zinc/03/33/46/198033346.db2.gz KFDYCDLPNFSQRS-DZGCQCFKSA-N 2 2 312.417 2.040 10 0 DEAELP COCCC[N@H+](C)CCNc1cc(C)[nH+]c(-c2cccnc2)n1 ZINC000172771562 198147767 /nfs/dbraw/zinc/14/77/67/198147767.db2.gz ACUKVQNSIWDZJO-UHFFFAOYSA-N 2 2 315.421 2.227 10 0 DEAELP COCCC[N@@H+](C)CCNc1cc(C)[nH+]c(-c2cccnc2)n1 ZINC000172771562 198147769 /nfs/dbraw/zinc/14/77/69/198147769.db2.gz ACUKVQNSIWDZJO-UHFFFAOYSA-N 2 2 315.421 2.227 10 0 DEAELP Cn1c(C[N@H+](C)CCCn2cc[nH+]c2)nnc1-c1ccccc1 ZINC000181064101 356071054 /nfs/dbraw/zinc/07/10/54/356071054.db2.gz XLFHPKTWGYJWFE-UHFFFAOYSA-N 2 2 310.405 2.201 10 0 DEAELP Cn1c(C[N@@H+](C)CCCn2cc[nH+]c2)nnc1-c1ccccc1 ZINC000181064101 356071058 /nfs/dbraw/zinc/07/10/58/356071058.db2.gz XLFHPKTWGYJWFE-UHFFFAOYSA-N 2 2 310.405 2.201 10 0 DEAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000400460069 283157014 /nfs/dbraw/zinc/15/70/14/283157014.db2.gz UGPNLICXDQDERL-ZNMIVQPWSA-N 2 2 311.470 2.316 10 0 DEAELP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000400460069 283157019 /nfs/dbraw/zinc/15/70/19/283157019.db2.gz UGPNLICXDQDERL-ZNMIVQPWSA-N 2 2 311.470 2.316 10 0 DEAELP CCCC[NH+]1CCC(NC(=O)[C@@H]2CCCn3cc[nH+]c32)CC1 ZINC000081713557 192316828 /nfs/dbraw/zinc/31/68/28/192316828.db2.gz TYPKIQHBZUSGQM-OAHLLOKOSA-N 2 2 304.438 2.141 10 0 DEAELP CCC[NH2+][C@H](CCCS(C)(=O)=O)C1([NH+](C)C)CCCCC1 ZINC000091648107 193084942 /nfs/dbraw/zinc/08/49/42/193084942.db2.gz ORSIKNWGVVUPAS-OAHLLOKOSA-N 2 2 318.527 2.444 10 0 DEAELP C[NH2+][C@@H](Cc1cc(OC)ccc1Br)C[NH+](C)C ZINC000091719668 193097280 /nfs/dbraw/zinc/09/72/80/193097280.db2.gz TVRKMAWAEVQDNP-NSHDSACASA-N 2 2 301.228 2.150 10 0 DEAELP Clc1ccccc1[C@H](CNC1=[NH+]CCCN1)[NH+]1CCCC1 ZINC000624514540 365454255 /nfs/dbraw/zinc/45/42/55/365454255.db2.gz IGSBKIGNQSKQIN-HNNXBMFYSA-N 2 2 306.841 2.416 10 0 DEAELP Cc1cc(C)n2c(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C)C3)cnc2n1 ZINC000092043350 193146465 /nfs/dbraw/zinc/14/64/65/193146465.db2.gz ARVZAZJLPXQQJE-WBVHZDCISA-N 2 2 313.449 2.262 10 0 DEAELP Cc1cc(C)n2c(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)cnc2n1 ZINC000092043350 193146466 /nfs/dbraw/zinc/14/64/66/193146466.db2.gz ARVZAZJLPXQQJE-WBVHZDCISA-N 2 2 313.449 2.262 10 0 DEAELP Cc1cc(C)n2c(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)cnc2n1 ZINC000092043350 193146467 /nfs/dbraw/zinc/14/64/67/193146467.db2.gz ARVZAZJLPXQQJE-WBVHZDCISA-N 2 2 313.449 2.262 10 0 DEAELP Cc1cc(C)n2c(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)cnc2n1 ZINC000092043350 193146468 /nfs/dbraw/zinc/14/64/68/193146468.db2.gz ARVZAZJLPXQQJE-WBVHZDCISA-N 2 2 313.449 2.262 10 0 DEAELP CC[NH2+][C@H](c1ccc(Cl)c(OC)c1)[C@H]1C[N@H+](C)CCN1C ZINC000094009140 193338267 /nfs/dbraw/zinc/33/82/67/193338267.db2.gz MYTSIOIJHPGMTE-GDBMZVCRSA-N 2 2 311.857 2.245 10 0 DEAELP CC[NH2+][C@H](c1ccc(Cl)c(OC)c1)[C@H]1C[N@@H+](C)CCN1C ZINC000094009140 193338269 /nfs/dbraw/zinc/33/82/69/193338269.db2.gz MYTSIOIJHPGMTE-GDBMZVCRSA-N 2 2 311.857 2.245 10 0 DEAELP C[NH2+][C@H](Cc1csc2ccccc12)[C@@H]1C[NH+]2CCN1CC2 ZINC000094509186 193375155 /nfs/dbraw/zinc/37/51/55/193375155.db2.gz GIDIRLLVWAELTL-CVEARBPZSA-N 2 2 301.459 2.032 10 0 DEAELP COCC[NH+](CCOC)[C@@H](c1ccc(Cl)cc1)[C@@H](C)[NH3+] ZINC000042945358 183320112 /nfs/dbraw/zinc/32/01/12/183320112.db2.gz LXOYZUWAVDKHAU-IUODEOHRSA-N 2 2 300.830 2.323 10 0 DEAELP COCC[N@H+](C)[C@H](c1ccc(Br)cc1)[C@@H](C)[NH3+] ZINC000042954366 183322216 /nfs/dbraw/zinc/32/22/16/183322216.db2.gz YKLXJYZCEPAQLP-MFKMUULPSA-N 2 2 301.228 2.416 10 0 DEAELP COCC[N@@H+](C)[C@H](c1ccc(Br)cc1)[C@@H](C)[NH3+] ZINC000042954366 183322219 /nfs/dbraw/zinc/32/22/19/183322219.db2.gz YKLXJYZCEPAQLP-MFKMUULPSA-N 2 2 301.228 2.416 10 0 DEAELP CC[C@@H]([NH3+])[C@@H](c1cccc(Cl)c1)[NH+]1CCC(C(N)=O)CC1 ZINC000042975092 183325253 /nfs/dbraw/zinc/32/52/53/183325253.db2.gz ICVHTOFLJJWAOJ-HUUCEWRRSA-N 2 2 309.841 2.316 10 0 DEAELP CC[C@@H]([NH3+])[C@@H](c1sccc1C)[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000043248009 183347373 /nfs/dbraw/zinc/34/73/73/183347373.db2.gz CKTDYXVTKLAENH-MCIONIFRSA-N 2 2 309.479 2.388 10 0 DEAELP CC[C@@H]([NH3+])[C@@H](c1sccc1C)[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000043248009 183347374 /nfs/dbraw/zinc/34/73/74/183347374.db2.gz CKTDYXVTKLAENH-MCIONIFRSA-N 2 2 309.479 2.388 10 0 DEAELP CC[N@H+](CCO)[C@@H](c1cc(Br)cs1)[C@@H](C)[NH3+] ZINC000043286223 183350872 /nfs/dbraw/zinc/35/08/72/183350872.db2.gz YXFRNQXHBIGPFO-LDYMZIIASA-N 2 2 307.257 2.213 10 0 DEAELP CC[N@@H+](CCO)[C@@H](c1cc(Br)cs1)[C@@H](C)[NH3+] ZINC000043286223 183350874 /nfs/dbraw/zinc/35/08/74/183350874.db2.gz YXFRNQXHBIGPFO-LDYMZIIASA-N 2 2 307.257 2.213 10 0 DEAELP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2ccccc2F)CC1 ZINC000109753545 194282952 /nfs/dbraw/zinc/28/29/52/194282952.db2.gz STNZIRGLEPVDLZ-QGZVFWFLSA-N 2 2 305.441 2.428 10 0 DEAELP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2ccccc2F)CC1 ZINC000109753545 194282954 /nfs/dbraw/zinc/28/29/54/194282954.db2.gz STNZIRGLEPVDLZ-QGZVFWFLSA-N 2 2 305.441 2.428 10 0 DEAELP COc1ccc(C[N@H+](C)[C@H]2CCC[NH2+]C2)cc1OC(F)F ZINC000110926032 194369832 /nfs/dbraw/zinc/36/98/32/194369832.db2.gz JXYJOVOZSUOOFG-LBPRGKRZSA-N 2 2 300.349 2.480 10 0 DEAELP COc1ccc(C[N@@H+](C)[C@H]2CCC[NH2+]C2)cc1OC(F)F ZINC000110926032 194369834 /nfs/dbraw/zinc/36/98/34/194369834.db2.gz JXYJOVOZSUOOFG-LBPRGKRZSA-N 2 2 300.349 2.480 10 0 DEAELP CC[NH2+][C@H]1CCCC[C@@H]1C[NH+]1CCN(CC(F)(F)F)CC1 ZINC000061947762 184198174 /nfs/dbraw/zinc/19/81/74/184198174.db2.gz WACWTWHFDHFEKA-KGLIPLIRSA-N 2 2 307.404 2.335 10 0 DEAELP C[NH2+]Cc1nc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cs1 ZINC000062036495 184203108 /nfs/dbraw/zinc/20/31/08/184203108.db2.gz AWIFTAURSHARCS-UHFFFAOYSA-N 3 2 308.495 2.170 10 0 DEAELP CN(Cc1[nH+]ccn1C)[C@@H](C[NH3+])c1ccccc1Br ZINC000062247508 184225288 /nfs/dbraw/zinc/22/52/88/184225288.db2.gz HFSNSTSLRPAFKH-ZDUSSCGKSA-N 2 2 323.238 2.314 10 0 DEAELP C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000270262563 208328335 /nfs/dbraw/zinc/32/83/35/208328335.db2.gz RUHXSZOUQLVGEP-HUUCEWRRSA-N 2 2 312.417 2.096 10 0 DEAELP COC(=O)[C@@H](C1CC1)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000359605973 133133909 /nfs/dbraw/zinc/13/39/09/133133909.db2.gz YJMPSWKNEQWVMO-FUHWJXTLSA-N 2 2 316.445 2.392 10 0 DEAELP COC(=O)[C@@H](C1CC1)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000359605973 133133910 /nfs/dbraw/zinc/13/39/10/133133910.db2.gz YJMPSWKNEQWVMO-FUHWJXTLSA-N 2 2 316.445 2.392 10 0 DEAELP COC(=O)[C@@H](C1CC1)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000359605973 133133911 /nfs/dbraw/zinc/13/39/11/133133911.db2.gz YJMPSWKNEQWVMO-FUHWJXTLSA-N 2 2 316.445 2.392 10 0 DEAELP COC(=O)[C@@H](C1CC1)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000359605973 133133912 /nfs/dbraw/zinc/13/39/12/133133912.db2.gz YJMPSWKNEQWVMO-FUHWJXTLSA-N 2 2 316.445 2.392 10 0 DEAELP C/C(=C\C(C)(C)C)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000368431267 133273108 /nfs/dbraw/zinc/27/31/08/133273108.db2.gz AVGXCFYFHAGEBX-ZQHYZAEZSA-N 2 2 307.482 2.264 10 0 DEAELP C/C(=C\C(C)(C)C)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000368431267 133273109 /nfs/dbraw/zinc/27/31/09/133273109.db2.gz AVGXCFYFHAGEBX-ZQHYZAEZSA-N 2 2 307.482 2.264 10 0 DEAELP Brc1cncc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000564419507 292094706 /nfs/dbraw/zinc/09/47/06/292094706.db2.gz JCXBAZQADFPDJL-NSHDSACASA-N 2 2 307.195 2.214 10 0 DEAELP Brc1cncc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000564419507 292094707 /nfs/dbraw/zinc/09/47/07/292094707.db2.gz JCXBAZQADFPDJL-NSHDSACASA-N 2 2 307.195 2.214 10 0 DEAELP C[N@H+]1C[C@@H]2C[NH+](Cc3cc(Cl)cc4c3OCOC4)C[C@@H]2C1 ZINC000193620970 145088210 /nfs/dbraw/zinc/08/82/10/145088210.db2.gz QUBGGOBAHGDEJJ-OKILXGFUSA-N 2 2 308.809 2.200 10 0 DEAELP C[N@@H+]1C[C@@H]2C[NH+](Cc3cc(Cl)cc4c3OCOC4)C[C@@H]2C1 ZINC000193620970 145088211 /nfs/dbraw/zinc/08/82/11/145088211.db2.gz QUBGGOBAHGDEJJ-OKILXGFUSA-N 2 2 308.809 2.200 10 0 DEAELP C[NH+]1C[C@@H]2C[N@@H+](Cc3cc(Cl)cc4c3OCOC4)C[C@@H]2C1 ZINC000193620970 145088212 /nfs/dbraw/zinc/08/82/12/145088212.db2.gz QUBGGOBAHGDEJJ-OKILXGFUSA-N 2 2 308.809 2.200 10 0 DEAELP C[NH+]1C[C@@H]2C[N@H+](Cc3cc(Cl)cc4c3OCOC4)C[C@@H]2C1 ZINC000193620970 145088213 /nfs/dbraw/zinc/08/82/13/145088213.db2.gz QUBGGOBAHGDEJJ-OKILXGFUSA-N 2 2 308.809 2.200 10 0 DEAELP C[C@@H]1CC[N@H+](CC(=O)N(C)Cc2ccco2)C[C@H]1n1cc[nH+]c1 ZINC000246300410 145098148 /nfs/dbraw/zinc/09/81/48/145098148.db2.gz PRRYYHZICDFZCI-GDBMZVCRSA-N 2 2 316.405 2.018 10 0 DEAELP C[C@@H]1CC[N@@H+](CC(=O)N(C)Cc2ccco2)C[C@H]1n1cc[nH+]c1 ZINC000246300410 145098149 /nfs/dbraw/zinc/09/81/49/145098149.db2.gz PRRYYHZICDFZCI-GDBMZVCRSA-N 2 2 316.405 2.018 10 0 DEAELP Cc1ccccc1CNC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247025165 145123528 /nfs/dbraw/zinc/12/35/28/145123528.db2.gz USOFYONACBRODL-DOTOQJQBSA-N 2 2 303.450 2.026 10 0 DEAELP Cc1ccccc1CNC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000247025165 145123530 /nfs/dbraw/zinc/12/35/30/145123530.db2.gz USOFYONACBRODL-DOTOQJQBSA-N 2 2 303.450 2.026 10 0 DEAELP Cc1ccccc1CNC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000247025165 145123532 /nfs/dbraw/zinc/12/35/32/145123532.db2.gz USOFYONACBRODL-DOTOQJQBSA-N 2 2 303.450 2.026 10 0 DEAELP Cc1ccccc1CNC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000247025165 145123534 /nfs/dbraw/zinc/12/35/34/145123534.db2.gz USOFYONACBRODL-DOTOQJQBSA-N 2 2 303.450 2.026 10 0 DEAELP C[C@H]1CC[N@H+](CC(=O)N(C)c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000247540318 145140749 /nfs/dbraw/zinc/14/07/49/145140749.db2.gz JYDYSGVSVPOAHT-DOTOQJQBSA-N 2 2 312.417 2.429 10 0 DEAELP C[C@H]1CC[N@@H+](CC(=O)N(C)c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000247540318 145140751 /nfs/dbraw/zinc/14/07/51/145140751.db2.gz JYDYSGVSVPOAHT-DOTOQJQBSA-N 2 2 312.417 2.429 10 0 DEAELP C[C@@H]1CC[N@H+](CC(=O)NCc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000247632519 145142432 /nfs/dbraw/zinc/14/24/32/145142432.db2.gz NWZJRZMUIBPIFD-NVXWUHKLSA-N 2 2 312.417 2.082 10 0 DEAELP C[C@@H]1CC[N@@H+](CC(=O)NCc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000247632519 145142433 /nfs/dbraw/zinc/14/24/33/145142433.db2.gz NWZJRZMUIBPIFD-NVXWUHKLSA-N 2 2 312.417 2.082 10 0 DEAELP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)c3c(F)cccc3F)CC[C@H]21 ZINC000248059907 145147283 /nfs/dbraw/zinc/14/72/83/145147283.db2.gz YBRDCWNSQIKDGS-DAXOMENPSA-N 2 2 310.388 2.414 10 0 DEAELP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)c3c(F)cccc3F)CC[C@H]21 ZINC000248059907 145147284 /nfs/dbraw/zinc/14/72/84/145147284.db2.gz YBRDCWNSQIKDGS-DAXOMENPSA-N 2 2 310.388 2.414 10 0 DEAELP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H](O)c3c(F)cccc3F)CC[C@H]21 ZINC000248059907 145147285 /nfs/dbraw/zinc/14/72/85/145147285.db2.gz YBRDCWNSQIKDGS-DAXOMENPSA-N 2 2 310.388 2.414 10 0 DEAELP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H](O)c3c(F)cccc3F)CC[C@H]21 ZINC000248059907 145147286 /nfs/dbraw/zinc/14/72/86/145147286.db2.gz YBRDCWNSQIKDGS-DAXOMENPSA-N 2 2 310.388 2.414 10 0 DEAELP Cc1cccc(NC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000248060558 145147396 /nfs/dbraw/zinc/14/73/96/145147396.db2.gz LUMXEHYMHHMIAJ-DOTOQJQBSA-N 2 2 301.434 2.350 10 0 DEAELP Cc1cccc(NC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000248060558 145147398 /nfs/dbraw/zinc/14/73/98/145147398.db2.gz LUMXEHYMHHMIAJ-DOTOQJQBSA-N 2 2 301.434 2.350 10 0 DEAELP Cc1cccc(NC(=O)C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000248060558 145147399 /nfs/dbraw/zinc/14/73/99/145147399.db2.gz LUMXEHYMHHMIAJ-DOTOQJQBSA-N 2 2 301.434 2.350 10 0 DEAELP Cc1cccc(NC(=O)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000248060558 145147400 /nfs/dbraw/zinc/14/74/00/145147400.db2.gz LUMXEHYMHHMIAJ-DOTOQJQBSA-N 2 2 301.434 2.350 10 0 DEAELP C[C@@H]([NH2+]CCN1CCO[C@@H](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000253355792 145201879 /nfs/dbraw/zinc/20/18/79/145201879.db2.gz UROZBQRUYPTKFC-JKSUJKDBSA-N 2 2 314.433 2.244 10 0 DEAELP CCCc1ccc([C@@H](C)[N@@H+](CC(N)=O)C[C@H]2CCC[NH2+]C2)cc1 ZINC000261797784 145227284 /nfs/dbraw/zinc/22/72/84/145227284.db2.gz GSGJGFRWHNQAGD-WBVHZDCISA-N 2 2 317.477 2.487 10 0 DEAELP CCCc1ccc([C@@H](C)[N@H+](CC(N)=O)C[C@H]2CCC[NH2+]C2)cc1 ZINC000261797784 145227285 /nfs/dbraw/zinc/22/72/85/145227285.db2.gz GSGJGFRWHNQAGD-WBVHZDCISA-N 2 2 317.477 2.487 10 0 DEAELP Cc1ccc(CNC(=O)[C@@H](C)[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000261828760 145231208 /nfs/dbraw/zinc/23/12/08/145231208.db2.gz YNNCOBDBWCEATP-ZBFHGGJFSA-N 2 2 303.450 2.059 10 0 DEAELP Cc1ccc(CNC(=O)[C@@H](C)[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000261828760 145231211 /nfs/dbraw/zinc/23/12/11/145231211.db2.gz YNNCOBDBWCEATP-ZBFHGGJFSA-N 2 2 303.450 2.059 10 0 DEAELP C[C@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])c1cccc(-n2cc[nH+]c2)c1 ZINC000261836523 145231965 /nfs/dbraw/zinc/23/19/65/145231965.db2.gz PEEXBOUCKFGMTH-YSVLISHTSA-N 2 2 312.417 2.425 10 0 DEAELP 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/nfs/dbraw/zinc/06/07/13/405060713.db2.gz YRHJANRJGZLBDC-IEBWSBKVSA-N 2 2 315.461 2.299 10 0 DEAELP C[C@]1(C[NH2+][C@@H]2CCCNC(=O)C2)CCC[N@H+]1Cc1ccccc1 ZINC000397967860 405060721 /nfs/dbraw/zinc/06/07/21/405060721.db2.gz YRHJANRJGZLBDC-IEBWSBKVSA-N 2 2 315.461 2.299 10 0 DEAELP c1nc(N2CCC[C@@]3(CC[NH2+]C3)C2)cc(N2CCCCC2)[nH+]1 ZINC000420252261 405300847 /nfs/dbraw/zinc/30/08/47/405300847.db2.gz NOFDIBLQDFXESW-KRWDZBQOSA-N 2 2 301.438 2.047 10 0 DEAELP c1nc(N2CCCCC2)cc(N2CCC[C@@]3(CC[NH2+]C3)C2)[nH+]1 ZINC000420252261 405300849 /nfs/dbraw/zinc/30/08/49/405300849.db2.gz NOFDIBLQDFXESW-KRWDZBQOSA-N 2 2 301.438 2.047 10 0 DEAELP COc1ccc([C@@](C)(O)[C@@H]2CCC[N@@H+]2CCn2cc[nH+]c2)cc1 ZINC000583619776 405776246 /nfs/dbraw/zinc/77/62/46/405776246.db2.gz FYJNYSVVNRAWRH-ZWKOTPCHSA-N 2 2 315.417 2.264 10 0 DEAELP COc1ccc([C@@](C)(O)[C@@H]2CCC[N@H+]2CCn2cc[nH+]c2)cc1 ZINC000583619776 405776248 /nfs/dbraw/zinc/77/62/48/405776248.db2.gz FYJNYSVVNRAWRH-ZWKOTPCHSA-N 2 2 315.417 2.264 10 0 DEAELP c1c2c(cc3c1OCCC[C@H]3[NH2+]C[C@@H]1C[NH2+]CCO1)CCCC2 ZINC000423531128 405845893 /nfs/dbraw/zinc/84/58/93/405845893.db2.gz XOYDROQNQXJOHJ-FUHWJXTLSA-N 2 2 316.445 2.357 10 0 DEAELP Cc1cc(C(=O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c(C)n1C ZINC000531494086 405968497 /nfs/dbraw/zinc/96/84/97/405968497.db2.gz YNWBYTDPZGAALP-UHFFFAOYSA-N 2 2 300.406 2.427 10 0 DEAELP c1nnn(Cc2ccccc2)c1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000490576902 406472080 /nfs/dbraw/zinc/47/20/80/406472080.db2.gz DSJJHOPPHZJKSI-DLBZAZTESA-N 2 2 311.433 2.043 10 0 DEAELP c1nnn(Cc2ccccc2)c1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000490576902 406472083 /nfs/dbraw/zinc/47/20/83/406472083.db2.gz DSJJHOPPHZJKSI-DLBZAZTESA-N 2 2 311.433 2.043 10 0 DEAELP C[N@H+](CC[C@H]1COCC[NH2+]1)Cc1ccc(Br)cc1 ZINC000129401934 196044816 /nfs/dbraw/zinc/04/48/16/196044816.db2.gz LYYDIZWFSHKUNO-AWEZNQCLSA-N 2 2 313.239 2.259 10 0 DEAELP C[N@@H+](CC[C@H]1COCC[NH2+]1)Cc1ccc(Br)cc1 ZINC000129401934 196044819 /nfs/dbraw/zinc/04/48/19/196044819.db2.gz LYYDIZWFSHKUNO-AWEZNQCLSA-N 2 2 313.239 2.259 10 0 DEAELP CCCNc1nc(N[C@H]2CC[N@H+](C)C2)c(Br)c[nH+]1 ZINC000130637384 196098257 /nfs/dbraw/zinc/09/82/57/196098257.db2.gz DUPJJAQJAJIHKP-VIFPVBQESA-N 2 2 314.231 2.177 10 0 DEAELP CCCNc1nc(N[C@H]2CC[N@@H+](C)C2)c(Br)c[nH+]1 ZINC000130637384 196098259 /nfs/dbraw/zinc/09/82/59/196098259.db2.gz DUPJJAQJAJIHKP-VIFPVBQESA-N 2 2 314.231 2.177 10 0 DEAELP COC[C@@H](C)[C@@H](C[NH3+])[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000131927361 196210894 /nfs/dbraw/zinc/21/08/94/196210894.db2.gz RPBLDIDJDGVALO-CZUORRHYSA-N 2 2 311.857 2.072 10 0 DEAELP COC[C@@H](C)[C@@H](C[NH3+])[N@H+](C)Cc1ccc(Br)cc1 ZINC000131957287 196213891 /nfs/dbraw/zinc/21/38/91/196213891.db2.gz PGNNVULTHCOPIU-BXUZGUMPSA-N 2 2 315.255 2.491 10 0 DEAELP COC[C@@H](C)[C@@H](C[NH3+])[N@@H+](C)Cc1ccc(Br)cc1 ZINC000131957287 196213892 /nfs/dbraw/zinc/21/38/92/196213892.db2.gz PGNNVULTHCOPIU-BXUZGUMPSA-N 2 2 315.255 2.491 10 0 DEAELP C[C@H](COCc1ccccc1)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000390527413 269097368 /nfs/dbraw/zinc/09/73/68/269097368.db2.gz JWWKKUUQKYSXOY-CQSZACIVSA-N 2 2 302.422 2.181 10 0 DEAELP CC[N@@H+]1CCC[C@@H](NC(=O)NCCCCNc2cccc[nH+]2)C1 ZINC000105174576 276166706 /nfs/dbraw/zinc/16/67/06/276166706.db2.gz YLJFUQVOUXISRR-OAHLLOKOSA-N 2 2 319.453 2.057 10 0 DEAELP CC[N@H+]1CCC[C@@H](NC(=O)NCCCCNc2cccc[nH+]2)C1 ZINC000105174576 276166708 /nfs/dbraw/zinc/16/67/08/276166708.db2.gz YLJFUQVOUXISRR-OAHLLOKOSA-N 2 2 319.453 2.057 10 0 DEAELP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000176995890 276181553 /nfs/dbraw/zinc/18/15/53/276181553.db2.gz OIMSDDMJGABSMK-KRWDZBQOSA-N 2 2 312.417 2.429 10 0 DEAELP CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000176995890 276181554 /nfs/dbraw/zinc/18/15/54/276181554.db2.gz OIMSDDMJGABSMK-KRWDZBQOSA-N 2 2 312.417 2.429 10 0 DEAELP COC1([C@H](C)[NH2+]C[C@@H](Cc2ccccc2)[NH+](C)C)CCOCC1 ZINC000453050708 277190642 /nfs/dbraw/zinc/19/06/42/277190642.db2.gz ADIHHNNKNVJZIE-FUHWJXTLSA-N 2 2 320.477 2.333 10 0 DEAELP C[C@H]([NH3+])CC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000261900072 279395116 /nfs/dbraw/zinc/39/51/16/279395116.db2.gz YTWSJJUQZMHAPY-DYQSUWPFSA-N 2 2 313.804 2.078 10 0 DEAELP C[C@H]([NH3+])CC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000261900072 279395120 /nfs/dbraw/zinc/39/51/20/279395120.db2.gz YTWSJJUQZMHAPY-DYQSUWPFSA-N 2 2 313.804 2.078 10 0 DEAELP CC1(C)C[N@@H+]([C@@H]2CCCN(c3ccccc3)C2=O)CC[C@H]1[NH3+] ZINC000261601172 281261367 /nfs/dbraw/zinc/26/13/67/281261367.db2.gz AEDVDHPRFINCTH-HZPDHXFCSA-N 2 2 301.434 2.241 10 0 DEAELP CC1(C)C[N@H+]([C@@H]2CCCN(c3ccccc3)C2=O)CC[C@H]1[NH3+] ZINC000261601172 281261370 /nfs/dbraw/zinc/26/13/70/281261370.db2.gz AEDVDHPRFINCTH-HZPDHXFCSA-N 2 2 301.434 2.241 10 0 DEAELP CC(C)(C)OC(=O)CC[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000163604507 518788930 /nfs/dbraw/zinc/78/89/30/518788930.db2.gz NXATVTDFYMAABA-UHFFFAOYSA-N 2 2 319.449 2.367 10 0 DEAELP CC(C)N(C(=O)C[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1)c1ccccc1 ZINC000262554086 534936883 /nfs/dbraw/zinc/93/68/83/534936883.db2.gz SYMWSRNRCZHHRP-INIZCTEOSA-N 2 2 303.450 2.487 10 0 DEAELP CC(C)N(C(=O)C[N@H+]1CC[C@H]([NH3+])C(C)(C)C1)c1ccccc1 ZINC000262554086 534936892 /nfs/dbraw/zinc/93/68/92/534936892.db2.gz SYMWSRNRCZHHRP-INIZCTEOSA-N 2 2 303.450 2.487 10 0 DEAELP CCO[C@@H]1C[C@H]([NH2+][C@H](C)C[NH+]2CCCCC2)C12CCOCC2 ZINC000248997435 535516590 /nfs/dbraw/zinc/51/65/90/535516590.db2.gz MIXZKBDEMMHFQC-IXDOHACOSA-N 2 2 310.482 2.425 10 0 DEAELP COC(=O)c1ccc(C[N@H+](CC[NH3+])CCc2ccccc2)cc1 ZINC000261953986 536662332 /nfs/dbraw/zinc/66/23/32/536662332.db2.gz GKWPWXKGTIGRIM-UHFFFAOYSA-N 2 2 312.413 2.477 10 0 DEAELP COC(=O)c1ccc(C[N@@H+](CC[NH3+])CCc2ccccc2)cc1 ZINC000261953986 536662337 /nfs/dbraw/zinc/66/23/37/536662337.db2.gz GKWPWXKGTIGRIM-UHFFFAOYSA-N 2 2 312.413 2.477 10 0 DEAELP CCOC(C[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1)OCC ZINC000195287344 625785159 /nfs/dbraw/zinc/78/51/59/625785159.db2.gz XXNPBPGFIJEGPG-QGZVFWFLSA-N 2 2 321.465 2.234 10 0 DEAELP CCOC(C[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1)OCC ZINC000195287344 625785169 /nfs/dbraw/zinc/78/51/69/625785169.db2.gz XXNPBPGFIJEGPG-QGZVFWFLSA-N 2 2 321.465 2.234 10 0 DEAELP CCOC(C[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1)OCC ZINC000195287344 625785181 /nfs/dbraw/zinc/78/51/81/625785181.db2.gz XXNPBPGFIJEGPG-QGZVFWFLSA-N 2 2 321.465 2.234 10 0 DEAELP CCOC(C[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1)OCC ZINC000195287344 625785190 /nfs/dbraw/zinc/78/51/90/625785190.db2.gz XXNPBPGFIJEGPG-QGZVFWFLSA-N 2 2 321.465 2.234 10 0 DEAELP CCOC(C[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1)OCC ZINC000195287355 625785634 /nfs/dbraw/zinc/78/56/34/625785634.db2.gz XXNPBPGFIJEGPG-KRWDZBQOSA-N 2 2 321.465 2.234 10 0 DEAELP CCOC(C[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1)OCC ZINC000195287355 625785643 /nfs/dbraw/zinc/78/56/43/625785643.db2.gz XXNPBPGFIJEGPG-KRWDZBQOSA-N 2 2 321.465 2.234 10 0 DEAELP CCOC(C[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1)OCC ZINC000195287355 625785652 /nfs/dbraw/zinc/78/56/52/625785652.db2.gz XXNPBPGFIJEGPG-KRWDZBQOSA-N 2 2 321.465 2.234 10 0 DEAELP CCOC(C[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1)OCC ZINC000195287355 625785661 /nfs/dbraw/zinc/78/56/61/625785661.db2.gz XXNPBPGFIJEGPG-KRWDZBQOSA-N 2 2 321.465 2.234 10 0 DEAELP Cc1nc(C[NH2+]CCn2cc[nH+]c2)sc1Br ZINC000719293026 1088931414 /nfs/dbraw/zinc/93/14/14/1088931414.db2.gz OYVRBSOSPOTONF-UHFFFAOYSA-N 2 2 301.213 2.200 10 0 DEAELP c1c(Cc2nc([C@@H]3C[NH+]4CCC3CC4)no2)[nH+]c2n1CCCC2 ZINC000351428450 1138277195 /nfs/dbraw/zinc/27/71/95/1138277195.db2.gz SDVAGSTWJSNQHV-CQSZACIVSA-N 2 2 313.405 2.002 10 0 DEAELP Brc1cc2c(cc1C[NH2+]CCc1c[nH+]c[nH]1)OCO2 ZINC000087538145 185228001 /nfs/dbraw/zinc/22/80/01/185228001.db2.gz JDBBPMYYNDBYOV-UHFFFAOYSA-N 2 2 324.178 2.233 10 0 DEAELP Brc1cc2c(cc1C[NH2+]CCc1c[nH]c[nH+]1)OCO2 ZINC000087538145 185228002 /nfs/dbraw/zinc/22/80/02/185228002.db2.gz JDBBPMYYNDBYOV-UHFFFAOYSA-N 2 2 324.178 2.233 10 0 DEAELP [NH3+]C[C@@]1(NCC(F)(F)F)CCC[N@H+](Cc2ccccc2)C1 ZINC000087929690 185237753 /nfs/dbraw/zinc/23/77/53/185237753.db2.gz JUJWZHKSPWCCCJ-AWEZNQCLSA-N 2 2 301.356 2.132 10 0 DEAELP [NH3+]C[C@@]1(NCC(F)(F)F)CCC[N@@H+](Cc2ccccc2)C1 ZINC000087929690 185237754 /nfs/dbraw/zinc/23/77/54/185237754.db2.gz JUJWZHKSPWCCCJ-AWEZNQCLSA-N 2 2 301.356 2.132 10 0 DEAELP CC1(C)[C@@H]2C[NH2+]C[C@@H]2C[N@@H+]1CC(=O)Nc1cccc(Cl)c1 ZINC000090337922 185291950 /nfs/dbraw/zinc/29/19/50/185291950.db2.gz NKEFSPUUYMOYHZ-BXUZGUMPSA-N 2 2 307.825 2.208 10 0 DEAELP CC1(C)[C@@H]2C[NH2+]C[C@@H]2C[N@H+]1CC(=O)Nc1cccc(Cl)c1 ZINC000090337922 185291951 /nfs/dbraw/zinc/29/19/51/185291951.db2.gz NKEFSPUUYMOYHZ-BXUZGUMPSA-N 2 2 307.825 2.208 10 0 DEAELP CC[N@@H+]1CC[C@H]([NH2+]Cc2cn(C)nc2C(F)(F)F)[C@H](C)C1 ZINC000090666181 185308807 /nfs/dbraw/zinc/30/88/07/185308807.db2.gz JQYRYQTWYAMMRG-PWSUYJOCSA-N 2 2 304.360 2.259 10 0 DEAELP CC[N@H+]1CC[C@H]([NH2+]Cc2cn(C)nc2C(F)(F)F)[C@H](C)C1 ZINC000090666181 185308808 /nfs/dbraw/zinc/30/88/08/185308808.db2.gz JQYRYQTWYAMMRG-PWSUYJOCSA-N 2 2 304.360 2.259 10 0 DEAELP CC[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2cocn2)CC1 ZINC000192287450 282341141 /nfs/dbraw/zinc/34/11/41/282341141.db2.gz HBXQDVKFRSLENU-UHFFFAOYSA-N 2 2 314.433 2.102 10 0 DEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NC2CCC(C)CC2)[C@@H](C)C1 ZINC000245421431 282386501 /nfs/dbraw/zinc/38/65/01/282386501.db2.gz HYOJMIYMRBOKKW-XGHPGWEVSA-N 2 2 309.498 2.343 10 0 DEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NC2CCC(C)CC2)[C@@H](C)C1 ZINC000245421431 282386504 /nfs/dbraw/zinc/38/65/04/282386504.db2.gz HYOJMIYMRBOKKW-XGHPGWEVSA-N 2 2 309.498 2.343 10 0 DEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NC2CCC(C)CC2)[C@@H](C)C1 ZINC000245421431 282386509 /nfs/dbraw/zinc/38/65/09/282386509.db2.gz HYOJMIYMRBOKKW-XGHPGWEVSA-N 2 2 309.498 2.343 10 0 DEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NC2CCC(C)CC2)[C@@H](C)C1 ZINC000245421431 282386511 /nfs/dbraw/zinc/38/65/11/282386511.db2.gz HYOJMIYMRBOKKW-XGHPGWEVSA-N 2 2 309.498 2.343 10 0 DEAELP C[N@@H+](Cc1ccc(OC(F)(F)F)cc1)C[C@H]1C[NH2+]CCO1 ZINC000125492574 539472600 /nfs/dbraw/zinc/47/26/00/539472600.db2.gz UCIAPVDKOUECEF-CYBMUJFWSA-N 2 2 304.312 2.005 10 0 DEAELP C[N@H+](Cc1ccc(OC(F)(F)F)cc1)C[C@H]1C[NH2+]CCO1 ZINC000125492574 539472603 /nfs/dbraw/zinc/47/26/03/539472603.db2.gz UCIAPVDKOUECEF-CYBMUJFWSA-N 2 2 304.312 2.005 10 0 DEAELP O[C@@H](C[NH2+][C@H]1CCCOc2cc(F)ccc21)C[NH+]1CCCCC1 ZINC000181987790 199371895 /nfs/dbraw/zinc/37/18/95/199371895.db2.gz AYQGSKTXQKISEQ-RDJZCZTQSA-N 2 2 322.424 2.476 10 0 DEAELP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000220526522 539727874 /nfs/dbraw/zinc/72/78/74/539727874.db2.gz RJTJJZDKBWHOJU-ZIAGYGMSSA-N 2 2 306.454 2.141 10 0 DEAELP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000220526522 539727875 /nfs/dbraw/zinc/72/78/75/539727875.db2.gz RJTJJZDKBWHOJU-ZIAGYGMSSA-N 2 2 306.454 2.141 10 0 DEAELP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000172054977 198031828 /nfs/dbraw/zinc/03/18/28/198031828.db2.gz KVBYBKMAWIVXNS-WMLDXEAASA-N 2 2 310.401 2.181 10 0 DEAELP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000172054977 198031830 /nfs/dbraw/zinc/03/18/30/198031830.db2.gz KVBYBKMAWIVXNS-WMLDXEAASA-N 2 2 310.401 2.181 10 0 DEAELP COC(=O)C1CCC([NH2+][C@H](Cc2ccccc2)C[NH+](C)C)CC1 ZINC000192439812 290941790 /nfs/dbraw/zinc/94/17/90/290941790.db2.gz NVOOVWQBQXTTCE-DAWZGUTISA-N 2 2 318.461 2.481 10 0 DEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N2CCc3ccccc32)[C@H](C)C1 ZINC000174775382 198383822 /nfs/dbraw/zinc/38/38/22/198383822.db2.gz RRZLUFKENWTZMI-WBVHZDCISA-N 2 2 315.461 2.238 10 0 DEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N2CCc3ccccc32)[C@H](C)C1 ZINC000174775382 198383823 /nfs/dbraw/zinc/38/38/23/198383823.db2.gz RRZLUFKENWTZMI-WBVHZDCISA-N 2 2 315.461 2.238 10 0 DEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N2CCc3ccccc32)[C@H](C)C1 ZINC000174775382 198383825 /nfs/dbraw/zinc/38/38/25/198383825.db2.gz RRZLUFKENWTZMI-WBVHZDCISA-N 2 2 315.461 2.238 10 0 DEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N2CCc3ccccc32)[C@H](C)C1 ZINC000174775382 198383827 /nfs/dbraw/zinc/38/38/27/198383827.db2.gz RRZLUFKENWTZMI-WBVHZDCISA-N 2 2 315.461 2.238 10 0 DEAELP CCc1[nH+]c(-c2ccc(OC)cc2)nc(N2CC[NH2+]CC2)c1C ZINC000073662787 191338890 /nfs/dbraw/zinc/33/88/90/191338890.db2.gz VTWPURAMCIPPPF-UHFFFAOYSA-N 2 2 312.417 2.433 10 0 DEAELP Cc1[nH+]ccn1-c1cncc(N2CCC[C@@H](c3[nH]cc[nH+]3)C2)n1 ZINC000091480164 355598102 /nfs/dbraw/zinc/59/81/02/355598102.db2.gz NDVIIICWSUVDIA-CYBMUJFWSA-N 2 2 309.377 2.078 10 0 DEAELP COC[C@@H]1CC[N@@H+]([C@@H](C[NH3+])c2ccc(OC(F)F)cc2)C1 ZINC000081049206 192218884 /nfs/dbraw/zinc/21/88/84/192218884.db2.gz VAFKILIBKFWIAP-RISCZKNCSA-N 2 2 300.349 2.256 10 0 DEAELP COC[C@@H]1CC[N@H+]([C@@H](C[NH3+])c2ccc(OC(F)F)cc2)C1 ZINC000081049206 192218887 /nfs/dbraw/zinc/21/88/87/192218887.db2.gz VAFKILIBKFWIAP-RISCZKNCSA-N 2 2 300.349 2.256 10 0 DEAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(C(=O)OCc3ccccc3)C2)C1 ZINC000401950202 283162023 /nfs/dbraw/zinc/16/20/23/283162023.db2.gz UDYKXRHWRSONBN-DLBZAZTESA-N 2 2 317.433 2.081 10 0 DEAELP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(C(=O)OCc3ccccc3)C2)C1 ZINC000401950202 283162027 /nfs/dbraw/zinc/16/20/27/283162027.db2.gz UDYKXRHWRSONBN-DLBZAZTESA-N 2 2 317.433 2.081 10 0 DEAELP c1cn([C@H]2CCC[N@H+](Cc3cc(-n4cc[nH+]c4)cs3)C2)nn1 ZINC000579829920 357038356 /nfs/dbraw/zinc/03/83/56/357038356.db2.gz XXGMRRAATHZXMP-ZDUSSCGKSA-N 2 2 314.418 2.362 10 0 DEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ncn(-c2ccccc2)n1 ZINC000179358654 199021224 /nfs/dbraw/zinc/02/12/24/199021224.db2.gz BBYVQXAJWXHQLS-QGZVFWFLSA-N 2 2 322.416 2.437 10 0 DEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ncn(-c2ccccc2)n1 ZINC000179358654 199021225 /nfs/dbraw/zinc/02/12/25/199021225.db2.gz BBYVQXAJWXHQLS-QGZVFWFLSA-N 2 2 322.416 2.437 10 0 DEAELP O=C(Nc1ccc2[nH+]ccn2c1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000606583597 361023128 /nfs/dbraw/zinc/02/31/28/361023128.db2.gz HTTAXKPZKLZDIL-GFCCVEGCSA-N 2 2 310.361 2.469 10 0 DEAELP Fc1ccccc1N1CC[NH+](CC[C@@H]2CSCC[NH2+]2)CC1 ZINC000091292043 193033369 /nfs/dbraw/zinc/03/33/69/193033369.db2.gz ORFPXKVIBHHXBK-CQSZACIVSA-N 2 2 309.454 2.043 10 0 DEAELP CC[NH2+][C@@H](CCCS(=O)(=O)CC)C(CC)(CC)[NH+](C)C ZINC000091614625 193079647 /nfs/dbraw/zinc/07/96/47/193079647.db2.gz CCRPZRUDTSYPCQ-AWEZNQCLSA-N 2 2 306.516 2.300 10 0 DEAELP c1cc(-c2noc(C[N@@H+]3CCC[C@H]4C[NH2+]CC[C@@H]43)n2)cs1 ZINC000631886686 368443601 /nfs/dbraw/zinc/44/36/01/368443601.db2.gz LGRLRTWGACNOGZ-AAEUAGOBSA-N 2 2 304.419 2.372 10 0 DEAELP c1cc(-c2noc(C[N@H+]3CCC[C@H]4C[NH2+]CC[C@@H]43)n2)cs1 ZINC000631886686 368443610 /nfs/dbraw/zinc/44/36/10/368443610.db2.gz LGRLRTWGACNOGZ-AAEUAGOBSA-N 2 2 304.419 2.372 10 0 DEAELP Brc1cncc(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)c1 ZINC000631890150 368445723 /nfs/dbraw/zinc/44/57/23/368445723.db2.gz PAVYSCGIXOVPTH-OCCSQVGLSA-N 2 2 310.239 2.418 10 0 DEAELP Brc1cncc(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)c1 ZINC000631890150 368445732 /nfs/dbraw/zinc/44/57/32/368445732.db2.gz PAVYSCGIXOVPTH-OCCSQVGLSA-N 2 2 310.239 2.418 10 0 DEAELP CCN(CC)C(=O)C[C@@H](C[NH3+])[N@H+](C)[C@@H](C)Cc1cccs1 ZINC000093267389 193222331 /nfs/dbraw/zinc/22/23/31/193222331.db2.gz XVHNSIBHOQEXOA-KBPBESRZSA-N 2 2 311.495 2.197 10 0 DEAELP CCN(CC)C(=O)C[C@@H](C[NH3+])[N@@H+](C)[C@@H](C)Cc1cccs1 ZINC000093267389 193222333 /nfs/dbraw/zinc/22/23/33/193222333.db2.gz XVHNSIBHOQEXOA-KBPBESRZSA-N 2 2 311.495 2.197 10 0 DEAELP CCN(CC)C(=O)C[C@H](C[NH3+])[N@H+](C)[C@@H](C)Cc1cccs1 ZINC000093267390 193222931 /nfs/dbraw/zinc/22/29/31/193222931.db2.gz XVHNSIBHOQEXOA-UONOGXRCSA-N 2 2 311.495 2.197 10 0 DEAELP CCN(CC)C(=O)C[C@H](C[NH3+])[N@@H+](C)[C@@H](C)Cc1cccs1 ZINC000093267390 193222933 /nfs/dbraw/zinc/22/29/33/193222933.db2.gz XVHNSIBHOQEXOA-UONOGXRCSA-N 2 2 311.495 2.197 10 0 DEAELP Cc1cc(C)n2c(C[NH+](C)[C@H]3CC[N@H+](C)[C@H](C)C3)cnc2n1 ZINC000093644360 193281334 /nfs/dbraw/zinc/28/13/34/193281334.db2.gz WVFMVTJDYVVOFN-HIFRSBDPSA-N 2 2 301.438 2.261 10 0 DEAELP Cc1cc(C)n2c(C[NH+](C)[C@H]3CC[N@@H+](C)[C@H](C)C3)cnc2n1 ZINC000093644360 193281336 /nfs/dbraw/zinc/28/13/36/193281336.db2.gz WVFMVTJDYVVOFN-HIFRSBDPSA-N 2 2 301.438 2.261 10 0 DEAELP Cc1cc(C)n2c(C[N@@H+](C)[C@H]3CC[NH+](C)[C@H](C)C3)cnc2n1 ZINC000093644360 193281338 /nfs/dbraw/zinc/28/13/38/193281338.db2.gz WVFMVTJDYVVOFN-HIFRSBDPSA-N 2 2 301.438 2.261 10 0 DEAELP Cc1cc(C)n2c(C[N@H+](C)[C@H]3CC[NH+](C)[C@H](C)C3)cnc2n1 ZINC000093644360 193281340 /nfs/dbraw/zinc/28/13/40/193281340.db2.gz WVFMVTJDYVVOFN-HIFRSBDPSA-N 2 2 301.438 2.261 10 0 DEAELP CCC[NH2+][C@H](Cc1cccc(Cl)c1)[C@@H]1C[N@H+](C)CCN1C ZINC000093895948 193325087 /nfs/dbraw/zinc/32/50/87/193325087.db2.gz QCMUFFBXXROKTG-SJORKVTESA-N 2 2 309.885 2.497 10 0 DEAELP CCC[NH2+][C@H](Cc1cccc(Cl)c1)[C@@H]1C[N@@H+](C)CCN1C ZINC000093895948 193325089 /nfs/dbraw/zinc/32/50/89/193325089.db2.gz QCMUFFBXXROKTG-SJORKVTESA-N 2 2 309.885 2.497 10 0 DEAELP CCC(CC)([C@H]([NH2+]C)[C@H]1CCC[C@H](S(C)(=O)=O)C1)[NH+](C)C ZINC000094650809 193390821 /nfs/dbraw/zinc/39/08/21/193390821.db2.gz DINDZUUQTUKIFU-SOUVJXGZSA-N 2 2 318.527 2.298 10 0 DEAELP COc1ccc(Cn2c[nH+]c(CC[NH3+])c2)cc1Br ZINC000094529502 193376738 /nfs/dbraw/zinc/37/67/38/193376738.db2.gz QPOMRPPJWYGZHQ-UHFFFAOYSA-N 2 2 310.195 2.204 10 0 DEAELP CSc1ccccc1NC(=O)C[N@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040750041 183128774 /nfs/dbraw/zinc/12/87/74/183128774.db2.gz LROAZPHXCCPMDX-YHWZYXNKSA-N 2 2 305.447 2.301 10 0 DEAELP CSc1ccccc1NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040750041 183128776 /nfs/dbraw/zinc/12/87/76/183128776.db2.gz LROAZPHXCCPMDX-YHWZYXNKSA-N 2 2 305.447 2.301 10 0 DEAELP C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040749337 183129084 /nfs/dbraw/zinc/12/90/84/183129084.db2.gz JDRJIGYCCDXGIV-JZIBPQBNSA-N 2 2 308.447 2.105 10 0 DEAELP C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040749337 183129086 /nfs/dbraw/zinc/12/90/86/183129086.db2.gz JDRJIGYCCDXGIV-JZIBPQBNSA-N 2 2 308.447 2.105 10 0 DEAELP C[C@H]([NH3+])[C@@H](c1ccc(Br)cc1)[N@H+](CCO)C1CC1 ZINC000042955249 183322439 /nfs/dbraw/zinc/32/24/39/183322439.db2.gz XFXYQNWGWOOAII-HZMBPMFUSA-N 2 2 313.239 2.294 10 0 DEAELP C[C@H]([NH3+])[C@@H](c1ccc(Br)cc1)[N@@H+](CCO)C1CC1 ZINC000042955249 183322441 /nfs/dbraw/zinc/32/24/41/183322441.db2.gz XFXYQNWGWOOAII-HZMBPMFUSA-N 2 2 313.239 2.294 10 0 DEAELP CC[NH+](CC)[C@H]1CCN(c2[nH+]c(C)cc(C)c2C(N)=S)C1 ZINC000110278427 194319197 /nfs/dbraw/zinc/31/91/97/194319197.db2.gz MZMXMRFQRSNPSO-ZDUSSCGKSA-N 2 2 306.479 2.253 10 0 DEAELP CC[NH2+][C@H]1CCCc2nc(N3CCn4cc[nH+]c4C3)sc21 ZINC000062327757 184231247 /nfs/dbraw/zinc/23/12/47/184231247.db2.gz XYHUSIVOJVJNBB-NSHDSACASA-N 2 2 303.435 2.347 10 0 DEAELP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N(C)CCC[NH+](C)C ZINC000562306803 291975925 /nfs/dbraw/zinc/97/59/25/291975925.db2.gz SIJILYABJOOUPY-UHFFFAOYSA-N 2 2 324.375 2.033 10 0 DEAELP C[C@@H]1C[N@H+](Cc2cnc(NC(=O)C3(C)CC3)s2)CC[C@@H]1[NH3+] ZINC000725272977 542771021 /nfs/dbraw/zinc/77/10/21/542771021.db2.gz WQJBFXIJMTZXEG-PWSUYJOCSA-N 2 2 308.451 2.051 10 0 DEAELP C[C@@H]1C[N@@H+](Cc2cnc(NC(=O)C3(C)CC3)s2)CC[C@@H]1[NH3+] ZINC000725272977 542771024 /nfs/dbraw/zinc/77/10/24/542771024.db2.gz WQJBFXIJMTZXEG-PWSUYJOCSA-N 2 2 308.451 2.051 10 0 DEAELP C[N@H+]1C[C@@H]2C[NH+](CC(=O)Nc3cccc4ccccc43)C[C@@H]2C1 ZINC000193613804 145088201 /nfs/dbraw/zinc/08/82/01/145088201.db2.gz AZGHBSMYJBQDNT-IYBDPMFKSA-N 2 2 309.413 2.272 10 0 DEAELP C[N@@H+]1C[C@@H]2C[NH+](CC(=O)Nc3cccc4ccccc43)C[C@@H]2C1 ZINC000193613804 145088202 /nfs/dbraw/zinc/08/82/02/145088202.db2.gz AZGHBSMYJBQDNT-IYBDPMFKSA-N 2 2 309.413 2.272 10 0 DEAELP C[NH+]1C[C@@H]2C[N@@H+](CC(=O)Nc3cccc4ccccc43)C[C@@H]2C1 ZINC000193613804 145088203 /nfs/dbraw/zinc/08/82/03/145088203.db2.gz AZGHBSMYJBQDNT-IYBDPMFKSA-N 2 2 309.413 2.272 10 0 DEAELP C[NH+]1C[C@@H]2C[N@H+](CC(=O)Nc3cccc4ccccc43)C[C@@H]2C1 ZINC000193613804 145088204 /nfs/dbraw/zinc/08/82/04/145088204.db2.gz AZGHBSMYJBQDNT-IYBDPMFKSA-N 2 2 309.413 2.272 10 0 DEAELP C[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000247352151 145134606 /nfs/dbraw/zinc/13/46/06/145134606.db2.gz LKGNTYSBQUBZKA-HOTGVXAUSA-N 2 2 316.449 2.216 10 0 DEAELP C[C@H]1CCCCN1C(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000247352151 145134607 /nfs/dbraw/zinc/13/46/07/145134607.db2.gz LKGNTYSBQUBZKA-HOTGVXAUSA-N 2 2 316.449 2.216 10 0 DEAELP Cc1ccc(N2CCC([NH2+][C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)[nH+]c1 ZINC000247954908 145145635 /nfs/dbraw/zinc/14/56/35/145145635.db2.gz FKNGOKXCQXWAFS-RDJZCZTQSA-N 3 2 302.466 2.431 10 0 DEAELP Cc1ccc(N2CCC([NH2+][C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)[nH+]c1 ZINC000247954908 145145636 /nfs/dbraw/zinc/14/56/36/145145636.db2.gz FKNGOKXCQXWAFS-RDJZCZTQSA-N 3 2 302.466 2.431 10 0 DEAELP Cc1cccc(N2CCC([NH2+][C@@H]3CC[N@H+](C)[C@@H](C)C3)CC2)[nH+]1 ZINC000248126670 145148584 /nfs/dbraw/zinc/14/85/84/145148584.db2.gz NZFFQFCIHUSDLO-DOTOQJQBSA-N 3 2 302.466 2.431 10 0 DEAELP Cc1cccc(N2CCC([NH2+][C@@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)[nH+]1 ZINC000248126670 145148585 /nfs/dbraw/zinc/14/85/85/145148585.db2.gz NZFFQFCIHUSDLO-DOTOQJQBSA-N 3 2 302.466 2.431 10 0 DEAELP C[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)C1 ZINC000249875519 145191128 /nfs/dbraw/zinc/19/11/28/145191128.db2.gz LMTWNEASGQDDEO-CVEARBPZSA-N 2 2 316.449 2.074 10 0 DEAELP C[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)C1 ZINC000249875519 145191129 /nfs/dbraw/zinc/19/11/29/145191129.db2.gz LMTWNEASGQDDEO-CVEARBPZSA-N 2 2 316.449 2.074 10 0 DEAELP CSc1ccc(NC(=O)C[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000261603161 145209387 /nfs/dbraw/zinc/20/93/87/145209387.db2.gz AFRDWJMPMJIXGT-AWEZNQCLSA-N 2 2 307.463 2.406 10 0 DEAELP CSc1ccc(NC(=O)C[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000261603161 145209388 /nfs/dbraw/zinc/20/93/88/145209388.db2.gz AFRDWJMPMJIXGT-AWEZNQCLSA-N 2 2 307.463 2.406 10 0 DEAELP C[C@@H](C(=O)NCc1ccccc1Cl)[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261638755 145212508 /nfs/dbraw/zinc/21/25/08/145212508.db2.gz DIPSHJOKKNFVSN-SWLSCSKDSA-N 2 2 323.868 2.404 10 0 DEAELP C[C@@H](C(=O)NCc1ccccc1Cl)[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261638755 145212510 /nfs/dbraw/zinc/21/25/10/145212510.db2.gz DIPSHJOKKNFVSN-SWLSCSKDSA-N 2 2 323.868 2.404 10 0 DEAELP C[C@H](CNC(=O)[C@H](C)[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1)c1ccccc1 ZINC000261683249 145216449 /nfs/dbraw/zinc/21/64/49/145216449.db2.gz KECYRJIYZYISAD-VYDXJSESSA-N 2 2 317.477 2.354 10 0 DEAELP C[C@H](CNC(=O)[C@H](C)[N@H+]1CC[C@H]([NH3+])C(C)(C)C1)c1ccccc1 ZINC000261683249 145216452 /nfs/dbraw/zinc/21/64/52/145216452.db2.gz KECYRJIYZYISAD-VYDXJSESSA-N 2 2 317.477 2.354 10 0 DEAELP Cc1ccc2[nH]c(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3COCC[NH2+]3)nc2c1 ZINC000261861100 145235095 /nfs/dbraw/zinc/23/50/95/145235095.db2.gz CEALQCPKNSECCJ-VBQJREDUSA-N 2 2 314.433 2.118 10 0 DEAELP Cc1ccc2nc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3COCC[NH2+]3)[nH]c2c1 ZINC000261861100 145235097 /nfs/dbraw/zinc/23/50/97/145235097.db2.gz CEALQCPKNSECCJ-VBQJREDUSA-N 2 2 314.433 2.118 10 0 DEAELP CC[N@H+](CC(=O)Nc1c(F)cccc1F)C[C@@]1(C)CC[NH2+]C1 ZINC000261870690 145236040 /nfs/dbraw/zinc/23/60/40/145236040.db2.gz OTKUGSFZEYQDOI-INIZCTEOSA-N 2 2 311.376 2.225 10 0 DEAELP CC[N@@H+](CC(=O)Nc1c(F)cccc1F)C[C@@]1(C)CC[NH2+]C1 ZINC000261870690 145236042 /nfs/dbraw/zinc/23/60/42/145236042.db2.gz OTKUGSFZEYQDOI-INIZCTEOSA-N 2 2 311.376 2.225 10 0 DEAELP C[C@H](C(=O)Nc1ccc(Cl)cn1)[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261886300 145237933 /nfs/dbraw/zinc/23/79/33/145237933.db2.gz VDBROJKLYIUWMX-PWSUYJOCSA-N 2 2 310.829 2.121 10 0 DEAELP C[C@H](C(=O)Nc1ccc(Cl)cn1)[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261886300 145237935 /nfs/dbraw/zinc/23/79/35/145237935.db2.gz VDBROJKLYIUWMX-PWSUYJOCSA-N 2 2 310.829 2.121 10 0 DEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000073665443 401719974 /nfs/dbraw/zinc/71/99/74/401719974.db2.gz GAXRFQSEPZZTQL-HNNXBMFYSA-N 2 2 321.469 2.213 10 0 DEAELP COC(=O)[C@@H](C)C[N@@H+](CCn1cc[nH+]c1)Cc1ccccc1 ZINC000131417212 401849725 /nfs/dbraw/zinc/84/97/25/401849725.db2.gz GZJDDALKRCRRGJ-HNNXBMFYSA-N 2 2 301.390 2.194 10 0 DEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NCC2CCCCC2)[C@H](C)C1 ZINC000081096818 401893459 /nfs/dbraw/zinc/89/34/59/401893459.db2.gz CDDIHJYJEQKMLG-WBVHZDCISA-N 2 2 309.498 2.345 10 0 DEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NCC2CCCCC2)[C@H](C)C1 ZINC000081096818 401893462 /nfs/dbraw/zinc/89/34/62/401893462.db2.gz CDDIHJYJEQKMLG-WBVHZDCISA-N 2 2 309.498 2.345 10 0 DEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NCC2CCCCC2)[C@H](C)C1 ZINC000081096818 401893465 /nfs/dbraw/zinc/89/34/65/401893465.db2.gz CDDIHJYJEQKMLG-WBVHZDCISA-N 2 2 309.498 2.345 10 0 DEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NCC2CCCCC2)[C@H](C)C1 ZINC000081096818 401893467 /nfs/dbraw/zinc/89/34/67/401893467.db2.gz CDDIHJYJEQKMLG-WBVHZDCISA-N 2 2 309.498 2.345 10 0 DEAELP COc1ccc(OC)c([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)c1 ZINC000151255167 402026631 /nfs/dbraw/zinc/02/66/31/402026631.db2.gz FIWMOQDZZCEQQW-GJZGRUSLSA-N 2 2 322.449 2.201 10 0 DEAELP O[C@@H](C[NH2+][C@H]1CSCCc2ccccc21)C[NH+]1CCCCC1 ZINC000151324057 402029515 /nfs/dbraw/zinc/02/95/15/402029515.db2.gz UFSQYTIXDUSHPL-WMZOPIPTSA-N 2 2 320.502 2.453 10 0 DEAELP C[C@H]1C[C@@H]([NH+](C)CC(=O)N(C)Cc2ccccc2F)CC[N@@H+]1C ZINC000123311470 402120867 /nfs/dbraw/zinc/12/08/67/402120867.db2.gz MATFSKGNDDKTQQ-HOCLYGCPSA-N 2 2 321.440 2.199 10 0 DEAELP C[C@H]1C[C@@H]([NH+](C)CC(=O)N(C)Cc2ccccc2F)CC[N@H+]1C ZINC000123311470 402120870 /nfs/dbraw/zinc/12/08/70/402120870.db2.gz MATFSKGNDDKTQQ-HOCLYGCPSA-N 2 2 321.440 2.199 10 0 DEAELP C[C@H]1C[C@@H]([N@H+](C)CC(=O)N(C)Cc2ccccc2F)CC[NH+]1C ZINC000123311470 402120873 /nfs/dbraw/zinc/12/08/73/402120873.db2.gz MATFSKGNDDKTQQ-HOCLYGCPSA-N 2 2 321.440 2.199 10 0 DEAELP C[C@H]1C[C@@H]([N@@H+](C)CC(=O)N(C)Cc2ccccc2F)CC[NH+]1C ZINC000123311470 402120876 /nfs/dbraw/zinc/12/08/76/402120876.db2.gz MATFSKGNDDKTQQ-HOCLYGCPSA-N 2 2 321.440 2.199 10 0 DEAELP CC(C)[C@@H](C(=O)NCc1ccc[nH+]c1N(C)C)[NH+]1CCCCC1 ZINC000067292465 402156297 /nfs/dbraw/zinc/15/62/97/402156297.db2.gz CGJDCWVZLFRKIL-INIZCTEOSA-N 2 2 318.465 2.274 10 0 DEAELP C[N@H+](CC[C@H]1CCC[NH+]1C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000125160945 402216741 /nfs/dbraw/zinc/21/67/41/402216741.db2.gz MEAQRIBBLMIZCF-NVXWUHKLSA-N 2 2 301.434 2.208 10 0 DEAELP C[N@@H+](CC[C@H]1CCC[NH+]1C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000125160945 402216742 /nfs/dbraw/zinc/21/67/42/402216742.db2.gz MEAQRIBBLMIZCF-NVXWUHKLSA-N 2 2 301.434 2.208 10 0 DEAELP C[NH+](CC[C@H]1CCC[N@@H+]1C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000125160945 402216743 /nfs/dbraw/zinc/21/67/43/402216743.db2.gz MEAQRIBBLMIZCF-NVXWUHKLSA-N 2 2 301.434 2.208 10 0 DEAELP C[NH+](CC[C@H]1CCC[N@H+]1C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000125160945 402216744 /nfs/dbraw/zinc/21/67/44/402216744.db2.gz MEAQRIBBLMIZCF-NVXWUHKLSA-N 2 2 301.434 2.208 10 0 DEAELP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)c1ccc2[nH+]ccn2c1 ZINC000177221488 402382738 /nfs/dbraw/zinc/38/27/38/402382738.db2.gz ZDXGVBYWFQHBAY-HNNXBMFYSA-N 2 2 309.373 2.144 10 0 DEAELP [NH3+][C@@H](CC(=O)NC1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000237881632 402424615 /nfs/dbraw/zinc/42/46/15/402424615.db2.gz KKZYWVJSJVXAJE-KRWDZBQOSA-N 2 2 324.428 2.257 10 0 DEAELP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H]2CCN(c3ccc(C)cc3)C2=O)C1 ZINC000245462659 402463498 /nfs/dbraw/zinc/46/34/98/402463498.db2.gz XAXHSPNCIPVSMU-WMZOPIPTSA-N 2 2 315.461 2.374 10 0 DEAELP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H]2CCN(c3ccc(C)cc3)C2=O)C1 ZINC000245462659 402463501 /nfs/dbraw/zinc/46/35/01/402463501.db2.gz XAXHSPNCIPVSMU-WMZOPIPTSA-N 2 2 315.461 2.374 10 0 DEAELP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H]2CCN(c3ccc(C)cc3)C2=O)C1 ZINC000245462659 402463504 /nfs/dbraw/zinc/46/35/04/402463504.db2.gz XAXHSPNCIPVSMU-WMZOPIPTSA-N 2 2 315.461 2.374 10 0 DEAELP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H]2CCN(c3ccc(C)cc3)C2=O)C1 ZINC000245462659 402463507 /nfs/dbraw/zinc/46/35/07/402463507.db2.gz XAXHSPNCIPVSMU-WMZOPIPTSA-N 2 2 315.461 2.374 10 0 DEAELP CCOCC[N@@H+]1CCN(Cc2c[nH+]c3c(C)cccn23)C[C@H]1C ZINC000245720637 402482735 /nfs/dbraw/zinc/48/27/35/402482735.db2.gz HWVSWDWKHFUMQL-MRXNPFEDSA-N 2 2 316.449 2.185 10 0 DEAELP CCOCC[N@H+]1CCN(Cc2c[nH+]c3c(C)cccn23)C[C@H]1C ZINC000245720637 402482739 /nfs/dbraw/zinc/48/27/39/402482739.db2.gz HWVSWDWKHFUMQL-MRXNPFEDSA-N 2 2 316.449 2.185 10 0 DEAELP Cc1nnc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)n1C1CC1 ZINC000178317075 402484245 /nfs/dbraw/zinc/48/42/45/402484245.db2.gz KFKSHFOIXOSNIX-HNNXBMFYSA-N 2 2 300.410 2.091 10 0 DEAELP Cc1nnc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)n1C1CC1 ZINC000178317075 402484247 /nfs/dbraw/zinc/48/42/47/402484247.db2.gz KFKSHFOIXOSNIX-HNNXBMFYSA-N 2 2 300.410 2.091 10 0 DEAELP C[C@H](C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)C1CC1 ZINC000178519633 402506854 /nfs/dbraw/zinc/50/68/54/402506854.db2.gz NBYPQEXGLISSNO-HNNXBMFYSA-N 2 2 307.482 2.099 10 0 DEAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCS[C@@H](C)C3)c2cc1C ZINC000246086351 402508799 /nfs/dbraw/zinc/50/87/99/402508799.db2.gz FHLHDAMWQIXCJK-GJZGRUSLSA-N 2 2 319.474 2.451 10 0 DEAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCS[C@@H](C)C3)c2cc1C ZINC000246086351 402508803 /nfs/dbraw/zinc/50/88/03/402508803.db2.gz FHLHDAMWQIXCJK-GJZGRUSLSA-N 2 2 319.474 2.451 10 0 DEAELP CCC[NH+]1CCN(c2cc(N3CCC[C@H](C)C3)[nH+]cn2)CC1 ZINC000171683263 402609610 /nfs/dbraw/zinc/60/96/10/402609610.db2.gz ZQOQPYNJIPXPNN-HNNXBMFYSA-N 2 2 303.454 2.245 10 0 DEAELP O=C1O[C@H](C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)CC12CCC2 ZINC000192034369 402706922 /nfs/dbraw/zinc/70/69/22/402706922.db2.gz XMHGRHPHDHQXIV-CABCVRRESA-N 2 2 315.417 2.301 10 0 DEAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(OC)c(OC)c1 ZINC000173380354 402695084 /nfs/dbraw/zinc/69/50/84/402695084.db2.gz YHMIJXXQSIPDPN-GDBMZVCRSA-N 2 2 322.449 2.465 10 0 DEAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(OC)c(OC)c1 ZINC000173380354 402695087 /nfs/dbraw/zinc/69/50/87/402695087.db2.gz YHMIJXXQSIPDPN-GDBMZVCRSA-N 2 2 322.449 2.465 10 0 DEAELP CC[NH+](CC)[C@H]1CCN(C(=O)NCc2[nH+]ccn2CC(C)C)C1 ZINC000173458061 402698449 /nfs/dbraw/zinc/69/84/49/402698449.db2.gz UGUINCVTHCPSSK-HNNXBMFYSA-N 2 2 321.469 2.165 10 0 DEAELP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2nccc(N)n2)cc1 ZINC000183154319 402743521 /nfs/dbraw/zinc/74/35/21/402743521.db2.gz UBBJPFYNMTXTRQ-GFCCVEGCSA-N 2 2 308.389 2.404 10 0 DEAELP CO[C@@H](C)c1noc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)n1 ZINC000175096941 402778657 /nfs/dbraw/zinc/77/86/57/402778657.db2.gz ZCHRWKMFSNODEL-ZDUSSCGKSA-N 2 2 308.426 2.085 10 0 DEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000175477775 402810300 /nfs/dbraw/zinc/81/03/00/402810300.db2.gz KTJSRKMMRZWZNK-CABCVRRESA-N 2 2 321.469 2.163 10 0 DEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000175477775 402810303 /nfs/dbraw/zinc/81/03/03/402810303.db2.gz KTJSRKMMRZWZNK-CABCVRRESA-N 2 2 321.469 2.163 10 0 DEAELP C[N@@H+]1CCC[C@@H]1C[NH2+]C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000195195183 402835870 /nfs/dbraw/zinc/83/58/70/402835870.db2.gz PDGIWWZIJFHUMB-PBHICJAKSA-N 2 2 311.470 2.317 10 0 DEAELP C[N@H+]1CCC[C@@H]1C[NH2+]C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000195195183 402835873 /nfs/dbraw/zinc/83/58/73/402835873.db2.gz PDGIWWZIJFHUMB-PBHICJAKSA-N 2 2 311.470 2.317 10 0 DEAELP Cc1cn2cc(NC(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)ccc2[nH+]1 ZINC000265711613 402942195 /nfs/dbraw/zinc/94/21/95/402942195.db2.gz LTJWTLRBYAKTPW-CABCVRRESA-N 2 2 313.405 2.391 10 0 DEAELP Cc1cn2cc(NC(=O)N[C@@H]3CC[N@H+]4CCCC[C@@H]34)ccc2[nH+]1 ZINC000265711613 402942196 /nfs/dbraw/zinc/94/21/96/402942196.db2.gz LTJWTLRBYAKTPW-CABCVRRESA-N 2 2 313.405 2.391 10 0 DEAELP Cc1nn2c(C[NH2+][C@@H]3CCCC[NH2+]C3)c(C(C)C)nc2s1 ZINC000333115538 403669448 /nfs/dbraw/zinc/66/94/48/403669448.db2.gz HFIFJUIDSUBRCS-GFCCVEGCSA-N 2 2 307.467 2.454 10 0 DEAELP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000333838472 403878878 /nfs/dbraw/zinc/87/88/78/403878878.db2.gz NUALBAZMDVRBML-GJZGRUSLSA-N 2 2 319.453 2.282 10 0 DEAELP Cc1nc(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc(N)[nH+]1 ZINC000310481745 403966146 /nfs/dbraw/zinc/96/61/46/403966146.db2.gz DZKBTPRDVUZVOY-ARFHVFGLSA-N 2 2 324.432 2.085 10 0 DEAELP Cc1nc(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc(N)[nH+]1 ZINC000310481745 403966153 /nfs/dbraw/zinc/96/61/53/403966153.db2.gz DZKBTPRDVUZVOY-ARFHVFGLSA-N 2 2 324.432 2.085 10 0 DEAELP Cc1nc(N)nc(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)[nH+]1 ZINC000310481745 403966159 /nfs/dbraw/zinc/96/61/59/403966159.db2.gz DZKBTPRDVUZVOY-ARFHVFGLSA-N 2 2 324.432 2.085 10 0 DEAELP Cc1nc(N)nc(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)[nH+]1 ZINC000310481745 403966166 /nfs/dbraw/zinc/96/61/66/403966166.db2.gz DZKBTPRDVUZVOY-ARFHVFGLSA-N 2 2 324.432 2.085 10 0 DEAELP Cc1nc(N2CC[NH+](C[C@@H]3CCOc4ccccc43)CC2)cc[nH+]1 ZINC000373411509 404542065 /nfs/dbraw/zinc/54/20/65/404542065.db2.gz FROOOXPVLLHWRF-INIZCTEOSA-N 2 2 324.428 2.473 10 0 DEAELP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2ccc(-n3cncn3)cc2)C1 ZINC000365830331 404728337 /nfs/dbraw/zinc/72/83/37/404728337.db2.gz KINHFFPHSNCJSG-MRXNPFEDSA-N 2 2 322.416 2.380 10 0 DEAELP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2ccc(-n3cncn3)cc2)C1 ZINC000365830331 404728341 /nfs/dbraw/zinc/72/83/41/404728341.db2.gz KINHFFPHSNCJSG-MRXNPFEDSA-N 2 2 322.416 2.380 10 0 DEAELP CC[NH+]1CCC(CCNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000366185155 404768702 /nfs/dbraw/zinc/76/87/02/404768702.db2.gz BPMIKADIPBUXAQ-AWEZNQCLSA-N 2 2 304.438 2.068 10 0 DEAELP CC[NH+]1CCC(CCNC(=O)[C@H]2CCCc3[nH]c[nH+]c32)CC1 ZINC000366185155 404768706 /nfs/dbraw/zinc/76/87/06/404768706.db2.gz BPMIKADIPBUXAQ-AWEZNQCLSA-N 2 2 304.438 2.068 10 0 DEAELP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000379655276 405027519 /nfs/dbraw/zinc/02/75/19/405027519.db2.gz LFEJVBXZGBRSBE-OALUTQOASA-N 3 2 319.493 2.385 10 0 DEAELP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000379655276 405027522 /nfs/dbraw/zinc/02/75/22/405027522.db2.gz LFEJVBXZGBRSBE-OALUTQOASA-N 3 2 319.493 2.385 10 0 DEAELP c1nc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)n(-c2ccccc2)n1 ZINC000420378019 405337889 /nfs/dbraw/zinc/33/78/89/405337889.db2.gz AWZBFRCBHPTAAF-DOTOQJQBSA-N 2 2 311.433 2.231 10 0 DEAELP c1nc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)n(-c2ccccc2)n1 ZINC000420378019 405337891 /nfs/dbraw/zinc/33/78/91/405337891.db2.gz AWZBFRCBHPTAAF-DOTOQJQBSA-N 2 2 311.433 2.231 10 0 DEAELP c1cc(N2CC[NH+](CCC[NH2+]C[C@@H]3C[C@H]4C[C@H]4C3)CC2)cc[nH+]1 ZINC000638458840 405481361 /nfs/dbraw/zinc/48/13/61/405481361.db2.gz AKBNKBAELOSRPS-BCDXTJNWSA-N 3 2 314.477 2.229 10 0 DEAELP c1c(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)onc1C1CC1 ZINC000638670004 405607166 /nfs/dbraw/zinc/60/71/66/405607166.db2.gz YZQYYAKOQYNYGX-CYBMUJFWSA-N 2 2 305.422 2.143 10 0 DEAELP c1c2c(cc3c1OCCC[C@@H]3[NH2+]C[C@H]1C[NH2+]CCO1)CCCC2 ZINC000423530894 405845426 /nfs/dbraw/zinc/84/54/26/405845426.db2.gz XOYDROQNQXJOHJ-AEFFLSMTSA-N 2 2 316.445 2.357 10 0 DEAELP Cn1ncc(Br)c1C[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000487331635 406225423 /nfs/dbraw/zinc/22/54/23/406225423.db2.gz YGLLFRPMSFDNDN-QWRGUYRKSA-N 2 2 315.259 2.145 10 0 DEAELP Cc1[nH+]c2ccccc2n1CCC(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000548452626 406517432 /nfs/dbraw/zinc/51/74/32/406517432.db2.gz RQNBWNPREYUFAS-AWEZNQCLSA-N 2 2 314.433 2.193 10 0 DEAELP Cc1[nH+]c2ccccc2n1CCC(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000548452626 406517439 /nfs/dbraw/zinc/51/74/39/406517439.db2.gz RQNBWNPREYUFAS-AWEZNQCLSA-N 2 2 314.433 2.193 10 0 DEAELP c1c[nH+]c(C2CC[NH+](Cc3cnnn3Cc3ccccc3)CC2)[nH]1 ZINC000555683328 406851194 /nfs/dbraw/zinc/85/11/94/406851194.db2.gz ZUIKHOATHDIWPC-UHFFFAOYSA-N 2 2 322.416 2.429 10 0 DEAELP CCC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000129260262 196034001 /nfs/dbraw/zinc/03/40/01/196034001.db2.gz DDRHQRZANXYTNJ-INIZCTEOSA-N 2 2 316.449 2.041 10 0 DEAELP CCC[N@H+]1CCC[C@H]1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000129260262 196034004 /nfs/dbraw/zinc/03/40/04/196034004.db2.gz DDRHQRZANXYTNJ-INIZCTEOSA-N 2 2 316.449 2.041 10 0 DEAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](CCCCCO)C1 ZINC000195258127 225199862 /nfs/dbraw/zinc/19/98/62/225199862.db2.gz JNWTVPWQAOPXMS-OAHLLOKOSA-N 2 2 311.495 2.368 10 0 DEAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](CCCCCO)C1 ZINC000195258127 225199869 /nfs/dbraw/zinc/19/98/69/225199869.db2.gz JNWTVPWQAOPXMS-OAHLLOKOSA-N 2 2 311.495 2.368 10 0 DEAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](CCCCCO)C1 ZINC000195258127 225199872 /nfs/dbraw/zinc/19/98/72/225199872.db2.gz JNWTVPWQAOPXMS-OAHLLOKOSA-N 2 2 311.495 2.368 10 0 DEAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](CCCCCO)C1 ZINC000195258127 225199876 /nfs/dbraw/zinc/19/98/76/225199876.db2.gz JNWTVPWQAOPXMS-OAHLLOKOSA-N 2 2 311.495 2.368 10 0 DEAELP C[C@@H]([NH2+]C1CCS(=O)(=O)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000291104667 222140491 /nfs/dbraw/zinc/14/04/91/222140491.db2.gz JSKUWEMZIPPUAH-CYBMUJFWSA-N 2 2 319.430 2.100 10 0 DEAELP O[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390907336 424918416 /nfs/dbraw/zinc/91/84/16/424918416.db2.gz SNFOMGLEWKCHMY-GUDVDZBRSA-N 2 2 318.461 2.171 10 0 DEAELP O[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390907336 424918418 /nfs/dbraw/zinc/91/84/18/424918418.db2.gz SNFOMGLEWKCHMY-GUDVDZBRSA-N 2 2 318.461 2.171 10 0 DEAELP CN(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000302891726 424892779 /nfs/dbraw/zinc/89/27/79/424892779.db2.gz JXOTZXZCWPRKKX-QZTJIDSGSA-N 2 2 315.461 2.109 10 0 DEAELP CN(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000302891726 424892780 /nfs/dbraw/zinc/89/27/80/424892780.db2.gz JXOTZXZCWPRKKX-QZTJIDSGSA-N 2 2 315.461 2.109 10 0 DEAELP CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@@H](c2cc[nH+]c(N)c2)C1 ZINC000616619817 425097861 /nfs/dbraw/zinc/09/78/61/425097861.db2.gz KGPULXUDULEGHZ-CQSZACIVSA-N 2 2 320.437 2.368 10 0 DEAELP CC(C)(C)OC(=O)NCC[N@H+]1CCC[C@@H](c2cc[nH+]c(N)c2)C1 ZINC000616619817 425097863 /nfs/dbraw/zinc/09/78/63/425097863.db2.gz KGPULXUDULEGHZ-CQSZACIVSA-N 2 2 320.437 2.368 10 0 DEAELP C[N@@H+]1CCCC[C@@H]1CN1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000095977441 277045262 /nfs/dbraw/zinc/04/52/62/277045262.db2.gz BVDZKOUXYTUCDF-OAHLLOKOSA-N 2 2 313.449 2.169 10 0 DEAELP C[N@H+]1CCCC[C@@H]1CN1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000095977441 277045263 /nfs/dbraw/zinc/04/52/63/277045263.db2.gz BVDZKOUXYTUCDF-OAHLLOKOSA-N 2 2 313.449 2.169 10 0 DEAELP CCN(Cc1ccccc1)C(=O)C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000261546016 279237935 /nfs/dbraw/zinc/23/79/35/279237935.db2.gz KOAOGMWMIUFPBS-KRWDZBQOSA-N 2 2 303.450 2.109 10 0 DEAELP CCN(Cc1ccccc1)C(=O)C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000261546016 279237937 /nfs/dbraw/zinc/23/79/37/279237937.db2.gz KOAOGMWMIUFPBS-KRWDZBQOSA-N 2 2 303.450 2.109 10 0 DEAELP CC(C)CNC(=O)C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180675803 519734963 /nfs/dbraw/zinc/73/49/63/519734963.db2.gz KPFUBPWTHYRSGE-CQSZACIVSA-N 2 2 300.406 2.295 10 0 DEAELP CC(C)CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249800604 535385419 /nfs/dbraw/zinc/38/54/19/535385419.db2.gz AAUOTJHZEUEAMH-HOTGVXAUSA-N 2 2 318.465 2.366 10 0 DEAELP CC(C)CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249800604 535385420 /nfs/dbraw/zinc/38/54/20/535385420.db2.gz AAUOTJHZEUEAMH-HOTGVXAUSA-N 2 2 318.465 2.366 10 0 DEAELP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ncccc3Br)C[C@H]21 ZINC000386678442 685418937 /nfs/dbraw/zinc/41/89/37/685418937.db2.gz XWSQCCLGSBIGTI-DMDPSCGWSA-N 2 2 310.239 2.403 10 0 DEAELP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ncccc3Br)C[C@H]21 ZINC000386678442 685418939 /nfs/dbraw/zinc/41/89/39/685418939.db2.gz XWSQCCLGSBIGTI-DMDPSCGWSA-N 2 2 310.239 2.403 10 0 DEAELP CC(C)[C@@H](C(=O)OCC[NH+]1CCSCC1)[NH+]1CCCCC1 ZINC000120495885 684096745 /nfs/dbraw/zinc/09/67/45/684096745.db2.gz ICAVOEWPYJNTEF-HNNXBMFYSA-N 2 2 314.495 2.089 10 0 DEAELP Cn1cc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)c(Br)n1 ZINC000712459050 792188719 /nfs/dbraw/zinc/18/87/19/792188719.db2.gz BUGNAWAXNYYQPE-NSHDSACASA-N 2 2 315.259 2.004 10 0 DEAELP Cn1cc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c(Br)n1 ZINC000712459050 792188726 /nfs/dbraw/zinc/18/87/26/792188726.db2.gz BUGNAWAXNYYQPE-NSHDSACASA-N 2 2 315.259 2.004 10 0 DEAELP C=CC[NH+]1CCC([NH2+]Cc2ccccc2OCCOC)CC1 ZINC000083455654 796627057 /nfs/dbraw/zinc/62/70/57/796627057.db2.gz HJJBOMDIOKLCEQ-UHFFFAOYSA-N 2 2 304.434 2.452 10 0 DEAELP C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@@H+](C[C@H]1CCC[NH2+]C1)C2 ZINC000702087769 1086406786 /nfs/dbraw/zinc/40/67/86/1086406786.db2.gz ZYTGHXZYNIMSBY-ZCNNSNEGSA-N 3 2 313.489 2.440 10 0 DEAELP C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@H+](C[C@H]1CCC[NH2+]C1)C2 ZINC000702087769 1086406787 /nfs/dbraw/zinc/40/67/87/1086406787.db2.gz ZYTGHXZYNIMSBY-ZCNNSNEGSA-N 3 2 313.489 2.440 10 0 DEAELP C[C@]12C[NH+](C[C@H]3CCC[NH2+]C3)C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000702087769 1086406790 /nfs/dbraw/zinc/40/67/90/1086406790.db2.gz ZYTGHXZYNIMSBY-ZCNNSNEGSA-N 3 2 313.489 2.440 10 0 DEAELP C[C@]12C[NH+](C[C@H]3CCC[NH2+]C3)C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000702087769 1086406792 /nfs/dbraw/zinc/40/67/92/1086406792.db2.gz ZYTGHXZYNIMSBY-ZCNNSNEGSA-N 3 2 313.489 2.440 10 0 DEAELP CC(C)(C)OC(=O)N1CC(C[NH2+][C@H]2CC[N@@H+](C(C)(C)C)C2)C1 ZINC000710983044 1086692491 /nfs/dbraw/zinc/69/24/91/1086692491.db2.gz STUDODUATCSJDP-AWEZNQCLSA-N 2 2 311.470 2.316 10 0 DEAELP CC(C)(C)OC(=O)N1CC(C[NH2+][C@H]2CC[N@H+](C(C)(C)C)C2)C1 ZINC000710983044 1086692493 /nfs/dbraw/zinc/69/24/93/1086692493.db2.gz STUDODUATCSJDP-AWEZNQCLSA-N 2 2 311.470 2.316 10 0 DEAELP CCC[N@@H+]1CC[C@@H]([NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000711484884 1087134895 /nfs/dbraw/zinc/13/48/95/1087134895.db2.gz NUMDSFVXSQMHDH-KFWWJZLASA-N 2 2 311.470 2.364 10 0 DEAELP CCC[N@H+]1CC[C@@H]([NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000711484884 1087134898 /nfs/dbraw/zinc/13/48/98/1087134898.db2.gz NUMDSFVXSQMHDH-KFWWJZLASA-N 2 2 311.470 2.364 10 0 DEAELP Cc1nc(C[NH2+]CCc2c[nH+]cn2C)sc1Br ZINC000719312230 1088933508 /nfs/dbraw/zinc/93/35/08/1088933508.db2.gz YJQJOJCUENDJSJ-UHFFFAOYSA-N 2 2 315.240 2.280 10 0 DEAELP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1nc(-c2ccoc2)no1 ZINC000136310874 282085587 /nfs/dbraw/zinc/08/55/87/282085587.db2.gz JXNNXOGTESENHQ-UHFFFAOYSA-N 2 2 301.350 2.357 10 0 DEAELP Cc1[nH+]ccn1CCC[N@H+](C)Cc1nc(-c2ccoc2)no1 ZINC000136310874 282085599 /nfs/dbraw/zinc/08/55/99/282085599.db2.gz JXNNXOGTESENHQ-UHFFFAOYSA-N 2 2 301.350 2.357 10 0 DEAELP CCN(C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)C1CC1 ZINC000074767297 185016627 /nfs/dbraw/zinc/01/66/27/185016627.db2.gz ACMVEPGXRLPHDF-UHFFFAOYSA-N 2 2 322.497 2.131 10 0 DEAELP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCc1[nH+]ccn1CC(C)C ZINC000173999435 282192229 /nfs/dbraw/zinc/19/22/29/282192229.db2.gz HBIDPLSRLISSGW-HNNXBMFYSA-N 2 2 323.485 2.315 10 0 DEAELP CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2C[N@@H+]1CC(=O)Nc1ccc(Cl)cc1 ZINC000090332835 185291701 /nfs/dbraw/zinc/29/17/01/185291701.db2.gz RMAIFPBPYNUMBX-KCPJHIHWSA-N 2 2 307.825 2.208 10 0 DEAELP CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2C[N@H+]1CC(=O)Nc1ccc(Cl)cc1 ZINC000090332835 185291702 /nfs/dbraw/zinc/29/17/02/185291702.db2.gz RMAIFPBPYNUMBX-KCPJHIHWSA-N 2 2 307.825 2.208 10 0 DEAELP CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2C[N@@H+]1Cc1cn2cc(Cl)ccc2n1 ZINC000090332591 185291712 /nfs/dbraw/zinc/29/17/12/185291712.db2.gz PAISCCPHHWUXFD-BYCMXARLSA-N 2 2 304.825 2.418 10 0 DEAELP CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2C[N@H+]1Cc1cn2cc(Cl)ccc2n1 ZINC000090332591 185291713 /nfs/dbraw/zinc/29/17/13/185291713.db2.gz PAISCCPHHWUXFD-BYCMXARLSA-N 2 2 304.825 2.418 10 0 DEAELP Cn1cc[nH+]c1CN1Cc2c(cccc2C(F)(F)F)[C@@H]1C[NH3+] ZINC000071684181 191008797 /nfs/dbraw/zinc/00/87/97/191008797.db2.gz WSLVQNMESSRFHG-ZDUSSCGKSA-N 2 2 310.323 2.455 10 0 DEAELP C[C@H]1C[C@@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC[N@@H+]1C ZINC000172620621 198126932 /nfs/dbraw/zinc/12/69/32/198126932.db2.gz MJJDQNWHASYQOS-YOEHRIQHSA-N 2 2 312.417 2.427 10 0 DEAELP C[C@H]1C[C@@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC[N@H+]1C ZINC000172620621 198126934 /nfs/dbraw/zinc/12/69/34/198126934.db2.gz MJJDQNWHASYQOS-YOEHRIQHSA-N 2 2 312.417 2.427 10 0 DEAELP CC(C)[C@@H](C)NC(=O)C1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000182743171 356143802 /nfs/dbraw/zinc/14/38/02/356143802.db2.gz KTGVXXMDDHZEDC-OAHLLOKOSA-N 2 2 306.454 2.146 10 0 DEAELP CSC1(C[NH2+]C[C@H]2C[N@H+](C)CCN2Cc2ccccc2)CC1 ZINC000597237790 358865064 /nfs/dbraw/zinc/86/50/64/358865064.db2.gz IJUNXGNRSDOWCB-KRWDZBQOSA-N 2 2 319.518 2.288 10 0 DEAELP CSC1(C[NH2+]C[C@H]2C[N@@H+](C)CCN2Cc2ccccc2)CC1 ZINC000597237790 358865075 /nfs/dbraw/zinc/86/50/75/358865075.db2.gz IJUNXGNRSDOWCB-KRWDZBQOSA-N 2 2 319.518 2.288 10 0 DEAELP CC1CC[NH+](CCNC(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000606581277 361023355 /nfs/dbraw/zinc/02/33/55/361023355.db2.gz XMETTYGZFPZNTO-UHFFFAOYSA-N 2 2 301.394 2.188 10 0 DEAELP Cc1ncc(C[N@@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)o1 ZINC000628242576 366781432 /nfs/dbraw/zinc/78/14/32/366781432.db2.gz KKJWQOLYRHKJDH-GOSISDBHSA-N 2 2 315.417 2.052 10 0 DEAELP Cc1ncc(C[N@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)o1 ZINC000628242576 366781433 /nfs/dbraw/zinc/78/14/33/366781433.db2.gz KKJWQOLYRHKJDH-GOSISDBHSA-N 2 2 315.417 2.052 10 0 DEAELP Cc1ncc(C[NH+](C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)o1 ZINC000628242576 366781435 /nfs/dbraw/zinc/78/14/35/366781435.db2.gz KKJWQOLYRHKJDH-GOSISDBHSA-N 2 2 315.417 2.052 10 0 DEAELP Cc1ncc(C[NH+](C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000628242576 366781437 /nfs/dbraw/zinc/78/14/37/366781437.db2.gz KKJWQOLYRHKJDH-GOSISDBHSA-N 2 2 315.417 2.052 10 0 DEAELP c1cc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)n(CCc2ccccc2)n1 ZINC000621345281 364361474 /nfs/dbraw/zinc/36/14/74/364361474.db2.gz HWSNGPZLVCVVJI-QGZVFWFLSA-N 2 2 321.428 2.427 10 0 DEAELP CC(C)(C)NC(=O)C[C@@H](C[NH3+])[N@H+](Cc1ccsc1)C1CC1 ZINC000091321227 193040116 /nfs/dbraw/zinc/04/01/16/193040116.db2.gz ABVAKGAEBBMOIY-AWEZNQCLSA-N 2 2 309.479 2.345 10 0 DEAELP CC(C)(C)NC(=O)C[C@@H](C[NH3+])[N@@H+](Cc1ccsc1)C1CC1 ZINC000091321227 193040117 /nfs/dbraw/zinc/04/01/17/193040117.db2.gz ABVAKGAEBBMOIY-AWEZNQCLSA-N 2 2 309.479 2.345 10 0 DEAELP C[NH2+][C@@H](CCCS(C)(=O)=O)C1([NH+]2CCCCC2)CCCC1 ZINC000091642193 193082647 /nfs/dbraw/zinc/08/26/47/193082647.db2.gz SBPSAOJNFGYUJF-HNNXBMFYSA-N 2 2 316.511 2.198 10 0 DEAELP O=C(C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)NC1CCCCC1 ZINC000624483802 365439171 /nfs/dbraw/zinc/43/91/71/365439171.db2.gz IJTLAXGOMRYZNF-HNNXBMFYSA-N 2 2 316.449 2.264 10 0 DEAELP O=C(C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)NC1CCCCC1 ZINC000624483802 365439180 /nfs/dbraw/zinc/43/91/80/365439180.db2.gz IJTLAXGOMRYZNF-HNNXBMFYSA-N 2 2 316.449 2.264 10 0 DEAELP C[N@@H+]1CCO[C@H](COc2c(Cl)cc(Cl)cc2C[NH3+])C1 ZINC000092054305 193149242 /nfs/dbraw/zinc/14/92/42/193149242.db2.gz GYOCJCTZGRQMKR-NSHDSACASA-N 2 2 305.205 2.162 10 0 DEAELP C[N@H+]1CCO[C@H](COc2c(Cl)cc(Cl)cc2C[NH3+])C1 ZINC000092054305 193149244 /nfs/dbraw/zinc/14/92/44/193149244.db2.gz GYOCJCTZGRQMKR-NSHDSACASA-N 2 2 305.205 2.162 10 0 DEAELP CCC(=O)CCC[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000450782960 242214326 /nfs/dbraw/zinc/21/43/26/242214326.db2.gz ZTKXIMPQEMIIND-LJQANCHMSA-N 2 2 318.461 2.315 10 0 DEAELP CCC(=O)CCC[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000450782960 242214343 /nfs/dbraw/zinc/21/43/43/242214343.db2.gz ZTKXIMPQEMIIND-LJQANCHMSA-N 2 2 318.461 2.315 10 0 DEAELP CCC(=O)CCC[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000450782960 242214349 /nfs/dbraw/zinc/21/43/49/242214349.db2.gz ZTKXIMPQEMIIND-LJQANCHMSA-N 2 2 318.461 2.315 10 0 DEAELP CCC(=O)CCC[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000450782960 242214358 /nfs/dbraw/zinc/21/43/58/242214358.db2.gz ZTKXIMPQEMIIND-LJQANCHMSA-N 2 2 318.461 2.315 10 0 DEAELP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(OC)c3c(c2)OCCO3)C1 ZINC000093770176 193303109 /nfs/dbraw/zinc/30/31/09/193303109.db2.gz FIYOVDVMBYKDAG-CQSZACIVSA-N 2 2 320.433 2.240 10 0 DEAELP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(OC)c3c(c2)OCCO3)C1 ZINC000093770176 193303110 /nfs/dbraw/zinc/30/31/10/193303110.db2.gz FIYOVDVMBYKDAG-CQSZACIVSA-N 2 2 320.433 2.240 10 0 DEAELP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(OC)c3c(c2)OCCO3)C1 ZINC000093770176 193303112 /nfs/dbraw/zinc/30/31/12/193303112.db2.gz FIYOVDVMBYKDAG-CQSZACIVSA-N 2 2 320.433 2.240 10 0 DEAELP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(OC)c3c(c2)OCCO3)C1 ZINC000093770176 193303114 /nfs/dbraw/zinc/30/31/14/193303114.db2.gz FIYOVDVMBYKDAG-CQSZACIVSA-N 2 2 320.433 2.240 10 0 DEAELP CN(Cc1cccc(Cl)c1)C(=O)C[N@H+](C)CC(C)(C)C[NH3+] ZINC000093874080 193322570 /nfs/dbraw/zinc/32/25/70/193322570.db2.gz CGMYODYOZCAVSS-UHFFFAOYSA-N 2 2 311.857 2.215 10 0 DEAELP CN(Cc1cccc(Cl)c1)C(=O)C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000093874080 193322571 /nfs/dbraw/zinc/32/25/71/193322571.db2.gz CGMYODYOZCAVSS-UHFFFAOYSA-N 2 2 311.857 2.215 10 0 DEAELP CC[NH2+][C@@H](Cc1ccc(Cl)s1)[C@@H]1C[N@H+](C)CCN1C ZINC000093895615 193325093 /nfs/dbraw/zinc/32/50/93/193325093.db2.gz XGDQPJFLRBZFIR-STQMWFEESA-N 2 2 301.887 2.168 10 0 DEAELP CC[NH2+][C@@H](Cc1ccc(Cl)s1)[C@@H]1C[N@@H+](C)CCN1C ZINC000093895615 193325095 /nfs/dbraw/zinc/32/50/95/193325095.db2.gz XGDQPJFLRBZFIR-STQMWFEESA-N 2 2 301.887 2.168 10 0 DEAELP CCC[NH2+][C@H](Cc1csc(C)n1)[C@@H]1C[N@H+](CCC)CCO1 ZINC000093921238 193328683 /nfs/dbraw/zinc/32/86/83/193328683.db2.gz QWIMKUVXBSQAIT-CVEARBPZSA-N 2 2 311.495 2.473 10 0 DEAELP CCC[NH2+][C@H](Cc1csc(C)n1)[C@@H]1C[N@@H+](CCC)CCO1 ZINC000093921238 193328685 /nfs/dbraw/zinc/32/86/85/193328685.db2.gz QWIMKUVXBSQAIT-CVEARBPZSA-N 2 2 311.495 2.473 10 0 DEAELP CC[NH2+][C@H](Cc1ccncc1Cl)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC000093927578 193329290 /nfs/dbraw/zinc/32/92/90/193329290.db2.gz RFDFYICFPMLXFY-HZPDHXFCSA-N 2 2 311.857 2.365 10 0 DEAELP CC[NH2+][C@H](Cc1ccncc1Cl)[C@H]1C[N@H+](C(C)C)CCO1 ZINC000093927578 193329292 /nfs/dbraw/zinc/32/92/92/193329292.db2.gz RFDFYICFPMLXFY-HZPDHXFCSA-N 2 2 311.857 2.365 10 0 DEAELP CCC[NH2+]C[C@@H]1CCC[N@@H+]([C@@H]2CCC[C@H](S(C)(=O)=O)C2)C1 ZINC000094644259 193389463 /nfs/dbraw/zinc/38/94/63/193389463.db2.gz SQSODBPRORDJSC-XHSDSOJGSA-N 2 2 316.511 2.054 10 0 DEAELP CCC[NH2+]C[C@@H]1CCC[N@H+]([C@@H]2CCC[C@H](S(C)(=O)=O)C2)C1 ZINC000094644259 193389465 /nfs/dbraw/zinc/38/94/65/193389465.db2.gz SQSODBPRORDJSC-XHSDSOJGSA-N 2 2 316.511 2.054 10 0 DEAELP C[NH2+][C@H]1CC(C)(C)Cc2nc([C@@H]3C[NH+]4CCN3CC4)sc21 ZINC000094511058 193375964 /nfs/dbraw/zinc/37/59/64/193375964.db2.gz SLWNXGZVUQCWJA-AAEUAGOBSA-N 2 2 306.479 2.048 10 0 DEAELP CC(C)Cn1c2ccccc2[nH+]c1NCCN1CC[NH2+]CC1 ZINC000022863904 182338113 /nfs/dbraw/zinc/33/81/13/182338113.db2.gz SFEPDWGUJFZGET-UHFFFAOYSA-N 2 2 301.438 2.009 10 0 DEAELP C[NH+](C)CCCNc1[nH+]cnc2c1cnn2-c1cccc(F)c1 ZINC000041471714 183193348 /nfs/dbraw/zinc/19/33/48/183193348.db2.gz KFHFVICOIHMAHL-UHFFFAOYSA-N 2 2 314.368 2.318 10 0 DEAELP CCC[N@H+](CCO)[C@H](C[NH3+])c1ccc(Br)cc1 ZINC000042954330 183321636 /nfs/dbraw/zinc/32/16/36/183321636.db2.gz RHHAOTDOHMDEPD-CYBMUJFWSA-N 2 2 301.228 2.153 10 0 DEAELP CCC[N@@H+](CCO)[C@H](C[NH3+])c1ccc(Br)cc1 ZINC000042954330 183321639 /nfs/dbraw/zinc/32/16/39/183321639.db2.gz RHHAOTDOHMDEPD-CYBMUJFWSA-N 2 2 301.228 2.153 10 0 DEAELP C[C@@H]([NH3+])[C@@H](N1CC[NH+](Cc2ccccc2)CC1)C(F)(F)F ZINC000043376592 183357675 /nfs/dbraw/zinc/35/76/75/183357675.db2.gz FRLOJWOZFIMWLG-TZMCWYRMSA-N 2 2 301.356 2.082 10 0 DEAELP Cc1noc(C)c1C[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863056 194150556 /nfs/dbraw/zinc/15/05/56/194150556.db2.gz QNKAFDJBLNYTIW-UHFFFAOYSA-N 2 2 317.437 2.084 10 0 DEAELP Cc1noc(C)c1C[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863056 194150557 /nfs/dbraw/zinc/15/05/57/194150557.db2.gz QNKAFDJBLNYTIW-UHFFFAOYSA-N 2 2 317.437 2.084 10 0 DEAELP C[N@H+](C[C@H]1CCCOC1)[C@@H](C[NH3+])c1ccc(Br)o1 ZINC000111157818 194396703 /nfs/dbraw/zinc/39/67/03/194396703.db2.gz ISHFIAQHFMGXRJ-MNOVXSKESA-N 2 2 317.227 2.400 10 0 DEAELP C[N@@H+](C[C@H]1CCCOC1)[C@@H](C[NH3+])c1ccc(Br)o1 ZINC000111157818 194396704 /nfs/dbraw/zinc/39/67/04/194396704.db2.gz ISHFIAQHFMGXRJ-MNOVXSKESA-N 2 2 317.227 2.400 10 0 DEAELP C[N@H+](CC1CCOCC1)[C@H](C[NH3+])c1ccc(Br)o1 ZINC000111159507 194397163 /nfs/dbraw/zinc/39/71/63/194397163.db2.gz CSORCRYAXLSHPF-LLVKDONJSA-N 2 2 317.227 2.400 10 0 DEAELP C[N@@H+](CC1CCOCC1)[C@H](C[NH3+])c1ccc(Br)o1 ZINC000111159507 194397165 /nfs/dbraw/zinc/39/71/65/194397165.db2.gz CSORCRYAXLSHPF-LLVKDONJSA-N 2 2 317.227 2.400 10 0 DEAELP CC(=O)Nc1nc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cs1 ZINC000056494159 184013978 /nfs/dbraw/zinc/01/39/78/184013978.db2.gz MEKPFTXBXGEAEX-UHFFFAOYSA-N 2 2 322.478 2.409 10 0 DEAELP CC(C)COc1cccc(CN2CC[NH+](CCC[NH3+])CC2)c1 ZINC000066143135 184393270 /nfs/dbraw/zinc/39/32/70/184393270.db2.gz HUSHZIXHYMXJIG-UHFFFAOYSA-N 2 2 305.466 2.188 10 0 DEAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(NC(C)=O)cc1 ZINC000182054460 285038740 /nfs/dbraw/zinc/03/87/40/285038740.db2.gz OEDYXVKGBMTDMR-KSSFIOAISA-N 2 2 319.449 2.406 10 0 DEAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(NC(C)=O)cc1 ZINC000182054460 285038741 /nfs/dbraw/zinc/03/87/41/285038741.db2.gz OEDYXVKGBMTDMR-KSSFIOAISA-N 2 2 319.449 2.406 10 0 DEAELP c1nn(-c2cc[nH+]cc2)c2nc[nH+]c(NCC[C@H]3CCOC3)c12 ZINC000542196924 285212207 /nfs/dbraw/zinc/21/22/07/285212207.db2.gz NQKZKOSZTBXUKI-LBPRGKRZSA-N 2 2 310.361 2.049 10 0 DEAELP Cc1cc(C(=O)N2Cc3c[nH+]cn3[C@H](C[NH+](C)C)C2)sc1C ZINC000248112291 257109403 /nfs/dbraw/zinc/10/94/03/257109403.db2.gz KKSSBJALEVANHP-CQSZACIVSA-N 2 2 318.446 2.320 10 0 DEAELP Fc1cccc(C[NH+]2C[C@@H]3C[NH+](C[C@H]4CCOC4)C[C@H]3C2)c1 ZINC000503718047 257208882 /nfs/dbraw/zinc/20/88/82/257208882.db2.gz WDBOVLFGDAPXCF-BRWVUGGUSA-N 2 2 304.409 2.226 10 0 DEAELP Cc1cc[nH+]c(N(C)C[C@H]2C[C@H](F)C[N@@H+]2Cc2cnn(C)c2)c1 ZINC000357684822 133093169 /nfs/dbraw/zinc/09/31/69/133093169.db2.gz LXEZCBZXBRQFBC-JKSUJKDBSA-N 2 2 317.412 2.172 10 0 DEAELP Cc1cc[nH+]c(N(C)C[C@H]2C[C@H](F)C[N@H+]2Cc2cnn(C)c2)c1 ZINC000357684822 133093170 /nfs/dbraw/zinc/09/31/70/133093170.db2.gz LXEZCBZXBRQFBC-JKSUJKDBSA-N 2 2 317.412 2.172 10 0 DEAELP CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000358168232 133125610 /nfs/dbraw/zinc/12/56/10/133125610.db2.gz QBVGVTPSFLWAPD-CQSZACIVSA-N 2 2 321.469 2.419 10 0 DEAELP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000358168232 133125611 /nfs/dbraw/zinc/12/56/11/133125611.db2.gz QBVGVTPSFLWAPD-CQSZACIVSA-N 2 2 321.469 2.419 10 0 DEAELP C[C@@H]1CC[C@](CO)([N@H+](C)Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000187908357 145004738 /nfs/dbraw/zinc/00/47/38/145004738.db2.gz VSALUCWHQQWYTF-PBHICJAKSA-N 2 2 300.406 2.250 10 0 DEAELP C[C@@H]1CC[C@](CO)([N@@H+](C)Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000187908357 145004740 /nfs/dbraw/zinc/00/47/40/145004740.db2.gz VSALUCWHQQWYTF-PBHICJAKSA-N 2 2 300.406 2.250 10 0 DEAELP CC(C)[NH2+]CC[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000191536035 145060188 /nfs/dbraw/zinc/06/01/88/145060188.db2.gz WQNXNTPDUGZTSL-CALCHBBNSA-N 3 2 311.514 2.196 10 0 DEAELP O=C1O[C@@H](C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)CC12CCC2 ZINC000248908914 145173311 /nfs/dbraw/zinc/17/33/11/145173311.db2.gz XMHGRHPHDHQXIV-LSDHHAIUSA-N 2 2 315.417 2.301 10 0 DEAELP O=C1O[C@@H](C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)CC12CCC2 ZINC000248908909 145173883 /nfs/dbraw/zinc/17/38/83/145173883.db2.gz XMHGRHPHDHQXIV-HUUCEWRRSA-N 2 2 315.417 2.301 10 0 DEAELP CC1(C)CCC[NH2+][C@H]1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000261559407 145208072 /nfs/dbraw/zinc/20/80/72/145208072.db2.gz ZBGNQKQQVVWUBU-KRWDZBQOSA-N 2 2 315.461 2.109 10 0 DEAELP CCC[N@H+](CC(=O)Nc1ccccc1OC)C1CC[NH2+]CC1 ZINC000261603028 145209340 /nfs/dbraw/zinc/20/93/40/145209340.db2.gz CDSPBCSWKFLRMW-UHFFFAOYSA-N 2 2 305.422 2.098 10 0 DEAELP CCC[N@@H+](CC(=O)Nc1ccccc1OC)C1CC[NH2+]CC1 ZINC000261603028 145209341 /nfs/dbraw/zinc/20/93/41/145209341.db2.gz CDSPBCSWKFLRMW-UHFFFAOYSA-N 2 2 305.422 2.098 10 0 DEAELP COc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261815844 145229695 /nfs/dbraw/zinc/22/96/95/145229695.db2.gz PCBVHLAIQUBYDI-IUODEOHRSA-N 2 2 305.422 2.081 10 0 DEAELP COc1ccccc1NC(=O)[C@@H](C)[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261815844 145229697 /nfs/dbraw/zinc/22/96/97/145229697.db2.gz PCBVHLAIQUBYDI-IUODEOHRSA-N 2 2 305.422 2.081 10 0 DEAELP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1)c1ccccc1 ZINC000261872809 145236519 /nfs/dbraw/zinc/23/65/19/145236519.db2.gz TWLNUFRZNWJSLG-OFQRWUPVSA-N 2 2 303.450 2.312 10 0 DEAELP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1)c1ccccc1 ZINC000261872809 145236520 /nfs/dbraw/zinc/23/65/20/145236520.db2.gz TWLNUFRZNWJSLG-OFQRWUPVSA-N 2 2 303.450 2.312 10 0 DEAELP CC1(C)C[N@H+](Cc2ccc(Cl)cc2-n2cncn2)CC[C@@H]1[NH3+] ZINC000262032163 145255456 /nfs/dbraw/zinc/25/54/56/145255456.db2.gz XFXYIBWBSGADAI-HNNXBMFYSA-N 2 2 319.840 2.480 10 0 DEAELP CC1(C)C[N@@H+](Cc2ccc(Cl)cc2-n2cncn2)CC[C@@H]1[NH3+] ZINC000262032163 145255457 /nfs/dbraw/zinc/25/54/57/145255457.db2.gz XFXYIBWBSGADAI-HNNXBMFYSA-N 2 2 319.840 2.480 10 0 DEAELP Cc1ccc([C@H]([NH3+])C(=O)NCc2[nH+]ccn2CC(C)C)cc1 ZINC000262611510 145296587 /nfs/dbraw/zinc/29/65/87/145296587.db2.gz BYINWUMJWMNGAI-INIZCTEOSA-N 2 2 300.406 2.164 10 0 DEAELP C[C@H](C(=O)NCc1ccc[nH+]c1N(C)C)[C@H]([NH3+])c1ccccc1 ZINC000262661902 145298471 /nfs/dbraw/zinc/29/84/71/145298471.db2.gz GLVZWNJSKLBFAM-BBRMVZONSA-N 2 2 312.417 2.100 10 0 DEAELP COC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)C1CC1 ZINC000126341634 401689777 /nfs/dbraw/zinc/68/97/77/401689777.db2.gz AVKYGFSTMQHEKM-JLSDUUJJSA-N 2 2 303.450 2.307 10 0 DEAELP COC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)C1CC1 ZINC000126341634 401689778 /nfs/dbraw/zinc/68/97/78/401689778.db2.gz AVKYGFSTMQHEKM-JLSDUUJJSA-N 2 2 303.450 2.307 10 0 DEAELP CCOc1c(Cl)cc(Cl)cc1C[NH2+]CCC[NH2+]CCO ZINC000013733104 401803989 /nfs/dbraw/zinc/80/39/89/401803989.db2.gz DWKZFJCNQQJGGB-UHFFFAOYSA-N 2 2 321.248 2.454 10 0 DEAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NC2CCC(C)CC2)[C@H](C)C1 ZINC000081096596 401893597 /nfs/dbraw/zinc/89/35/97/401893597.db2.gz HYOJMIYMRBOKKW-MNAZLIDISA-N 2 2 309.498 2.343 10 0 DEAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NC2CCC(C)CC2)[C@H](C)C1 ZINC000081096596 401893599 /nfs/dbraw/zinc/89/35/99/401893599.db2.gz HYOJMIYMRBOKKW-MNAZLIDISA-N 2 2 309.498 2.343 10 0 DEAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NC2CCC(C)CC2)[C@H](C)C1 ZINC000081096596 401893601 /nfs/dbraw/zinc/89/36/01/401893601.db2.gz HYOJMIYMRBOKKW-MNAZLIDISA-N 2 2 309.498 2.343 10 0 DEAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NC2CCC(C)CC2)[C@H](C)C1 ZINC000081096596 401893602 /nfs/dbraw/zinc/89/36/02/401893602.db2.gz HYOJMIYMRBOKKW-MNAZLIDISA-N 2 2 309.498 2.343 10 0 DEAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NCC2CCCCC2)[C@H](C)C1 ZINC000081096820 401893794 /nfs/dbraw/zinc/89/37/94/401893794.db2.gz CDDIHJYJEQKMLG-NVXWUHKLSA-N 2 2 309.498 2.345 10 0 DEAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NCC2CCCCC2)[C@H](C)C1 ZINC000081096820 401893796 /nfs/dbraw/zinc/89/37/96/401893796.db2.gz CDDIHJYJEQKMLG-NVXWUHKLSA-N 2 2 309.498 2.345 10 0 DEAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NCC2CCCCC2)[C@H](C)C1 ZINC000081096820 401893798 /nfs/dbraw/zinc/89/37/98/401893798.db2.gz CDDIHJYJEQKMLG-NVXWUHKLSA-N 2 2 309.498 2.345 10 0 DEAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NCC2CCCCC2)[C@H](C)C1 ZINC000081096820 401893799 /nfs/dbraw/zinc/89/37/99/401893799.db2.gz CDDIHJYJEQKMLG-NVXWUHKLSA-N 2 2 309.498 2.345 10 0 DEAELP Cc1[nH+]c2ccccc2n1CC(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000044532990 401945044 /nfs/dbraw/zinc/94/50/44/401945044.db2.gz HXHORVUIDNWTKT-AWEZNQCLSA-N 2 2 314.433 2.335 10 0 DEAELP Cc1[nH+]c2ccccc2n1CC(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000044532990 401945046 /nfs/dbraw/zinc/94/50/46/401945046.db2.gz HXHORVUIDNWTKT-AWEZNQCLSA-N 2 2 314.433 2.335 10 0 DEAELP C[C@@H]([NH2+]C1CCN(C(N)=O)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000151666310 402049347 /nfs/dbraw/zinc/04/93/47/402049347.db2.gz LNETZLAMQRECDQ-CYBMUJFWSA-N 2 2 313.405 2.066 10 0 DEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cc(C(N)=O)cs2)C1 ZINC000122944710 402102736 /nfs/dbraw/zinc/10/27/36/402102736.db2.gz CZXAEIFPHNPUSO-ZDUSSCGKSA-N 2 2 318.446 2.443 10 0 DEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cc(C(N)=O)cs2)C1 ZINC000122944710 402102739 /nfs/dbraw/zinc/10/27/39/402102739.db2.gz CZXAEIFPHNPUSO-ZDUSSCGKSA-N 2 2 318.446 2.443 10 0 DEAELP COc1cc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)cc2c1OCCO2 ZINC000067500870 402160940 /nfs/dbraw/zinc/16/09/40/402160940.db2.gz YWVDKNKRAFIRSN-ZDUSSCGKSA-N 2 2 317.389 2.089 10 0 DEAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+]CC1=Cc2ccccc2OC1 ZINC000069171733 402215259 /nfs/dbraw/zinc/21/52/59/402215259.db2.gz PDFGDEHIGGSTFI-QGZVFWFLSA-N 2 2 302.418 2.163 10 0 DEAELP COCC[N@H+]1CCC[C@@H]1C[NH2+]CC1=Cc2ccccc2OC1 ZINC000069171733 402215263 /nfs/dbraw/zinc/21/52/63/402215263.db2.gz PDFGDEHIGGSTFI-QGZVFWFLSA-N 2 2 302.418 2.163 10 0 DEAELP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cc(-c3cnn(C)c3)no2)C1 ZINC000185013503 402316844 /nfs/dbraw/zinc/31/68/44/402316844.db2.gz GQGHEMWJXUKKEY-AWEZNQCLSA-N 2 2 317.437 2.239 10 0 DEAELP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cc(-c3cnn(C)c3)no2)C1 ZINC000185013503 402316848 /nfs/dbraw/zinc/31/68/48/402316848.db2.gz GQGHEMWJXUKKEY-AWEZNQCLSA-N 2 2 317.437 2.239 10 0 DEAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)c2ccccn2)nc[nH+]1 ZINC000177125827 402372240 /nfs/dbraw/zinc/37/22/40/402372240.db2.gz ZFUIQSGNJRGQSW-ZIAGYGMSSA-N 2 2 312.421 2.233 10 0 DEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ccc(-n2ccnc2)nc1 ZINC000177372572 402395692 /nfs/dbraw/zinc/39/56/92/402395692.db2.gz UGWXWNKJFFMOOB-QGZVFWFLSA-N 2 2 322.416 2.437 10 0 DEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ccc(-n2ccnc2)nc1 ZINC000177372572 402395694 /nfs/dbraw/zinc/39/56/94/402395694.db2.gz UGWXWNKJFFMOOB-QGZVFWFLSA-N 2 2 322.416 2.437 10 0 DEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177372572 402395695 /nfs/dbraw/zinc/39/56/95/402395695.db2.gz UGWXWNKJFFMOOB-QGZVFWFLSA-N 3 2 322.416 2.437 10 0 DEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177372572 402395697 /nfs/dbraw/zinc/39/56/97/402395697.db2.gz UGWXWNKJFFMOOB-QGZVFWFLSA-N 3 2 322.416 2.437 10 0 DEAELP [NH3+][C@H](CC(=O)NC1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000237847522 402423507 /nfs/dbraw/zinc/42/35/07/402423507.db2.gz KKZYWVJSJVXAJE-QGZVFWFLSA-N 2 2 324.428 2.257 10 0 DEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1F ZINC000178291287 402480496 /nfs/dbraw/zinc/48/04/96/402480496.db2.gz MSXKWQDBCBGBJV-AWEZNQCLSA-N 2 2 316.380 2.434 10 0 DEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)Nc1ccccc1F ZINC000178291287 402480499 /nfs/dbraw/zinc/48/04/99/402480499.db2.gz MSXKWQDBCBGBJV-AWEZNQCLSA-N 2 2 316.380 2.434 10 0 DEAELP CCc1nnc(C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)n1C ZINC000189890066 402565141 /nfs/dbraw/zinc/56/51/41/402565141.db2.gz KIRGCWLCDJKVGQ-ZDUSSCGKSA-N 2 2 310.405 2.414 10 0 DEAELP C[C@@H](C(=O)Nc1nccs1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000171387638 402583323 /nfs/dbraw/zinc/58/33/23/402583323.db2.gz MGTFUKOZRBDBBZ-ZDUSSCGKSA-N 2 2 322.478 2.278 10 0 DEAELP Cc1nc(C)n(C[C@@H]2CCC[N@H+](Cc3cccc4[nH+]ccn43)C2)n1 ZINC000180120562 402607780 /nfs/dbraw/zinc/60/77/80/402607780.db2.gz ACSSTYYHFKEZJD-MRXNPFEDSA-N 2 2 324.432 2.455 10 0 DEAELP Cc1nc(C)n(C[C@@H]2CCC[N@@H+](Cc3cccc4[nH+]ccn43)C2)n1 ZINC000180120562 402607782 /nfs/dbraw/zinc/60/77/82/402607782.db2.gz ACSSTYYHFKEZJD-MRXNPFEDSA-N 2 2 324.432 2.455 10 0 DEAELP CN(C)c1[nH+]cccc1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC000193927937 402778842 /nfs/dbraw/zinc/77/88/42/402778842.db2.gz DXTQJOHPQIXZAL-UHFFFAOYSA-N 2 2 312.417 2.139 10 0 DEAELP CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000175252451 402791903 /nfs/dbraw/zinc/79/19/03/402791903.db2.gz XLVVJOXSZNCLJO-HUUCEWRRSA-N 2 2 304.438 2.071 10 0 DEAELP CC(C)N(C)C(=O)[C@@H](C)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000175252451 402791905 /nfs/dbraw/zinc/79/19/05/402791905.db2.gz XLVVJOXSZNCLJO-HUUCEWRRSA-N 2 2 304.438 2.071 10 0 DEAELP CC(C)c1nnc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)n1C ZINC000195431419 402845330 /nfs/dbraw/zinc/84/53/30/402845330.db2.gz ACAHMUGCZUMDNV-UHFFFAOYSA-N 2 2 305.470 2.246 10 0 DEAELP [NH3+]C1CCC([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000390537812 405046384 /nfs/dbraw/zinc/04/63/84/405046384.db2.gz GOLMABIOUOTEAE-CTWPCTMYSA-N 3 2 317.477 2.137 10 0 DEAELP [NH3+]C1CCC([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000390537812 405046388 /nfs/dbraw/zinc/04/63/88/405046388.db2.gz GOLMABIOUOTEAE-CTWPCTMYSA-N 3 2 317.477 2.137 10 0 DEAELP C1=CC[C@H](CC[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)CC1 ZINC000527979435 405467425 /nfs/dbraw/zinc/46/74/25/405467425.db2.gz FSWYARYUPNCQCM-SFHVURJKSA-N 2 2 321.509 2.119 10 0 DEAELP C1=CC[C@H](CC[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)CC1 ZINC000527979435 405467429 /nfs/dbraw/zinc/46/74/29/405467429.db2.gz FSWYARYUPNCQCM-SFHVURJKSA-N 2 2 321.509 2.119 10 0 DEAELP CO[C@@]1(C[NH2+]C[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CCOC1 ZINC000638449389 405476469 /nfs/dbraw/zinc/47/64/69/405476469.db2.gz PBXDMFWYMBURNQ-RBUKOAKNSA-N 2 2 318.461 2.436 10 0 DEAELP CO[C@@]1(C[NH2+]C[C@@H]2CCCC[N@H+]2Cc2ccccc2)CCOC1 ZINC000638449389 405476477 /nfs/dbraw/zinc/47/64/77/405476477.db2.gz PBXDMFWYMBURNQ-RBUKOAKNSA-N 2 2 318.461 2.436 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@@H](C)[NH+]1CCCC1)C2 ZINC000530473587 405808857 /nfs/dbraw/zinc/80/88/57/405808857.db2.gz AXBHURISBZQFAC-ZIAGYGMSSA-N 2 2 318.465 2.239 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@@H](C)[NH+]1CCCC1)CC2 ZINC000530473587 405808863 /nfs/dbraw/zinc/80/88/63/405808863.db2.gz AXBHURISBZQFAC-ZIAGYGMSSA-N 2 2 318.465 2.239 10 0 DEAELP CC[N@@H+]1CCC[C@H](Nc2nc(NC)[nH+]cc2Br)C1 ZINC000130913804 196121931 /nfs/dbraw/zinc/12/19/31/196121931.db2.gz DFGBXIORJSYRMP-VIFPVBQESA-N 2 2 314.231 2.177 10 0 DEAELP CC[N@H+]1CCC[C@H](Nc2nc(NC)[nH+]cc2Br)C1 ZINC000130913804 196121933 /nfs/dbraw/zinc/12/19/33/196121933.db2.gz DFGBXIORJSYRMP-VIFPVBQESA-N 2 2 314.231 2.177 10 0 DEAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cc(OC)ccc1OC ZINC000163285667 523828734 /nfs/dbraw/zinc/82/87/34/523828734.db2.gz ASLBYFRMGWWBBW-LSDHHAIUSA-N 2 2 322.449 2.465 10 0 DEAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cc(OC)ccc1OC ZINC000163285667 523828741 /nfs/dbraw/zinc/82/87/41/523828741.db2.gz ASLBYFRMGWWBBW-LSDHHAIUSA-N 2 2 322.449 2.465 10 0 DEAELP C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2-n2cncn2)CC1 ZINC000262020347 536440002 /nfs/dbraw/zinc/44/00/02/536440002.db2.gz WCUMOWWWLSJEPP-UHFFFAOYSA-N 2 2 305.813 2.105 10 0 DEAELP CC1(C)C[N@H+](CC(=O)N[C@@H]2CCCc3ccccc32)CC[C@@H]1[NH3+] ZINC000261822584 535353143 /nfs/dbraw/zinc/35/31/43/535353143.db2.gz PKTWBUCMIMWALP-SJORKVTESA-N 2 2 315.461 2.239 10 0 DEAELP CC1(C)C[N@@H+](CC(=O)N[C@@H]2CCCc3ccccc32)CC[C@@H]1[NH3+] ZINC000261822584 535353145 /nfs/dbraw/zinc/35/31/45/535353145.db2.gz PKTWBUCMIMWALP-SJORKVTESA-N 2 2 315.461 2.239 10 0 DEAELP CC[NH+](CC)CCC[NH+]1CCC(Nc2nccc(OC)n2)CC1 ZINC000192861505 535509715 /nfs/dbraw/zinc/50/97/15/535509715.db2.gz IRXZGIZZQPUBRA-UHFFFAOYSA-N 2 2 321.469 2.093 10 0 DEAELP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000372392136 535601555 /nfs/dbraw/zinc/60/15/55/535601555.db2.gz ACEUEJVKIHUMDQ-KGLIPLIRSA-N 2 2 318.465 2.239 10 0 DEAELP CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000372392136 535601559 /nfs/dbraw/zinc/60/15/59/535601559.db2.gz ACEUEJVKIHUMDQ-KGLIPLIRSA-N 2 2 318.465 2.239 10 0 DEAELP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000372392136 535601563 /nfs/dbraw/zinc/60/15/63/535601563.db2.gz ACEUEJVKIHUMDQ-KGLIPLIRSA-N 2 2 318.465 2.239 10 0 DEAELP CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000372392136 535601568 /nfs/dbraw/zinc/60/15/68/535601568.db2.gz ACEUEJVKIHUMDQ-KGLIPLIRSA-N 2 2 318.465 2.239 10 0 DEAELP CCc1[nH+]c2ccccc2n1CC(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000262119144 536158702 /nfs/dbraw/zinc/15/87/02/536158702.db2.gz WDWDIFWVAVRWOO-OAHLLOKOSA-N 2 2 314.433 2.185 10 0 DEAELP C[C@]12C[NH+](Cc3ccccc3)C[C@H]1C[N@@H+](C[C@@]1(C)CC[NH2+]C1)C2 ZINC000702096123 1086403239 /nfs/dbraw/zinc/40/32/39/1086403239.db2.gz OCQJHIJYZJKNOS-SLFFLAALSA-N 3 2 313.489 2.440 10 0 DEAELP C[C@]12C[NH+](Cc3ccccc3)C[C@H]1C[N@H+](C[C@@]1(C)CC[NH2+]C1)C2 ZINC000702096123 1086403247 /nfs/dbraw/zinc/40/32/47/1086403247.db2.gz OCQJHIJYZJKNOS-SLFFLAALSA-N 3 2 313.489 2.440 10 0 DEAELP C[C@@]12C[NH+](C[C@@]3(C)CC[NH2+]C3)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000702096123 1086403254 /nfs/dbraw/zinc/40/32/54/1086403254.db2.gz OCQJHIJYZJKNOS-SLFFLAALSA-N 3 2 313.489 2.440 10 0 DEAELP C[C@@]12C[NH+](C[C@@]3(C)CC[NH2+]C3)C[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000702096123 1086403259 /nfs/dbraw/zinc/40/32/59/1086403259.db2.gz OCQJHIJYZJKNOS-SLFFLAALSA-N 3 2 313.489 2.440 10 0 DEAELP CC1CC[NH+](CC[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000710973828 1086692109 /nfs/dbraw/zinc/69/21/09/1086692109.db2.gz SGESADTZFYLXFB-UHFFFAOYSA-N 2 2 311.470 2.175 10 0 DEAELP Cc1[nH+]c2ccccn2c1CCC(=O)N(C)C1CC[NH+](C)CC1 ZINC000096772824 185386947 /nfs/dbraw/zinc/38/69/47/185386947.db2.gz KJQOPGJNCABCEG-UHFFFAOYSA-N 2 2 314.433 2.128 10 0 DEAELP Cc1[nH+]ccn1CC[NH+]1CCN(Cc2cc(F)ccc2F)CC1 ZINC000077121752 185110556 /nfs/dbraw/zinc/11/05/56/185110556.db2.gz GESWIGSKSWBDNK-UHFFFAOYSA-N 2 2 320.387 2.288 10 0 DEAELP CCC[NH2+][C@@](CO)(C[N@@H+]1CCC[C@H](C(F)(F)F)C1)C1CC1 ZINC000088439655 185250706 /nfs/dbraw/zinc/25/07/06/185250706.db2.gz KFWUETAQONPTRN-UONOGXRCSA-N 2 2 308.388 2.401 10 0 DEAELP CCC[NH2+][C@@](CO)(C[N@H+]1CCC[C@H](C(F)(F)F)C1)C1CC1 ZINC000088439655 185250707 /nfs/dbraw/zinc/25/07/07/185250707.db2.gz KFWUETAQONPTRN-UONOGXRCSA-N 2 2 308.388 2.401 10 0 DEAELP COC(C[C@@](C)(C[NH3+])[N@H+](C)Cc1ccc(Cl)cc1)OC ZINC000090265798 185288389 /nfs/dbraw/zinc/28/83/89/185288389.db2.gz SWOSWYNRNGUTCH-HNNXBMFYSA-N 2 2 300.830 2.498 10 0 DEAELP COC(C[C@@](C)(C[NH3+])[N@@H+](C)Cc1ccc(Cl)cc1)OC ZINC000090265798 185288390 /nfs/dbraw/zinc/28/83/90/185288390.db2.gz SWOSWYNRNGUTCH-HNNXBMFYSA-N 2 2 300.830 2.498 10 0 DEAELP Cc1cc(C)n2c(C[NH+]3CCC(n4cc[nH+]c4)CC3)cnc2n1 ZINC000092648658 185331442 /nfs/dbraw/zinc/33/14/42/185331442.db2.gz OEXBAQHFLCQJBA-UHFFFAOYSA-N 2 2 310.405 2.380 10 0 DEAELP c1ccc(C[NH2+]C2CC[NH+](CCOC3CCOCC3)CC2)cc1 ZINC000625453127 365792262 /nfs/dbraw/zinc/79/22/62/365792262.db2.gz DTANLAJCSANVNV-UHFFFAOYSA-N 2 2 318.461 2.436 10 0 DEAELP Cn1cc([C@H]2[C@H](C[N@H+](C)Cc3ccncc3)CCC[NH+]2C)cn1 ZINC000328624274 530011072 /nfs/dbraw/zinc/01/10/72/530011072.db2.gz CJPBXVSDPUQSHW-FUHWJXTLSA-N 2 2 313.449 2.330 10 0 DEAELP Cn1cc([C@H]2[C@H](C[N@@H+](C)Cc3ccncc3)CCC[NH+]2C)cn1 ZINC000328624274 530011073 /nfs/dbraw/zinc/01/10/73/530011073.db2.gz CJPBXVSDPUQSHW-FUHWJXTLSA-N 2 2 313.449 2.330 10 0 DEAELP Cn1cc([C@H]2[C@H](C[NH+](C)Cc3ccncc3)CCC[N@@H+]2C)cn1 ZINC000328624274 530011074 /nfs/dbraw/zinc/01/10/74/530011074.db2.gz CJPBXVSDPUQSHW-FUHWJXTLSA-N 2 2 313.449 2.330 10 0 DEAELP Cn1cc([C@H]2[C@H](C[NH+](C)Cc3ccncc3)CCC[N@H+]2C)cn1 ZINC000328624274 530011075 /nfs/dbraw/zinc/01/10/75/530011075.db2.gz CJPBXVSDPUQSHW-FUHWJXTLSA-N 2 2 313.449 2.330 10 0 DEAELP CC(C)(C)c1ccc2c(c1)[C@@H](C[NH3+])N(CC[NH+]1CCOCC1)C2 ZINC000071683789 191007206 /nfs/dbraw/zinc/00/72/06/191007206.db2.gz ZJQJASSLAOUWFV-GOSISDBHSA-N 2 2 317.477 2.132 10 0 DEAELP C[N@H+](Cc1cc2n(n1)CC[NH2+]C2)Cc1ccnc2ccccc12 ZINC000072150926 191056643 /nfs/dbraw/zinc/05/66/43/191056643.db2.gz MWHLSJLYOMPVRU-UHFFFAOYSA-N 2 2 307.401 2.167 10 0 DEAELP C[N@@H+](Cc1cc2n(n1)CC[NH2+]C2)Cc1ccnc2ccccc12 ZINC000072150926 191056646 /nfs/dbraw/zinc/05/66/46/191056646.db2.gz MWHLSJLYOMPVRU-UHFFFAOYSA-N 2 2 307.401 2.167 10 0 DEAELP CCOCC[N@@H+]1CCN(c2cc(CC)[nH+]c(C)n2)C[C@@H]1CC ZINC000248438353 539773797 /nfs/dbraw/zinc/77/37/97/539773797.db2.gz SXDZOGQOONLEJW-INIZCTEOSA-N 2 2 306.454 2.285 10 0 DEAELP CCOCC[N@H+]1CCN(c2cc(CC)[nH+]c(C)n2)C[C@@H]1CC ZINC000248438353 539773801 /nfs/dbraw/zinc/77/38/01/539773801.db2.gz SXDZOGQOONLEJW-INIZCTEOSA-N 2 2 306.454 2.285 10 0 DEAELP COc1ccc(C[C@@](C)(C[NH3+])[NH+]2CCSCC2)cc1OC ZINC000080182872 192010182 /nfs/dbraw/zinc/01/01/82/192010182.db2.gz XRYXVDMIJQDDMK-INIZCTEOSA-N 2 2 310.463 2.013 10 0 DEAELP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000400330755 283155530 /nfs/dbraw/zinc/15/55/30/283155530.db2.gz BTLJFJMHRZJHSC-SOUVJXGZSA-N 2 2 311.470 2.458 10 0 DEAELP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000400330755 283155532 /nfs/dbraw/zinc/15/55/32/283155532.db2.gz BTLJFJMHRZJHSC-SOUVJXGZSA-N 2 2 311.470 2.458 10 0 DEAELP CC(C)OC[C@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000380963007 356670073 /nfs/dbraw/zinc/67/00/73/356670073.db2.gz XISQDLHXUVJMGA-KBAYOESNSA-N 2 2 306.450 2.025 10 0 DEAELP CC(C)OC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000380963007 356670079 /nfs/dbraw/zinc/67/00/79/356670079.db2.gz XISQDLHXUVJMGA-KBAYOESNSA-N 2 2 306.450 2.025 10 0 DEAELP c1[nH]c2c([nH+]1)CC[C@H]([NH2+][C@H]1C[C@@]3(CC[NH2+]C3)Oc3ccccc31)C2 ZINC000579825275 357036564 /nfs/dbraw/zinc/03/65/64/357036564.db2.gz UGWJFGXFWRMWFW-SOVGHPHASA-N 3 2 324.428 2.113 10 0 DEAELP c1[nH]c2c([nH+]1)C[C@@H]([NH2+][C@H]1C[C@@]3(CC[NH2+]C3)Oc3ccccc31)CC2 ZINC000579825275 357036567 /nfs/dbraw/zinc/03/65/67/357036567.db2.gz UGWJFGXFWRMWFW-SOVGHPHASA-N 3 2 324.428 2.113 10 0 DEAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2nccs2)nc[nH+]1 ZINC000180570527 199177760 /nfs/dbraw/zinc/17/77/60/199177760.db2.gz MNXQSOBHOCVILK-NWDGAFQWSA-N 2 2 318.450 2.294 10 0 DEAELP CC[NH+]1CCC(CCNC(=O)NCCCCn2cc[nH+]c2)CC1 ZINC000608646997 361244782 /nfs/dbraw/zinc/24/47/82/361244782.db2.gz FWBSPCNAIWYERY-UHFFFAOYSA-N 2 2 321.469 2.085 10 0 DEAELP CC[N@H+](Cc1cccs1)[C@H](C[NH3+])CC(=O)N1CCCCC1 ZINC000091325266 193039856 /nfs/dbraw/zinc/03/98/56/193039856.db2.gz NFFQCXRFQOGRHP-AWEZNQCLSA-N 2 2 309.479 2.300 10 0 DEAELP CC[N@@H+](Cc1cccs1)[C@H](C[NH3+])CC(=O)N1CCCCC1 ZINC000091325266 193039859 /nfs/dbraw/zinc/03/98/59/193039859.db2.gz NFFQCXRFQOGRHP-AWEZNQCLSA-N 2 2 309.479 2.300 10 0 DEAELP CCC[NH2+][C@H](CCCS(=O)(=O)CC)[C@@](C)(CC)[NH+](C)C ZINC000091571697 193074388 /nfs/dbraw/zinc/07/43/88/193074388.db2.gz VXKZPOJSVKBPMJ-HUUCEWRRSA-N 2 2 306.516 2.300 10 0 DEAELP Cc1ncsc1C[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000093148088 193208417 /nfs/dbraw/zinc/20/84/17/193208417.db2.gz LSBZYKMKXPPLDP-HNNXBMFYSA-N 2 2 308.495 2.053 10 0 DEAELP Cc1ncsc1C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000093148088 193208419 /nfs/dbraw/zinc/20/84/19/193208419.db2.gz LSBZYKMKXPPLDP-HNNXBMFYSA-N 2 2 308.495 2.053 10 0 DEAELP C[NH2+][C@H](Cc1c(Cl)cccc1Cl)[C@@H]1C[NH+]2CCN1CC2 ZINC000094509038 193375601 /nfs/dbraw/zinc/37/56/01/193375601.db2.gz XFTYKRDXUVTDOK-CABCVRRESA-N 2 2 314.260 2.124 10 0 DEAELP CCC[NH2+][C@H](Cc1ccccc1Cl)[C@@H]1C[NH+]2CCN1CC2 ZINC000094510757 193376032 /nfs/dbraw/zinc/37/60/32/193376032.db2.gz CIGLTSIMPSLQMV-SJORKVTESA-N 2 2 307.869 2.251 10 0 DEAELP CC[N@H+](CCOC)[C@H](C[NH3+])c1cccc(Br)c1 ZINC000042492562 183276266 /nfs/dbraw/zinc/27/62/66/183276266.db2.gz LIVMIDLAFGXJAI-CYBMUJFWSA-N 2 2 301.228 2.417 10 0 DEAELP CC[N@@H+](CCOC)[C@H](C[NH3+])c1cccc(Br)c1 ZINC000042492562 183276267 /nfs/dbraw/zinc/27/62/67/183276267.db2.gz LIVMIDLAFGXJAI-CYBMUJFWSA-N 2 2 301.228 2.417 10 0 DEAELP CC[N@H+](CCO)[C@H](c1ccc(Br)cc1)[C@@H](C)[NH3+] ZINC000042953987 183322046 /nfs/dbraw/zinc/32/20/46/183322046.db2.gz YBONPXBNQAEZCV-MFKMUULPSA-N 2 2 301.228 2.152 10 0 DEAELP CC[N@@H+](CCO)[C@H](c1ccc(Br)cc1)[C@@H](C)[NH3+] ZINC000042953987 183322047 /nfs/dbraw/zinc/32/20/47/183322047.db2.gz YBONPXBNQAEZCV-MFKMUULPSA-N 2 2 301.228 2.152 10 0 DEAELP [NH3+][C@H](CC[NH+]1CCN(CC(F)(F)F)CC1)c1ccccc1 ZINC000061947704 184198103 /nfs/dbraw/zinc/19/81/03/184198103.db2.gz MINSXJWZEJHNPZ-CQSZACIVSA-N 2 2 301.356 2.256 10 0 DEAELP CC1=CC[N@H+](CC[NH2+]C2CCN(C(=O)c3ccoc3)CC2)CC1 ZINC000358145778 133123827 /nfs/dbraw/zinc/12/38/27/133123827.db2.gz WMPFQQJXCDNCFR-UHFFFAOYSA-N 2 2 317.433 2.126 10 0 DEAELP CC1=CC[N@@H+](CC[NH2+]C2CCN(C(=O)c3ccoc3)CC2)CC1 ZINC000358145778 133123828 /nfs/dbraw/zinc/12/38/28/133123828.db2.gz WMPFQQJXCDNCFR-UHFFFAOYSA-N 2 2 317.433 2.126 10 0 DEAELP CC(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2C)c2ccccc2C1 ZINC000376537927 133299547 /nfs/dbraw/zinc/29/95/47/133299547.db2.gz GHJDEKCJTFDYCV-FUHWJXTLSA-N 2 2 301.434 2.164 10 0 DEAELP CC(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)c2ccccc2C1 ZINC000376537927 133299548 /nfs/dbraw/zinc/29/95/48/133299548.db2.gz GHJDEKCJTFDYCV-FUHWJXTLSA-N 2 2 301.434 2.164 10 0 DEAELP C(c1nnc2n1CCCCC2)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000372565403 133358997 /nfs/dbraw/zinc/35/89/97/133358997.db2.gz RLHJOQLVFSGRAD-UHFFFAOYSA-N 2 2 317.481 2.312 10 0 DEAELP c1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c2c(c1)OCCCO2 ZINC000563136174 292033465 /nfs/dbraw/zinc/03/34/65/292033465.db2.gz DZHZFEKICDGPES-GOSISDBHSA-N 2 2 302.418 2.423 10 0 DEAELP c1cc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c2c(c1)OCCCO2 ZINC000563136174 292033466 /nfs/dbraw/zinc/03/34/66/292033466.db2.gz DZHZFEKICDGPES-GOSISDBHSA-N 2 2 302.418 2.423 10 0 DEAELP Cc1cc(C)cc(NC(=O)[C@@H](C)[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1 ZINC000193602257 145087663 /nfs/dbraw/zinc/08/76/63/145087663.db2.gz RXKOBICMAZOFQT-OAGGEKHMSA-N 2 2 301.434 2.124 10 0 DEAELP Cc1cc(C)cc(NC(=O)[C@@H](C)[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1 ZINC000193602257 145087664 /nfs/dbraw/zinc/08/76/64/145087664.db2.gz RXKOBICMAZOFQT-OAGGEKHMSA-N 2 2 301.434 2.124 10 0 DEAELP Cc1cc(C)cc(NC(=O)[C@@H](C)[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c1 ZINC000193602257 145087665 /nfs/dbraw/zinc/08/76/65/145087665.db2.gz RXKOBICMAZOFQT-OAGGEKHMSA-N 2 2 301.434 2.124 10 0 DEAELP Cc1cc(C)cc(NC(=O)[C@@H](C)[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c1 ZINC000193602257 145087666 /nfs/dbraw/zinc/08/76/66/145087666.db2.gz RXKOBICMAZOFQT-OAGGEKHMSA-N 2 2 301.434 2.124 10 0 DEAELP C[C@@H]1CC[N@H+](Cc2cn(C(C)(C)C)nn2)C[C@H]1n1cc[nH+]c1 ZINC000248803003 145167926 /nfs/dbraw/zinc/16/79/26/145167926.db2.gz AOTOLWCZGNNNPD-UKRRQHHQSA-N 2 2 302.426 2.313 10 0 DEAELP C[C@@H]1CC[N@@H+](Cc2cn(C(C)(C)C)nn2)C[C@H]1n1cc[nH+]c1 ZINC000248803003 145167928 /nfs/dbraw/zinc/16/79/28/145167928.db2.gz AOTOLWCZGNNNPD-UKRRQHHQSA-N 2 2 302.426 2.313 10 0 DEAELP COc1ccc(C[N@H+](Cc2noc(C[NH3+])n2)[C@@H](C)C2CC2)cc1 ZINC000261619918 145210762 /nfs/dbraw/zinc/21/07/62/145210762.db2.gz CUTPFCUDZYNFMT-LBPRGKRZSA-N 2 2 316.405 2.338 10 0 DEAELP COc1ccc(C[N@@H+](Cc2noc(C[NH3+])n2)[C@@H](C)C2CC2)cc1 ZINC000261619918 145210764 /nfs/dbraw/zinc/21/07/64/145210764.db2.gz CUTPFCUDZYNFMT-LBPRGKRZSA-N 2 2 316.405 2.338 10 0 DEAELP C[C@H](CNC(=O)[C@H](C)[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1)c1ccccc1 ZINC000261683247 145216376 /nfs/dbraw/zinc/21/63/76/145216376.db2.gz KECYRJIYZYISAD-HLLBOEOZSA-N 2 2 317.477 2.354 10 0 DEAELP C[C@H](CNC(=O)[C@H](C)[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1)c1ccccc1 ZINC000261683247 145216377 /nfs/dbraw/zinc/21/63/77/145216377.db2.gz KECYRJIYZYISAD-HLLBOEOZSA-N 2 2 317.477 2.354 10 0 DEAELP CC1(C)C[N@@H+]([C@@H](C(=O)NC2CC2)c2ccccc2)CC[C@H]1[NH3+] ZINC000261802515 145227936 /nfs/dbraw/zinc/22/79/36/145227936.db2.gz VYQLTCNXLPXHHG-HZPDHXFCSA-N 2 2 301.434 2.066 10 0 DEAELP CC1(C)C[N@H+]([C@@H](C(=O)NC2CC2)c2ccccc2)CC[C@H]1[NH3+] ZINC000261802515 145227938 /nfs/dbraw/zinc/22/79/38/145227938.db2.gz VYQLTCNXLPXHHG-HZPDHXFCSA-N 2 2 301.434 2.066 10 0 DEAELP CC1(C)C[N@H+](CC(=O)NCCc2ccc(Cl)cc2)CC[C@H]1[NH3+] ZINC000261910023 145240074 /nfs/dbraw/zinc/24/00/74/145240074.db2.gz XLSOMRGXMXOQGC-OAHLLOKOSA-N 2 2 323.868 2.058 10 0 DEAELP CC1(C)C[N@@H+](CC(=O)NCCc2ccc(Cl)cc2)CC[C@H]1[NH3+] ZINC000261910023 145240075 /nfs/dbraw/zinc/24/00/75/145240075.db2.gz XLSOMRGXMXOQGC-OAHLLOKOSA-N 2 2 323.868 2.058 10 0 DEAELP c1nc(-c2ccccn2)sc1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261999421 145252371 /nfs/dbraw/zinc/25/23/71/145252371.db2.gz LENKTCGAYFXKAF-INIZCTEOSA-N 2 2 300.431 2.391 10 0 DEAELP c1nc(-c2ccccn2)sc1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261999421 145252372 /nfs/dbraw/zinc/25/23/72/145252372.db2.gz LENKTCGAYFXKAF-INIZCTEOSA-N 2 2 300.431 2.391 10 0 DEAELP Cc1nn(C)c2ncc(C[N@H+](CC[NH3+])CCc3ccccc3)cc12 ZINC000262112452 145263241 /nfs/dbraw/zinc/26/32/41/145263241.db2.gz WPSHKQBOAYTNME-UHFFFAOYSA-N 2 2 323.444 2.280 10 0 DEAELP Cc1nn(C)c2ncc(C[N@@H+](CC[NH3+])CCc3ccccc3)cc12 ZINC000262112452 145263243 /nfs/dbraw/zinc/26/32/43/145263243.db2.gz WPSHKQBOAYTNME-UHFFFAOYSA-N 2 2 323.444 2.280 10 0 DEAELP CC(C)c1ccc(NC(=O)C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000262528180 145290322 /nfs/dbraw/zinc/29/03/22/145290322.db2.gz PDEIOSHBMWHKSI-XIRDDKMYSA-N 2 2 301.434 2.418 10 0 DEAELP CC(C)c1ccc(NC(=O)C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000262528180 145290324 /nfs/dbraw/zinc/29/03/24/145290324.db2.gz PDEIOSHBMWHKSI-XIRDDKMYSA-N 2 2 301.434 2.418 10 0 DEAELP C[C@H](C(=O)NCc1ccc[nH+]c1N(C)C)[C@@H]([NH3+])c1ccccc1 ZINC000262661905 145298510 /nfs/dbraw/zinc/29/85/10/145298510.db2.gz GLVZWNJSKLBFAM-XJKSGUPXSA-N 2 2 312.417 2.100 10 0 DEAELP COCC[C@H](COC)[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309863247 145350474 /nfs/dbraw/zinc/35/04/74/145350474.db2.gz OHFJKGYDYOJURK-ZWKOTPCHSA-N 2 2 306.450 2.292 10 0 DEAELP COCC[C@H](COC)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309863247 145350475 /nfs/dbraw/zinc/35/04/75/145350475.db2.gz OHFJKGYDYOJURK-ZWKOTPCHSA-N 2 2 306.450 2.292 10 0 DEAELP COCC[C@H](COC)[NH2+][C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000309701184 145351114 /nfs/dbraw/zinc/35/11/14/145351114.db2.gz GBQSNUJPEVSGRA-JQHSSLGASA-N 2 2 306.450 2.291 10 0 DEAELP COCC[C@H](COC)[NH2+][C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000309701184 145351117 /nfs/dbraw/zinc/35/11/17/145351117.db2.gz GBQSNUJPEVSGRA-JQHSSLGASA-N 2 2 306.450 2.291 10 0 DEAELP Brc1cnc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)s1 ZINC000565333703 292154938 /nfs/dbraw/zinc/15/49/38/292154938.db2.gz ZRPORNLWCZYBMK-SSDOTTSWSA-N 2 2 313.224 2.276 10 0 DEAELP Brc1cnc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)s1 ZINC000565333703 292154939 /nfs/dbraw/zinc/15/49/39/292154939.db2.gz ZRPORNLWCZYBMK-SSDOTTSWSA-N 2 2 313.224 2.276 10 0 DEAELP C[NH+]1CCN(c2ncccc2CNc2cc[nH+]c(C3CC3)n2)CC1 ZINC000110308969 401688980 /nfs/dbraw/zinc/68/89/80/401688980.db2.gz HESDSXQZAXIZHP-UHFFFAOYSA-N 2 2 324.432 2.113 10 0 DEAELP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCCN(C(=O)c2cccs2)CC1 ZINC000089427941 401946499 /nfs/dbraw/zinc/94/64/99/401946499.db2.gz ICIBIHCWFWHVCL-OAHLLOKOSA-N 2 2 321.490 2.380 10 0 DEAELP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCN(C(=O)c2cccs2)CC1 ZINC000089427941 401946502 /nfs/dbraw/zinc/94/65/02/401946502.db2.gz ICIBIHCWFWHVCL-OAHLLOKOSA-N 2 2 321.490 2.380 10 0 DEAELP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCN(C(=O)c2cccs2)CC1 ZINC000089427941 401946505 /nfs/dbraw/zinc/94/65/05/401946505.db2.gz ICIBIHCWFWHVCL-OAHLLOKOSA-N 2 2 321.490 2.380 10 0 DEAELP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCN(C(=O)c2cccs2)CC1 ZINC000089427941 401946507 /nfs/dbraw/zinc/94/65/07/401946507.db2.gz ICIBIHCWFWHVCL-OAHLLOKOSA-N 2 2 321.490 2.380 10 0 DEAELP CCC[NH+]1CCC(CNC(=O)N(C)CCCn2cc[nH+]c2)CC1 ZINC000151391794 402033932 /nfs/dbraw/zinc/03/39/32/402033932.db2.gz HOSISPBAMXBTAC-UHFFFAOYSA-N 2 2 321.469 2.037 10 0 DEAELP C[C@H]1C[C@@H]([NH+](C)CC(=O)N(C)Cc2ccccc2)CC[N@@H+]1C ZINC000123146780 402113313 /nfs/dbraw/zinc/11/33/13/402113313.db2.gz WCSAJCRNVBGWRY-RDJZCZTQSA-N 2 2 303.450 2.060 10 0 DEAELP C[C@H]1C[C@@H]([NH+](C)CC(=O)N(C)Cc2ccccc2)CC[N@H+]1C ZINC000123146780 402113315 /nfs/dbraw/zinc/11/33/15/402113315.db2.gz WCSAJCRNVBGWRY-RDJZCZTQSA-N 2 2 303.450 2.060 10 0 DEAELP C[C@H]1C[C@@H]([N@H+](C)CC(=O)N(C)Cc2ccccc2)CC[NH+]1C ZINC000123146780 402113316 /nfs/dbraw/zinc/11/33/16/402113316.db2.gz WCSAJCRNVBGWRY-RDJZCZTQSA-N 2 2 303.450 2.060 10 0 DEAELP C[C@H]1C[C@@H]([N@@H+](C)CC(=O)N(C)Cc2ccccc2)CC[NH+]1C ZINC000123146780 402113318 /nfs/dbraw/zinc/11/33/18/402113318.db2.gz WCSAJCRNVBGWRY-RDJZCZTQSA-N 2 2 303.450 2.060 10 0 DEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCNC(=O)OC(C)(C)C ZINC000177517236 402411705 /nfs/dbraw/zinc/41/17/05/402411705.db2.gz ZPXSRTNEYLPTLC-AWEZNQCLSA-N 2 2 308.426 2.181 10 0 DEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCNC(=O)OC(C)(C)C ZINC000177517236 402411706 /nfs/dbraw/zinc/41/17/06/402411706.db2.gz ZPXSRTNEYLPTLC-AWEZNQCLSA-N 2 2 308.426 2.181 10 0 DEAELP OC[C@]1([NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)CCOC1 ZINC000186646295 402451071 /nfs/dbraw/zinc/45/10/71/402451071.db2.gz NDNHHAMKMVERAO-QGZVFWFLSA-N 2 2 324.852 2.045 10 0 DEAELP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]1CCCn2cc[nH+]c21 ZINC000245422137 402458635 /nfs/dbraw/zinc/45/86/35/402458635.db2.gz PACXHIMJNYGREC-QXSJWSMHSA-N 2 2 318.465 2.243 10 0 DEAELP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]1CCCn2cc[nH+]c21 ZINC000245422137 402458636 /nfs/dbraw/zinc/45/86/36/402458636.db2.gz PACXHIMJNYGREC-QXSJWSMHSA-N 2 2 318.465 2.243 10 0 DEAELP CCC[C@@H](C(=O)NCCn1c(C)[nH+]c2ccccc21)[NH+](C)C ZINC000178662294 402523138 /nfs/dbraw/zinc/52/31/38/402523138.db2.gz PMDATYRNHPBLMR-INIZCTEOSA-N 2 2 302.422 2.191 10 0 DEAELP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1ccc2c(c1)sc(=O)n2C ZINC000262012364 402721303 /nfs/dbraw/zinc/72/13/03/402721303.db2.gz MJRWKRYCOGVLCE-AAEUAGOBSA-N 2 2 305.447 2.302 10 0 DEAELP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1ccc2c(c1)sc(=O)n2C ZINC000262012364 402721305 /nfs/dbraw/zinc/72/13/05/402721305.db2.gz MJRWKRYCOGVLCE-AAEUAGOBSA-N 2 2 305.447 2.302 10 0 DEAELP c1cn(CCC[N@@H+]2CCC[C@H](c3nncn3C3CC3)C2)c[nH+]1 ZINC000182963762 402730084 /nfs/dbraw/zinc/73/00/84/402730084.db2.gz WJEMZGHDBBTABE-AWEZNQCLSA-N 2 2 300.410 2.079 10 0 DEAELP c1cn(CCC[N@H+]2CCC[C@H](c3nncn3C3CC3)C2)c[nH+]1 ZINC000182963762 402730087 /nfs/dbraw/zinc/73/00/87/402730087.db2.gz WJEMZGHDBBTABE-AWEZNQCLSA-N 2 2 300.410 2.079 10 0 DEAELP CCN(CC)C(=O)[C@@H](c1ccccc1)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193619197 402774005 /nfs/dbraw/zinc/77/40/05/402774005.db2.gz YRUHTQWYYKNVDT-FGTMMUONSA-N 2 2 315.461 2.090 10 0 DEAELP CCN(CC)C(=O)[C@@H](c1ccccc1)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193619197 402774006 /nfs/dbraw/zinc/77/40/06/402774006.db2.gz YRUHTQWYYKNVDT-FGTMMUONSA-N 2 2 315.461 2.090 10 0 DEAELP CCN(CC)C(=O)[C@@H](c1ccccc1)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193619197 402774009 /nfs/dbraw/zinc/77/40/09/402774009.db2.gz YRUHTQWYYKNVDT-FGTMMUONSA-N 2 2 315.461 2.090 10 0 DEAELP CCN(CC)C(=O)[C@@H](c1ccccc1)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193619197 402774011 /nfs/dbraw/zinc/77/40/11/402774011.db2.gz YRUHTQWYYKNVDT-FGTMMUONSA-N 2 2 315.461 2.090 10 0 DEAELP Cn1c(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)nnc1C1CC1 ZINC000195516044 402849932 /nfs/dbraw/zinc/84/99/32/402849932.db2.gz RXLDWDMKKZPJAF-ZDUSSCGKSA-N 2 2 312.421 2.022 10 0 DEAELP Cn1c(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)nnc1C1CC1 ZINC000195516044 402849934 /nfs/dbraw/zinc/84/99/34/402849934.db2.gz RXLDWDMKKZPJAF-ZDUSSCGKSA-N 2 2 312.421 2.022 10 0 DEAELP c1cn(CCCC2CC[NH+](C[C@@H]3CCc4ncnn43)CC2)c[nH+]1 ZINC000639582562 406154657 /nfs/dbraw/zinc/15/46/57/406154657.db2.gz HWUAWQWSRWBHFM-INIZCTEOSA-N 2 2 314.437 2.154 10 0 DEAELP c1cncc(C[NH+]2CCN(Cc3ccc4c(c3)C[NH2+]CC4)CC2)c1 ZINC000519411756 406197265 /nfs/dbraw/zinc/19/72/65/406197265.db2.gz SNOKOOKETALPKL-UHFFFAOYSA-N 2 2 322.456 2.045 10 0 DEAELP c1nnn(Cc2ccccc2)c1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000490576903 406472372 /nfs/dbraw/zinc/47/23/72/406472372.db2.gz DSJJHOPPHZJKSI-IAGOWNOFSA-N 2 2 311.433 2.043 10 0 DEAELP c1nnn(Cc2ccccc2)c1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000490576903 406472375 /nfs/dbraw/zinc/47/23/75/406472375.db2.gz DSJJHOPPHZJKSI-IAGOWNOFSA-N 2 2 311.433 2.043 10 0 DEAELP c1ccc(OC2CCC2)c(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)c1 ZINC000422915785 230276230 /nfs/dbraw/zinc/27/62/30/230276230.db2.gz YZNPRTDMNJKRAX-RTBURBONSA-N 2 2 316.445 2.475 10 0 DEAELP Cc1nc(N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)nc(N)[nH+]1 ZINC000379686929 424907558 /nfs/dbraw/zinc/90/75/58/424907558.db2.gz BYFJHDNUQYRWBW-WFASDCNBSA-N 2 2 312.421 2.227 10 0 DEAELP Cc1nc(N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)nc(N)[nH+]1 ZINC000379686929 424907561 /nfs/dbraw/zinc/90/75/61/424907561.db2.gz BYFJHDNUQYRWBW-WFASDCNBSA-N 2 2 312.421 2.227 10 0 DEAELP Cc1nc(N)nc(N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)[nH+]1 ZINC000379686929 424907563 /nfs/dbraw/zinc/90/75/63/424907563.db2.gz BYFJHDNUQYRWBW-WFASDCNBSA-N 2 2 312.421 2.227 10 0 DEAELP Cc1nc(N)nc(N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)[nH+]1 ZINC000379686929 424907564 /nfs/dbraw/zinc/90/75/64/424907564.db2.gz BYFJHDNUQYRWBW-WFASDCNBSA-N 2 2 312.421 2.227 10 0 DEAELP CCO[C@@H]1C[N@H+](Cc2csc(Br)c2)C[C@H]1C[NH3+] ZINC000405455207 424931300 /nfs/dbraw/zinc/93/13/00/424931300.db2.gz PJSBKTPGZOUEEL-GHMZBOCLSA-N 2 2 319.268 2.306 10 0 DEAELP CCO[C@@H]1C[N@@H+](Cc2csc(Br)c2)C[C@H]1C[NH3+] ZINC000405455207 424931301 /nfs/dbraw/zinc/93/13/01/424931301.db2.gz PJSBKTPGZOUEEL-GHMZBOCLSA-N 2 2 319.268 2.306 10 0 DEAELP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+][C@@H]3CCC[NH2+]CC3)C2)cc1 ZINC000390619071 269097782 /nfs/dbraw/zinc/09/77/82/269097782.db2.gz YZNGCNAMQAKGEA-RTBURBONSA-N 3 2 317.477 2.009 10 0 DEAELP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+][C@@H]3CCC[NH2+]CC3)C2)cc1 ZINC000390619071 269097783 /nfs/dbraw/zinc/09/77/83/269097783.db2.gz YZNGCNAMQAKGEA-RTBURBONSA-N 3 2 317.477 2.009 10 0 DEAELP C[N@@H+]1CCCC[C@H]1CN1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000095977442 277047375 /nfs/dbraw/zinc/04/73/75/277047375.db2.gz BVDZKOUXYTUCDF-HNNXBMFYSA-N 2 2 313.449 2.169 10 0 DEAELP C[N@H+]1CCCC[C@H]1CN1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000095977442 277047376 /nfs/dbraw/zinc/04/73/76/277047376.db2.gz BVDZKOUXYTUCDF-HNNXBMFYSA-N 2 2 313.449 2.169 10 0 DEAELP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CCN(C(=O)c2ccncc2)C1 ZINC000368014535 281483268 /nfs/dbraw/zinc/48/32/68/281483268.db2.gz GMKCBXFUJVNHSA-GOSISDBHSA-N 2 2 324.428 2.222 10 0 DEAELP [NH3+]C1CCC([NH2+]CC2(C[NH+]3CCOCC3)CCCCC2)CC1 ZINC000328617767 534559348 /nfs/dbraw/zinc/55/93/48/534559348.db2.gz UMFLFRWURRFECF-UHFFFAOYSA-N 3 2 309.498 2.129 10 0 DEAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(OC)cc1OC ZINC000163420538 523835270 /nfs/dbraw/zinc/83/52/70/523835270.db2.gz UJRWBTRGDKFIAA-GJZGRUSLSA-N 2 2 322.449 2.465 10 0 DEAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(OC)cc1OC ZINC000163420538 523835278 /nfs/dbraw/zinc/83/52/78/523835278.db2.gz UJRWBTRGDKFIAA-GJZGRUSLSA-N 2 2 322.449 2.465 10 0 DEAELP COc1ccc([C@@H](C)[NH2+]CCn2cc[nH+]c2)cc1NC(C)=O ZINC000155720529 525151582 /nfs/dbraw/zinc/15/15/82/525151582.db2.gz IDAVQRTWYJAHRX-GFCCVEGCSA-N 2 2 302.378 2.201 10 0 DEAELP Cc1nnc(CCC[N@@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)o1 ZINC000299741915 534866289 /nfs/dbraw/zinc/86/62/89/534866289.db2.gz HSXKKPJJKYYMMC-CQSZACIVSA-N 2 2 315.421 2.333 10 0 DEAELP Cc1nnc(CCC[N@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)o1 ZINC000299741915 534866294 /nfs/dbraw/zinc/86/62/94/534866294.db2.gz HSXKKPJJKYYMMC-CQSZACIVSA-N 2 2 315.421 2.333 10 0 DEAELP C=Cn1cc(C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)cn1 ZINC000447847648 526283412 /nfs/dbraw/zinc/28/34/12/526283412.db2.gz GUUWFFLUAHAYQI-UHFFFAOYSA-N 2 2 312.417 2.106 10 0 DEAELP CCN(C(=O)C[N@@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1)C1CC1 ZINC000299751614 528955644 /nfs/dbraw/zinc/95/56/44/528955644.db2.gz QZYZYHSJEPHVCJ-OAHLLOKOSA-N 2 2 316.449 2.020 10 0 DEAELP CCN(C(=O)C[N@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1)C1CC1 ZINC000299751614 528955653 /nfs/dbraw/zinc/95/56/53/528955653.db2.gz QZYZYHSJEPHVCJ-OAHLLOKOSA-N 2 2 316.449 2.020 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCC[N@H+]1CC=CCC1)C2 ZINC000373624681 535382642 /nfs/dbraw/zinc/38/26/42/535382642.db2.gz PLUGLOWKWDGOJM-CQSZACIVSA-N 2 2 316.449 2.016 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCC[N@@H+]1CC=CCC1)C2 ZINC000373624681 535382643 /nfs/dbraw/zinc/38/26/43/535382643.db2.gz PLUGLOWKWDGOJM-CQSZACIVSA-N 2 2 316.449 2.016 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCC[N@H+]1CC=CCC1)CC2 ZINC000373624681 535382644 /nfs/dbraw/zinc/38/26/44/535382644.db2.gz PLUGLOWKWDGOJM-CQSZACIVSA-N 2 2 316.449 2.016 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCC[N@@H+]1CC=CCC1)CC2 ZINC000373624681 535382645 /nfs/dbraw/zinc/38/26/45/535382645.db2.gz PLUGLOWKWDGOJM-CQSZACIVSA-N 2 2 316.449 2.016 10 0 DEAELP CCN(Cc1ccccc1)C(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261548679 535787670 /nfs/dbraw/zinc/78/76/70/535787670.db2.gz NVKRVRGIFZGEEL-JWTNVVGKSA-N 2 2 315.461 2.250 10 0 DEAELP CCN(Cc1ccccc1)C(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261548679 535787672 /nfs/dbraw/zinc/78/76/72/535787672.db2.gz NVKRVRGIFZGEEL-JWTNVVGKSA-N 2 2 315.461 2.250 10 0 DEAELP C[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C[C@@]1(C)CC[NH2+]C1 ZINC000261692735 536434123 /nfs/dbraw/zinc/43/41/23/536434123.db2.gz BBWCKLIVTRPCTP-OALUTQOASA-N 3 2 301.478 2.440 10 0 DEAELP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C[C@@]1(C)CC[NH2+]C1 ZINC000261692735 536434125 /nfs/dbraw/zinc/43/41/25/536434125.db2.gz BBWCKLIVTRPCTP-OALUTQOASA-N 3 2 301.478 2.440 10 0 DEAELP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C[C@@]1(C)CC[NH2+]C1 ZINC000261692735 536434128 /nfs/dbraw/zinc/43/41/28/536434128.db2.gz BBWCKLIVTRPCTP-OALUTQOASA-N 3 2 301.478 2.440 10 0 DEAELP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@@]1(C)CC[NH2+]C1 ZINC000261692735 536434130 /nfs/dbraw/zinc/43/41/30/536434130.db2.gz BBWCKLIVTRPCTP-OALUTQOASA-N 3 2 301.478 2.440 10 0 DEAELP C[C@H]1C[N@H+](Cc2cnc(NC(=O)CC3CC3)s2)CC[C@H]1[NH3+] ZINC000725272090 563577210 /nfs/dbraw/zinc/57/72/10/563577210.db2.gz MDXAZCKEVVSBOI-GXFFZTMASA-N 2 2 308.451 2.051 10 0 DEAELP C[C@H]1C[N@@H+](Cc2cnc(NC(=O)CC3CC3)s2)CC[C@H]1[NH3+] ZINC000725272090 563577213 /nfs/dbraw/zinc/57/72/13/563577213.db2.gz MDXAZCKEVVSBOI-GXFFZTMASA-N 2 2 308.451 2.051 10 0 DEAELP CCC[C@H]1CC(=O)N(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)C1 ZINC000176083419 624622147 /nfs/dbraw/zinc/62/21/47/624622147.db2.gz IBYGZNRGQYFWGE-JKSUJKDBSA-N 2 2 304.438 2.262 10 0 DEAELP CCC[C@H]1CC(=O)N(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)C1 ZINC000176083419 624622148 /nfs/dbraw/zinc/62/21/48/624622148.db2.gz IBYGZNRGQYFWGE-JKSUJKDBSA-N 2 2 304.438 2.262 10 0 DEAELP C[C@@H]1CCCN(C(=O)/C=C/c2ccc(-n3cc[nH+]c3)cc2)[C@@H]1C[NH3+] ZINC000156739871 684291519 /nfs/dbraw/zinc/29/15/19/684291519.db2.gz DBTAKGQLCQBMBU-VBOZERGBSA-N 2 2 324.428 2.471 10 0 DEAELP CNc1cc(N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@]3(C)C2)nc[nH+]1 ZINC000702286813 1086421323 /nfs/dbraw/zinc/42/13/23/1086421323.db2.gz JTLRMIALTKZESX-QFBILLFUSA-N 2 2 323.444 2.477 10 0 DEAELP CNc1cc(N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@]3(C)C2)nc[nH+]1 ZINC000702286813 1086421327 /nfs/dbraw/zinc/42/13/27/1086421327.db2.gz JTLRMIALTKZESX-QFBILLFUSA-N 2 2 323.444 2.477 10 0 DEAELP C[C@H](C[NH2+]CC1CN(C(=O)OC(C)(C)C)C1)[NH+]1CCCCC1 ZINC000710836092 1086689226 /nfs/dbraw/zinc/68/92/26/1086689226.db2.gz IKGPSIFSUJTHTD-CQSZACIVSA-N 2 2 311.470 2.317 10 0 DEAELP C[NH+](C)CC[C@H](NC(=O)[C@@H]1CCCn2cc[nH+]c21)C(C)(C)C ZINC000081764489 192321514 /nfs/dbraw/zinc/32/15/14/192321514.db2.gz PADQUUXSZUEPPT-KGLIPLIRSA-N 2 2 306.454 2.243 10 0 DEAELP COc1cc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)ccc1F ZINC000153152944 282162616 /nfs/dbraw/zinc/16/26/16/282162616.db2.gz NTFNOGGGCGRCPP-ZFWWWQNUSA-N 2 2 310.413 2.332 10 0 DEAELP C[C@@H](C(=O)Nc1ccccc1C[NH3+])[N@H+](C)CCC(F)(F)F ZINC000088417636 185249240 /nfs/dbraw/zinc/24/92/40/185249240.db2.gz GXLMTEVNDLYPMJ-JTQLQIEISA-N 2 2 303.328 2.357 10 0 DEAELP C[C@@H](C(=O)Nc1ccccc1C[NH3+])[N@@H+](C)CCC(F)(F)F ZINC000088417636 185249241 /nfs/dbraw/zinc/24/92/41/185249241.db2.gz GXLMTEVNDLYPMJ-JTQLQIEISA-N 2 2 303.328 2.357 10 0 DEAELP CCC[C@@H](C(=O)N1CC[NH+](Cc2ccccc2C)CC1)[NH+](C)C ZINC000179238848 282219562 /nfs/dbraw/zinc/21/95/62/282219562.db2.gz RAEOSDHBHRJAJI-SFHVURJKSA-N 2 2 317.477 2.370 10 0 DEAELP Cc1c(Cl)cccc1NC(=O)C[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2[C@@H]1C ZINC000090326826 185291226 /nfs/dbraw/zinc/29/12/26/185291226.db2.gz NJVNFLWAOPVNRS-RWMBFGLXSA-N 2 2 307.825 2.127 10 0 DEAELP Cc1c(Cl)cccc1NC(=O)C[N@@H+]1C[C@@H]2C[NH2+]C[C@@H]2[C@@H]1C ZINC000090326826 185291227 /nfs/dbraw/zinc/29/12/27/185291227.db2.gz NJVNFLWAOPVNRS-RWMBFGLXSA-N 2 2 307.825 2.127 10 0 DEAELP C[NH2+]C[C@@H](C)C(=O)N1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000237174282 290672203 /nfs/dbraw/zinc/67/22/03/290672203.db2.gz AKDMQGHDJVZDRW-KGLIPLIRSA-N 2 2 323.868 2.401 10 0 DEAELP C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc(Cl)c1-n1cc[nH+]c1 ZINC000092951638 185350372 /nfs/dbraw/zinc/35/03/72/185350372.db2.gz BQFYHOGHMUTITN-QWRGUYRKSA-N 2 2 304.781 2.462 10 0 DEAELP c1ccc(NC[C@H]2CC[N@@H+](CCO[C@@H]3CCCCO3)C2)[nH+]c1 ZINC000181712678 199343118 /nfs/dbraw/zinc/34/31/18/199343118.db2.gz ASCRIVCOWMTXMB-NVXWUHKLSA-N 2 2 305.422 2.359 10 0 DEAELP c1ccc(NC[C@H]2CC[N@H+](CCO[C@@H]3CCCCO3)C2)[nH+]c1 ZINC000181712678 199343120 /nfs/dbraw/zinc/34/31/20/199343120.db2.gz ASCRIVCOWMTXMB-NVXWUHKLSA-N 2 2 305.422 2.359 10 0 DEAELP C[C@@H]([NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccoc1 ZINC000177918738 539633109 /nfs/dbraw/zinc/63/31/09/539633109.db2.gz YUTJNISXIXGEJF-KDOFPFPSSA-N 2 2 300.402 2.349 10 0 DEAELP C[C@@H]([NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1)c1ccoc1 ZINC000177918738 539633112 /nfs/dbraw/zinc/63/31/12/539633112.db2.gz YUTJNISXIXGEJF-KDOFPFPSSA-N 2 2 300.402 2.349 10 0 DEAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](Cc2cncnc2)C1 ZINC000190457905 539694847 /nfs/dbraw/zinc/69/48/47/539694847.db2.gz XMRXODMWJPXVHY-CQSZACIVSA-N 2 2 317.462 2.195 10 0 DEAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](Cc2cncnc2)C1 ZINC000190457905 539694852 /nfs/dbraw/zinc/69/48/52/539694852.db2.gz XMRXODMWJPXVHY-CQSZACIVSA-N 2 2 317.462 2.195 10 0 DEAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](Cc2cncnc2)C1 ZINC000190457905 539694857 /nfs/dbraw/zinc/69/48/57/539694857.db2.gz XMRXODMWJPXVHY-CQSZACIVSA-N 2 2 317.462 2.195 10 0 DEAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](Cc2cncnc2)C1 ZINC000190457905 539694859 /nfs/dbraw/zinc/69/48/59/539694859.db2.gz XMRXODMWJPXVHY-CQSZACIVSA-N 2 2 317.462 2.195 10 0 DEAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](Cc2cncnc2)C1 ZINC000190457885 539695023 /nfs/dbraw/zinc/69/50/23/539695023.db2.gz XMRXODMWJPXVHY-AWEZNQCLSA-N 2 2 317.462 2.195 10 0 DEAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2cncnc2)C1 ZINC000190457885 539695029 /nfs/dbraw/zinc/69/50/29/539695029.db2.gz XMRXODMWJPXVHY-AWEZNQCLSA-N 2 2 317.462 2.195 10 0 DEAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](Cc2cncnc2)C1 ZINC000190457885 539695033 /nfs/dbraw/zinc/69/50/33/539695033.db2.gz XMRXODMWJPXVHY-AWEZNQCLSA-N 2 2 317.462 2.195 10 0 DEAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cncnc2)C1 ZINC000190457885 539695036 /nfs/dbraw/zinc/69/50/36/539695036.db2.gz XMRXODMWJPXVHY-AWEZNQCLSA-N 2 2 317.462 2.195 10 0 DEAELP C[NH+](C)C1CC[NH+](C[C@@H](O)COc2ccccc2Cl)CC1 ZINC000193812723 539715144 /nfs/dbraw/zinc/71/51/44/539715144.db2.gz XUVOYINSWIVJAL-CQSZACIVSA-N 2 2 312.841 2.106 10 0 DEAELP Cc1cc(C)cc(OC[C@H](O)C[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000193812659 539715606 /nfs/dbraw/zinc/71/56/06/539715606.db2.gz NIMUPMNZECUJDJ-QGZVFWFLSA-N 2 2 306.450 2.069 10 0 DEAELP CCCCCNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000080599475 192171736 /nfs/dbraw/zinc/17/17/36/192171736.db2.gz AXCCBTNQFTXNIE-UHFFFAOYSA-N 2 2 324.513 2.426 10 0 DEAELP CC[C@H]([NH3+])[C@H](c1sccc1C)[NH+]1CCC(NC(C)=O)CC1 ZINC000133698700 186008100 /nfs/dbraw/zinc/00/81/00/186008100.db2.gz ODPBNGRACSQRIF-LSDHHAIUSA-N 2 2 309.479 2.435 10 0 DEAELP C[NH+](C)CC[C@@H](NC(=O)[C@H]1CCCn2cc[nH+]c21)C(C)(C)C ZINC000081764492 192321066 /nfs/dbraw/zinc/32/10/66/192321066.db2.gz PADQUUXSZUEPPT-UONOGXRCSA-N 2 2 306.454 2.243 10 0 DEAELP c1[nH+]cn2ccc(-c3noc([C@H]4CCn5c[nH+]cc5C4)n3)cc12 ZINC000351068079 356606425 /nfs/dbraw/zinc/60/64/25/356606425.db2.gz ABGIJRLQEPACAC-LBPRGKRZSA-N 2 2 306.329 2.311 10 0 DEAELP CC(C)OC[C@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000380963005 356669868 /nfs/dbraw/zinc/66/98/68/356669868.db2.gz XISQDLHXUVJMGA-CGTJXYLNSA-N 2 2 306.450 2.025 10 0 DEAELP CC(C)OC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000380963005 356669872 /nfs/dbraw/zinc/66/98/72/356669872.db2.gz XISQDLHXUVJMGA-CGTJXYLNSA-N 2 2 306.450 2.025 10 0 DEAELP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccccc1N(C)C ZINC000179403687 199029184 /nfs/dbraw/zinc/02/91/84/199029184.db2.gz SPOKPVFTGUVNMX-JKSUJKDBSA-N 2 2 305.466 2.250 10 0 DEAELP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1nc2ccccc2n1C ZINC000180045008 199110944 /nfs/dbraw/zinc/11/09/44/199110944.db2.gz NMQYEBRFDVEDPT-HUUCEWRRSA-N 2 2 316.449 2.071 10 0 DEAELP O[C@@H](C[NH2+]Cc1ccc(Cl)cc1F)C[NH+]1CCCCC1 ZINC000189277993 200375021 /nfs/dbraw/zinc/37/50/21/200375021.db2.gz KMEFSAUMGRRBGA-AWEZNQCLSA-N 2 2 300.805 2.416 10 0 DEAELP O=C(Nc1ccc2[nH+]ccn2c1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000606582645 361023239 /nfs/dbraw/zinc/02/32/39/361023239.db2.gz YCFMNFAVJNDZKY-HNNXBMFYSA-N 2 2 313.405 2.426 10 0 DEAELP CC(C)OC(=O)CC[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195296533 201374543 /nfs/dbraw/zinc/37/45/43/201374543.db2.gz CFRPYEYWBMYSFH-QGZVFWFLSA-N 2 2 319.449 2.177 10 0 DEAELP CC(C)OC(=O)CC[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195296533 201374547 /nfs/dbraw/zinc/37/45/47/201374547.db2.gz CFRPYEYWBMYSFH-QGZVFWFLSA-N 2 2 319.449 2.177 10 0 DEAELP CC(C)OC(=O)CC[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195296533 201374549 /nfs/dbraw/zinc/37/45/49/201374549.db2.gz CFRPYEYWBMYSFH-QGZVFWFLSA-N 2 2 319.449 2.177 10 0 DEAELP CC(C)OC(=O)CC[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195296533 201374553 /nfs/dbraw/zinc/37/45/53/201374553.db2.gz CFRPYEYWBMYSFH-QGZVFWFLSA-N 2 2 319.449 2.177 10 0 DEAELP CCOC(=O)[C@H](CC)[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195292739 201374971 /nfs/dbraw/zinc/37/49/71/201374971.db2.gz SITDGDGMLQEAAH-SJORKVTESA-N 2 2 319.449 2.177 10 0 DEAELP CCOC(=O)[C@H](CC)[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195292739 201374974 /nfs/dbraw/zinc/37/49/74/201374974.db2.gz SITDGDGMLQEAAH-SJORKVTESA-N 2 2 319.449 2.177 10 0 DEAELP CCOC(=O)[C@H](CC)[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195292739 201374978 /nfs/dbraw/zinc/37/49/78/201374978.db2.gz SITDGDGMLQEAAH-SJORKVTESA-N 2 2 319.449 2.177 10 0 DEAELP CCOC(=O)[C@H](CC)[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195292739 201374980 /nfs/dbraw/zinc/37/49/80/201374980.db2.gz SITDGDGMLQEAAH-SJORKVTESA-N 2 2 319.449 2.177 10 0 DEAELP CC[NH2+][C@@H](CCCS(C)(=O)=O)C(CC)(CC)[NH+]1CCCC1 ZINC000091635506 193083188 /nfs/dbraw/zinc/08/31/88/193083188.db2.gz AFBUNZFRYCPTKA-HNNXBMFYSA-N 2 2 318.527 2.444 10 0 DEAELP CC(=O)N1CC[C@H]([NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)c2ccccc2C1 ZINC000629543335 367242277 /nfs/dbraw/zinc/24/22/77/367242277.db2.gz YRZGSXWLWVUFJZ-QBIMZIAESA-N 2 2 301.434 2.210 10 0 DEAELP CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)(C)C[NH+](C)Cc1ccccc1 ZINC000092098892 193157901 /nfs/dbraw/zinc/15/79/01/193157901.db2.gz BCMTVNDFFLTNJZ-KRWDZBQOSA-N 2 2 317.477 2.355 10 0 DEAELP CNC(=O)[C@@H]1CCC[N@H+]1CC(C)(C)C[NH+](C)Cc1ccccc1 ZINC000092098892 193157903 /nfs/dbraw/zinc/15/79/03/193157903.db2.gz BCMTVNDFFLTNJZ-KRWDZBQOSA-N 2 2 317.477 2.355 10 0 DEAELP CNC(=O)[C@@H]1CCC[NH+]1CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000092098892 193157904 /nfs/dbraw/zinc/15/79/04/193157904.db2.gz BCMTVNDFFLTNJZ-KRWDZBQOSA-N 2 2 317.477 2.355 10 0 DEAELP CNC(=O)[C@@H]1CCC[NH+]1CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000092098892 193157906 /nfs/dbraw/zinc/15/79/06/193157906.db2.gz BCMTVNDFFLTNJZ-KRWDZBQOSA-N 2 2 317.477 2.355 10 0 DEAELP c1cc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)n(CC2CCC2)n1 ZINC000631178831 368063796 /nfs/dbraw/zinc/06/37/96/368063796.db2.gz WUHXISZCIMHJMN-GOSISDBHSA-N 2 2 318.465 2.026 10 0 DEAELP [NH3+][C@H]1C=C[C@H](C(=O)Nc2cccc(Cl)c2-n2cc[nH+]c2)C1 ZINC000092202400 193173012 /nfs/dbraw/zinc/17/30/12/193173012.db2.gz PQENOCWYAPSSQF-QWRGUYRKSA-N 2 2 302.765 2.368 10 0 DEAELP C[C@@H]1C[N@H+](CC(=O)Nc2ccc(Cl)c(Cl)c2)C[C@H]1C[NH3+] ZINC000631845067 368420109 /nfs/dbraw/zinc/42/01/09/368420109.db2.gz SDHDBBHFGVGDDR-NXEZZACHSA-N 2 2 316.232 2.459 10 0 DEAELP C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(Cl)c(Cl)c2)C[C@H]1C[NH3+] ZINC000631845067 368420110 /nfs/dbraw/zinc/42/01/10/368420110.db2.gz SDHDBBHFGVGDDR-NXEZZACHSA-N 2 2 316.232 2.459 10 0 DEAELP C[NH2+][C@@H](Cc1ccc(Cl)cc1Cl)[C@H]1C[N@H+](C)CCN1C ZINC000093894729 193325333 /nfs/dbraw/zinc/32/53/33/193325333.db2.gz KLMNNUVZFXBCAA-LSDHHAIUSA-N 2 2 316.276 2.370 10 0 DEAELP C[NH2+][C@@H](Cc1ccc(Cl)cc1Cl)[C@H]1C[N@@H+](C)CCN1C ZINC000093894729 193325335 /nfs/dbraw/zinc/32/53/35/193325335.db2.gz KLMNNUVZFXBCAA-LSDHHAIUSA-N 2 2 316.276 2.370 10 0 DEAELP CCC[NH2+][C@H]1CCCc2sc([C@@H]3C[N@H+](C)CCN3C)nc21 ZINC000093896270 193325505 /nfs/dbraw/zinc/32/55/05/193325505.db2.gz PRMZQGUWIPVGMH-STQMWFEESA-N 2 2 308.495 2.438 10 0 DEAELP CCC[NH2+][C@H]1CCCc2sc([C@@H]3C[N@@H+](C)CCN3C)nc21 ZINC000093896270 193325506 /nfs/dbraw/zinc/32/55/06/193325506.db2.gz PRMZQGUWIPVGMH-STQMWFEESA-N 2 2 308.495 2.438 10 0 DEAELP CCC[NH2+][C@H]1CCCc2nc([C@H]3C[N@H+](C)CCN3C)sc21 ZINC000093896231 193325633 /nfs/dbraw/zinc/32/56/33/193325633.db2.gz HKMBHALKBLIYEM-GXTWGEPZSA-N 2 2 308.495 2.438 10 0 DEAELP CCC[NH2+][C@H]1CCCc2nc([C@H]3C[N@@H+](C)CCN3C)sc21 ZINC000093896231 193325634 /nfs/dbraw/zinc/32/56/34/193325634.db2.gz HKMBHALKBLIYEM-GXTWGEPZSA-N 2 2 308.495 2.438 10 0 DEAELP Cc1cccc(N2CC[NH+]([C@]3(C[NH3+])CS[C@@H](C)C3)CC2)c1 ZINC000094473259 193372280 /nfs/dbraw/zinc/37/22/80/193372280.db2.gz HYCXEYWJXSVGIA-DOTOQJQBSA-N 2 2 305.491 2.340 10 0 DEAELP Cn1cc[nH+]c1CC[NH2+][C@H](c1cccs1)c1nccn1C ZINC000040639141 183113305 /nfs/dbraw/zinc/11/33/05/183113305.db2.gz PSABXQNSURXCSR-CQSZACIVSA-N 2 2 301.419 2.137 10 0 DEAELP C[N@H+](Cc1ccc(Br)cc1)[C@H](C[NH3+])[C@@H]1CCOC1 ZINC000042439860 183270593 /nfs/dbraw/zinc/27/05/93/183270593.db2.gz BPCLSKSWEGCODE-TZMCWYRMSA-N 2 2 313.239 2.245 10 0 DEAELP C[N@@H+](Cc1ccc(Br)cc1)[C@H](C[NH3+])[C@@H]1CCOC1 ZINC000042439860 183270597 /nfs/dbraw/zinc/27/05/97/183270597.db2.gz BPCLSKSWEGCODE-TZMCWYRMSA-N 2 2 313.239 2.245 10 0 DEAELP CC(C)c1nnc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)o1 ZINC000105876822 194154647 /nfs/dbraw/zinc/15/46/47/194154647.db2.gz NTFVAUMRHCUGAA-UHFFFAOYSA-N 2 2 303.410 2.381 10 0 DEAELP COc1cc[nH+]c(N2CCN(c3cc[nH+]c(C4CC4)n3)CC2)c1 ZINC000110541355 194338455 /nfs/dbraw/zinc/33/84/55/194338455.db2.gz PUSKHRMWZBEKTB-UHFFFAOYSA-N 2 2 311.389 2.084 10 0 DEAELP C[N@H+](C[C@@H]1CCCOC1)[C@@H](C[NH3+])c1ccc(Br)o1 ZINC000111157814 194396204 /nfs/dbraw/zinc/39/62/04/194396204.db2.gz ISHFIAQHFMGXRJ-QWRGUYRKSA-N 2 2 317.227 2.400 10 0 DEAELP C[N@@H+](C[C@@H]1CCCOC1)[C@@H](C[NH3+])c1ccc(Br)o1 ZINC000111157814 194396207 /nfs/dbraw/zinc/39/62/07/194396207.db2.gz ISHFIAQHFMGXRJ-QWRGUYRKSA-N 2 2 317.227 2.400 10 0 DEAELP C[NH2+][C@H]1CCCCC[C@@H]1C[NH+]1CCN(CC(F)(F)F)CC1 ZINC000061947738 184197970 /nfs/dbraw/zinc/19/79/70/184197970.db2.gz MRSHISGUQDKDLR-KGLIPLIRSA-N 2 2 307.404 2.335 10 0 DEAELP C[NH+](C)C(C)(C)CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1F ZINC000062092582 184205367 /nfs/dbraw/zinc/20/53/67/184205367.db2.gz RILMFVSBNWJJEC-INIZCTEOSA-N 2 2 321.440 2.247 10 0 DEAELP C[NH+](C)C(C)(C)CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1F ZINC000062092582 184205368 /nfs/dbraw/zinc/20/53/68/184205368.db2.gz RILMFVSBNWJJEC-INIZCTEOSA-N 2 2 321.440 2.247 10 0 DEAELP C[NH2+]Cc1sc(N2CCn3cc[nH+]c3C2)nc1C(C)(C)C ZINC000062328098 184231170 /nfs/dbraw/zinc/23/11/70/184231170.db2.gz HXLILDWOGZZVRQ-UHFFFAOYSA-N 2 2 305.451 2.377 10 0 DEAELP CCO[C@H](C[NH3+])C[N@H+](C)Cc1csc(Br)c1 ZINC000062739743 184252205 /nfs/dbraw/zinc/25/22/05/184252205.db2.gz QSIOKPVLGISQSM-SNVBAGLBSA-N 2 2 307.257 2.306 10 0 DEAELP CCO[C@H](C[NH3+])C[N@@H+](C)Cc1csc(Br)c1 ZINC000062739743 184252206 /nfs/dbraw/zinc/25/22/06/184252206.db2.gz QSIOKPVLGISQSM-SNVBAGLBSA-N 2 2 307.257 2.306 10 0 DEAELP Cc1cc([C@H](C[NH3+])[N@@H+](C)[C@@H]2CCOC2)ccc1Br ZINC000158668757 197292757 /nfs/dbraw/zinc/29/27/57/197292757.db2.gz YLBLCRCKOTTXAM-OCCSQVGLSA-N 2 2 313.239 2.478 10 0 DEAELP Cc1cc([C@H](C[NH3+])[N@H+](C)[C@@H]2CCOC2)ccc1Br ZINC000158668757 197292759 /nfs/dbraw/zinc/29/27/59/197292759.db2.gz YLBLCRCKOTTXAM-OCCSQVGLSA-N 2 2 313.239 2.478 10 0 DEAELP [NH3+][C@H]1C[C@@H]([NH+]2CCN(c3nccs3)CC2)c2ccccc21 ZINC000157503147 197192149 /nfs/dbraw/zinc/19/21/49/197192149.db2.gz UJKFWYULYACIRV-LSDHHAIUSA-N 2 2 300.431 2.410 10 0 DEAELP CCn1nc(C)c(C[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)n1 ZINC000294834371 224252768 /nfs/dbraw/zinc/25/27/68/224252768.db2.gz NQSZVMBTLCLGMO-OAHLLOKOSA-N 2 2 314.437 2.244 10 0 DEAELP CCn1nc(C)c(C[N@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)n1 ZINC000294834371 224252771 /nfs/dbraw/zinc/25/27/71/224252771.db2.gz NQSZVMBTLCLGMO-OAHLLOKOSA-N 2 2 314.437 2.244 10 0 DEAELP Cc1cc(C(=O)N2Cc3c[nH+]cn3[C@@H](C[NH+](C)C)C2)sc1C ZINC000248112285 257109436 /nfs/dbraw/zinc/10/94/36/257109436.db2.gz KKSSBJALEVANHP-AWEZNQCLSA-N 2 2 318.446 2.320 10 0 DEAELP CCOC(=O)C[C@@H](C)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000182666548 144919545 /nfs/dbraw/zinc/91/95/45/144919545.db2.gz BWTXHYGDDJJUPN-CYBMUJFWSA-N 2 2 302.378 2.041 10 0 DEAELP CCOC(=O)C[C@@H](C)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000182666548 144919546 /nfs/dbraw/zinc/91/95/46/144919546.db2.gz BWTXHYGDDJJUPN-CYBMUJFWSA-N 2 2 302.378 2.041 10 0 DEAELP Cc1oncc1C[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000189658599 145031573 /nfs/dbraw/zinc/03/15/73/145031573.db2.gz OGPIJAPQJQQDBR-SFHVURJKSA-N 2 2 315.417 2.052 10 0 DEAELP Cc1oncc1C[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000189658599 145031574 /nfs/dbraw/zinc/03/15/74/145031574.db2.gz OGPIJAPQJQQDBR-SFHVURJKSA-N 2 2 315.417 2.052 10 0 DEAELP Cc1oncc1C[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000189658599 145031577 /nfs/dbraw/zinc/03/15/77/145031577.db2.gz OGPIJAPQJQQDBR-SFHVURJKSA-N 2 2 315.417 2.052 10 0 DEAELP Cc1oncc1C[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000189658599 145031578 /nfs/dbraw/zinc/03/15/78/145031578.db2.gz OGPIJAPQJQQDBR-SFHVURJKSA-N 2 2 315.417 2.052 10 0 DEAELP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)c2nnnn2C)cc1 ZINC000189858857 145035277 /nfs/dbraw/zinc/03/52/77/145035277.db2.gz NCWMLXFGINZUFK-NWDGAFQWSA-N 2 2 311.393 2.116 10 0 DEAELP CCn1cc([C@@H]2C[N@H+](CCCCn3cc[nH+]c3C)CCO2)cn1 ZINC000190756967 145047895 /nfs/dbraw/zinc/04/78/95/145047895.db2.gz JOAXKTVROYZHKI-KRWDZBQOSA-N 2 2 317.437 2.262 10 0 DEAELP CCn1cc([C@@H]2C[N@@H+](CCCCn3cc[nH+]c3C)CCO2)cn1 ZINC000190756967 145047896 /nfs/dbraw/zinc/04/78/96/145047896.db2.gz JOAXKTVROYZHKI-KRWDZBQOSA-N 2 2 317.437 2.262 10 0 DEAELP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193629624 145087671 /nfs/dbraw/zinc/08/76/71/145087671.db2.gz NTRHOOXXAKYBQM-UPJWGTAASA-N 2 2 307.825 2.160 10 0 DEAELP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193629624 145087672 /nfs/dbraw/zinc/08/76/72/145087672.db2.gz NTRHOOXXAKYBQM-UPJWGTAASA-N 2 2 307.825 2.160 10 0 DEAELP C[C@H](C(=O)Nc1cccc(Cl)c1)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193629624 145087673 /nfs/dbraw/zinc/08/76/73/145087673.db2.gz NTRHOOXXAKYBQM-UPJWGTAASA-N 2 2 307.825 2.160 10 0 DEAELP C[C@H](C(=O)Nc1cccc(Cl)c1)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193629624 145087674 /nfs/dbraw/zinc/08/76/74/145087674.db2.gz NTRHOOXXAKYBQM-UPJWGTAASA-N 2 2 307.825 2.160 10 0 DEAELP Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1 ZINC000193628838 145088272 /nfs/dbraw/zinc/08/82/72/145088272.db2.gz DAWMAXAYSAQURO-HRCADAONSA-N 2 2 301.434 2.124 10 0 DEAELP Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1 ZINC000193628838 145088273 /nfs/dbraw/zinc/08/82/73/145088273.db2.gz DAWMAXAYSAQURO-HRCADAONSA-N 2 2 301.434 2.124 10 0 DEAELP Cc1ccc(C)c(NC(=O)[C@H](C)[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c1 ZINC000193628838 145088274 /nfs/dbraw/zinc/08/82/74/145088274.db2.gz DAWMAXAYSAQURO-HRCADAONSA-N 2 2 301.434 2.124 10 0 DEAELP Cc1ccc(C)c(NC(=O)[C@H](C)[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c1 ZINC000193628838 145088275 /nfs/dbraw/zinc/08/82/75/145088275.db2.gz DAWMAXAYSAQURO-HRCADAONSA-N 2 2 301.434 2.124 10 0 DEAELP CN(C)C(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000248068989 145147388 /nfs/dbraw/zinc/14/73/88/145147388.db2.gz MLAMCWZKUHHNII-ZWKOTPCHSA-N 2 2 315.461 2.061 10 0 DEAELP CN(C)C(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000248068989 145147389 /nfs/dbraw/zinc/14/73/89/145147389.db2.gz MLAMCWZKUHHNII-ZWKOTPCHSA-N 2 2 315.461 2.061 10 0 DEAELP CN(C)C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000248068989 145147390 /nfs/dbraw/zinc/14/73/90/145147390.db2.gz MLAMCWZKUHHNII-ZWKOTPCHSA-N 2 2 315.461 2.061 10 0 DEAELP CN(C)C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000248068989 145147391 /nfs/dbraw/zinc/14/73/91/145147391.db2.gz MLAMCWZKUHHNII-ZWKOTPCHSA-N 2 2 315.461 2.061 10 0 DEAELP Cc1ccccc1CNC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248185754 145149806 /nfs/dbraw/zinc/14/98/06/145149806.db2.gz XICPXWIVNCBVBA-ROUUACIJSA-N 2 2 315.461 2.027 10 0 DEAELP Cc1ccccc1CNC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248185754 145149808 /nfs/dbraw/zinc/14/98/08/145149808.db2.gz XICPXWIVNCBVBA-ROUUACIJSA-N 2 2 315.461 2.027 10 0 DEAELP Cc1ccccc1CNC(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248185754 145149810 /nfs/dbraw/zinc/14/98/10/145149810.db2.gz XICPXWIVNCBVBA-ROUUACIJSA-N 2 2 315.461 2.027 10 0 DEAELP Cc1ccccc1CNC(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248185754 145149811 /nfs/dbraw/zinc/14/98/11/145149811.db2.gz XICPXWIVNCBVBA-ROUUACIJSA-N 2 2 315.461 2.027 10 0 DEAELP C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261715615 145219899 /nfs/dbraw/zinc/21/98/99/145219899.db2.gz MWCLLKUPUMEGMG-XJKSGUPXSA-N 2 2 321.440 2.232 10 0 DEAELP C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261715615 145219900 /nfs/dbraw/zinc/21/99/00/145219900.db2.gz MWCLLKUPUMEGMG-XJKSGUPXSA-N 2 2 321.440 2.232 10 0 DEAELP Cc1ccc2[nH]c(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3COCC[NH2+]3)nc2c1 ZINC000261861097 145234775 /nfs/dbraw/zinc/23/47/75/145234775.db2.gz CEALQCPKNSECCJ-JJRVBVJISA-N 2 2 314.433 2.118 10 0 DEAELP Cc1ccc2nc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3COCC[NH2+]3)[nH]c2c1 ZINC000261861097 145234778 /nfs/dbraw/zinc/23/47/78/145234778.db2.gz CEALQCPKNSECCJ-JJRVBVJISA-N 2 2 314.433 2.118 10 0 DEAELP CCc1ccc(C(=O)N2CC[NH+](C[C@]3(C)CC[NH2+]C3)CC2)cc1 ZINC000261874035 145235991 /nfs/dbraw/zinc/23/59/91/145235991.db2.gz PKMDIDVQFYDBJU-LJQANCHMSA-N 2 2 315.461 2.006 10 0 DEAELP Cc1ccccc1C[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261875544 145236124 /nfs/dbraw/zinc/23/61/24/145236124.db2.gz UBTUEXJYGQYXTF-NVXWUHKLSA-N 2 2 317.477 2.101 10 0 DEAELP Cc1ccccc1C[C@@H](C)NC(=O)C[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261875544 145236125 /nfs/dbraw/zinc/23/61/25/145236125.db2.gz UBTUEXJYGQYXTF-NVXWUHKLSA-N 2 2 317.477 2.101 10 0 DEAELP C[C@]1(C[NH+]2CCN(C(=O)c3cccc(Cl)c3)CC2)CC[NH2+]C1 ZINC000261929163 145243246 /nfs/dbraw/zinc/24/32/46/145243246.db2.gz COXBLQUFPAYCFH-KRWDZBQOSA-N 2 2 321.852 2.097 10 0 DEAELP C[C@H](C[NH3+])C(=O)N1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000262325578 145276560 /nfs/dbraw/zinc/27/65/60/145276560.db2.gz FYEHXLCRVVRZOV-OLZOCXBDSA-N 2 2 309.841 2.140 10 0 DEAELP Brc1cnc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)s1 ZINC000565333704 292154875 /nfs/dbraw/zinc/15/48/75/292154875.db2.gz ZRPORNLWCZYBMK-ZETCQYMHSA-N 2 2 313.224 2.276 10 0 DEAELP Brc1cnc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)s1 ZINC000565333704 292154878 /nfs/dbraw/zinc/15/48/78/292154878.db2.gz ZRPORNLWCZYBMK-ZETCQYMHSA-N 2 2 313.224 2.276 10 0 DEAELP c1ccc2c(c1)CC[C@H](C[N@H+]1CC[C@H](C[NH+]3CCOCC3)C1)C2 ZINC000359576427 147354345 /nfs/dbraw/zinc/35/43/45/147354345.db2.gz AHHHXDHBIMLRPJ-ZWKOTPCHSA-N 2 2 314.473 2.446 10 0 DEAELP c1ccc2c(c1)CC[C@H](C[N@@H+]1CC[C@H](C[NH+]3CCOCC3)C1)C2 ZINC000359576427 147354347 /nfs/dbraw/zinc/35/43/47/147354347.db2.gz AHHHXDHBIMLRPJ-ZWKOTPCHSA-N 2 2 314.473 2.446 10 0 DEAELP c1ccc2c(c1)CC[C@H](C[N@H+]1CC[C@@H](C[NH+]3CCOCC3)C1)C2 ZINC000359576426 147354857 /nfs/dbraw/zinc/35/48/57/147354857.db2.gz AHHHXDHBIMLRPJ-ROUUACIJSA-N 2 2 314.473 2.446 10 0 DEAELP c1ccc2c(c1)CC[C@H](C[N@@H+]1CC[C@@H](C[NH+]3CCOCC3)C1)C2 ZINC000359576426 147354859 /nfs/dbraw/zinc/35/48/59/147354859.db2.gz AHHHXDHBIMLRPJ-ROUUACIJSA-N 2 2 314.473 2.446 10 0 DEAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccoc3C3CC3)C2)CC1 ZINC000374226548 148220048 /nfs/dbraw/zinc/22/00/48/148220048.db2.gz AZNCFJZTSAEESG-AWEZNQCLSA-N 2 2 317.433 2.055 10 0 DEAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccoc3C3CC3)C2)CC1 ZINC000374226548 148220050 /nfs/dbraw/zinc/22/00/50/148220050.db2.gz AZNCFJZTSAEESG-AWEZNQCLSA-N 2 2 317.433 2.055 10 0 DEAELP C[NH+]1CCC(CNC(=O)NCC2CCC2)([NH+]2CCCCC2)CC1 ZINC000073746927 401721453 /nfs/dbraw/zinc/72/14/53/401721453.db2.gz AQQGSIYUXRJKJV-UHFFFAOYSA-N 2 2 322.497 2.036 10 0 DEAELP CC(C)Cn1cc[nH+]c1CNC(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000073774384 401721563 /nfs/dbraw/zinc/72/15/63/401721563.db2.gz XDUNTSBWQQAAQB-HNNXBMFYSA-N 2 2 321.469 2.070 10 0 DEAELP C[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000130034723 401815937 /nfs/dbraw/zinc/81/59/37/401815937.db2.gz ASNVWYRAHLZSNY-HUUCEWRRSA-N 2 2 311.470 2.317 10 0 DEAELP C[N@H+]1CCC[C@@H]1C[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000130034723 401815939 /nfs/dbraw/zinc/81/59/39/401815939.db2.gz ASNVWYRAHLZSNY-HUUCEWRRSA-N 2 2 311.470 2.317 10 0 DEAELP Cc1ccc(C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)o1 ZINC000121201433 402019833 /nfs/dbraw/zinc/01/98/33/402019833.db2.gz OCQHEIGESHXDQN-UHFFFAOYSA-N 2 2 302.422 2.381 10 0 DEAELP Cc1ccc(C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)o1 ZINC000121201433 402019835 /nfs/dbraw/zinc/01/98/35/402019835.db2.gz OCQHEIGESHXDQN-UHFFFAOYSA-N 2 2 302.422 2.381 10 0 DEAELP CC(C)[C@H]1C[C@H]1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000185535940 402359623 /nfs/dbraw/zinc/35/96/23/402359623.db2.gz ZRTGONQZFUVGKD-IAGOWNOFSA-N 2 2 321.509 2.345 10 0 DEAELP COc1cc(F)ccc1N1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000163026148 402439342 /nfs/dbraw/zinc/43/93/42/402439342.db2.gz PVUJIYMISYTWLU-INIZCTEOSA-N 2 2 321.440 2.441 10 0 DEAELP COc1cc(F)ccc1N1CC[NH+](CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000163026148 402439344 /nfs/dbraw/zinc/43/93/44/402439344.db2.gz PVUJIYMISYTWLU-INIZCTEOSA-N 2 2 321.440 2.441 10 0 DEAELP Cc1nn(C)c2ncc(C[N@@H+]3CCC[C@@H]3Cn3cc[nH+]c3C)cc12 ZINC000178303539 402481885 /nfs/dbraw/zinc/48/18/85/402481885.db2.gz XWWXDJQWFVOTEC-MRXNPFEDSA-N 2 2 324.432 2.446 10 0 DEAELP Cc1nn(C)c2ncc(C[N@H+]3CCC[C@@H]3Cn3cc[nH+]c3C)cc12 ZINC000178303539 402481890 /nfs/dbraw/zinc/48/18/90/402481890.db2.gz XWWXDJQWFVOTEC-MRXNPFEDSA-N 2 2 324.432 2.446 10 0 DEAELP C([NH2+][C@@H]1C[C@H]2OCCC[C@H]12)C1(C[NH+]2CCOCC2)CCCCC1 ZINC000187285787 402491670 /nfs/dbraw/zinc/49/16/70/402491670.db2.gz LPAVMJWJDIKSOE-KZNAEPCWSA-N 2 2 322.493 2.426 10 0 DEAELP Cc1[nH+]ccn1CCCC[NH+]1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000179039995 402567320 /nfs/dbraw/zinc/56/73/20/402567320.db2.gz RCCTWSFOIOKCJE-INIZCTEOSA-N 3 2 320.481 2.157 10 0 DEAELP Cc1[nH+]ccn1CCCC[NH+]1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000179039995 402567322 /nfs/dbraw/zinc/56/73/22/402567322.db2.gz RCCTWSFOIOKCJE-INIZCTEOSA-N 3 2 320.481 2.157 10 0 DEAELP CC(C)[N@@H+]1C[C@@H](C)[C@H]([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000246274658 402522803 /nfs/dbraw/zinc/52/28/03/402522803.db2.gz SEQKASPNFKEMHG-QLFBSQMISA-N 2 2 311.470 2.314 10 0 DEAELP CC(C)[N@H+]1C[C@@H](C)[C@H]([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000246274658 402522805 /nfs/dbraw/zinc/52/28/05/402522805.db2.gz SEQKASPNFKEMHG-QLFBSQMISA-N 2 2 311.470 2.314 10 0 DEAELP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCn3cc[nH+]c32)C1 ZINC000246351033 402526584 /nfs/dbraw/zinc/52/65/84/402526584.db2.gz FPUHZZYHFJAJHQ-CVEARBPZSA-N 2 2 318.465 2.245 10 0 DEAELP CC(C)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCn3cc[nH+]c32)C1 ZINC000246351033 402526587 /nfs/dbraw/zinc/52/65/87/402526587.db2.gz FPUHZZYHFJAJHQ-CVEARBPZSA-N 2 2 318.465 2.245 10 0 DEAELP O[C@H](C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)C(F)(F)F ZINC000248602171 402597871 /nfs/dbraw/zinc/59/78/71/402597871.db2.gz VJCQORFAGLHTQF-UONOGXRCSA-N 2 2 308.388 2.498 10 0 DEAELP O[C@H](C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)C(F)(F)F ZINC000248602171 402597873 /nfs/dbraw/zinc/59/78/73/402597873.db2.gz VJCQORFAGLHTQF-UONOGXRCSA-N 2 2 308.388 2.498 10 0 DEAELP C[C@@H]([NH2+]CC(=O)NCC1CCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180662394 402622806 /nfs/dbraw/zinc/62/28/06/402622806.db2.gz FAMNNMCVIFVUOQ-CQSZACIVSA-N 2 2 312.417 2.439 10 0 DEAELP C[N@@H+](CC(=O)Nc1cc(F)cc(F)c1)C[C@H]1CCC[NH+](C)C1 ZINC000172584243 402664427 /nfs/dbraw/zinc/66/44/27/402664427.db2.gz FVVYAPDMTDQMLC-LBPRGKRZSA-N 2 2 311.376 2.177 10 0 DEAELP C[N@H+](CC(=O)Nc1cc(F)cc(F)c1)C[C@H]1CCC[NH+](C)C1 ZINC000172584243 402664428 /nfs/dbraw/zinc/66/44/28/402664428.db2.gz FVVYAPDMTDQMLC-LBPRGKRZSA-N 2 2 311.376 2.177 10 0 DEAELP C[NH+](CC(=O)Nc1cc(F)cc(F)c1)C[C@H]1CCC[N@H+](C)C1 ZINC000172584243 402664429 /nfs/dbraw/zinc/66/44/29/402664429.db2.gz FVVYAPDMTDQMLC-LBPRGKRZSA-N 2 2 311.376 2.177 10 0 DEAELP C[NH+](CC(=O)Nc1cc(F)cc(F)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000172584243 402664430 /nfs/dbraw/zinc/66/44/30/402664430.db2.gz FVVYAPDMTDQMLC-LBPRGKRZSA-N 2 2 311.376 2.177 10 0 DEAELP CC(C)[NH2+]CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000191611963 402681864 /nfs/dbraw/zinc/68/18/64/402681864.db2.gz LGOKTIFZCIHUJQ-ZNMIVQPWSA-N 2 2 311.470 2.220 10 0 DEAELP CC(C)[NH2+]CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000191611963 402681867 /nfs/dbraw/zinc/68/18/67/402681867.db2.gz LGOKTIFZCIHUJQ-ZNMIVQPWSA-N 2 2 311.470 2.220 10 0 DEAELP Cc1ccccc1CN(C)C(=O)[C@H](C)[NH+]1CCC([NH+](C)C)CC1 ZINC000175086843 402778111 /nfs/dbraw/zinc/77/81/11/402778111.db2.gz AKTRDLGTRIBTMG-INIZCTEOSA-N 2 2 317.477 2.368 10 0 DEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000175477733 402810164 /nfs/dbraw/zinc/81/01/64/402810164.db2.gz KTJSRKMMRZWZNK-HUUCEWRRSA-N 2 2 321.469 2.163 10 0 DEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000175477733 402810165 /nfs/dbraw/zinc/81/01/65/402810165.db2.gz KTJSRKMMRZWZNK-HUUCEWRRSA-N 2 2 321.469 2.163 10 0 DEAELP Cc1noc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000282040557 403115945 /nfs/dbraw/zinc/11/59/45/403115945.db2.gz LLJNOMZLBPPHJL-CYBMUJFWSA-N 2 2 301.394 2.290 10 0 DEAELP Cc1noc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000282040557 403115948 /nfs/dbraw/zinc/11/59/48/403115948.db2.gz LLJNOMZLBPPHJL-CYBMUJFWSA-N 2 2 301.394 2.290 10 0 DEAELP CC(=O)c1ccccc1OCC[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292187682 403315343 /nfs/dbraw/zinc/31/53/43/403315343.db2.gz RDPKAJIKJQNBAK-GOSISDBHSA-N 2 2 302.418 2.296 10 0 DEAELP CC(=O)c1ccccc1OCC[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292187682 403315347 /nfs/dbraw/zinc/31/53/47/403315347.db2.gz RDPKAJIKJQNBAK-GOSISDBHSA-N 2 2 302.418 2.296 10 0 DEAELP CC(=O)c1ccccc1OCC[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292187682 403315351 /nfs/dbraw/zinc/31/53/51/403315351.db2.gz RDPKAJIKJQNBAK-GOSISDBHSA-N 2 2 302.418 2.296 10 0 DEAELP CC(=O)c1ccccc1OCC[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292187682 403315354 /nfs/dbraw/zinc/31/53/54/403315354.db2.gz RDPKAJIKJQNBAK-GOSISDBHSA-N 2 2 302.418 2.296 10 0 DEAELP CCC(C)(C)CC[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000435053856 404954051 /nfs/dbraw/zinc/95/40/51/404954051.db2.gz WYVFQGQKSOBSOS-UHFFFAOYSA-N 2 2 305.470 2.491 10 0 DEAELP CC(C)[N@@H+]1CC[C@@H](CNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC000531501553 405968164 /nfs/dbraw/zinc/96/81/64/405968164.db2.gz YBIOKVYAMJCPKU-AWEZNQCLSA-N 2 2 319.453 2.029 10 0 DEAELP CC(C)[N@H+]1CC[C@@H](CNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC000531501553 405968168 /nfs/dbraw/zinc/96/81/68/405968168.db2.gz YBIOKVYAMJCPKU-AWEZNQCLSA-N 2 2 319.453 2.029 10 0 DEAELP COc1ccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1Br ZINC000635000708 406393086 /nfs/dbraw/zinc/39/30/86/406393086.db2.gz UDQZDKUOMCVWHT-ZYHUDNBSSA-N 2 2 313.239 2.484 10 0 DEAELP COc1ccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1Br ZINC000635000708 406393090 /nfs/dbraw/zinc/39/30/90/406393090.db2.gz UDQZDKUOMCVWHT-ZYHUDNBSSA-N 2 2 313.239 2.484 10 0 DEAELP CNc1nc(N[C@@H](C)C[NH+]2CCCC2)c(Br)c[nH+]1 ZINC000130870375 196119124 /nfs/dbraw/zinc/11/91/24/196119124.db2.gz GFELTCNKRLHWRG-VIFPVBQESA-N 2 2 314.231 2.177 10 0 DEAELP C[N@@H+](Cc1ccc(F)c(Br)c1)C[C@H]1C[NH2+]CCO1 ZINC000131057961 196135502 /nfs/dbraw/zinc/13/55/02/196135502.db2.gz FDFXEFBJZMGRDW-LLVKDONJSA-N 2 2 317.202 2.008 10 0 DEAELP C[N@H+](Cc1ccc(F)c(Br)c1)C[C@H]1C[NH2+]CCO1 ZINC000131057961 196135504 /nfs/dbraw/zinc/13/55/04/196135504.db2.gz FDFXEFBJZMGRDW-LLVKDONJSA-N 2 2 317.202 2.008 10 0 DEAELP C[N@@H+](Cc1ccc(F)c(Br)c1)C[C@@H]1C[NH2+]CCO1 ZINC000131057712 196135852 /nfs/dbraw/zinc/13/58/52/196135852.db2.gz FDFXEFBJZMGRDW-NSHDSACASA-N 2 2 317.202 2.008 10 0 DEAELP C[N@H+](Cc1ccc(F)c(Br)c1)C[C@@H]1C[NH2+]CCO1 ZINC000131057712 196135854 /nfs/dbraw/zinc/13/58/54/196135854.db2.gz FDFXEFBJZMGRDW-NSHDSACASA-N 2 2 317.202 2.008 10 0 DEAELP c1ccc(-c2noc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)n2)nc1 ZINC000391115443 424918385 /nfs/dbraw/zinc/91/83/85/424918385.db2.gz GZVMVTXWWFARDE-UONOGXRCSA-N 2 2 313.405 2.096 10 0 DEAELP c1ccc(-c2noc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)n2)nc1 ZINC000391115443 424918386 /nfs/dbraw/zinc/91/83/86/424918386.db2.gz GZVMVTXWWFARDE-UONOGXRCSA-N 2 2 313.405 2.096 10 0 DEAELP c1ccc(-c2noc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)n2)nc1 ZINC000391115438 424918783 /nfs/dbraw/zinc/91/87/83/424918783.db2.gz GZVMVTXWWFARDE-KBPBESRZSA-N 2 2 313.405 2.096 10 0 DEAELP c1ccc(-c2noc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)n2)nc1 ZINC000391115438 424918785 /nfs/dbraw/zinc/91/87/85/424918785.db2.gz GZVMVTXWWFARDE-KBPBESRZSA-N 2 2 313.405 2.096 10 0 DEAELP COC[C@H](CCC[NH3+])[NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000397940662 269107290 /nfs/dbraw/zinc/10/72/90/269107290.db2.gz ZOGSTZICUPKEQX-RBUKOAKNSA-N 3 2 319.493 2.385 10 0 DEAELP COC[C@H](CCC[NH3+])[NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000397940662 269107292 /nfs/dbraw/zinc/10/72/92/269107292.db2.gz ZOGSTZICUPKEQX-RBUKOAKNSA-N 3 2 319.493 2.385 10 0 DEAELP Cc1[nH+]cc(C[NH2+]CC[C@@H](C)[S@](C)=O)n1-c1ccccc1 ZINC000129317700 281909377 /nfs/dbraw/zinc/90/93/77/281909377.db2.gz GMESAEGRBBTVBC-LRTDBIEQSA-N 2 2 305.447 2.427 10 0 DEAELP CC1(C)C[N@H+](CC(=O)Nc2ccc3c(c2)CCC3)CC[C@H]1[NH3+] ZINC000262563619 535354394 /nfs/dbraw/zinc/35/43/94/535354394.db2.gz WEEPUUXDJFQEIN-MRXNPFEDSA-N 2 2 301.434 2.173 10 0 DEAELP CC1(C)C[N@@H+](CC(=O)Nc2ccc3c(c2)CCC3)CC[C@H]1[NH3+] ZINC000262563619 535354398 /nfs/dbraw/zinc/35/43/98/535354398.db2.gz WEEPUUXDJFQEIN-MRXNPFEDSA-N 2 2 301.434 2.173 10 0 DEAELP COc1ccc(Br)cc1C[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000358102839 536639746 /nfs/dbraw/zinc/63/97/46/536639746.db2.gz WRPPZHVEQMKRMW-MFKMUULPSA-N 2 2 313.239 2.497 10 0 DEAELP COc1ccc(Br)cc1C[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000358102839 536639749 /nfs/dbraw/zinc/63/97/49/536639749.db2.gz WRPPZHVEQMKRMW-MFKMUULPSA-N 2 2 313.239 2.497 10 0 DEAELP C[C@H](CNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)[NH+]1CCCCC1 ZINC000726708611 636457014 /nfs/dbraw/zinc/45/70/14/636457014.db2.gz OVMROEZNXVOCOQ-CQSZACIVSA-N 2 2 319.453 2.173 10 0 DEAELP FC1(F)CC[NH2+]C[C@H]1C[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000717308422 799377224 /nfs/dbraw/zinc/37/72/24/799377224.db2.gz UGTHERDPRPARLR-INIZCTEOSA-N 2 2 320.387 2.266 10 0 DEAELP C[C@@H]1C[C@H]([NH2+]CC[NH+]2CCCC2)CN(C(=O)OC(C)(C)C)C1 ZINC000401719630 801844944 /nfs/dbraw/zinc/84/49/44/801844944.db2.gz MVVJIWABFBIGBD-CABCVRRESA-N 2 2 311.470 2.317 10 0 DEAELP C[C@@H]1[C@@H]([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CO[C@H]1C ZINC000405565020 802072300 /nfs/dbraw/zinc/07/23/00/802072300.db2.gz VBDYLLQEPHKUMY-CAMMJAKZSA-N 2 2 318.461 2.291 10 0 DEAELP C[C@@H]1[C@@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CO[C@H]1C ZINC000405565020 802072308 /nfs/dbraw/zinc/07/23/08/802072308.db2.gz VBDYLLQEPHKUMY-CAMMJAKZSA-N 2 2 318.461 2.291 10 0 DEAELP COc1ccc(Br)cc1C[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000358102836 536638799 /nfs/dbraw/zinc/63/87/99/536638799.db2.gz WRPPZHVEQMKRMW-GXFFZTMASA-N 2 2 313.239 2.497 10 0 DEAELP COc1ccc(Br)cc1C[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000358102836 536638804 /nfs/dbraw/zinc/63/88/04/536638804.db2.gz WRPPZHVEQMKRMW-GXFFZTMASA-N 2 2 313.239 2.497 10 0 DEAELP C[C@@H](CCCO)[NH2+][C@@H](C[NH3+])c1cc(Br)cs1 ZINC000087359039 185222543 /nfs/dbraw/zinc/22/25/43/185222543.db2.gz DEIVRAXOCALZIV-WPRPVWTQSA-N 2 2 307.257 2.261 10 0 DEAELP Cc1ccc(NC(=O)C[N@H+]2C[C@@H]3C[NH2+]C[C@@H]3[C@@H]2C)cc1Cl ZINC000090327378 185291233 /nfs/dbraw/zinc/29/12/33/185291233.db2.gz RXTDDEZGDYCXSL-SGMGOOAPSA-N 2 2 307.825 2.127 10 0 DEAELP Cc1ccc(NC(=O)C[N@@H+]2C[C@@H]3C[NH2+]C[C@@H]3[C@@H]2C)cc1Cl ZINC000090327378 185291234 /nfs/dbraw/zinc/29/12/34/185291234.db2.gz RXTDDEZGDYCXSL-SGMGOOAPSA-N 2 2 307.825 2.127 10 0 DEAELP CC1(C)[C@H]2C[NH2+]C[C@@H]2C[N@@H+]1Cc1cn2cc(Cl)ccc2n1 ZINC000090337653 185291999 /nfs/dbraw/zinc/29/19/99/185291999.db2.gz HVXQVGLXFQKRIY-RISCZKNCSA-N 2 2 304.825 2.418 10 0 DEAELP CC1(C)[C@H]2C[NH2+]C[C@@H]2C[N@H+]1Cc1cn2cc(Cl)ccc2n1 ZINC000090337653 185292000 /nfs/dbraw/zinc/29/20/00/185292000.db2.gz HVXQVGLXFQKRIY-RISCZKNCSA-N 2 2 304.825 2.418 10 0 DEAELP C[NH2+][C@H]1C(=O)Nc2cc(-n3cc[nH+]c3C)c(Br)cc21 ZINC000092776143 185339767 /nfs/dbraw/zinc/33/97/67/185339767.db2.gz KOBQMHMYGIOWKM-GFCCVEGCSA-N 2 2 321.178 2.156 10 0 DEAELP CCC[NH2+]CC(CC)(CC)C[N@@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000163923177 186142367 /nfs/dbraw/zinc/14/23/67/186142367.db2.gz ULVPDXVCEWLIGD-HNNXBMFYSA-N 2 2 300.487 2.264 10 0 DEAELP CCC[NH2+]CC(CC)(CC)C[N@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000163923177 186142370 /nfs/dbraw/zinc/14/23/70/186142370.db2.gz ULVPDXVCEWLIGD-HNNXBMFYSA-N 2 2 300.487 2.264 10 0 DEAELP COc1ccc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)cc1OC ZINC000173345786 186179023 /nfs/dbraw/zinc/17/90/23/186179023.db2.gz UGCBUXUDWCQYJT-HOCLYGCPSA-N 2 2 322.449 2.201 10 0 DEAELP C[C@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C[C@@H]1n1cc[nH+]c1 ZINC000183904205 186229160 /nfs/dbraw/zinc/22/91/60/186229160.db2.gz GSGKCQJLGWXWQX-BBRMVZONSA-N 2 2 313.405 2.067 10 0 DEAELP C[C@@H]([NH2+]CC1([NH+](C)C)CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400512740 283158259 /nfs/dbraw/zinc/15/82/59/283158259.db2.gz MAFNHFLMXBKEDH-ZIAGYGMSSA-N 2 2 311.470 2.316 10 0 DEAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000400808104 283158925 /nfs/dbraw/zinc/15/89/25/283158925.db2.gz WZXRKPQNJFPJFP-SOUVJXGZSA-N 2 2 311.470 2.458 10 0 DEAELP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000400808104 283158928 /nfs/dbraw/zinc/15/89/28/283158928.db2.gz WZXRKPQNJFPJFP-SOUVJXGZSA-N 2 2 311.470 2.458 10 0 DEAELP C[C@H]([NH2+][C@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400394486 283156729 /nfs/dbraw/zinc/15/67/29/283156729.db2.gz JBZZOUQNXOVYLT-ZNMIVQPWSA-N 2 2 323.481 2.458 10 0 DEAELP C[C@H]([NH2+][C@H]1CC[N@H+](C2CC2)C1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400394486 283156732 /nfs/dbraw/zinc/15/67/32/283156732.db2.gz JBZZOUQNXOVYLT-ZNMIVQPWSA-N 2 2 323.481 2.458 10 0 DEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1nnc(C(C)C)n1C ZINC000178324276 198849626 /nfs/dbraw/zinc/84/96/26/198849626.db2.gz IVMALLUHRFBFEB-AWEZNQCLSA-N 2 2 302.426 2.108 10 0 DEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1nnc(C(C)C)n1C ZINC000178324276 198849627 /nfs/dbraw/zinc/84/96/27/198849627.db2.gz IVMALLUHRFBFEB-AWEZNQCLSA-N 2 2 302.426 2.108 10 0 DEAELP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccccc1N(C)C ZINC000179403661 199029381 /nfs/dbraw/zinc/02/93/81/199029381.db2.gz SPOKPVFTGUVNMX-HOTGVXAUSA-N 2 2 305.466 2.250 10 0 DEAELP CCOCC[N@@H+]1CCN(Cc2cccc3[nH+]ccn32)C[C@@H]1CC ZINC000180087667 199115997 /nfs/dbraw/zinc/11/59/97/199115997.db2.gz UJKOURNXIWGTGI-INIZCTEOSA-N 2 2 316.449 2.267 10 0 DEAELP CCOCC[N@H+]1CCN(Cc2cccc3[nH+]ccn32)C[C@@H]1CC ZINC000180087667 199115998 /nfs/dbraw/zinc/11/59/98/199115998.db2.gz UJKOURNXIWGTGI-INIZCTEOSA-N 2 2 316.449 2.267 10 0 DEAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)c2ccco2)nc[nH+]1 ZINC000180574769 199178678 /nfs/dbraw/zinc/17/86/78/199178678.db2.gz GDSMTAPEGZDSIR-OLZOCXBDSA-N 2 2 301.394 2.431 10 0 DEAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2ccco2)nc[nH+]1 ZINC000180574786 199178835 /nfs/dbraw/zinc/17/88/35/199178835.db2.gz GDSMTAPEGZDSIR-QWHCGFSZSA-N 2 2 301.394 2.431 10 0 DEAELP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000189083478 200346057 /nfs/dbraw/zinc/34/60/57/200346057.db2.gz MCVQKHMNYJSESL-KRWDZBQOSA-N 2 2 302.397 2.254 10 0 DEAELP C[N@H+]1CCC[C@H]1C[NH2+]Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000189083478 200346059 /nfs/dbraw/zinc/34/60/59/200346059.db2.gz MCVQKHMNYJSESL-KRWDZBQOSA-N 2 2 302.397 2.254 10 0 DEAELP C[N@H+](CCNC(=O)Nc1ccc2[nH+]ccn2c1)C1CCCC1 ZINC000606580213 361021837 /nfs/dbraw/zinc/02/18/37/361021837.db2.gz FHQQENUKIAKNAO-UHFFFAOYSA-N 2 2 301.394 2.330 10 0 DEAELP C[N@@H+](CCNC(=O)Nc1ccc2[nH+]ccn2c1)C1CCCC1 ZINC000606580213 361021841 /nfs/dbraw/zinc/02/18/41/361021841.db2.gz FHQQENUKIAKNAO-UHFFFAOYSA-N 2 2 301.394 2.330 10 0 DEAELP O=C(Nc1ccc2[nH+]ccn2c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000606582235 361023039 /nfs/dbraw/zinc/02/30/39/361023039.db2.gz HVXITXOQXLGVBI-UHFFFAOYSA-N 2 2 322.372 2.083 10 0 DEAELP COC(=O)C(C)(C)[C@H]([NH2+]CCn1cc[nH+]c1)c1ccccc1 ZINC000611405440 361593358 /nfs/dbraw/zinc/59/33/58/361593358.db2.gz DQWMUMULKYHUEJ-OAHLLOKOSA-N 2 2 301.390 2.413 10 0 DEAELP CCC(CC)([C@@H](CCCS(C)(=O)=O)[NH2+]C)[NH+]1CCCC1 ZINC000091635238 193082518 /nfs/dbraw/zinc/08/25/18/193082518.db2.gz WGEHBTPSXYMRJC-CQSZACIVSA-N 2 2 304.500 2.054 10 0 DEAELP c1c(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)nnn1CC1CC1 ZINC000450605018 242007859 /nfs/dbraw/zinc/00/78/59/242007859.db2.gz YDAHVZBHLBPXMF-CRAIPNDOSA-N 2 2 315.465 2.137 10 0 DEAELP c1c(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)nnn1CC1CC1 ZINC000450605018 242007869 /nfs/dbraw/zinc/00/78/69/242007869.db2.gz YDAHVZBHLBPXMF-CRAIPNDOSA-N 2 2 315.465 2.137 10 0 DEAELP c1c(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)nnn1CC1CC1 ZINC000450605018 242007878 /nfs/dbraw/zinc/00/78/78/242007878.db2.gz YDAHVZBHLBPXMF-CRAIPNDOSA-N 2 2 315.465 2.137 10 0 DEAELP c1c(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)nnn1CC1CC1 ZINC000450605018 242007886 /nfs/dbraw/zinc/00/78/86/242007886.db2.gz YDAHVZBHLBPXMF-CRAIPNDOSA-N 2 2 315.465 2.137 10 0 DEAELP Cn1c[nH+]cc1[C@@H]1CNC(=[NH2+])N1c1ccccc1Br ZINC000093382749 193240442 /nfs/dbraw/zinc/24/04/42/193240442.db2.gz UJGFJDPPTZXOAN-LBPRGKRZSA-N 2 2 320.194 2.268 10 0 DEAELP C[NH2+][C@H](c1ccc(Cl)c(OC)c1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000094009079 193338470 /nfs/dbraw/zinc/33/84/70/193338470.db2.gz MQQHZLQQZGIFDK-UHOFOFEASA-N 2 2 310.825 2.472 10 0 DEAELP C[NH2+][C@H](c1ccc(Cl)c(OC)c1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000094009079 193338472 /nfs/dbraw/zinc/33/84/72/193338472.db2.gz MQQHZLQQZGIFDK-UHOFOFEASA-N 2 2 310.825 2.472 10 0 DEAELP CC[NH2+][C@@H](Cc1ccncc1Cl)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC000093927573 193329493 /nfs/dbraw/zinc/32/94/93/193329493.db2.gz RFDFYICFPMLXFY-HOTGVXAUSA-N 2 2 311.857 2.365 10 0 DEAELP CC[NH2+][C@@H](Cc1ccncc1Cl)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC000093927573 193329495 /nfs/dbraw/zinc/32/94/95/193329495.db2.gz RFDFYICFPMLXFY-HOTGVXAUSA-N 2 2 311.857 2.365 10 0 DEAELP COc1ccc(C[N@H+](C)CCn2cc[nH+]c2C)c(OC)c1OC ZINC000020600735 182236203 /nfs/dbraw/zinc/23/62/03/182236203.db2.gz LIBUJPCJFAAQCK-UHFFFAOYSA-N 2 2 319.405 2.349 10 0 DEAELP COc1ccc(C[N@@H+](C)CCn2cc[nH+]c2C)c(OC)c1OC ZINC000020600735 182236207 /nfs/dbraw/zinc/23/62/07/182236207.db2.gz LIBUJPCJFAAQCK-UHFFFAOYSA-N 2 2 319.405 2.349 10 0 DEAELP CC[C@@H]([NH3+])[C@@H](c1sccc1C)[NH+]1CCC(C(=O)NC)CC1 ZINC000043248019 183346808 /nfs/dbraw/zinc/34/68/08/183346808.db2.gz MUXSEORDHDVPIF-KGLIPLIRSA-N 2 2 309.479 2.293 10 0 DEAELP C[N@@H+](Cc1cc(F)cc(C(F)(F)F)c1)C[C@@H]1C[NH2+]CCO1 ZINC000159325568 197345996 /nfs/dbraw/zinc/34/59/96/197345996.db2.gz ZIQKDYBRADNTOH-ZDUSSCGKSA-N 2 2 306.303 2.265 10 0 DEAELP C[N@H+](Cc1cc(F)cc(C(F)(F)F)c1)C[C@@H]1C[NH2+]CCO1 ZINC000159325568 197345998 /nfs/dbraw/zinc/34/59/98/197345998.db2.gz ZIQKDYBRADNTOH-ZDUSSCGKSA-N 2 2 306.303 2.265 10 0 DEAELP C[NH2+][C@@H](C)c1cccc(S(=O)(=O)Nc2cc[nH+]cc2C)c1 ZINC000111043901 194385919 /nfs/dbraw/zinc/38/59/19/194385919.db2.gz JRFHBMNAULXDQE-LBPRGKRZSA-N 2 2 305.403 2.471 10 0 DEAELP C[NH2+]CC1CC[NH+](CC(=O)Nc2ccc(Cl)cc2F)CC1 ZINC000063165988 184275432 /nfs/dbraw/zinc/27/54/32/184275432.db2.gz ZFJZGPNVYGGXED-UHFFFAOYSA-N 2 2 313.804 2.349 10 0 DEAELP Cc1cc(NC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)cc[nH+]1 ZINC000119818457 195042561 /nfs/dbraw/zinc/04/25/61/195042561.db2.gz ZTDBPMAWSMEWIK-INIZCTEOSA-N 2 2 318.421 2.109 10 0 DEAELP c1cn(CCC[N@@H+]2CCO[C@H](COc3ccccc3)C2)c[nH+]1 ZINC000361990024 133204018 /nfs/dbraw/zinc/20/40/18/133204018.db2.gz ZLUSWLSPXMMRTB-KRWDZBQOSA-N 2 2 301.390 2.053 10 0 DEAELP c1cn(CCC[N@H+]2CCO[C@H](COc3ccccc3)C2)c[nH+]1 ZINC000361990024 133204019 /nfs/dbraw/zinc/20/40/19/133204019.db2.gz ZLUSWLSPXMMRTB-KRWDZBQOSA-N 2 2 301.390 2.053 10 0 DEAELP Cc1cc(=O)[nH]c([C@@H](C)[NH+]2CCC(Cc3[nH+]ccn3C)CC2)n1 ZINC000192576839 145075364 /nfs/dbraw/zinc/07/53/64/145075364.db2.gz SURPQNGIYDFFJF-CYBMUJFWSA-N 2 2 315.421 2.240 10 0 DEAELP Cc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c(C)c1 ZINC000193649476 145088704 /nfs/dbraw/zinc/08/87/04/145088704.db2.gz GOIKZYSTJDPYAA-HRCADAONSA-N 2 2 301.434 2.124 10 0 DEAELP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c(C)c1 ZINC000193649476 145088705 /nfs/dbraw/zinc/08/87/05/145088705.db2.gz GOIKZYSTJDPYAA-HRCADAONSA-N 2 2 301.434 2.124 10 0 DEAELP Cc1ccc(NC(=O)[C@H](C)[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c(C)c1 ZINC000193649476 145088706 /nfs/dbraw/zinc/08/87/06/145088706.db2.gz GOIKZYSTJDPYAA-HRCADAONSA-N 2 2 301.434 2.124 10 0 DEAELP Cc1ccc(NC(=O)[C@H](C)[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c(C)c1 ZINC000193649476 145088707 /nfs/dbraw/zinc/08/87/07/145088707.db2.gz GOIKZYSTJDPYAA-HRCADAONSA-N 2 2 301.434 2.124 10 0 DEAELP C[C@H]1Cc2ccccc2N1C(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000246506562 145104839 /nfs/dbraw/zinc/10/48/39/145104839.db2.gz BCNAIDVRHUTDLK-VYDXJSESSA-N 2 2 315.461 2.379 10 0 DEAELP C[C@H]1Cc2ccccc2N1C(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000246506562 145104841 /nfs/dbraw/zinc/10/48/41/145104841.db2.gz BCNAIDVRHUTDLK-VYDXJSESSA-N 2 2 315.461 2.379 10 0 DEAELP C[C@H]1Cc2ccccc2N1C(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000246506562 145104843 /nfs/dbraw/zinc/10/48/43/145104843.db2.gz BCNAIDVRHUTDLK-VYDXJSESSA-N 2 2 315.461 2.379 10 0 DEAELP C[C@H]1Cc2ccccc2N1C(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000246506562 145104845 /nfs/dbraw/zinc/10/48/45/145104845.db2.gz BCNAIDVRHUTDLK-VYDXJSESSA-N 2 2 315.461 2.379 10 0 DEAELP CCOCC[N@@H+]1CCN(c2cc(C)[nH+]c(C3CC3)n2)C[C@H]1C ZINC000247061946 145125250 /nfs/dbraw/zinc/12/52/50/145125250.db2.gz PFDAPTFZOVDTCU-CQSZACIVSA-N 2 2 304.438 2.209 10 0 DEAELP CCOCC[N@H+]1CCN(c2cc(C)[nH+]c(C3CC3)n2)C[C@H]1C ZINC000247061946 145125251 /nfs/dbraw/zinc/12/52/51/145125251.db2.gz PFDAPTFZOVDTCU-CQSZACIVSA-N 2 2 304.438 2.209 10 0 DEAELP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)[C@H]1CCOC1 ZINC000247942453 145145729 /nfs/dbraw/zinc/14/57/29/145145729.db2.gz DCPVNGSCYHXZBI-CVYDXHPNSA-N 2 2 303.450 2.307 10 0 DEAELP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)[C@H]1CCOC1 ZINC000247942453 145145730 /nfs/dbraw/zinc/14/57/30/145145730.db2.gz DCPVNGSCYHXZBI-CVYDXHPNSA-N 2 2 303.450 2.307 10 0 DEAELP C[C@@H](C(=O)N(C)Cc1ccccc1)[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261612613 145210532 /nfs/dbraw/zinc/21/05/32/145210532.db2.gz CIGDZHVUPPFWRH-HOCLYGCPSA-N 2 2 303.450 2.093 10 0 DEAELP C[C@@H](C(=O)N(C)Cc1ccccc1)[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261612613 145210533 /nfs/dbraw/zinc/21/05/33/145210533.db2.gz CIGDZHVUPPFWRH-HOCLYGCPSA-N 2 2 303.450 2.093 10 0 DEAELP CCC[N@H+](Cc1noc(C[NH3+])n1)[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000261621925 145211058 /nfs/dbraw/zinc/21/10/58/145211058.db2.gz DCYHAGILTKAOTF-UONOGXRCSA-N 2 2 322.453 2.478 10 0 DEAELP CCC[N@@H+](Cc1noc(C[NH3+])n1)[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000261621925 145211060 /nfs/dbraw/zinc/21/10/60/145211060.db2.gz DCYHAGILTKAOTF-UONOGXRCSA-N 2 2 322.453 2.478 10 0 DEAELP C[C@H]([NH3+])CC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000261900074 145239817 /nfs/dbraw/zinc/23/98/17/145239817.db2.gz YTWSJJUQZMHAPY-JBCWJZNQSA-N 2 2 313.804 2.078 10 0 DEAELP C[C@H]([NH3+])CC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000261900074 145239818 /nfs/dbraw/zinc/23/98/18/145239818.db2.gz YTWSJJUQZMHAPY-JBCWJZNQSA-N 2 2 313.804 2.078 10 0 DEAELP C[NH2+]C1CC[NH+](Cc2cnn(Cc3ccc(F)cc3)c2)CC1 ZINC000261936926 145244332 /nfs/dbraw/zinc/24/43/32/145244332.db2.gz MCXYWPCMOOHJPB-UHFFFAOYSA-N 2 2 302.397 2.254 10 0 DEAELP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cc(C(F)(F)F)ccc1Cl ZINC000262122075 145263632 /nfs/dbraw/zinc/26/36/32/145263632.db2.gz MJCKSHOZSBGZEH-BXKDBHETSA-N 2 2 308.731 2.029 10 0 DEAELP CC1(C)CCC[NH2+][C@H]1C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000262392046 145280607 /nfs/dbraw/zinc/28/06/07/145280607.db2.gz BJVNYLINCHVKBC-HNNXBMFYSA-N 2 2 321.490 2.171 10 0 DEAELP CC(C)c1ccc(NC(=O)C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000262528154 145290805 /nfs/dbraw/zinc/29/08/05/145290805.db2.gz PDEIOSHBMWHKSI-BHYGNILZSA-N 2 2 301.434 2.418 10 0 DEAELP CC(C)c1ccc(NC(=O)C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000262528154 145290806 /nfs/dbraw/zinc/29/08/06/145290806.db2.gz PDEIOSHBMWHKSI-BHYGNILZSA-N 2 2 301.434 2.418 10 0 DEAELP C[C@@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(C)(C)C ZINC000112448559 401745651 /nfs/dbraw/zinc/74/56/51/401745651.db2.gz LPUQHRFWOKAZKG-CQSZACIVSA-N 2 2 324.513 2.279 10 0 DEAELP CC[NH+](CC)CC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000075262721 401756613 /nfs/dbraw/zinc/75/66/13/401756613.db2.gz QNUOWSWOADIWCE-CQSZACIVSA-N 2 2 300.406 2.391 10 0 DEAELP C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110214 401783436 /nfs/dbraw/zinc/78/34/36/401783436.db2.gz LWJULJKYDRTIRB-QGZVFWFLSA-N 2 2 317.477 2.355 10 0 DEAELP C[N@H+](CC(=O)NC(C)(C)C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110214 401783438 /nfs/dbraw/zinc/78/34/38/401783438.db2.gz LWJULJKYDRTIRB-QGZVFWFLSA-N 2 2 317.477 2.355 10 0 DEAELP C[NH+](CC(=O)NC(C)(C)C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076110214 401783441 /nfs/dbraw/zinc/78/34/41/401783441.db2.gz LWJULJKYDRTIRB-QGZVFWFLSA-N 2 2 317.477 2.355 10 0 DEAELP C[NH+](CC(=O)NC(C)(C)C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076110214 401783443 /nfs/dbraw/zinc/78/34/43/401783443.db2.gz LWJULJKYDRTIRB-QGZVFWFLSA-N 2 2 317.477 2.355 10 0 DEAELP COC(=O)[C@H](C)C[N@@H+](CCn1cc[nH+]c1)Cc1ccccc1 ZINC000131417403 401849746 /nfs/dbraw/zinc/84/97/46/401849746.db2.gz GZJDDALKRCRRGJ-OAHLLOKOSA-N 2 2 301.390 2.194 10 0 DEAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2nnc(-c3ccco3)o2)[C@H](C)C1 ZINC000081096578 401893960 /nfs/dbraw/zinc/89/39/60/401893960.db2.gz JSGKYQRHYGATQI-CHWSQXEVSA-N 2 2 304.394 2.492 10 0 DEAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2nnc(-c3ccco3)o2)[C@H](C)C1 ZINC000081096578 401893961 /nfs/dbraw/zinc/89/39/61/401893961.db2.gz JSGKYQRHYGATQI-CHWSQXEVSA-N 2 2 304.394 2.492 10 0 DEAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2nnc(-c3ccco3)o2)[C@H](C)C1 ZINC000081096578 401893964 /nfs/dbraw/zinc/89/39/64/401893964.db2.gz JSGKYQRHYGATQI-CHWSQXEVSA-N 2 2 304.394 2.492 10 0 DEAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2nnc(-c3ccco3)o2)[C@H](C)C1 ZINC000081096578 401893967 /nfs/dbraw/zinc/89/39/67/401893967.db2.gz JSGKYQRHYGATQI-CHWSQXEVSA-N 2 2 304.394 2.492 10 0 DEAELP COc1ccc(OC)c([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000151255355 402026577 /nfs/dbraw/zinc/02/65/77/402026577.db2.gz FIWMOQDZZCEQQW-HUUCEWRRSA-N 2 2 322.449 2.201 10 0 DEAELP C[C@H](NC(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1)c1cccs1 ZINC000123196378 402114965 /nfs/dbraw/zinc/11/49/65/402114965.db2.gz PBCKJTZFUNWYTI-IHRRRGAJSA-N 2 2 309.479 2.340 10 0 DEAELP C[C@H](NC(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1)c1cccs1 ZINC000123196378 402114969 /nfs/dbraw/zinc/11/49/69/402114969.db2.gz PBCKJTZFUNWYTI-IHRRRGAJSA-N 2 2 309.479 2.340 10 0 DEAELP C[C@H](NC(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1cccs1 ZINC000123196378 402114972 /nfs/dbraw/zinc/11/49/72/402114972.db2.gz PBCKJTZFUNWYTI-IHRRRGAJSA-N 2 2 309.479 2.340 10 0 DEAELP C[C@H](NC(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccs1 ZINC000123196378 402114976 /nfs/dbraw/zinc/11/49/76/402114976.db2.gz PBCKJTZFUNWYTI-IHRRRGAJSA-N 2 2 309.479 2.340 10 0 DEAELP Cc1cccc(CNC(=O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000123787850 402146040 /nfs/dbraw/zinc/14/60/40/402146040.db2.gz DOYKTCJACSPCBL-NVXWUHKLSA-N 2 2 303.450 2.026 10 0 DEAELP Cc1cccc(CNC(=O)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000123787850 402146041 /nfs/dbraw/zinc/14/60/41/402146041.db2.gz DOYKTCJACSPCBL-NVXWUHKLSA-N 2 2 303.450 2.026 10 0 DEAELP Cc1cccc(CNC(=O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000123787850 402146042 /nfs/dbraw/zinc/14/60/42/402146042.db2.gz DOYKTCJACSPCBL-NVXWUHKLSA-N 2 2 303.450 2.026 10 0 DEAELP Cc1cccc(CNC(=O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000123787850 402146043 /nfs/dbraw/zinc/14/60/43/402146043.db2.gz DOYKTCJACSPCBL-NVXWUHKLSA-N 2 2 303.450 2.026 10 0 DEAELP CCc1ccc(C[NH+]2CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)s1 ZINC000154570932 402218879 /nfs/dbraw/zinc/21/88/79/402218879.db2.gz GDXREJNNJVXARB-INIZCTEOSA-N 2 2 323.506 2.295 10 0 DEAELP C[C@H]1C[N@@H+](C2CC[NH+](CCN(C)c3ccccc3)CC2)CCO1 ZINC000177280052 402387263 /nfs/dbraw/zinc/38/72/63/402387263.db2.gz BJCMUPHGXDTYFI-KRWDZBQOSA-N 2 2 317.477 2.308 10 0 DEAELP C[C@H]1C[N@H+](C2CC[NH+](CCN(C)c3ccccc3)CC2)CCO1 ZINC000177280052 402387264 /nfs/dbraw/zinc/38/72/64/402387264.db2.gz BJCMUPHGXDTYFI-KRWDZBQOSA-N 2 2 317.477 2.308 10 0 DEAELP Cn1cc([C@@H]2CCC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)nc2)cn1 ZINC000177118243 402371763 /nfs/dbraw/zinc/37/17/63/402371763.db2.gz GCUYZJGKZGQYRZ-INIZCTEOSA-N 2 2 308.389 2.338 10 0 DEAELP Cn1cc([C@@H]2CCC[N@H+]2Cc2ccc(-n3cc[nH+]c3)nc2)cn1 ZINC000177118243 402371765 /nfs/dbraw/zinc/37/17/65/402371765.db2.gz GCUYZJGKZGQYRZ-INIZCTEOSA-N 2 2 308.389 2.338 10 0 DEAELP C[C@@H](c1ccccn1)[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000177151222 402375679 /nfs/dbraw/zinc/37/56/79/402375679.db2.gz RYOZZXYBFHETRT-DLBZAZTESA-N 2 2 302.466 2.245 10 0 DEAELP C[C@@H](c1ccccn1)[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000177151222 402375681 /nfs/dbraw/zinc/37/56/81/402375681.db2.gz RYOZZXYBFHETRT-DLBZAZTESA-N 2 2 302.466 2.245 10 0 DEAELP C[C@@H](c1ccccc1Cl)[NH+]1CCN(C(=O)C2([NH3+])CC2)CC1 ZINC000237485932 402409562 /nfs/dbraw/zinc/40/95/62/402409562.db2.gz OUUGFFMMOMRFRQ-LBPRGKRZSA-N 2 2 307.825 2.037 10 0 DEAELP [NH3+]C1(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)Cc2ccccc2C1 ZINC000165448083 402476227 /nfs/dbraw/zinc/47/62/27/402476227.db2.gz PLVMFAOYDUUYPK-UHFFFAOYSA-N 2 2 318.380 2.307 10 0 DEAELP CC(C)Cn1cc[nH+]c1CNC(=O)[C@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000178809729 402542957 /nfs/dbraw/zinc/54/29/57/402542957.db2.gz QMHDGIIYCMXBAT-RHSMWYFYSA-N 2 2 314.433 2.491 10 0 DEAELP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000246193228 402517318 /nfs/dbraw/zinc/51/73/18/402517318.db2.gz XFAZWCACISSLLF-IRXDYDNUSA-N 2 2 311.433 2.326 10 0 DEAELP CC[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000246193228 402517322 /nfs/dbraw/zinc/51/73/22/402517322.db2.gz XFAZWCACISSLLF-IRXDYDNUSA-N 2 2 311.433 2.326 10 0 DEAELP COCc1noc([C@H](C)[NH+]2CCC(C[NH+]3CCCC3)CC2)n1 ZINC000181556444 402649529 /nfs/dbraw/zinc/64/95/29/402649529.db2.gz OWEGKLYMOWCSMR-ZDUSSCGKSA-N 2 2 308.426 2.085 10 0 DEAELP C[C@H]([NH2+]CCN1CCO[C@H](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000192793825 402750362 /nfs/dbraw/zinc/75/03/62/402750362.db2.gz UROZBQRUYPTKFC-CVEARBPZSA-N 2 2 314.433 2.244 10 0 DEAELP C[NH+]1CCN([C@@H]2CCCC[N@H+](Cc3ccc(Cl)nc3)C2)CC1 ZINC000174881306 402760663 /nfs/dbraw/zinc/76/06/63/402760663.db2.gz URDRUQKFIGJNTK-MRXNPFEDSA-N 2 2 322.884 2.337 10 0 DEAELP C[NH+]1CCN([C@@H]2CCCC[N@@H+](Cc3ccc(Cl)nc3)C2)CC1 ZINC000174881306 402760666 /nfs/dbraw/zinc/76/06/66/402760666.db2.gz URDRUQKFIGJNTK-MRXNPFEDSA-N 2 2 322.884 2.337 10 0 DEAELP CN(C)c1cc[nH+]cc1C(=O)NCCCCNc1cccc[nH+]1 ZINC000183561623 402776060 /nfs/dbraw/zinc/77/60/60/402776060.db2.gz XLZLHPOKAIZHMC-UHFFFAOYSA-N 2 2 313.405 2.165 10 0 DEAELP CN(C)c1cc[nH+]cc1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000184305976 402834451 /nfs/dbraw/zinc/83/44/51/402834451.db2.gz HDELBRMJIWKNIF-UHFFFAOYSA-N 2 2 321.384 2.263 10 0 DEAELP C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)[C@H]1c1ccccc1 ZINC000332759186 403613634 /nfs/dbraw/zinc/61/36/34/403613634.db2.gz ZEYJLAYZGWUORE-RYQLBKOJSA-N 2 2 324.428 2.007 10 0 DEAELP C[N@H+]1CC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)[C@H]1c1ccccc1 ZINC000332759186 403613635 /nfs/dbraw/zinc/61/36/35/403613635.db2.gz ZEYJLAYZGWUORE-RYQLBKOJSA-N 2 2 324.428 2.007 10 0 DEAELP c1cc(C[NH+]2CCCCC2)cc(C[N@@H+]2C[C@@H]3COC[C@H](C2)O3)c1 ZINC000411688934 403939797 /nfs/dbraw/zinc/93/97/97/403939797.db2.gz DLVYAFVVGMGXMC-KDURUIRLSA-N 2 2 316.445 2.272 10 0 DEAELP c1cc(C[NH+]2CCCCC2)cc(C[N@H+]2C[C@@H]3COC[C@H](C2)O3)c1 ZINC000411688934 403939807 /nfs/dbraw/zinc/93/98/07/403939807.db2.gz DLVYAFVVGMGXMC-KDURUIRLSA-N 2 2 316.445 2.272 10 0 DEAELP c1ccc(N2CCC([NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)[nH+]c1 ZINC000337588257 404115818 /nfs/dbraw/zinc/11/58/18/404115818.db2.gz LXBSKBOZEKNDTA-SJORKVTESA-N 3 2 300.450 2.267 10 0 DEAELP c1ccc(N2CCC([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)[nH+]c1 ZINC000337588257 404115819 /nfs/dbraw/zinc/11/58/19/404115819.db2.gz LXBSKBOZEKNDTA-SJORKVTESA-N 3 2 300.450 2.267 10 0 DEAELP COC1([C@H](C)[NH2+][C@@H]2CC[N@H+](CC3CCCC3)C2)CCOCC1 ZINC000453124642 405285423 /nfs/dbraw/zinc/28/54/23/405285423.db2.gz SCFAYPVKGAWPPK-DOTOQJQBSA-N 2 2 310.482 2.425 10 0 DEAELP COC1([C@H](C)[NH2+][C@@H]2CC[N@@H+](CC3CCCC3)C2)CCOCC1 ZINC000453124642 405285425 /nfs/dbraw/zinc/28/54/25/405285425.db2.gz SCFAYPVKGAWPPK-DOTOQJQBSA-N 2 2 310.482 2.425 10 0 DEAELP c1cc(-c2noc(C[N@@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)n2)co1 ZINC000420376936 405337709 /nfs/dbraw/zinc/33/77/09/405337709.db2.gz AULWPDUFZZULSL-JSGCOSHPSA-N 2 2 302.378 2.294 10 0 DEAELP c1cc(-c2noc(C[N@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)n2)co1 ZINC000420376936 405337711 /nfs/dbraw/zinc/33/77/11/405337711.db2.gz AULWPDUFZZULSL-JSGCOSHPSA-N 2 2 302.378 2.294 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@H](C1CC1)[NH+](C)C)C2 ZINC000530422199 405799637 /nfs/dbraw/zinc/79/96/37/405799637.db2.gz RRSDEGRNKUVTGI-XJKSGUPXSA-N 2 2 318.465 2.094 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@H](C1CC1)[NH+](C)C)CC2 ZINC000530422199 405799646 /nfs/dbraw/zinc/79/96/46/405799646.db2.gz RRSDEGRNKUVTGI-XJKSGUPXSA-N 2 2 318.465 2.094 10 0 DEAELP c1cn(-c2ccc(C[N@@H+]3CC[C@@H](Nc4ncccn4)C3)cc2)c[nH+]1 ZINC000567905306 406158410 /nfs/dbraw/zinc/15/84/10/406158410.db2.gz QZATVZQEEGBSLA-MRXNPFEDSA-N 2 2 320.400 2.349 10 0 DEAELP CCC[N@@H+]1CC[C@H](CNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC000524211780 406442700 /nfs/dbraw/zinc/44/27/00/406442700.db2.gz SRCCUTBZHAABTP-CQSZACIVSA-N 2 2 319.453 2.031 10 0 DEAELP CCC[N@H+]1CC[C@H](CNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC000524211780 406442704 /nfs/dbraw/zinc/44/27/04/406442704.db2.gz SRCCUTBZHAABTP-CQSZACIVSA-N 2 2 319.453 2.031 10 0 DEAELP O[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390907337 424918921 /nfs/dbraw/zinc/91/89/21/424918921.db2.gz SNFOMGLEWKCHMY-IPMKNSEASA-N 2 2 318.461 2.171 10 0 DEAELP O[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390907337 424918922 /nfs/dbraw/zinc/91/89/22/424918922.db2.gz SNFOMGLEWKCHMY-IPMKNSEASA-N 2 2 318.461 2.171 10 0 DEAELP CC(C)(C)[NH+]1CCC(NC(=O)[C@@H]2CCCn3cc[nH+]c32)CC1 ZINC000176073271 273498357 /nfs/dbraw/zinc/49/83/57/273498357.db2.gz ZCCFNVAYIAMGCA-CQSZACIVSA-N 2 2 304.438 2.140 10 0 DEAELP C[C@@H](C[N@H+](C)Cc1ccccc1)NCc1c[nH+]c(N(C)C)n1C ZINC000309933157 278242336 /nfs/dbraw/zinc/24/23/36/278242336.db2.gz ZTXZYYJJJYEINS-HNNXBMFYSA-N 2 2 315.465 2.096 10 0 DEAELP C[C@@H](C[N@@H+](C)Cc1ccccc1)NCc1c[nH+]c(N(C)C)n1C ZINC000309933157 278242337 /nfs/dbraw/zinc/24/23/37/278242337.db2.gz ZTXZYYJJJYEINS-HNNXBMFYSA-N 2 2 315.465 2.096 10 0 DEAELP Cc1cc(C)c(N2CC[C@@H]([NH2+]C3CC[NH+](C)CC3)C2=O)c(C)c1 ZINC000190972506 280386692 /nfs/dbraw/zinc/38/66/92/280386692.db2.gz BVHPYHGIYUUGFN-QGZVFWFLSA-N 2 2 315.461 2.401 10 0 DEAELP C[C@@H]1C[N@H+](Cc2cnc(NC(=O)CC3CC3)s2)CC[C@H]1[NH3+] ZINC000725272093 563577328 /nfs/dbraw/zinc/57/73/28/563577328.db2.gz MDXAZCKEVVSBOI-ZWNOBZJWSA-N 2 2 308.451 2.051 10 0 DEAELP C[C@@H]1C[N@@H+](Cc2cnc(NC(=O)CC3CC3)s2)CC[C@H]1[NH3+] ZINC000725272093 563577330 /nfs/dbraw/zinc/57/73/30/563577330.db2.gz MDXAZCKEVVSBOI-ZWNOBZJWSA-N 2 2 308.451 2.051 10 0 DEAELP C[C@@H](Cn1cc[nH+]c1)[NH2+]C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000235149080 625132014 /nfs/dbraw/zinc/13/20/14/625132014.db2.gz YTADQWIIGWJASW-UONOGXRCSA-N 2 2 308.426 2.261 10 0 DEAELP C[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3cscn3)C2)ccn1 ZINC000886056913 691994488 /nfs/dbraw/zinc/99/44/88/691994488.db2.gz QLGXMQXFWPNVCV-INIZCTEOSA-N 2 2 318.446 2.253 10 0 DEAELP C[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3cscn3)C2)ccn1 ZINC000886056913 691994490 /nfs/dbraw/zinc/99/44/90/691994490.db2.gz QLGXMQXFWPNVCV-INIZCTEOSA-N 2 2 318.446 2.253 10 0 DEAELP C[C@@H]1C[C@@H]([NH2+]CCn2cc[nH+]c2)CN(C(=O)OC(C)(C)C)C1 ZINC000401726746 801846170 /nfs/dbraw/zinc/84/61/70/801846170.db2.gz MDZYZROFROPMHM-ZIAGYGMSSA-N 2 2 308.426 2.118 10 0 DEAELP Nc1cc[nH+]cc1C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000082315452 185175570 /nfs/dbraw/zinc/17/55/70/185175570.db2.gz CGHKUGUKJBUOEL-QPJJXVBHSA-N 2 2 322.412 2.135 10 0 DEAELP [NH3+]C[C@H]([NH2+]C[C@H]1CCCO1)c1ccccc1OC(F)(F)F ZINC000087928561 185237616 /nfs/dbraw/zinc/23/76/16/185237616.db2.gz PXOMHDBGJNOACU-PWSUYJOCSA-N 2 2 304.312 2.354 10 0 DEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@@H](C)C(=O)Nc1nccs1 ZINC000154549316 282217724 /nfs/dbraw/zinc/21/77/24/282217724.db2.gz PNYOZPBOEDZGAN-WCQYABFASA-N 2 2 319.434 2.140 10 0 DEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@@H](C)C(=O)Nc1nccs1 ZINC000154549316 282217725 /nfs/dbraw/zinc/21/77/25/282217725.db2.gz PNYOZPBOEDZGAN-WCQYABFASA-N 2 2 319.434 2.140 10 0 DEAELP C[C@H](c1ccccc1Cl)N(C)C(=O)C[NH+]1CCC([NH3+])CC1 ZINC000092714094 185335693 /nfs/dbraw/zinc/33/56/93/185335693.db2.gz UPLMOFLLDLTFAE-GFCCVEGCSA-N 2 2 309.841 2.283 10 0 DEAELP C[N@H+](CCn1cc[nH+]c1)C[C@@H]1C[C@H](F)CN1Cc1cccs1 ZINC000328649866 529940900 /nfs/dbraw/zinc/94/09/00/529940900.db2.gz VHKDDOBZDWPMFR-GJZGRUSLSA-N 2 2 322.453 2.489 10 0 DEAELP C[N@@H+](CCn1cc[nH+]c1)C[C@@H]1C[C@H](F)CN1Cc1cccs1 ZINC000328649866 529940901 /nfs/dbraw/zinc/94/09/01/529940901.db2.gz VHKDDOBZDWPMFR-GJZGRUSLSA-N 2 2 322.453 2.489 10 0 DEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NCC2CCCCC2)[C@@H](C)C1 ZINC000245414258 282386240 /nfs/dbraw/zinc/38/62/40/282386240.db2.gz CDDIHJYJEQKMLG-RDJZCZTQSA-N 2 2 309.498 2.345 10 0 DEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NCC2CCCCC2)[C@@H](C)C1 ZINC000245414258 282386243 /nfs/dbraw/zinc/38/62/43/282386243.db2.gz CDDIHJYJEQKMLG-RDJZCZTQSA-N 2 2 309.498 2.345 10 0 DEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NCC2CCCCC2)[C@@H](C)C1 ZINC000245414258 282386245 /nfs/dbraw/zinc/38/62/45/282386245.db2.gz CDDIHJYJEQKMLG-RDJZCZTQSA-N 2 2 309.498 2.345 10 0 DEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NCC2CCCCC2)[C@@H](C)C1 ZINC000245414258 282386248 /nfs/dbraw/zinc/38/62/48/282386248.db2.gz CDDIHJYJEQKMLG-RDJZCZTQSA-N 2 2 309.498 2.345 10 0 DEAELP CC(C)CN(CC(C)C)C(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262018140 535032578 /nfs/dbraw/zinc/03/25/78/535032578.db2.gz XIFXLMBUPBPAPK-SJPCQFCGSA-N 2 2 309.498 2.342 10 0 DEAELP CC(C)CN(CC(C)C)C(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262018140 535032584 /nfs/dbraw/zinc/03/25/84/535032584.db2.gz XIFXLMBUPBPAPK-SJPCQFCGSA-N 2 2 309.498 2.342 10 0 DEAELP C[C@@H]([NH2+]CCN1CCOC[C@@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000249443894 282560941 /nfs/dbraw/zinc/56/09/41/282560941.db2.gz FQVBFUCESMKIIV-JKSUJKDBSA-N 2 2 314.433 2.244 10 0 DEAELP C[C@H]([NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccoc1 ZINC000177918722 539633282 /nfs/dbraw/zinc/63/32/82/539633282.db2.gz YUTJNISXIXGEJF-KSSFIOAISA-N 2 2 300.402 2.349 10 0 DEAELP C[C@H]([NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1)c1ccoc1 ZINC000177918722 539633284 /nfs/dbraw/zinc/63/32/84/539633284.db2.gz YUTJNISXIXGEJF-KSSFIOAISA-N 2 2 300.402 2.349 10 0 DEAELP C[C@H](C(=O)N(C)Cc1ccccc1)[NH+]1CCC([NH+](C)C)CC1 ZINC000193817768 539715429 /nfs/dbraw/zinc/71/54/29/539715429.db2.gz XKSJBUZEAPXNGS-OAHLLOKOSA-N 2 2 303.450 2.060 10 0 DEAELP CC[C@H]([NH3+])[C@H](c1ccc(C)s1)[NH+]1CCC(NC(C)=O)CC1 ZINC000133705251 186008671 /nfs/dbraw/zinc/00/86/71/186008671.db2.gz QOCIHWHZHIFPLE-GOEBONIOSA-N 2 2 309.479 2.435 10 0 DEAELP [NH3+]CC[C@H]1CCCC[N@@H+]1[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000147722599 186041450 /nfs/dbraw/zinc/04/14/50/186041450.db2.gz GASGDFLRPGENCG-UKRRQHHQSA-N 2 2 308.447 2.108 10 0 DEAELP [NH3+]CC[C@H]1CCCC[N@H+]1[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000147722599 186041452 /nfs/dbraw/zinc/04/14/52/186041452.db2.gz GASGDFLRPGENCG-UKRRQHHQSA-N 2 2 308.447 2.108 10 0 DEAELP COC(=O)[C@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000358859825 283074673 /nfs/dbraw/zinc/07/46/73/283074673.db2.gz WSFPFHGAXOJYSO-GOSISDBHSA-N 2 2 316.445 2.440 10 0 DEAELP CC(C)[C@@H](C)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000073441126 191317064 /nfs/dbraw/zinc/31/70/64/191317064.db2.gz JZAHTAPZHIYOEE-MRXNPFEDSA-N 2 2 324.513 2.280 10 0 DEAELP COc1ccc(C[C@](C)(C[NH3+])[NH+]2CCSCC2)cc1OC ZINC000080182868 192010345 /nfs/dbraw/zinc/01/03/45/192010345.db2.gz XRYXVDMIJQDDMK-MRXNPFEDSA-N 2 2 310.463 2.013 10 0 DEAELP C[C@H]([NH2+]CCc1cn(C)c[nH+]1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400796206 283158655 /nfs/dbraw/zinc/15/86/55/283158655.db2.gz SWMJRLLBHYGGRD-UONOGXRCSA-N 2 2 322.453 2.198 10 0 DEAELP C[C@@H]([NH2+]CC[NH+]1CCCC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400509136 283157685 /nfs/dbraw/zinc/15/76/85/283157685.db2.gz KXBCIWMNDMAGEJ-CABCVRRESA-N 2 2 311.470 2.317 10 0 DEAELP c1cn2c([nH+]1)C[C@@H](c1nc(-c3ccn4c[nH+]cc4c3)no1)CC2 ZINC000350297801 356519235 /nfs/dbraw/zinc/51/92/35/356519235.db2.gz FUOFHGNWRBOLEX-LBPRGKRZSA-N 2 2 306.329 2.311 10 0 DEAELP CC(C)c1csc([C@@H]2CCC[N@H+](Cc3noc(C[NH3+])n3)C2)n1 ZINC000262183167 535378049 /nfs/dbraw/zinc/37/80/49/535378049.db2.gz IWKFADVLHHDOLO-LLVKDONJSA-N 2 2 321.450 2.488 10 0 DEAELP CC(C)c1csc([C@@H]2CCC[N@@H+](Cc3noc(C[NH3+])n3)C2)n1 ZINC000262183167 535378050 /nfs/dbraw/zinc/37/80/50/535378050.db2.gz IWKFADVLHHDOLO-LLVKDONJSA-N 2 2 321.450 2.488 10 0 DEAELP C[C@@H](NC(=O)CCc1c[nH+]cn1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189155063 200357242 /nfs/dbraw/zinc/35/72/42/200357242.db2.gz JLHFCMALKYSLDN-CQSZACIVSA-N 2 2 323.400 2.416 10 0 DEAELP O=C(Nc1ccc2[nH+]ccn2c1)N1CCC(n2cc[nH+]c2)CC1 ZINC000606582168 361022797 /nfs/dbraw/zinc/02/27/97/361022797.db2.gz FMSRMPGHWZJFBK-UHFFFAOYSA-N 2 2 310.361 2.400 10 0 DEAELP C[C@@H](C[NH+]1CCCCC1)NC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000606581420 361023328 /nfs/dbraw/zinc/02/33/28/361023328.db2.gz CFUSVGQFHQPPGX-ZDUSSCGKSA-N 2 2 301.394 2.330 10 0 DEAELP C[N@H+](CC1CC(O)C1)[C@@H](C[NH3+])c1cc(Br)cs1 ZINC000091450816 193057431 /nfs/dbraw/zinc/05/74/31/193057431.db2.gz HVIJZDSYGXNBHD-RFBVYIQQSA-N 2 2 319.268 2.213 10 0 DEAELP C[N@@H+](CC1CC(O)C1)[C@@H](C[NH3+])c1cc(Br)cs1 ZINC000091450816 193057433 /nfs/dbraw/zinc/05/74/33/193057433.db2.gz HVIJZDSYGXNBHD-RFBVYIQQSA-N 2 2 319.268 2.213 10 0 DEAELP CCS(=O)(=O)CCC[C@H]([NH3+])C(C)(C)[NH+]1CCCCCC1 ZINC000091567774 193074276 /nfs/dbraw/zinc/07/42/76/193074276.db2.gz FFLXXQQXJRFFJZ-AWEZNQCLSA-N 2 2 304.500 2.183 10 0 DEAELP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1ccncc1Br)C2 ZINC000629535133 367239665 /nfs/dbraw/zinc/23/96/65/367239665.db2.gz CGEPAGQZHPWQEH-JSGCOSHPSA-N 2 2 310.239 2.405 10 0 DEAELP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1ccncc1Br)C2 ZINC000629535133 367239674 /nfs/dbraw/zinc/23/96/74/367239674.db2.gz CGEPAGQZHPWQEH-JSGCOSHPSA-N 2 2 310.239 2.405 10 0 DEAELP c1cc(OCC[NH+]2CCOCC2)ccc1C[NH2+][C@@H]1[C@@H]2CCC[C@@H]21 ZINC000631179106 368064508 /nfs/dbraw/zinc/06/45/08/368064508.db2.gz ZAKQYHLGISZERH-REPLKXPHSA-N 2 2 316.445 2.286 10 0 DEAELP CCC[NH2+][C@@H]1CCC[C@@H]([NH+]2CCN(CC(F)(F)F)CC2)C1 ZINC000093730402 193298866 /nfs/dbraw/zinc/29/88/66/193298866.db2.gz FXILALRBOZSLIE-ZIAGYGMSSA-N 2 2 307.404 2.477 10 0 DEAELP C[NH2+][C@H](Cc1csc2ccccc12)[C@@H]1C[N@H+](C)CCN1C ZINC000093894373 193324348 /nfs/dbraw/zinc/32/43/48/193324348.db2.gz REZTZWMFEFAOAL-CVEARBPZSA-N 2 2 303.475 2.278 10 0 DEAELP C[NH2+][C@H](Cc1csc2ccccc12)[C@@H]1C[N@@H+](C)CCN1C ZINC000093894373 193324350 /nfs/dbraw/zinc/32/43/50/193324350.db2.gz REZTZWMFEFAOAL-CVEARBPZSA-N 2 2 303.475 2.278 10 0 DEAELP CC[NH2+][C@@H](Cc1c(F)cccc1Cl)[C@@H]1C[N@H+](C)CCN1C ZINC000093895495 193324775 /nfs/dbraw/zinc/32/47/75/193324775.db2.gz MZOSCTHQNVASSY-HOTGVXAUSA-N 2 2 313.848 2.246 10 0 DEAELP CC[NH2+][C@@H](Cc1c(F)cccc1Cl)[C@@H]1C[N@@H+](C)CCN1C ZINC000093895495 193324776 /nfs/dbraw/zinc/32/47/76/193324776.db2.gz MZOSCTHQNVASSY-HOTGVXAUSA-N 2 2 313.848 2.246 10 0 DEAELP CC[NH2+][C@H](Cc1ccc(Cl)s1)[C@@H]1C[N@H+](C)CCN1C ZINC000093895616 193324785 /nfs/dbraw/zinc/32/47/85/193324785.db2.gz XGDQPJFLRBZFIR-OLZOCXBDSA-N 2 2 301.887 2.168 10 0 DEAELP CC[NH2+][C@H](Cc1ccc(Cl)s1)[C@@H]1C[N@@H+](C)CCN1C ZINC000093895616 193324787 /nfs/dbraw/zinc/32/47/87/193324787.db2.gz XGDQPJFLRBZFIR-OLZOCXBDSA-N 2 2 301.887 2.168 10 0 DEAELP C[C@@H]1C[N@H+](CC(=O)N2CCC[C@@H]2c2cccs2)CC[C@@H]1[NH3+] ZINC000094341378 193361670 /nfs/dbraw/zinc/36/16/70/193361670.db2.gz LMZFDXMCLYQXAK-HZSPNIEDSA-N 2 2 307.463 2.081 10 0 DEAELP C[C@@H]1C[N@@H+](CC(=O)N2CCC[C@@H]2c2cccs2)CC[C@@H]1[NH3+] ZINC000094341378 193361672 /nfs/dbraw/zinc/36/16/72/193361672.db2.gz LMZFDXMCLYQXAK-HZSPNIEDSA-N 2 2 307.463 2.081 10 0 DEAELP CC(C)C[C@@H](C[NH3+])C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000094698361 193391577 /nfs/dbraw/zinc/39/15/77/193391577.db2.gz JCOVZSCJQUHDCS-AWEZNQCLSA-N 2 2 309.479 2.013 10 0 DEAELP C[C@H]1SCCC[C@@]1(C[NH3+])[NH+]1CCN(c2ccccc2)CC1 ZINC000094478704 193372922 /nfs/dbraw/zinc/37/29/22/193372922.db2.gz UBXRGRXQYZZDBZ-WBVHZDCISA-N 2 2 305.491 2.422 10 0 DEAELP c1ccc(C[N@H+]2CC[C@@H](SCC[NH+]3CCOCC3)C2)cc1 ZINC000283007562 217383747 /nfs/dbraw/zinc/38/37/47/217383747.db2.gz LERZMRXFNVSQMU-QGZVFWFLSA-N 2 2 306.475 2.326 10 0 DEAELP c1ccc(C[N@@H+]2CC[C@@H](SCC[NH+]3CCOCC3)C2)cc1 ZINC000283007562 217383750 /nfs/dbraw/zinc/38/37/50/217383750.db2.gz LERZMRXFNVSQMU-QGZVFWFLSA-N 2 2 306.475 2.326 10 0 DEAELP COCCC[N@H+](CCOC)[C@@H](C[NH3+])c1ccc(Cl)cc1 ZINC000042421000 183267757 /nfs/dbraw/zinc/26/77/57/183267757.db2.gz AUOGKWAMCOZNSG-HNNXBMFYSA-N 2 2 300.830 2.325 10 0 DEAELP COCCC[N@@H+](CCOC)[C@@H](C[NH3+])c1ccc(Cl)cc1 ZINC000042421000 183267760 /nfs/dbraw/zinc/26/77/60/183267760.db2.gz AUOGKWAMCOZNSG-HNNXBMFYSA-N 2 2 300.830 2.325 10 0 DEAELP CC[C@H]([NH3+])[C@@H](c1cccc(Cl)c1)[NH+]1CCC(C(N)=O)CC1 ZINC000042975091 183325448 /nfs/dbraw/zinc/32/54/48/183325448.db2.gz ICVHTOFLJJWAOJ-LSDHHAIUSA-N 2 2 309.841 2.316 10 0 DEAELP CCC[NH2+][C@@H]1CCC[C@H]1C[NH+]1CCN(CC(F)(F)F)CC1 ZINC000061947636 184198114 /nfs/dbraw/zinc/19/81/14/184198114.db2.gz URAGABNBBWAPOK-UONOGXRCSA-N 2 2 307.404 2.335 10 0 DEAELP C[C@H]1C[C@@H](Nc2[nH+]c3c(cc2C(N)=S)CCC3)CC[N@@H+]1C ZINC000158060069 197239760 /nfs/dbraw/zinc/23/97/60/197239760.db2.gz JOIJUUWXZILAMG-JQWIXIFHSA-N 2 2 304.463 2.099 10 0 DEAELP C[C@H]1C[C@@H](Nc2[nH+]c3c(cc2C(N)=S)CCC3)CC[N@H+]1C ZINC000158060069 197239761 /nfs/dbraw/zinc/23/97/61/197239761.db2.gz JOIJUUWXZILAMG-JQWIXIFHSA-N 2 2 304.463 2.099 10 0 DEAELP Cc1cnn(C[C@H]2C[N@H+](CCCc3c[nH+]ccc3C)CCO2)c1 ZINC000289578925 221081498 /nfs/dbraw/zinc/08/14/98/221081498.db2.gz HFCZUVVWUZOFIN-GOSISDBHSA-N 2 2 314.433 2.229 10 0 DEAELP Cc1cnn(C[C@H]2C[N@@H+](CCCc3c[nH+]ccc3C)CCO2)c1 ZINC000289578925 221081499 /nfs/dbraw/zinc/08/14/99/221081499.db2.gz HFCZUVVWUZOFIN-GOSISDBHSA-N 2 2 314.433 2.229 10 0 DEAELP COC[C@@H](C)C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000189825071 335063691 /nfs/dbraw/zinc/06/36/91/335063691.db2.gz SWHHLNAZELPHOR-INIZCTEOSA-N 2 2 305.466 2.303 10 0 DEAELP COC[C@@H](C)C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000189825071 335063690 /nfs/dbraw/zinc/06/36/90/335063690.db2.gz SWHHLNAZELPHOR-INIZCTEOSA-N 2 2 305.466 2.303 10 0 DEAELP Cc1[nH+]ccn1CCC[N@@H+]1CCO[C@H](COc2ccccc2)C1 ZINC000361984899 133203435 /nfs/dbraw/zinc/20/34/35/133203435.db2.gz LWSTYBIZMYUFDZ-SFHVURJKSA-N 2 2 315.417 2.361 10 0 DEAELP Cc1[nH+]ccn1CCC[N@H+]1CCO[C@H](COc2ccccc2)C1 ZINC000361984899 133203436 /nfs/dbraw/zinc/20/34/36/133203436.db2.gz LWSTYBIZMYUFDZ-SFHVURJKSA-N 2 2 315.417 2.361 10 0 DEAELP Cc1cncc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC000189973845 145036698 /nfs/dbraw/zinc/03/66/98/145036698.db2.gz SWMDTOLLQWGFCR-DFNIBXOVSA-N 2 2 314.477 2.133 10 0 DEAELP Cc1cncc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC000189973845 145036699 /nfs/dbraw/zinc/03/66/99/145036699.db2.gz SWMDTOLLQWGFCR-DFNIBXOVSA-N 2 2 314.477 2.133 10 0 DEAELP Cc1cncc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC000189973845 145036700 /nfs/dbraw/zinc/03/67/00/145036700.db2.gz SWMDTOLLQWGFCR-DFNIBXOVSA-N 2 2 314.477 2.133 10 0 DEAELP Cc1cncc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC000189973845 145036701 /nfs/dbraw/zinc/03/67/01/145036701.db2.gz SWMDTOLLQWGFCR-DFNIBXOVSA-N 2 2 314.477 2.133 10 0 DEAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](CC(N)=O)CC(C)C ZINC000191934562 145068251 /nfs/dbraw/zinc/06/82/51/145068251.db2.gz YKIKMHVMNNBLFF-UHFFFAOYSA-N 2 2 300.406 2.124 10 0 DEAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](CC(N)=O)CC(C)C ZINC000191934562 145068253 /nfs/dbraw/zinc/06/82/53/145068253.db2.gz YKIKMHVMNNBLFF-UHFFFAOYSA-N 2 2 300.406 2.124 10 0 DEAELP Cc1ccsc1CNC(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246587946 145107721 /nfs/dbraw/zinc/10/77/21/145107721.db2.gz FRDCKYMKYYNBCD-KBPBESRZSA-N 2 2 309.479 2.087 10 0 DEAELP Cc1ccsc1CNC(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246587946 145107723 /nfs/dbraw/zinc/10/77/23/145107723.db2.gz FRDCKYMKYYNBCD-KBPBESRZSA-N 2 2 309.479 2.087 10 0 DEAELP Cc1ccsc1CNC(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246587946 145107725 /nfs/dbraw/zinc/10/77/25/145107725.db2.gz FRDCKYMKYYNBCD-KBPBESRZSA-N 2 2 309.479 2.087 10 0 DEAELP Cc1ccsc1CNC(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246587946 145107727 /nfs/dbraw/zinc/10/77/27/145107727.db2.gz FRDCKYMKYYNBCD-KBPBESRZSA-N 2 2 309.479 2.087 10 0 DEAELP CCO[C@@H](C)c1noc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)n1 ZINC000246997545 145122018 /nfs/dbraw/zinc/12/20/18/145122018.db2.gz KMUFLOGHONRYCP-JSGCOSHPSA-N 2 2 319.409 2.337 10 0 DEAELP CCO[C@@H](C)c1noc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)n1 ZINC000246997545 145122020 /nfs/dbraw/zinc/12/20/20/145122020.db2.gz KMUFLOGHONRYCP-JSGCOSHPSA-N 2 2 319.409 2.337 10 0 DEAELP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)Nc3cccc(F)c3)CC[C@H]21 ZINC000248152020 145149403 /nfs/dbraw/zinc/14/94/03/145149403.db2.gz QWCONAKWUHUDNP-XJKSGUPXSA-N 2 2 305.397 2.180 10 0 DEAELP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)Nc3cccc(F)c3)CC[C@H]21 ZINC000248152020 145149406 /nfs/dbraw/zinc/14/94/06/145149406.db2.gz QWCONAKWUHUDNP-XJKSGUPXSA-N 2 2 305.397 2.180 10 0 DEAELP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)Nc3cccc(F)c3)CC[C@H]21 ZINC000248152020 145149408 /nfs/dbraw/zinc/14/94/08/145149408.db2.gz QWCONAKWUHUDNP-XJKSGUPXSA-N 2 2 305.397 2.180 10 0 DEAELP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)Nc3cccc(F)c3)CC[C@H]21 ZINC000248152020 145149409 /nfs/dbraw/zinc/14/94/09/145149409.db2.gz QWCONAKWUHUDNP-XJKSGUPXSA-N 2 2 305.397 2.180 10 0 DEAELP CN(C(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)c1ccccc1 ZINC000248167050 145149556 /nfs/dbraw/zinc/14/95/56/145149556.db2.gz TXVKIRNNKFXBOD-DOTOQJQBSA-N 2 2 301.434 2.066 10 0 DEAELP CN(C(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)c1ccccc1 ZINC000248167050 145149558 /nfs/dbraw/zinc/14/95/58/145149558.db2.gz TXVKIRNNKFXBOD-DOTOQJQBSA-N 2 2 301.434 2.066 10 0 DEAELP CN(C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)c1ccccc1 ZINC000248167050 145149559 /nfs/dbraw/zinc/14/95/59/145149559.db2.gz TXVKIRNNKFXBOD-DOTOQJQBSA-N 2 2 301.434 2.066 10 0 DEAELP CN(C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)c1ccccc1 ZINC000248167050 145149560 /nfs/dbraw/zinc/14/95/60/145149560.db2.gz TXVKIRNNKFXBOD-DOTOQJQBSA-N 2 2 301.434 2.066 10 0 DEAELP COc1ccnc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1OC ZINC000248977480 145174511 /nfs/dbraw/zinc/17/45/11/145174511.db2.gz DSOFGCRJOSQVIF-DZGCQCFKSA-N 2 2 305.422 2.015 10 0 DEAELP COc1ccnc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1OC ZINC000248977480 145174512 /nfs/dbraw/zinc/17/45/12/145174512.db2.gz DSOFGCRJOSQVIF-DZGCQCFKSA-N 2 2 305.422 2.015 10 0 DEAELP COc1ccnc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1OC ZINC000248977480 145174513 /nfs/dbraw/zinc/17/45/13/145174513.db2.gz DSOFGCRJOSQVIF-DZGCQCFKSA-N 2 2 305.422 2.015 10 0 DEAELP COc1ccnc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1OC ZINC000248977480 145174514 /nfs/dbraw/zinc/17/45/14/145174514.db2.gz DSOFGCRJOSQVIF-DZGCQCFKSA-N 2 2 305.422 2.015 10 0 DEAELP C[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)C1 ZINC000249875525 145191354 /nfs/dbraw/zinc/19/13/54/145191354.db2.gz LMTWNEASGQDDEO-HOTGVXAUSA-N 2 2 316.449 2.074 10 0 DEAELP C[C@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)C1 ZINC000249875525 145191355 /nfs/dbraw/zinc/19/13/55/145191355.db2.gz LMTWNEASGQDDEO-HOTGVXAUSA-N 2 2 316.449 2.074 10 0 DEAELP C[N@H+](CC(=O)N1CCC[C@H]2CCCC[C@H]21)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261653235 145213907 /nfs/dbraw/zinc/21/39/07/145213907.db2.gz FOLMOYHRCPMHKL-FNNOIMFVSA-N 2 2 319.493 2.382 10 0 DEAELP C[N@@H+](CC(=O)N1CCC[C@H]2CCCC[C@H]21)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261653235 145213908 /nfs/dbraw/zinc/21/39/08/145213908.db2.gz FOLMOYHRCPMHKL-FNNOIMFVSA-N 2 2 319.493 2.382 10 0 DEAELP CC[N@H+](CC(=O)Nc1c(F)cccc1F)C[C@]1(C)CC[NH2+]C1 ZINC000261870693 145236034 /nfs/dbraw/zinc/23/60/34/145236034.db2.gz OTKUGSFZEYQDOI-MRXNPFEDSA-N 2 2 311.376 2.225 10 0 DEAELP CC[N@@H+](CC(=O)Nc1c(F)cccc1F)C[C@]1(C)CC[NH2+]C1 ZINC000261870693 145236036 /nfs/dbraw/zinc/23/60/36/145236036.db2.gz OTKUGSFZEYQDOI-MRXNPFEDSA-N 2 2 311.376 2.225 10 0 DEAELP CCOc1ccc(NC(=O)C[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000262566874 145293649 /nfs/dbraw/zinc/29/36/49/145293649.db2.gz WWLGOPORITVKLU-HNNXBMFYSA-N 2 2 305.422 2.083 10 0 DEAELP CCOc1ccc(NC(=O)C[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000262566874 145293650 /nfs/dbraw/zinc/29/36/50/145293650.db2.gz WWLGOPORITVKLU-HNNXBMFYSA-N 2 2 305.422 2.083 10 0 DEAELP CCCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000370306280 148004682 /nfs/dbraw/zinc/00/46/82/148004682.db2.gz UUWTYWHHSVCRTN-GJZGRUSLSA-N 2 2 318.465 2.314 10 0 DEAELP CCCNC(=O)[C@H](C)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000370306280 148004683 /nfs/dbraw/zinc/00/46/83/148004683.db2.gz UUWTYWHHSVCRTN-GJZGRUSLSA-N 2 2 318.465 2.314 10 0 DEAELP CCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000370306279 148005140 /nfs/dbraw/zinc/00/51/40/148005140.db2.gz UUWTYWHHSVCRTN-CABCVRRESA-N 2 2 318.465 2.314 10 0 DEAELP CCCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000370306279 148005142 /nfs/dbraw/zinc/00/51/42/148005142.db2.gz UUWTYWHHSVCRTN-CABCVRRESA-N 2 2 318.465 2.314 10 0 DEAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccoc3C3CC3)C2)CC1 ZINC000374226550 148219961 /nfs/dbraw/zinc/21/99/61/148219961.db2.gz AZNCFJZTSAEESG-CQSZACIVSA-N 2 2 317.433 2.055 10 0 DEAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccoc3C3CC3)C2)CC1 ZINC000374226550 148219963 /nfs/dbraw/zinc/21/99/63/148219963.db2.gz AZNCFJZTSAEESG-CQSZACIVSA-N 2 2 317.433 2.055 10 0 DEAELP Cc1c[nH+]c2cc(C(=O)NC[C@H]3CCCC[N@@H+]3C3CC3)ccn12 ZINC000565959675 292194346 /nfs/dbraw/zinc/19/43/46/292194346.db2.gz QKUIFDMFGUYMCQ-MRXNPFEDSA-N 2 2 312.417 2.389 10 0 DEAELP Cc1c[nH+]c2cc(C(=O)NC[C@H]3CCCC[N@H+]3C3CC3)ccn12 ZINC000565959675 292194347 /nfs/dbraw/zinc/19/43/47/292194347.db2.gz QKUIFDMFGUYMCQ-MRXNPFEDSA-N 2 2 312.417 2.389 10 0 DEAELP Cc1cccc(N2CCC([NH2+][C@@H]3CC[N@H+](C)[C@H](C)C3)CC2)[nH+]1 ZINC000128082005 401762337 /nfs/dbraw/zinc/76/23/37/401762337.db2.gz NZFFQFCIHUSDLO-NVXWUHKLSA-N 3 2 302.466 2.431 10 0 DEAELP Cc1cccc(N2CCC([NH2+][C@@H]3CC[N@@H+](C)[C@H](C)C3)CC2)[nH+]1 ZINC000128082005 401762341 /nfs/dbraw/zinc/76/23/41/401762341.db2.gz NZFFQFCIHUSDLO-NVXWUHKLSA-N 3 2 302.466 2.431 10 0 DEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NC2CCC(C)CC2)[C@H](C)C1 ZINC000081096594 401893715 /nfs/dbraw/zinc/89/37/15/401893715.db2.gz HYOJMIYMRBOKKW-MYBQVCMBSA-N 2 2 309.498 2.343 10 0 DEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NC2CCC(C)CC2)[C@H](C)C1 ZINC000081096594 401893719 /nfs/dbraw/zinc/89/37/19/401893719.db2.gz HYOJMIYMRBOKKW-MYBQVCMBSA-N 2 2 309.498 2.343 10 0 DEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NC2CCC(C)CC2)[C@H](C)C1 ZINC000081096594 401893720 /nfs/dbraw/zinc/89/37/20/401893720.db2.gz HYOJMIYMRBOKKW-MYBQVCMBSA-N 2 2 309.498 2.343 10 0 DEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NC2CCC(C)CC2)[C@H](C)C1 ZINC000081096594 401893722 /nfs/dbraw/zinc/89/37/22/401893722.db2.gz HYOJMIYMRBOKKW-MYBQVCMBSA-N 2 2 309.498 2.343 10 0 DEAELP Cc1cc(NC(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)cc[nH+]1 ZINC000119294313 401938668 /nfs/dbraw/zinc/93/86/68/401938668.db2.gz XVOCNHGYZSPAIL-INIZCTEOSA-N 2 2 320.437 2.258 10 0 DEAELP Cc1ccc(CNC(=O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000123154717 402113281 /nfs/dbraw/zinc/11/32/81/402113281.db2.gz JJIXGZUOPGMBKJ-NVXWUHKLSA-N 2 2 303.450 2.026 10 0 DEAELP Cc1ccc(CNC(=O)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000123154717 402113283 /nfs/dbraw/zinc/11/32/83/402113283.db2.gz JJIXGZUOPGMBKJ-NVXWUHKLSA-N 2 2 303.450 2.026 10 0 DEAELP Cc1ccc(CNC(=O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000123154717 402113286 /nfs/dbraw/zinc/11/32/86/402113286.db2.gz JJIXGZUOPGMBKJ-NVXWUHKLSA-N 2 2 303.450 2.026 10 0 DEAELP Cc1ccc(CNC(=O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000123154717 402113289 /nfs/dbraw/zinc/11/32/89/402113289.db2.gz JJIXGZUOPGMBKJ-NVXWUHKLSA-N 2 2 303.450 2.026 10 0 DEAELP COc1c(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c(C)nn1C ZINC000093563964 286183842 /nfs/dbraw/zinc/18/38/42/286183842.db2.gz KMRBWVGGDVZVLW-HNNXBMFYSA-N 2 2 306.454 2.187 10 0 DEAELP COc1c(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c(C)nn1C ZINC000093563964 286183843 /nfs/dbraw/zinc/18/38/43/286183843.db2.gz KMRBWVGGDVZVLW-HNNXBMFYSA-N 2 2 306.454 2.187 10 0 DEAELP Cc1cccc(NC[C@H]2CC[N@H+](CC(=O)NCC3CCC3)C2)[nH+]1 ZINC000108858402 402263315 /nfs/dbraw/zinc/26/33/15/402263315.db2.gz OAIYFADRJDIXQW-MRXNPFEDSA-N 2 2 316.449 2.040 10 0 DEAELP Cc1cccc(NC[C@H]2CC[N@@H+](CC(=O)NCC3CCC3)C2)[nH+]1 ZINC000108858402 402263317 /nfs/dbraw/zinc/26/33/17/402263317.db2.gz OAIYFADRJDIXQW-MRXNPFEDSA-N 2 2 316.449 2.040 10 0 DEAELP CC[N@H+]1CC[C@H](NC(=O)[C@@H](C)[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000158199937 402303254 /nfs/dbraw/zinc/30/32/54/402303254.db2.gz SZUYHMYZKJBIJM-IIMNLJJBSA-N 2 2 313.804 2.078 10 0 DEAELP CCC[C@@H](C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)[NH+](C)C ZINC000161774024 402398360 /nfs/dbraw/zinc/39/83/60/402398360.db2.gz UQUKTGCIJMHBQK-INIZCTEOSA-N 2 2 318.396 2.358 10 0 DEAELP C[NH2+]C[C@H](C)C(=O)N1CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC000237302112 402403335 /nfs/dbraw/zinc/40/33/35/402403335.db2.gz AKDMQGHDJVZDRW-UONOGXRCSA-N 2 2 323.868 2.401 10 0 DEAELP C[C@]([NH3+])(C(=O)NC1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000237659306 402417338 /nfs/dbraw/zinc/41/73/38/402417338.db2.gz OYDKMUHMZMDQFE-LJQANCHMSA-N 2 2 324.428 2.041 10 0 DEAELP CC[N@H+](C)C[C@H]1CCN(C(=O)NCc2[nH+]ccn2CC(C)C)C1 ZINC000177882404 402442529 /nfs/dbraw/zinc/44/25/29/402442529.db2.gz NHEZBZSNLVDXEL-OAHLLOKOSA-N 2 2 321.469 2.022 10 0 DEAELP CC[N@@H+](C)C[C@H]1CCN(C(=O)NCc2[nH+]ccn2CC(C)C)C1 ZINC000177882404 402442531 /nfs/dbraw/zinc/44/25/31/402442531.db2.gz NHEZBZSNLVDXEL-OAHLLOKOSA-N 2 2 321.469 2.022 10 0 DEAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCc2ccc(OC)cc21 ZINC000163318703 402446899 /nfs/dbraw/zinc/44/68/99/402446899.db2.gz ZCWHNYZRYXCHGB-CRAIPNDOSA-N 2 2 304.434 2.383 10 0 DEAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCc2ccc(OC)cc21 ZINC000163318703 402446903 /nfs/dbraw/zinc/44/69/03/402446903.db2.gz ZCWHNYZRYXCHGB-CRAIPNDOSA-N 2 2 304.434 2.383 10 0 DEAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NCc2ccc(C)cc2)[C@@H](C)C1 ZINC000245412426 402457836 /nfs/dbraw/zinc/45/78/36/402457836.db2.gz AODWAGPORBKMMD-FUHWJXTLSA-N 2 2 317.477 2.273 10 0 DEAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NCc2ccc(C)cc2)[C@@H](C)C1 ZINC000245412426 402457840 /nfs/dbraw/zinc/45/78/40/402457840.db2.gz AODWAGPORBKMMD-FUHWJXTLSA-N 2 2 317.477 2.273 10 0 DEAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NCc2ccc(C)cc2)[C@@H](C)C1 ZINC000245412426 402457844 /nfs/dbraw/zinc/45/78/44/402457844.db2.gz AODWAGPORBKMMD-FUHWJXTLSA-N 2 2 317.477 2.273 10 0 DEAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NCc2ccc(C)cc2)[C@@H](C)C1 ZINC000245412426 402457845 /nfs/dbraw/zinc/45/78/45/402457845.db2.gz AODWAGPORBKMMD-FUHWJXTLSA-N 2 2 317.477 2.273 10 0 DEAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2nc(-c3ccco3)no2)[C@@H](C)C1 ZINC000245426535 402459331 /nfs/dbraw/zinc/45/93/31/402459331.db2.gz LJTULEBFSJSJII-STQMWFEESA-N 2 2 304.394 2.492 10 0 DEAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2nc(-c3ccco3)no2)[C@@H](C)C1 ZINC000245426535 402459332 /nfs/dbraw/zinc/45/93/32/402459332.db2.gz LJTULEBFSJSJII-STQMWFEESA-N 2 2 304.394 2.492 10 0 DEAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2nc(-c3ccco3)no2)[C@@H](C)C1 ZINC000245426535 402459334 /nfs/dbraw/zinc/45/93/34/402459334.db2.gz LJTULEBFSJSJII-STQMWFEESA-N 2 2 304.394 2.492 10 0 DEAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2nc(-c3ccco3)no2)[C@@H](C)C1 ZINC000245426535 402459335 /nfs/dbraw/zinc/45/93/35/402459335.db2.gz LJTULEBFSJSJII-STQMWFEESA-N 2 2 304.394 2.492 10 0 DEAELP C[NH+](C)C1CC[NH+](CCCCC[NH+]2CCC([NH+](C)C)CC2)CC1 ZINC000178706295 402528536 /nfs/dbraw/zinc/52/85/36/402528536.db2.gz CZYWVNVKFAHRAL-UHFFFAOYSA-N 2 2 324.557 2.209 10 0 DEAELP CCOC(=O)[C@@H](CC)[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248657355 402602200 /nfs/dbraw/zinc/60/22/00/402602200.db2.gz SITDGDGMLQEAAH-DLBZAZTESA-N 2 2 319.449 2.177 10 0 DEAELP CCOC(=O)[C@@H](CC)[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248657355 402602203 /nfs/dbraw/zinc/60/22/03/402602203.db2.gz SITDGDGMLQEAAH-DLBZAZTESA-N 2 2 319.449 2.177 10 0 DEAELP CCOC(=O)[C@@H](CC)[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248657355 402602206 /nfs/dbraw/zinc/60/22/06/402602206.db2.gz SITDGDGMLQEAAH-DLBZAZTESA-N 2 2 319.449 2.177 10 0 DEAELP CCOC(=O)[C@@H](CC)[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000248657355 402602209 /nfs/dbraw/zinc/60/22/09/402602209.db2.gz SITDGDGMLQEAAH-DLBZAZTESA-N 2 2 319.449 2.177 10 0 DEAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(Cc2[nH+]ccn2C)C1 ZINC000190470109 402603531 /nfs/dbraw/zinc/60/35/31/402603531.db2.gz ZXZGGRFGPPQNAU-CQSZACIVSA-N 2 2 319.478 2.139 10 0 DEAELP Cc1ncsc1C[N@H+](C)C[C@H]1CCN(Cc2[nH+]ccn2C)C1 ZINC000190470109 402603534 /nfs/dbraw/zinc/60/35/34/402603534.db2.gz ZXZGGRFGPPQNAU-CQSZACIVSA-N 2 2 319.478 2.139 10 0 DEAELP O[C@H](C[NH2+][C@H]1CCCOc2cc(F)ccc21)C[NH+]1CCCCC1 ZINC000181987841 402662885 /nfs/dbraw/zinc/66/28/85/402662885.db2.gz AYQGSKTXQKISEQ-WBVHZDCISA-N 2 2 322.424 2.476 10 0 DEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ncnn1CC(C)C ZINC000182828019 402719726 /nfs/dbraw/zinc/71/97/26/402719726.db2.gz ZAHSXWCJXPZUIL-OAHLLOKOSA-N 2 2 302.426 2.104 10 0 DEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ncnn1CC(C)C ZINC000182828019 402719727 /nfs/dbraw/zinc/71/97/27/402719727.db2.gz ZAHSXWCJXPZUIL-OAHLLOKOSA-N 2 2 302.426 2.104 10 0 DEAELP CC(C)Cn1cc[nH+]c1CNC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000173372380 402694442 /nfs/dbraw/zinc/69/44/42/402694442.db2.gz OQRWMGQNJNEQIL-UHFFFAOYSA-N 2 2 321.469 2.211 10 0 DEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N2[C@H](C)CCC[C@@H]2C)[C@H](C)C1 ZINC000174772725 402756709 /nfs/dbraw/zinc/75/67/09/402756709.db2.gz MOEAAKFUJFAJCX-NCOADZHNSA-N 2 2 309.498 2.438 10 0 DEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N2[C@H](C)CCC[C@@H]2C)[C@H](C)C1 ZINC000174772725 402756710 /nfs/dbraw/zinc/75/67/10/402756710.db2.gz MOEAAKFUJFAJCX-NCOADZHNSA-N 2 2 309.498 2.438 10 0 DEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N2[C@H](C)CCC[C@@H]2C)[C@H](C)C1 ZINC000174772725 402756711 /nfs/dbraw/zinc/75/67/11/402756711.db2.gz MOEAAKFUJFAJCX-NCOADZHNSA-N 2 2 309.498 2.438 10 0 DEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N2[C@H](C)CCC[C@@H]2C)[C@H](C)C1 ZINC000174772725 402756713 /nfs/dbraw/zinc/75/67/13/402756713.db2.gz MOEAAKFUJFAJCX-NCOADZHNSA-N 2 2 309.498 2.438 10 0 DEAELP CC(C)CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515889 402848834 /nfs/dbraw/zinc/84/88/34/402848834.db2.gz AAUOTJHZEUEAMH-HZPDHXFCSA-N 2 2 318.465 2.366 10 0 DEAELP CC(C)CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515889 402848835 /nfs/dbraw/zinc/84/88/35/402848835.db2.gz AAUOTJHZEUEAMH-HZPDHXFCSA-N 2 2 318.465 2.366 10 0 DEAELP Cc1cn2cc(NC(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)ccc2[nH+]1 ZINC000265711615 402942385 /nfs/dbraw/zinc/94/23/85/402942385.db2.gz LTJWTLRBYAKTPW-HUUCEWRRSA-N 2 2 313.405 2.391 10 0 DEAELP Cc1cn2cc(NC(=O)N[C@@H]3CC[N@H+]4CCCC[C@H]34)ccc2[nH+]1 ZINC000265711615 402942388 /nfs/dbraw/zinc/94/23/88/402942388.db2.gz LTJWTLRBYAKTPW-HUUCEWRRSA-N 2 2 313.405 2.391 10 0 DEAELP Cc1cc(N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)c2cccc(F)c2[nH+]1 ZINC000301729205 403671081 /nfs/dbraw/zinc/67/10/81/403671081.db2.gz WQPXTAIIOABKJS-CVEARBPZSA-N 2 2 301.365 2.202 10 0 DEAELP Cc1cc(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)c2cccc(F)c2[nH+]1 ZINC000301729205 403671087 /nfs/dbraw/zinc/67/10/87/403671087.db2.gz WQPXTAIIOABKJS-CVEARBPZSA-N 2 2 301.365 2.202 10 0 DEAELP Clc1ccc2[nH+]ccc(NC[C@@H]3C[NH+]4CCN3CC4)c2c1 ZINC000301756339 403674358 /nfs/dbraw/zinc/67/43/58/403674358.db2.gz DQCWVUFNWLQNMV-CYBMUJFWSA-N 2 2 302.809 2.300 10 0 DEAELP Clc1ccc2[nH+]ccc(NC[C@@H]3CN4CC[NH+]3CC4)c2c1 ZINC000301756339 403674362 /nfs/dbraw/zinc/67/43/62/403674362.db2.gz DQCWVUFNWLQNMV-CYBMUJFWSA-N 2 2 302.809 2.300 10 0 DEAELP CC(C)CNC(=O)C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000364739639 404523179 /nfs/dbraw/zinc/52/31/79/404523179.db2.gz ABYKXFKURMORRG-QGZVFWFLSA-N 2 2 309.498 2.347 10 0 DEAELP CC(C)CNC(=O)C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000364739639 404523183 /nfs/dbraw/zinc/52/31/83/404523183.db2.gz ABYKXFKURMORRG-QGZVFWFLSA-N 2 2 309.498 2.347 10 0 DEAELP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CCNC(=O)OC(C)(C)C)C1 ZINC000373101853 404528210 /nfs/dbraw/zinc/52/82/10/404528210.db2.gz XUXHRHUCURIVKK-ZDUSSCGKSA-N 2 2 308.426 2.124 10 0 DEAELP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CCNC(=O)OC(C)(C)C)C1 ZINC000373101853 404528219 /nfs/dbraw/zinc/52/82/19/404528219.db2.gz XUXHRHUCURIVKK-ZDUSSCGKSA-N 2 2 308.426 2.124 10 0 DEAELP Brc1ccc2ncc(C[NH2+][C@@H]3CCCC[NH2+]C3)n2c1 ZINC000415072915 404801567 /nfs/dbraw/zinc/80/15/67/404801567.db2.gz XIWPEDBLTBBEOE-GFCCVEGCSA-N 2 2 323.238 2.329 10 0 DEAELP Brc1ccc2[nH+]cc(CN[C@@H]3CCCC[NH2+]C3)n2c1 ZINC000415072915 404801572 /nfs/dbraw/zinc/80/15/72/404801572.db2.gz XIWPEDBLTBBEOE-GFCCVEGCSA-N 2 2 323.238 2.329 10 0 DEAELP COC1([C@@H](C)[NH2+]C[C@@H](Cc2ccccc2)[NH+](C)C)CCOCC1 ZINC000453050709 405279419 /nfs/dbraw/zinc/27/94/19/405279419.db2.gz ADIHHNNKNVJZIE-SJLPKXTDSA-N 2 2 320.477 2.333 10 0 DEAELP c1c2cccnc2oc1C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000449008968 405494929 /nfs/dbraw/zinc/49/49/29/405494929.db2.gz SCWYDUMMUSGNRP-UHFFFAOYSA-N 2 2 314.433 2.041 10 0 DEAELP c1cnn(C2CC([NH2+]C3CC[NH+](Cc4ccncc4)CC3)C2)c1 ZINC000638383414 406738872 /nfs/dbraw/zinc/73/88/72/406738872.db2.gz GBZWIKQSJUMEAL-UHFFFAOYSA-N 2 2 311.433 2.236 10 0 DEAELP CCCNc1nc(N[C@@H]2CC[N@H+](C)C2)c(Br)c[nH+]1 ZINC000130637194 196097813 /nfs/dbraw/zinc/09/78/13/196097813.db2.gz DUPJJAQJAJIHKP-SECBINFHSA-N 2 2 314.231 2.177 10 0 DEAELP CCCNc1nc(N[C@@H]2CC[N@@H+](C)C2)c(Br)c[nH+]1 ZINC000130637194 196097815 /nfs/dbraw/zinc/09/78/15/196097815.db2.gz DUPJJAQJAJIHKP-SECBINFHSA-N 2 2 314.231 2.177 10 0 DEAELP [NH3+]C1CC[NH+]([C@@H]2CCN(C(=O)c3ccc(Cl)s3)C2)CC1 ZINC000130735587 196105500 /nfs/dbraw/zinc/10/55/00/196105500.db2.gz FFPIQHZSHLANQG-LLVKDONJSA-N 2 2 313.854 2.039 10 0 DEAELP CCNc1nc(NCCCC[NH+](C)C)c(Br)c[nH+]1 ZINC000132305638 196243790 /nfs/dbraw/zinc/24/37/90/196243790.db2.gz HWSGHMWJNWAYIB-UHFFFAOYSA-N 2 2 316.247 2.425 10 0 DEAELP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCOc1ccc(Br)cc1 ZINC000358031659 269040821 /nfs/dbraw/zinc/04/08/21/269040821.db2.gz YUARFLIERQFMHM-FZMZJTMJSA-N 2 2 313.239 2.368 10 0 DEAELP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCOc1ccc(Br)cc1 ZINC000358031659 269040822 /nfs/dbraw/zinc/04/08/22/269040822.db2.gz YUARFLIERQFMHM-FZMZJTMJSA-N 2 2 313.239 2.368 10 0 DEAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)C1 ZINC000393917878 269100471 /nfs/dbraw/zinc/10/04/71/269100471.db2.gz YZQMHLWQPVDWBN-QLFBSQMISA-N 2 2 311.470 2.364 10 0 DEAELP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)C1 ZINC000393917878 269100473 /nfs/dbraw/zinc/10/04/73/269100473.db2.gz YZQMHLWQPVDWBN-QLFBSQMISA-N 2 2 311.470 2.364 10 0 DEAELP COCC[NH+]1[C@H](C)CN(c2nc(C)[nH+]c3c2CCCC3)C[C@H]1C ZINC000302120954 274035029 /nfs/dbraw/zinc/03/50/29/274035029.db2.gz XZPUAYQNRXOKKN-ZIAGYGMSSA-N 2 2 318.465 2.209 10 0 DEAELP CCN(CC)C(=O)[C@H](c1ccccc1)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193619217 276092717 /nfs/dbraw/zinc/09/27/17/276092717.db2.gz YRUHTQWYYKNVDT-KSZLIROESA-N 2 2 315.461 2.090 10 0 DEAELP CCN(CC)C(=O)[C@H](c1ccccc1)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193619217 276092719 /nfs/dbraw/zinc/09/27/19/276092719.db2.gz YRUHTQWYYKNVDT-KSZLIROESA-N 2 2 315.461 2.090 10 0 DEAELP CCN(CC)C(=O)[C@H](c1ccccc1)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193619217 276092721 /nfs/dbraw/zinc/09/27/21/276092721.db2.gz YRUHTQWYYKNVDT-KSZLIROESA-N 2 2 315.461 2.090 10 0 DEAELP CCN(CC)C(=O)[C@H](c1ccccc1)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193619217 276092722 /nfs/dbraw/zinc/09/27/22/276092722.db2.gz YRUHTQWYYKNVDT-KSZLIROESA-N 2 2 315.461 2.090 10 0 DEAELP CCC[C@@H](C(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C)[NH+](C)C ZINC000179719280 278853291 /nfs/dbraw/zinc/85/32/91/278853291.db2.gz ABQGAVPALMKGQC-HNNXBMFYSA-N 2 2 307.438 2.396 10 0 DEAELP Cc1[nH]c([C@@H]2C[C@H]3CN(C4CCCC4)C(=O)[C@]34CCC[N@H+]24)c[nH+]1 ZINC000012433609 293375698 /nfs/dbraw/zinc/37/56/98/293375698.db2.gz MCBNDVGZSYGNKO-OWQGQXMQSA-N 2 2 314.433 2.399 10 0 DEAELP Cc1[nH]c([C@@H]2C[C@H]3CN(C4CCCC4)C(=O)[C@]34CCC[N@@H+]24)c[nH+]1 ZINC000012433609 293375702 /nfs/dbraw/zinc/37/57/02/293375702.db2.gz MCBNDVGZSYGNKO-OWQGQXMQSA-N 2 2 314.433 2.399 10 0 DEAELP Cc1[nH+]c2ccccn2c1CN1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000261638239 293486671 /nfs/dbraw/zinc/48/66/71/293486671.db2.gz FKLXXARZVANWCO-MRXNPFEDSA-N 2 2 307.401 2.184 10 0 DEAELP c1ccc([C@H]2CC[C@H](C[NH2+][C@@H](C3CC3)[C@H]3C[NH2+]CCO3)O2)cc1 ZINC000423119713 304856411 /nfs/dbraw/zinc/85/64/11/304856411.db2.gz DINSVBQGIDZOLM-MKXGPGLRSA-N 2 2 316.445 2.263 10 0 DEAELP C[C@H](CCn1cccn1)[NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000328622948 534005458 /nfs/dbraw/zinc/00/54/58/534005458.db2.gz BPSOHQKWMUAPHN-NJAFHUGGSA-N 2 2 313.449 2.339 10 0 DEAELP C[C@H](CCn1cccn1)[NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000328622948 534005466 /nfs/dbraw/zinc/00/54/66/534005466.db2.gz BPSOHQKWMUAPHN-NJAFHUGGSA-N 2 2 313.449 2.339 10 0 DEAELP C[C@H]1CCCN(c2cc(NC[C@@H](C3CC3)[NH+](C)C)nc[nH+]2)C1 ZINC000301979287 534176827 /nfs/dbraw/zinc/17/68/27/534176827.db2.gz HGYFEPWEPSEEGP-ZFWWWQNUSA-N 2 2 303.454 2.465 10 0 DEAELP CCOCCO[C@H]1CC[N@H+](Cc2[nH+]cc(C)c(OC)c2C)C1 ZINC000157781109 520035206 /nfs/dbraw/zinc/03/52/06/520035206.db2.gz LRIZETHCRCIOFX-HNNXBMFYSA-N 2 2 308.422 2.334 10 0 DEAELP CCOCCO[C@H]1CC[N@@H+](Cc2[nH+]cc(C)c(OC)c2C)C1 ZINC000157781109 520035217 /nfs/dbraw/zinc/03/52/17/520035217.db2.gz LRIZETHCRCIOFX-HNNXBMFYSA-N 2 2 308.422 2.334 10 0 DEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@H](O)COC(C)(C)C)C1 ZINC000105922602 522595063 /nfs/dbraw/zinc/59/50/63/522595063.db2.gz GAMGQJJCPOMWPN-CABCVRRESA-N 2 2 309.454 2.258 10 0 DEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@H](O)COC(C)(C)C)C1 ZINC000105922602 522595070 /nfs/dbraw/zinc/59/50/70/522595070.db2.gz GAMGQJJCPOMWPN-CABCVRRESA-N 2 2 309.454 2.258 10 0 DEAELP C[NH2+]C1CC[NH+](Cc2ccc(OC[C@@H]3CCCO3)cc2)CC1 ZINC000262111829 536440167 /nfs/dbraw/zinc/44/01/67/536440167.db2.gz KMRGHWBUVJETSA-SFHVURJKSA-N 2 2 304.434 2.428 10 0 DEAELP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)Nc1cccc(C)c1 ZINC000130796008 527407632 /nfs/dbraw/zinc/40/76/32/527407632.db2.gz LXTAUUAOBJUEAL-UHFFFAOYSA-N 2 2 300.406 2.461 10 0 DEAELP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)Nc1cccc(C)c1 ZINC000130796008 527407644 /nfs/dbraw/zinc/40/76/44/527407644.db2.gz LXTAUUAOBJUEAL-UHFFFAOYSA-N 2 2 300.406 2.461 10 0 DEAELP COc1ccc(NC(=O)C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000247315589 536768271 /nfs/dbraw/zinc/76/82/71/536768271.db2.gz VSYADXDWQOVEOF-WMLDXEAASA-N 2 2 317.433 2.050 10 0 DEAELP COc1ccc(NC(=O)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000247315589 536768277 /nfs/dbraw/zinc/76/82/77/536768277.db2.gz VSYADXDWQOVEOF-WMLDXEAASA-N 2 2 317.433 2.050 10 0 DEAELP COc1ccc(NC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000247315589 536768283 /nfs/dbraw/zinc/76/82/83/536768283.db2.gz VSYADXDWQOVEOF-WMLDXEAASA-N 2 2 317.433 2.050 10 0 DEAELP COc1ccc(NC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000247315589 536768288 /nfs/dbraw/zinc/76/82/88/536768288.db2.gz VSYADXDWQOVEOF-WMLDXEAASA-N 2 2 317.433 2.050 10 0 DEAELP C[C@@H]1C[N@H+](Cc2cnc(NC(=O)C(C)(C)C)s2)CC[C@H]1[NH3+] ZINC000725272078 563577439 /nfs/dbraw/zinc/57/74/39/563577439.db2.gz LYFVFQSVPLBSPT-ZYHUDNBSSA-N 2 2 310.467 2.297 10 0 DEAELP C[C@@H]1C[N@@H+](Cc2cnc(NC(=O)C(C)(C)C)s2)CC[C@H]1[NH3+] ZINC000725272078 563577440 /nfs/dbraw/zinc/57/74/40/563577440.db2.gz LYFVFQSVPLBSPT-ZYHUDNBSSA-N 2 2 310.467 2.297 10 0 DEAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1c[nH]nc1-c1ccc(C)o1 ZINC000069172120 625416224 /nfs/dbraw/zinc/41/62/24/625416224.db2.gz WYDFFLISIWAMJW-OAHLLOKOSA-N 2 2 318.421 2.179 10 0 DEAELP COCC[N@H+]1CCC[C@@H]1C[NH2+]Cc1c[nH]nc1-c1ccc(C)o1 ZINC000069172120 625416229 /nfs/dbraw/zinc/41/62/29/625416229.db2.gz WYDFFLISIWAMJW-OAHLLOKOSA-N 2 2 318.421 2.179 10 0 DEAELP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC([NH+](C)CC(F)F)CC1 ZINC000746321977 638335302 /nfs/dbraw/zinc/33/53/02/638335302.db2.gz RYOOQROXSGPEQQ-CQSZACIVSA-N 2 2 317.424 2.049 10 0 DEAELP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC([NH+](C)CC(F)F)CC1 ZINC000746321977 638335304 /nfs/dbraw/zinc/33/53/04/638335304.db2.gz RYOOQROXSGPEQQ-CQSZACIVSA-N 2 2 317.424 2.049 10 0 DEAELP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000746321977 638335311 /nfs/dbraw/zinc/33/53/11/638335311.db2.gz RYOOQROXSGPEQQ-CQSZACIVSA-N 2 2 317.424 2.049 10 0 DEAELP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000746321977 638335314 /nfs/dbraw/zinc/33/53/14/638335314.db2.gz RYOOQROXSGPEQQ-CQSZACIVSA-N 2 2 317.424 2.049 10 0 DEAELP C[NH+](C)CC1([NH2+]C[C@H]2CCCN2C(=O)OC(C)(C)C)CCC1 ZINC000393570548 685452737 /nfs/dbraw/zinc/45/27/37/685452737.db2.gz VKFLLCOPMYLZQD-CQSZACIVSA-N 2 2 311.470 2.460 10 0 DEAELP c1cc(OCC[NH+]2CCCC2)ccc1C[NH2+]CC[NH+]1CCCC1 ZINC000073649767 796156568 /nfs/dbraw/zinc/15/65/68/796156568.db2.gz YLFIRRBBKLWADN-UHFFFAOYSA-N 3 2 317.477 2.347 10 0 DEAELP CC(C)(C)OC(=O)NCC[N@@H+]1CCCC[C@H](n2cc[nH+]c2)C1 ZINC000616603935 362896443 /nfs/dbraw/zinc/89/64/43/362896443.db2.gz YSLRIODBVVMFON-AWEZNQCLSA-N 2 2 308.426 2.435 10 0 DEAELP CC(C)(C)OC(=O)NCC[N@H+]1CCCC[C@H](n2cc[nH+]c2)C1 ZINC000616603935 362896446 /nfs/dbraw/zinc/89/64/46/362896446.db2.gz YSLRIODBVVMFON-AWEZNQCLSA-N 2 2 308.426 2.435 10 0 DEAELP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000220526722 539728124 /nfs/dbraw/zinc/72/81/24/539728124.db2.gz RJTJJZDKBWHOJU-KBPBESRZSA-N 2 2 306.454 2.141 10 0 DEAELP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000220526722 539728128 /nfs/dbraw/zinc/72/81/28/539728128.db2.gz RJTJJZDKBWHOJU-KBPBESRZSA-N 2 2 306.454 2.141 10 0 DEAELP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000220526588 539728182 /nfs/dbraw/zinc/72/81/82/539728182.db2.gz RJTJJZDKBWHOJU-UONOGXRCSA-N 2 2 306.454 2.141 10 0 DEAELP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000220526588 539728185 /nfs/dbraw/zinc/72/81/85/539728185.db2.gz RJTJJZDKBWHOJU-UONOGXRCSA-N 2 2 306.454 2.141 10 0 DEAELP CC[C@H](C)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000080599501 192171150 /nfs/dbraw/zinc/17/11/50/192171150.db2.gz RPVFOWXAZPIWMM-HNNXBMFYSA-N 2 2 310.486 2.034 10 0 DEAELP C[C@H]1OCC[C@]1(C[NH3+])[N@H+](C)Cc1cccc(Br)c1 ZINC000147945654 186042760 /nfs/dbraw/zinc/04/27/60/186042760.db2.gz KKDMBLKZHZWMQQ-BXUZGUMPSA-N 2 2 313.239 2.387 10 0 DEAELP C[C@H]1OCC[C@]1(C[NH3+])[N@@H+](C)Cc1cccc(Br)c1 ZINC000147945654 186042761 /nfs/dbraw/zinc/04/27/61/186042761.db2.gz KKDMBLKZHZWMQQ-BXUZGUMPSA-N 2 2 313.239 2.387 10 0 DEAELP CC[C@@]1(C(=O)c2c(Cl)cnn2CC[NH+](C)C)CCC[NH2+]C1 ZINC000164236436 186153068 /nfs/dbraw/zinc/15/30/68/186153068.db2.gz GDUFBGQKUYHBSG-OAHLLOKOSA-N 2 2 312.845 2.061 10 0 DEAELP CCc1nnc(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)n1C ZINC000185709223 356210571 /nfs/dbraw/zinc/21/05/71/356210571.db2.gz HQILWGUZDBRMOB-KGLIPLIRSA-N 2 2 305.470 2.120 10 0 DEAELP CCc1nnc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)n1C ZINC000185709223 356210573 /nfs/dbraw/zinc/21/05/73/356210573.db2.gz HQILWGUZDBRMOB-KGLIPLIRSA-N 2 2 305.470 2.120 10 0 DEAELP CCc1nnc(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)n1C ZINC000185709208 356210703 /nfs/dbraw/zinc/21/07/03/356210703.db2.gz HQILWGUZDBRMOB-KBPBESRZSA-N 2 2 305.470 2.120 10 0 DEAELP CCc1nnc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)n1C ZINC000185709208 356210708 /nfs/dbraw/zinc/21/07/08/356210708.db2.gz HQILWGUZDBRMOB-KBPBESRZSA-N 2 2 305.470 2.120 10 0 DEAELP C[C@@H]1CCC[C@@]([NH3+])(C[NH2+]Cc2ccc(S(C)(=O)=O)cc2)C1 ZINC000080934499 192202127 /nfs/dbraw/zinc/20/21/27/192202127.db2.gz SDFWYGIEIAICAO-CJNGLKHVSA-N 2 2 310.463 2.087 10 0 DEAELP c1cn2c(cccc2C[NH+]2CCC(Nc3cccnn3)CC2)[nH+]1 ZINC000180079548 199115198 /nfs/dbraw/zinc/11/51/98/199115198.db2.gz KBUVMKQXNSLOPW-UHFFFAOYSA-N 2 2 308.389 2.201 10 0 DEAELP CCN(CC)C(=O)C[C@@H](C[NH3+])[N@H+](Cc1ccsc1)C1CC1 ZINC000091322762 193039742 /nfs/dbraw/zinc/03/97/42/193039742.db2.gz YGIZGDLOOACLMR-HNNXBMFYSA-N 2 2 309.479 2.298 10 0 DEAELP CCN(CC)C(=O)C[C@@H](C[NH3+])[N@@H+](Cc1ccsc1)C1CC1 ZINC000091322762 193039745 /nfs/dbraw/zinc/03/97/45/193039745.db2.gz YGIZGDLOOACLMR-HNNXBMFYSA-N 2 2 309.479 2.298 10 0 DEAELP CC[NH2+][C@@H](Cc1c(Cl)c(CC)nn1C)C(C)(C)[NH+](C)C ZINC000091528984 193069385 /nfs/dbraw/zinc/06/93/85/193069385.db2.gz DBLNSNKTSGYHPM-ZDUSSCGKSA-N 2 2 300.878 2.497 10 0 DEAELP CCS(=O)(=O)CCC[C@@H]([NH2+]C)C1([NH+](C)C)CCC(C)CC1 ZINC000091649046 193085184 /nfs/dbraw/zinc/08/51/84/193085184.db2.gz ZVKBOYIPDRSANY-HWOWSKLDSA-N 2 2 318.527 2.300 10 0 DEAELP CC[C@H]([NH3+])Cc1cc(Cl)ccc1OC[C@H]1C[N@H+](C)CCO1 ZINC000092060657 193149988 /nfs/dbraw/zinc/14/99/88/193149988.db2.gz VYEZJKZGXCUSFW-LSDHHAIUSA-N 2 2 312.841 2.329 10 0 DEAELP CC[C@H]([NH3+])Cc1cc(Cl)ccc1OC[C@H]1C[N@@H+](C)CCO1 ZINC000092060657 193149989 /nfs/dbraw/zinc/14/99/89/193149989.db2.gz VYEZJKZGXCUSFW-LSDHHAIUSA-N 2 2 312.841 2.329 10 0 DEAELP c1cc(-c2noc(C[N@@H+]3CCC[C@H]4C[NH2+]CC[C@H]43)n2)cs1 ZINC000631886691 368443216 /nfs/dbraw/zinc/44/32/16/368443216.db2.gz LGRLRTWGACNOGZ-WCQYABFASA-N 2 2 304.419 2.372 10 0 DEAELP c1cc(-c2noc(C[N@H+]3CCC[C@H]4C[NH2+]CC[C@H]43)n2)cs1 ZINC000631886691 368443220 /nfs/dbraw/zinc/44/32/20/368443220.db2.gz LGRLRTWGACNOGZ-WCQYABFASA-N 2 2 304.419 2.372 10 0 DEAELP Brc1cncc(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)c1 ZINC000631890148 368445043 /nfs/dbraw/zinc/44/50/43/368445043.db2.gz PAVYSCGIXOVPTH-JSGCOSHPSA-N 2 2 310.239 2.418 10 0 DEAELP Brc1cncc(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)c1 ZINC000631890148 368445048 /nfs/dbraw/zinc/44/50/48/368445048.db2.gz PAVYSCGIXOVPTH-JSGCOSHPSA-N 2 2 310.239 2.418 10 0 DEAELP C[NH2+][C@@H](c1ccc(Cl)c(Cl)c1)[C@H]1C[N@H+](C)CCN1C ZINC000093894637 193325652 /nfs/dbraw/zinc/32/56/52/193325652.db2.gz ZSMHPYVTHVDKNE-KGLIPLIRSA-N 2 2 302.249 2.500 10 0 DEAELP C[NH2+][C@@H](c1ccc(Cl)c(Cl)c1)[C@H]1C[N@@H+](C)CCN1C ZINC000093894637 193325654 /nfs/dbraw/zinc/32/56/54/193325654.db2.gz ZSMHPYVTHVDKNE-KGLIPLIRSA-N 2 2 302.249 2.500 10 0 DEAELP CC[NH2+][C@H](Cc1[nH+]cc(C)c(OC)c1C)[C@H]1CSCCO1 ZINC000094503460 193374674 /nfs/dbraw/zinc/37/46/74/193374674.db2.gz ZDDDAWZLVGYGBO-HUUCEWRRSA-N 2 2 310.463 2.360 10 0 DEAELP C[N@H+](CCOC(C)(C)C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863582 194150283 /nfs/dbraw/zinc/15/02/83/194150283.db2.gz KQWLWARPHHUNOY-UHFFFAOYSA-N 2 2 308.470 2.094 10 0 DEAELP C[N@@H+](CCOC(C)(C)C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863582 194150286 /nfs/dbraw/zinc/15/02/86/194150286.db2.gz KQWLWARPHHUNOY-UHFFFAOYSA-N 2 2 308.470 2.094 10 0 DEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)Nc2nccs2)C1 ZINC000105897209 194162919 /nfs/dbraw/zinc/16/29/19/194162919.db2.gz PFUSTKVTTGSCGB-GFCCVEGCSA-N 2 2 319.434 2.178 10 0 DEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)Nc2nccs2)C1 ZINC000105897209 194162921 /nfs/dbraw/zinc/16/29/21/194162921.db2.gz PFUSTKVTTGSCGB-GFCCVEGCSA-N 2 2 319.434 2.178 10 0 DEAELP C[NH2+][C@H](C)c1cccc(S(=O)(=O)Nc2cc[nH+]cc2C)c1 ZINC000111043898 194385813 /nfs/dbraw/zinc/38/58/13/194385813.db2.gz JRFHBMNAULXDQE-GFCCVEGCSA-N 2 2 305.403 2.471 10 0 DEAELP COCCC[N@H+](C)[C@H](C[NH3+])c1cc(Br)cs1 ZINC000062029497 184202205 /nfs/dbraw/zinc/20/22/05/184202205.db2.gz WJTXDVLUMZVFEG-SNVBAGLBSA-N 2 2 307.257 2.479 10 0 DEAELP COCCC[N@@H+](C)[C@H](C[NH3+])c1cc(Br)cs1 ZINC000062029497 184202206 /nfs/dbraw/zinc/20/22/06/184202206.db2.gz WJTXDVLUMZVFEG-SNVBAGLBSA-N 2 2 307.257 2.479 10 0 DEAELP CCO[C@@H](C[NH3+])C[N@H+](C)Cc1csc(Br)c1 ZINC000062739742 184251902 /nfs/dbraw/zinc/25/19/02/184251902.db2.gz QSIOKPVLGISQSM-JTQLQIEISA-N 2 2 307.257 2.306 10 0 DEAELP CCO[C@@H](C[NH3+])C[N@@H+](C)Cc1csc(Br)c1 ZINC000062739742 184251905 /nfs/dbraw/zinc/25/19/05/184251905.db2.gz QSIOKPVLGISQSM-JTQLQIEISA-N 2 2 307.257 2.306 10 0 DEAELP CCO[C@H](C[NH3+])C[N@H+](C)Cc1ccccc1Br ZINC000062739661 184252022 /nfs/dbraw/zinc/25/20/22/184252022.db2.gz JCZRHDADRBYOMY-GFCCVEGCSA-N 2 2 301.228 2.245 10 0 DEAELP CCO[C@H](C[NH3+])C[N@@H+](C)Cc1ccccc1Br ZINC000062739661 184252024 /nfs/dbraw/zinc/25/20/24/184252024.db2.gz JCZRHDADRBYOMY-GFCCVEGCSA-N 2 2 301.228 2.245 10 0 DEAELP c1csc(C[NH+]2C[C@@H]3CC[N@@H+](C[C@H]4CCCO4)C[C@@H]3C2)n1 ZINC000247929913 257113798 /nfs/dbraw/zinc/11/37/98/257113798.db2.gz QIDVHCDNZYXKDL-RRFJBIMHSA-N 2 2 307.463 2.076 10 0 DEAELP c1csc(C[NH+]2C[C@@H]3CC[N@H+](C[C@H]4CCCO4)C[C@@H]3C2)n1 ZINC000247929913 257113800 /nfs/dbraw/zinc/11/38/00/257113800.db2.gz QIDVHCDNZYXKDL-RRFJBIMHSA-N 2 2 307.463 2.076 10 0 DEAELP c1csc(C[N@H+]2C[C@@H]3CC[NH+](C[C@H]4CCCO4)C[C@@H]3C2)n1 ZINC000247929913 257113801 /nfs/dbraw/zinc/11/38/01/257113801.db2.gz QIDVHCDNZYXKDL-RRFJBIMHSA-N 2 2 307.463 2.076 10 0 DEAELP c1csc(C[N@@H+]2C[C@@H]3CC[NH+](C[C@H]4CCCO4)C[C@@H]3C2)n1 ZINC000247929913 257113803 /nfs/dbraw/zinc/11/38/03/257113803.db2.gz QIDVHCDNZYXKDL-RRFJBIMHSA-N 2 2 307.463 2.076 10 0 DEAELP COC[C@H](C)C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000189825086 335063646 /nfs/dbraw/zinc/06/36/46/335063646.db2.gz SWHHLNAZELPHOR-MRXNPFEDSA-N 2 2 305.466 2.303 10 0 DEAELP COC[C@H](C)C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000189825086 335063648 /nfs/dbraw/zinc/06/36/48/335063648.db2.gz SWHHLNAZELPHOR-MRXNPFEDSA-N 2 2 305.466 2.303 10 0 DEAELP c1nc(C2OCCO2)sc1C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000377621714 133336945 /nfs/dbraw/zinc/33/69/45/133336945.db2.gz GHJGEDZTLKNGPC-UHFFFAOYSA-N 2 2 323.462 2.295 10 0 DEAELP O=C(N[C@@H]1CCn2cc[nH+]c2C1)c1cccc(C[NH+]2CCCC2)c1 ZINC000548310887 285716309 /nfs/dbraw/zinc/71/63/09/285716309.db2.gz ZJJSGOZDYOQYSQ-QGZVFWFLSA-N 2 2 324.428 2.224 10 0 DEAELP C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000247075301 145126012 /nfs/dbraw/zinc/12/60/12/145126012.db2.gz WTHDMKDBVVRVSN-NCOADZHNSA-N 2 2 309.498 2.438 10 0 DEAELP C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000247075301 145126013 /nfs/dbraw/zinc/12/60/13/145126013.db2.gz WTHDMKDBVVRVSN-NCOADZHNSA-N 2 2 309.498 2.438 10 0 DEAELP C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000247075301 145126014 /nfs/dbraw/zinc/12/60/14/145126014.db2.gz WTHDMKDBVVRVSN-NCOADZHNSA-N 2 2 309.498 2.438 10 0 DEAELP C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000247075301 145126015 /nfs/dbraw/zinc/12/60/15/145126015.db2.gz WTHDMKDBVVRVSN-NCOADZHNSA-N 2 2 309.498 2.438 10 0 DEAELP Cc1ccc(CNC(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000248169092 145149570 /nfs/dbraw/zinc/14/95/70/145149570.db2.gz UKEHDTAKSQNQMS-ROUUACIJSA-N 2 2 315.461 2.027 10 0 DEAELP Cc1ccc(CNC(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000248169092 145149571 /nfs/dbraw/zinc/14/95/71/145149571.db2.gz UKEHDTAKSQNQMS-ROUUACIJSA-N 2 2 315.461 2.027 10 0 DEAELP Cc1ccc(CNC(=O)C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000248169092 145149573 /nfs/dbraw/zinc/14/95/73/145149573.db2.gz UKEHDTAKSQNQMS-ROUUACIJSA-N 2 2 315.461 2.027 10 0 DEAELP Cc1ccc(CNC(=O)C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000248169092 145149574 /nfs/dbraw/zinc/14/95/74/145149574.db2.gz UKEHDTAKSQNQMS-ROUUACIJSA-N 2 2 315.461 2.027 10 0 DEAELP C[C@@H](C(=O)N1CCCc2ccccc21)[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261711427 145219145 /nfs/dbraw/zinc/21/91/45/145219145.db2.gz MMXWUDPTUZIXTQ-YOEHRIQHSA-N 2 2 315.461 2.414 10 0 DEAELP C[C@@H](C(=O)N1CCCc2ccccc21)[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261711427 145219146 /nfs/dbraw/zinc/21/91/46/145219146.db2.gz MMXWUDPTUZIXTQ-YOEHRIQHSA-N 2 2 315.461 2.414 10 0 DEAELP Clc1cccc([C@@H](CNC2=[NH+]CCCN2)[NH+]2CCCC2)c1 ZINC000261771238 145223981 /nfs/dbraw/zinc/22/39/81/145223981.db2.gz MTADAXHSVBXSOA-OAHLLOKOSA-N 2 2 306.841 2.416 10 0 DEAELP Cc1ccccc1C[C@@H](C)NC(=O)C[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261875548 145235946 /nfs/dbraw/zinc/23/59/46/145235946.db2.gz UBTUEXJYGQYXTF-WBVHZDCISA-N 2 2 317.477 2.101 10 0 DEAELP Cc1ccccc1C[C@@H](C)NC(=O)C[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261875548 145235947 /nfs/dbraw/zinc/23/59/47/145235947.db2.gz UBTUEXJYGQYXTF-WBVHZDCISA-N 2 2 317.477 2.101 10 0 DEAELP CCN(CC)c1ccc(N[C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)c[nH+]1 ZINC000261894332 145238524 /nfs/dbraw/zinc/23/85/24/145238524.db2.gz GYMFVIRCDLZNPQ-BBWFWOEESA-N 2 2 318.465 2.497 10 0 DEAELP CCOc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000261891355 145238743 /nfs/dbraw/zinc/23/87/43/145238743.db2.gz VOKRWOYEKRQYBH-XJKSGUPXSA-N 2 2 319.449 2.472 10 0 DEAELP CCOc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000261891355 145238746 /nfs/dbraw/zinc/23/87/46/145238746.db2.gz VOKRWOYEKRQYBH-XJKSGUPXSA-N 2 2 319.449 2.472 10 0 DEAELP C[N@H+](Cc1nccs1)[C@H]1CC12CC[NH+](CC(C)(C)[NH3+])CC2 ZINC000261941794 145244967 /nfs/dbraw/zinc/24/49/67/145244967.db2.gz MUHALBCOCKPXJD-ZDUSSCGKSA-N 3 2 308.495 2.167 10 0 DEAELP C[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH+](CC(C)(C)[NH3+])CC2 ZINC000261941794 145244968 /nfs/dbraw/zinc/24/49/68/145244968.db2.gz MUHALBCOCKPXJD-ZDUSSCGKSA-N 3 2 308.495 2.167 10 0 DEAELP C[N@H+](Cc1nccs1)[C@H]1CC12CCN(CC(C)(C)[NH3+])CC2 ZINC000261941794 145244969 /nfs/dbraw/zinc/24/49/69/145244969.db2.gz MUHALBCOCKPXJD-ZDUSSCGKSA-N 2 2 308.495 2.167 10 0 DEAELP C[N@@H+](Cc1nccs1)[C@H]1CC12CCN(CC(C)(C)[NH3+])CC2 ZINC000261941794 145244970 /nfs/dbraw/zinc/24/49/70/145244970.db2.gz MUHALBCOCKPXJD-ZDUSSCGKSA-N 2 2 308.495 2.167 10 0 DEAELP Cn1c2ccc(C[N@@H+]3CC[C@H]([NH3+])C(C)(C)C3)cc2sc1=O ZINC000262026675 145254669 /nfs/dbraw/zinc/25/46/69/145254669.db2.gz WPPYJWHEJRWSRP-AWEZNQCLSA-N 2 2 305.447 2.159 10 0 DEAELP Cn1c2ccc(C[N@H+]3CC[C@H]([NH3+])C(C)(C)C3)cc2sc1=O ZINC000262026675 145254671 /nfs/dbraw/zinc/25/46/71/145254671.db2.gz WPPYJWHEJRWSRP-AWEZNQCLSA-N 2 2 305.447 2.159 10 0 DEAELP Cn1cc[nH+]c1CN(Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000262124756 145264008 /nfs/dbraw/zinc/26/40/08/145264008.db2.gz MTFGHPLORDEKPP-ZDUSSCGKSA-N 2 2 317.462 2.021 10 0 DEAELP CCO[C@H]1C[C@@H]([N@H+](C)Cc2noc(C[NH3+])n2)C12CCCCC2 ZINC000262277362 145273192 /nfs/dbraw/zinc/27/31/92/145273192.db2.gz UAVDLSJXMRPMKA-OLZOCXBDSA-N 2 2 308.426 2.088 10 0 DEAELP CCO[C@H]1C[C@@H]([N@@H+](C)Cc2noc(C[NH3+])n2)C12CCCCC2 ZINC000262277362 145273194 /nfs/dbraw/zinc/27/31/94/145273194.db2.gz UAVDLSJXMRPMKA-OLZOCXBDSA-N 2 2 308.426 2.088 10 0 DEAELP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(-c2ccccc2)cc1F ZINC000263223036 145338042 /nfs/dbraw/zinc/33/80/42/145338042.db2.gz MFAMYEGCZQZLFR-SJLPKXTDSA-N 2 2 300.377 2.163 10 0 DEAELP C[C@@H]1C[N@@H+](C2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)CCO1 ZINC000111236543 401702672 /nfs/dbraw/zinc/70/26/72/401702672.db2.gz JFCGUTYHIKGPBK-OAHLLOKOSA-N 2 2 316.445 2.307 10 0 DEAELP C[C@@H]1C[N@H+](C2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)CCO1 ZINC000111236543 401702674 /nfs/dbraw/zinc/70/26/74/401702674.db2.gz JFCGUTYHIKGPBK-OAHLLOKOSA-N 2 2 316.445 2.307 10 0 DEAELP C[C@H](O)C[NH+]1CCC(CN(C)c2[nH]c3ccccc3[nH+]2)CC1 ZINC000134951475 401921644 /nfs/dbraw/zinc/92/16/44/401921644.db2.gz WZBMTMCFGCZTIK-ZDUSSCGKSA-N 2 2 302.422 2.092 10 0 DEAELP CCOC(=O)c1c[nH+]c2c(C)c(C)ccc2c1N1CC[NH2+]CC1 ZINC000053994919 402061035 /nfs/dbraw/zinc/06/10/35/402061035.db2.gz QMSGNWYISLIJKK-UHFFFAOYSA-N 2 2 313.401 2.438 10 0 DEAELP C[NH+](C)[C@@H]1CC[C@@H](NC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)C1 ZINC000092329769 402003834 /nfs/dbraw/zinc/00/38/34/402003834.db2.gz FUQRRJZYHWRYQD-MGPQQGTHSA-N 2 2 305.426 2.129 10 0 DEAELP C[C@@H]1C[C@@H]([NH+](C)CC(=O)Nc2ccc(F)c(F)c2)CC[N@@H+]1C ZINC000123941360 402155476 /nfs/dbraw/zinc/15/54/76/402155476.db2.gz BITYTFXOQZILDK-YPMHNXCESA-N 2 2 311.376 2.318 10 0 DEAELP C[C@@H]1C[C@@H]([NH+](C)CC(=O)Nc2ccc(F)c(F)c2)CC[N@H+]1C ZINC000123941360 402155477 /nfs/dbraw/zinc/15/54/77/402155477.db2.gz BITYTFXOQZILDK-YPMHNXCESA-N 2 2 311.376 2.318 10 0 DEAELP C[C@@H]1C[C@@H]([N@H+](C)CC(=O)Nc2ccc(F)c(F)c2)CC[NH+]1C ZINC000123941360 402155479 /nfs/dbraw/zinc/15/54/79/402155479.db2.gz BITYTFXOQZILDK-YPMHNXCESA-N 2 2 311.376 2.318 10 0 DEAELP C[C@@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2ccc(F)c(F)c2)CC[NH+]1C ZINC000123941360 402155481 /nfs/dbraw/zinc/15/54/81/402155481.db2.gz BITYTFXOQZILDK-YPMHNXCESA-N 2 2 311.376 2.318 10 0 DEAELP C[N@H+](CC[C@@H]1CCC[NH+]1C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000125161138 402216656 /nfs/dbraw/zinc/21/66/56/402216656.db2.gz MEAQRIBBLMIZCF-DOTOQJQBSA-N 2 2 301.434 2.208 10 0 DEAELP C[N@@H+](CC[C@@H]1CCC[NH+]1C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000125161138 402216657 /nfs/dbraw/zinc/21/66/57/402216657.db2.gz MEAQRIBBLMIZCF-DOTOQJQBSA-N 2 2 301.434 2.208 10 0 DEAELP C[NH+](CC[C@@H]1CCC[N@@H+]1C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000125161138 402216659 /nfs/dbraw/zinc/21/66/59/402216659.db2.gz MEAQRIBBLMIZCF-DOTOQJQBSA-N 2 2 301.434 2.208 10 0 DEAELP C[NH+](CC[C@@H]1CCC[N@H+]1C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000125161138 402216661 /nfs/dbraw/zinc/21/66/61/402216661.db2.gz MEAQRIBBLMIZCF-DOTOQJQBSA-N 2 2 301.434 2.208 10 0 DEAELP COc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)cc(OC)c1OC ZINC000154559934 402218289 /nfs/dbraw/zinc/21/82/89/402218289.db2.gz ICHYZJOQUMLDGK-JSGCOSHPSA-N 2 2 308.422 2.457 10 0 DEAELP COc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)cc(OC)c1OC ZINC000154559934 402218291 /nfs/dbraw/zinc/21/82/91/402218291.db2.gz ICHYZJOQUMLDGK-JSGCOSHPSA-N 2 2 308.422 2.457 10 0 DEAELP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000226012021 402326061 /nfs/dbraw/zinc/32/60/61/402326061.db2.gz KHNIQSYRDROYBK-GJZGRUSLSA-N 2 2 313.486 2.467 10 0 DEAELP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000226012021 402326062 /nfs/dbraw/zinc/32/60/62/402326062.db2.gz KHNIQSYRDROYBK-GJZGRUSLSA-N 2 2 313.486 2.467 10 0 DEAELP CCO[C@@H]1C[C@H]([NH2+]Cc2cccc3[nH+]ccn32)C12CCOCC2 ZINC000185670455 402368283 /nfs/dbraw/zinc/36/82/83/402368283.db2.gz CSLFGWRXXMDSSV-JKSUJKDBSA-N 2 2 315.417 2.398 10 0 DEAELP C[C@@H](c1ccccc1Cl)[NH+]1CCN(C(=O)C(C)(C)[NH3+])CC1 ZINC000237471362 402408712 /nfs/dbraw/zinc/40/87/12/402408712.db2.gz VQCMCJRTIDZNDD-LBPRGKRZSA-N 2 2 309.841 2.283 10 0 DEAELP CC[N@H+](C)C[C@H]1CC[NH+]([C@H]2CCN(c3ccc(C)cc3)C2=O)C1 ZINC000245462657 402463344 /nfs/dbraw/zinc/46/33/44/402463344.db2.gz XAXHSPNCIPVSMU-AEFFLSMTSA-N 2 2 315.461 2.374 10 0 DEAELP CC[N@@H+](C)C[C@H]1CC[NH+]([C@H]2CCN(c3ccc(C)cc3)C2=O)C1 ZINC000245462657 402463347 /nfs/dbraw/zinc/46/33/47/402463347.db2.gz XAXHSPNCIPVSMU-AEFFLSMTSA-N 2 2 315.461 2.374 10 0 DEAELP CC[NH+](C)C[C@H]1CC[N@@H+]([C@H]2CCN(c3ccc(C)cc3)C2=O)C1 ZINC000245462657 402463349 /nfs/dbraw/zinc/46/33/49/402463349.db2.gz XAXHSPNCIPVSMU-AEFFLSMTSA-N 2 2 315.461 2.374 10 0 DEAELP CC[NH+](C)C[C@H]1CC[N@H+]([C@H]2CCN(c3ccc(C)cc3)C2=O)C1 ZINC000245462657 402463351 /nfs/dbraw/zinc/46/33/51/402463351.db2.gz XAXHSPNCIPVSMU-AEFFLSMTSA-N 2 2 315.461 2.374 10 0 DEAELP C([NH2+][C@@H]1C[C@@H]2OCCC[C@H]12)C1(C[NH+]2CCOCC2)CCCCC1 ZINC000187285820 402491849 /nfs/dbraw/zinc/49/18/49/402491849.db2.gz LPAVMJWJDIKSOE-KURKYZTESA-N 2 2 322.493 2.426 10 0 DEAELP CC(C)Cn1cc[nH+]c1CNC(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000178809723 402542884 /nfs/dbraw/zinc/54/28/84/402542884.db2.gz QMHDGIIYCMXBAT-WMLDXEAASA-N 2 2 314.433 2.491 10 0 DEAELP COc1cccc([C@@H](C)[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000246982330 402552327 /nfs/dbraw/zinc/55/23/27/402552327.db2.gz JRFGCHLHSHTJFO-CVEARBPZSA-N 2 2 304.434 2.410 10 0 DEAELP COc1cccc([C@@H](C)[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000246982330 402552329 /nfs/dbraw/zinc/55/23/29/402552329.db2.gz JRFGCHLHSHTJFO-CVEARBPZSA-N 2 2 304.434 2.410 10 0 DEAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2cncs2)C1 ZINC000190488580 402604996 /nfs/dbraw/zinc/60/49/96/402604996.db2.gz NLELJTMFBQHGDJ-HNNXBMFYSA-N 2 2 302.447 2.492 10 0 DEAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2cncs2)C1 ZINC000190488580 402605000 /nfs/dbraw/zinc/60/50/00/402605000.db2.gz NLELJTMFBQHGDJ-HNNXBMFYSA-N 2 2 302.447 2.492 10 0 DEAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](Cc2cncs2)C1 ZINC000190488580 402605004 /nfs/dbraw/zinc/60/50/04/402605004.db2.gz NLELJTMFBQHGDJ-HNNXBMFYSA-N 2 2 302.447 2.492 10 0 DEAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](Cc2cncs2)C1 ZINC000190488580 402605006 /nfs/dbraw/zinc/60/50/06/402605006.db2.gz NLELJTMFBQHGDJ-HNNXBMFYSA-N 2 2 302.447 2.492 10 0 DEAELP CCO[C@@H]1C[C@H]([NH2+][C@H]2C[N@@H+](C(C)C)C[C@@H]2C)C12CCOCC2 ZINC000248908001 402614162 /nfs/dbraw/zinc/61/41/62/402614162.db2.gz BLVFFQZHDYYOHI-LUKYLMHMSA-N 2 2 310.482 2.279 10 0 DEAELP CCO[C@@H]1C[C@H]([NH2+][C@H]2C[N@H+](C(C)C)C[C@@H]2C)C12CCOCC2 ZINC000248908001 402614166 /nfs/dbraw/zinc/61/41/66/402614166.db2.gz BLVFFQZHDYYOHI-LUKYLMHMSA-N 2 2 310.482 2.279 10 0 DEAELP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1[nH+]ccc(OC)c1OC ZINC000190909578 402630979 /nfs/dbraw/zinc/63/09/79/402630979.db2.gz HKOBBROTSNNUOC-UONOGXRCSA-N 2 2 305.422 2.157 10 0 DEAELP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1[nH+]ccc(OC)c1OC ZINC000190909578 402630980 /nfs/dbraw/zinc/63/09/80/402630980.db2.gz HKOBBROTSNNUOC-UONOGXRCSA-N 2 2 305.422 2.157 10 0 DEAELP CCOC(=O)C[C@H](C)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000182666564 402706952 /nfs/dbraw/zinc/70/69/52/402706952.db2.gz BWTXHYGDDJJUPN-ZDUSSCGKSA-N 2 2 302.378 2.041 10 0 DEAELP CCOC(=O)C[C@H](C)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000182666564 402706953 /nfs/dbraw/zinc/70/69/53/402706953.db2.gz BWTXHYGDDJJUPN-ZDUSSCGKSA-N 2 2 302.378 2.041 10 0 DEAELP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1nnc(C)n1CC ZINC000191502854 402674123 /nfs/dbraw/zinc/67/41/23/402674123.db2.gz ZFYJEGQFBBGVTG-UHFFFAOYSA-N 2 2 304.442 2.278 10 0 DEAELP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1nnc(C)n1CC ZINC000191502854 402674126 /nfs/dbraw/zinc/67/41/26/402674126.db2.gz ZFYJEGQFBBGVTG-UHFFFAOYSA-N 2 2 304.442 2.278 10 0 DEAELP C[NH+]1CCC(CNC(=O)NCC(C)(C)C)([NH+]2CCCCC2)CC1 ZINC000174302841 402735738 /nfs/dbraw/zinc/73/57/38/402735738.db2.gz AOEIRVOPSACOJL-UHFFFAOYSA-N 2 2 324.513 2.282 10 0 DEAELP CC(C)C[C@H](C[NH+](C)C)NC(=O)NCCCNc1cccc[nH+]1 ZINC000194065153 402783476 /nfs/dbraw/zinc/78/34/76/402783476.db2.gz JXJJVLVJDYLMTQ-OAHLLOKOSA-N 2 2 321.469 2.159 10 0 DEAELP CCC(C)(C)NC(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515796 402849025 /nfs/dbraw/zinc/84/90/25/402849025.db2.gz RODDCXKEUCIWGN-CQSZACIVSA-N 2 2 304.438 2.120 10 0 DEAELP CCC(C)(C)NC(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515796 402849026 /nfs/dbraw/zinc/84/90/26/402849026.db2.gz RODDCXKEUCIWGN-CQSZACIVSA-N 2 2 304.438 2.120 10 0 DEAELP Cc1cn2cc(NC(=O)N3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)ccc2[nH+]1 ZINC000333168443 403683981 /nfs/dbraw/zinc/68/39/81/403683981.db2.gz PHDVLZRKBOKQAE-NWANDNLSSA-N 2 2 313.405 2.234 10 0 DEAELP CCO[C@@H]1C[C@H]([NH2+]CC[NH+]2CCCCCC2)C12CCOCC2 ZINC000186226403 286386591 /nfs/dbraw/zinc/38/65/91/286386591.db2.gz AKSVURWGJZTNNH-DLBZAZTESA-N 2 2 310.482 2.426 10 0 DEAELP c1ccc(N2CCC([NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)[nH+]c1 ZINC000337588254 404116100 /nfs/dbraw/zinc/11/61/00/404116100.db2.gz LXBSKBOZEKNDTA-IRXDYDNUSA-N 3 2 300.450 2.267 10 0 DEAELP c1ccc(N2CCC([NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)[nH+]c1 ZINC000337588254 404116106 /nfs/dbraw/zinc/11/61/06/404116106.db2.gz LXBSKBOZEKNDTA-IRXDYDNUSA-N 3 2 300.450 2.267 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCC[C@H]([NH+](C)C)C1)C2 ZINC000364550877 404443421 /nfs/dbraw/zinc/44/34/21/404443421.db2.gz IJIKYEYOBFLYFV-KGLIPLIRSA-N 2 2 318.465 2.191 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCC[C@H]([NH+](C)C)C1)CC2 ZINC000364550877 404443432 /nfs/dbraw/zinc/44/34/32/404443432.db2.gz IJIKYEYOBFLYFV-KGLIPLIRSA-N 2 2 318.465 2.191 10 0 DEAELP c1cc(OC[C@@H]2CCCO2)ccc1C[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000415065289 404799993 /nfs/dbraw/zinc/79/99/93/404799993.db2.gz FVDMXKUJSRFIPP-AEFFLSMTSA-N 2 2 304.434 2.476 10 0 DEAELP COC(=O)[C@H](C1CC1)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361074273 404904554 /nfs/dbraw/zinc/90/45/54/404904554.db2.gz STGAEBLEKLGSND-INIZCTEOSA-N 2 2 305.422 2.327 10 0 DEAELP C[C@@]1(C[NH2+][C@H]2CCCNC(=O)C2)CCC[N@@H+]1Cc1ccccc1 ZINC000397967859 405060612 /nfs/dbraw/zinc/06/06/12/405060612.db2.gz YRHJANRJGZLBDC-HKUYNNGSSA-N 2 2 315.461 2.299 10 0 DEAELP C[C@@]1(C[NH2+][C@H]2CCCNC(=O)C2)CCC[N@H+]1Cc1ccccc1 ZINC000397967859 405060616 /nfs/dbraw/zinc/06/06/16/405060616.db2.gz YRHJANRJGZLBDC-HKUYNNGSSA-N 2 2 315.461 2.299 10 0 DEAELP c1cn(Cc2ccccc2)c(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)n1 ZINC000494423044 405695064 /nfs/dbraw/zinc/69/50/64/405695064.db2.gz DHNSAURXRRRFOX-MRXNPFEDSA-N 2 2 307.401 2.233 10 0 DEAELP CCn1nncc1C[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000459324383 405854825 /nfs/dbraw/zinc/85/48/25/405854825.db2.gz KJQVDYBDYWKHFK-MRXNPFEDSA-N 2 2 305.470 2.242 10 0 DEAELP CCn1nncc1C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000459324383 405854835 /nfs/dbraw/zinc/85/48/35/405854835.db2.gz KJQVDYBDYWKHFK-MRXNPFEDSA-N 2 2 305.470 2.242 10 0 DEAELP c1cc(OCC[NH+]2CCOCC2)ccc1C[N@@H+]1CC[C@@H]1C1CC1 ZINC000639223484 405985750 /nfs/dbraw/zinc/98/57/50/405985750.db2.gz VPYDGKXCKSUAHF-LJQANCHMSA-N 2 2 316.445 2.382 10 0 DEAELP c1cc(OCC[NH+]2CCOCC2)ccc1C[N@H+]1CC[C@@H]1C1CC1 ZINC000639223484 405985756 /nfs/dbraw/zinc/98/57/56/405985756.db2.gz VPYDGKXCKSUAHF-LJQANCHMSA-N 2 2 316.445 2.382 10 0 DEAELP Cn1ncc(Br)c1C[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000487331636 406225315 /nfs/dbraw/zinc/22/53/15/406225315.db2.gz YGLLFRPMSFDNDN-WDEREUQCSA-N 2 2 315.259 2.145 10 0 DEAELP c1ncn(-c2ccc(C[NH2+]C[C@H]3CC[N@@H+]3C3CCCC3)cc2)n1 ZINC000527809058 406758936 /nfs/dbraw/zinc/75/89/36/406758936.db2.gz SEHLZXKZMOCYEG-GOSISDBHSA-N 2 2 311.433 2.374 10 0 DEAELP c1ncn(-c2ccc(C[NH2+]C[C@H]3CC[N@H+]3C3CCCC3)cc2)n1 ZINC000527809058 406758943 /nfs/dbraw/zinc/75/89/43/406758943.db2.gz SEHLZXKZMOCYEG-GOSISDBHSA-N 2 2 311.433 2.374 10 0 DEAELP CC(C)(C)[C@H]([NH3+])CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000136867196 196554859 /nfs/dbraw/zinc/55/48/59/196554859.db2.gz BPEDWKWRJXFICW-CQSZACIVSA-N 2 2 309.479 2.156 10 0 DEAELP Cc1cccc(C)c1OC[C@@H](O)C[NH+]1CCC([NH+](C)C)CC1 ZINC000193811963 424871506 /nfs/dbraw/zinc/87/15/06/424871506.db2.gz PVBHRQDVESGHGY-KRWDZBQOSA-N 2 2 306.450 2.069 10 0 DEAELP CN(C)c1noc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)n1 ZINC000192768216 267744830 /nfs/dbraw/zinc/74/48/30/267744830.db2.gz AONZVSDSZPPRND-UHFFFAOYSA-N 2 2 321.469 2.224 10 0 DEAELP Brc1ccc2ncc(C[NH2+]CCC[NH+]3CCC3)n2c1 ZINC000514664068 269326964 /nfs/dbraw/zinc/32/69/64/269326964.db2.gz JBLIULQSBDAJRW-UHFFFAOYSA-N 2 2 323.238 2.282 10 0 DEAELP CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CCn3cc[nH+]c3)C[C@H]12 ZINC000185997357 277203035 /nfs/dbraw/zinc/20/30/35/277203035.db2.gz YNSFERASDMJBGD-QLFBSQMISA-N 2 2 320.437 2.118 10 0 DEAELP CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](CCn3cc[nH+]c3)C[C@H]12 ZINC000185997357 277203036 /nfs/dbraw/zinc/20/30/36/277203036.db2.gz YNSFERASDMJBGD-QLFBSQMISA-N 2 2 320.437 2.118 10 0 DEAELP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc3c(c2)sc(=O)n3C)C1 ZINC000192625785 527817262 /nfs/dbraw/zinc/81/72/62/527817262.db2.gz QHJRLOJYXKKKJR-AWEZNQCLSA-N 2 2 319.474 2.374 10 0 DEAELP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc3c(c2)sc(=O)n3C)C1 ZINC000192625785 527817269 /nfs/dbraw/zinc/81/72/69/527817269.db2.gz QHJRLOJYXKKKJR-AWEZNQCLSA-N 2 2 319.474 2.374 10 0 DEAELP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc3c(c2)sc(=O)n3C)C1 ZINC000192625785 527817273 /nfs/dbraw/zinc/81/72/73/527817273.db2.gz QHJRLOJYXKKKJR-AWEZNQCLSA-N 2 2 319.474 2.374 10 0 DEAELP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc3c(c2)sc(=O)n3C)C1 ZINC000192625785 527817279 /nfs/dbraw/zinc/81/72/79/527817279.db2.gz QHJRLOJYXKKKJR-AWEZNQCLSA-N 2 2 319.474 2.374 10 0 DEAELP CC(C)(C)c1nnc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)s1 ZINC000261978204 534926923 /nfs/dbraw/zinc/92/69/23/534926923.db2.gz RIXIQTGFXKHCCW-JHJVBQTASA-N 2 2 324.494 2.082 10 0 DEAELP CCc1[nH+]c2ccccc2n1CC(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000261742141 536159140 /nfs/dbraw/zinc/15/91/40/536159140.db2.gz INJKMYFUMHGGAI-ZIAGYGMSSA-N 2 2 314.433 2.185 10 0 DEAELP C[C@]1(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CC[NH2+]C1 ZINC000262033359 637057896 /nfs/dbraw/zinc/05/78/96/637057896.db2.gz OGGWFLLRUZPKRC-YJBOKZPZSA-N 3 2 302.466 2.398 10 0 DEAELP C[C@]1(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CC[NH2+]C1 ZINC000262033359 637057900 /nfs/dbraw/zinc/05/79/00/637057900.db2.gz OGGWFLLRUZPKRC-YJBOKZPZSA-N 3 2 302.466 2.398 10 0 DEAELP C[C@]1(CN2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CC[NH2+]C1 ZINC000262033359 637057901 /nfs/dbraw/zinc/05/79/01/637057901.db2.gz OGGWFLLRUZPKRC-YJBOKZPZSA-N 2 2 302.466 2.398 10 0 DEAELP Cn1cc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)c(Br)n1 ZINC000712459046 792188456 /nfs/dbraw/zinc/18/84/56/792188456.db2.gz BUGNAWAXNYYQPE-LLVKDONJSA-N 2 2 315.259 2.004 10 0 DEAELP Cn1cc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c(Br)n1 ZINC000712459046 792188461 /nfs/dbraw/zinc/18/84/61/792188461.db2.gz BUGNAWAXNYYQPE-LLVKDONJSA-N 2 2 315.259 2.004 10 0 DEAELP C[C@H]1C[C@H]([NH2+]CCn2cc[nH+]c2)CN(C(=O)OC(C)(C)C)C1 ZINC000401726743 801846221 /nfs/dbraw/zinc/84/62/21/801846221.db2.gz MDZYZROFROPMHM-KBPBESRZSA-N 2 2 308.426 2.118 10 0 DEAELP c1cn(CCCC[NH2+]Cc2ccc(N3CCOCC3)cc2)c[nH+]1 ZINC000079923673 1080907963 /nfs/dbraw/zinc/90/79/63/1080907963.db2.gz SSMRVBOAJGVTLW-UHFFFAOYSA-N 2 2 314.433 2.290 10 0 DEAELP CC[NH+](CC)CCNC(=O)CCc1c(C)[nH+]c2ccccn21 ZINC000096771810 185387044 /nfs/dbraw/zinc/38/70/44/185387044.db2.gz RNRSCQXATULXKQ-UHFFFAOYSA-N 2 2 302.422 2.033 10 0 DEAELP COc1ccc(Br)cc1C[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000358102841 536639030 /nfs/dbraw/zinc/63/90/30/536639030.db2.gz WRPPZHVEQMKRMW-ZWNOBZJWSA-N 2 2 313.239 2.497 10 0 DEAELP COc1ccc(Br)c(C[NH2+]C[C@H]2CC[N@H+](C)C2)c1 ZINC000087787576 185231619 /nfs/dbraw/zinc/23/16/19/185231619.db2.gz UKEGOPQLLKKYTK-LLVKDONJSA-N 2 2 313.239 2.499 10 0 DEAELP COc1ccc(Br)c(C[NH2+]C[C@H]2CC[N@@H+](C)C2)c1 ZINC000087787576 185231620 /nfs/dbraw/zinc/23/16/20/185231620.db2.gz UKEGOPQLLKKYTK-LLVKDONJSA-N 2 2 313.239 2.499 10 0 DEAELP CC(C)C[C@H](C[NH+](C)C)NC(=O)NCc1[nH+]ccn1CC(C)C ZINC000173999447 282192248 /nfs/dbraw/zinc/19/22/48/282192248.db2.gz HBIDPLSRLISSGW-OAHLLOKOSA-N 2 2 323.485 2.315 10 0 DEAELP CC[C@H]([NH3+])[C@@H](c1sccc1C)[N@@H+]1CC[C@H](NC(=O)OC)C1 ZINC000133627673 186001012 /nfs/dbraw/zinc/00/10/12/186001012.db2.gz VQMRDIVSLBQQKI-AVGNSLFASA-N 2 2 311.451 2.265 10 0 DEAELP CC[C@H]([NH3+])[C@@H](c1sccc1C)[N@H+]1CC[C@H](NC(=O)OC)C1 ZINC000133627673 186001014 /nfs/dbraw/zinc/00/10/14/186001014.db2.gz VQMRDIVSLBQQKI-AVGNSLFASA-N 2 2 311.451 2.265 10 0 DEAELP C[C@H]1OCC[C@]1(C[NH3+])[N@H+](C)Cc1ccc(Br)cc1 ZINC000147944806 186042775 /nfs/dbraw/zinc/04/27/75/186042775.db2.gz QGFDTSMVRCFSIN-BXUZGUMPSA-N 2 2 313.239 2.387 10 0 DEAELP C[C@H]1OCC[C@]1(C[NH3+])[N@@H+](C)Cc1ccc(Br)cc1 ZINC000147944806 186042776 /nfs/dbraw/zinc/04/27/76/186042776.db2.gz QGFDTSMVRCFSIN-BXUZGUMPSA-N 2 2 313.239 2.387 10 0 DEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2cccc(OC)c2)[C@H](C)C1 ZINC000174775328 198383201 /nfs/dbraw/zinc/38/32/01/198383201.db2.gz AVDKHRUMLQZBEC-PBHICJAKSA-N 2 2 319.449 2.296 10 0 DEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2cccc(OC)c2)[C@H](C)C1 ZINC000174775328 198383202 /nfs/dbraw/zinc/38/32/02/198383202.db2.gz AVDKHRUMLQZBEC-PBHICJAKSA-N 2 2 319.449 2.296 10 0 DEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2cccc(OC)c2)[C@H](C)C1 ZINC000174775328 198383204 /nfs/dbraw/zinc/38/32/04/198383204.db2.gz AVDKHRUMLQZBEC-PBHICJAKSA-N 2 2 319.449 2.296 10 0 DEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2cccc(OC)c2)[C@H](C)C1 ZINC000174775328 198383206 /nfs/dbraw/zinc/38/32/06/198383206.db2.gz AVDKHRUMLQZBEC-PBHICJAKSA-N 2 2 319.449 2.296 10 0 DEAELP CCn1c(C)nnc1C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185693310 356208811 /nfs/dbraw/zinc/20/88/11/356208811.db2.gz IETQDATXFXFODV-ZFWWWQNUSA-N 2 2 305.470 2.349 10 0 DEAELP CCn1c(C)nnc1C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185693310 356208815 /nfs/dbraw/zinc/20/88/15/356208815.db2.gz IETQDATXFXFODV-ZFWWWQNUSA-N 2 2 305.470 2.349 10 0 DEAELP Cc1nn(C)c(Cl)c1C[N@H+](C)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328655435 356466916 /nfs/dbraw/zinc/46/69/16/356466916.db2.gz YKKOFDLJMSWSPB-LBPRGKRZSA-N 2 2 307.829 2.273 10 0 DEAELP Cc1nn(C)c(Cl)c1C[N@@H+](C)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328655435 356466919 /nfs/dbraw/zinc/46/69/19/356466919.db2.gz YKKOFDLJMSWSPB-LBPRGKRZSA-N 2 2 307.829 2.273 10 0 DEAELP C[NH+](C)CC[C@H](NC(=O)[C@H]1CCCn2cc[nH+]c21)C(C)(C)C ZINC000081755674 192319739 /nfs/dbraw/zinc/31/97/39/192319739.db2.gz PADQUUXSZUEPPT-KBPBESRZSA-N 2 2 306.454 2.243 10 0 DEAELP O=C(Nc1ccc2[nH+]ccn2c1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000606580302 361021493 /nfs/dbraw/zinc/02/14/93/361021493.db2.gz IWUOHCUFSZSNET-AWEZNQCLSA-N 2 2 310.361 2.400 10 0 DEAELP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CC2(C1)CC(F)(F)C2 ZINC000677734325 541623186 /nfs/dbraw/zinc/62/31/86/541623186.db2.gz UJEKOVHXOGFSES-OAHLLOKOSA-N 2 2 310.388 2.210 10 0 DEAELP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CC2(C1)CC(F)(F)C2 ZINC000677734325 541623188 /nfs/dbraw/zinc/62/31/88/541623188.db2.gz UJEKOVHXOGFSES-OAHLLOKOSA-N 2 2 310.388 2.210 10 0 DEAELP c1ccc(-c2noc(CC[N@@H+]3CCC[C@@H]4C[NH2+]CC[C@H]43)n2)cc1 ZINC000631886120 368441543 /nfs/dbraw/zinc/44/15/43/368441543.db2.gz FXIXDTLOETZCDI-HZPDHXFCSA-N 2 2 312.417 2.353 10 0 DEAELP c1ccc(-c2noc(CC[N@H+]3CCC[C@@H]4C[NH2+]CC[C@H]43)n2)cc1 ZINC000631886120 368441551 /nfs/dbraw/zinc/44/15/51/368441551.db2.gz FXIXDTLOETZCDI-HZPDHXFCSA-N 2 2 312.417 2.353 10 0 DEAELP CCc1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)o1 ZINC000093147424 193208804 /nfs/dbraw/zinc/20/88/04/193208804.db2.gz OVKAZPMNGLESNY-MRXNPFEDSA-N 2 2 305.466 2.444 10 0 DEAELP CCc1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)o1 ZINC000093147424 193208806 /nfs/dbraw/zinc/20/88/06/193208806.db2.gz OVKAZPMNGLESNY-MRXNPFEDSA-N 2 2 305.466 2.444 10 0 DEAELP COc1c(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c(C)nn1C ZINC000093683685 193288533 /nfs/dbraw/zinc/28/85/33/193288533.db2.gz QPGVOBIXJKPCAC-HNNXBMFYSA-N 2 2 306.454 2.045 10 0 DEAELP COc1c(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c(C)nn1C ZINC000093683685 193288535 /nfs/dbraw/zinc/28/85/35/193288535.db2.gz QPGVOBIXJKPCAC-HNNXBMFYSA-N 2 2 306.454 2.045 10 0 DEAELP C[NH2+][C@H](c1ccc(Cl)c(OC)c1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000094009081 193338714 /nfs/dbraw/zinc/33/87/14/193338714.db2.gz MQQHZLQQZGIFDK-DAXOMENPSA-N 2 2 310.825 2.472 10 0 DEAELP C[NH2+][C@H](c1ccc(Cl)c(OC)c1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000094009081 193338716 /nfs/dbraw/zinc/33/87/16/193338716.db2.gz MQQHZLQQZGIFDK-DAXOMENPSA-N 2 2 310.825 2.472 10 0 DEAELP CC[NH2+][C@H](Cc1ccc(F)cc1Cl)[C@@H]1C[N@H+](C)CCN1C ZINC000093895016 193325129 /nfs/dbraw/zinc/32/51/29/193325129.db2.gz KEQVPKLEMWCCAE-CVEARBPZSA-N 2 2 313.848 2.246 10 0 DEAELP CC[NH2+][C@H](Cc1ccc(F)cc1Cl)[C@@H]1C[N@@H+](C)CCN1C ZINC000093895016 193325131 /nfs/dbraw/zinc/32/51/31/193325131.db2.gz KEQVPKLEMWCCAE-CVEARBPZSA-N 2 2 313.848 2.246 10 0 DEAELP [NH3+]CCc1cccc(Br)c1OCCn1cc[nH+]c1 ZINC000042412651 183266052 /nfs/dbraw/zinc/26/60/52/183266052.db2.gz DAHNNVRDSDUIGM-UHFFFAOYSA-N 2 2 310.195 2.226 10 0 DEAELP Cc1cc(NS(=O)(=O)[C@@H]2CCC[NH2+]C2)c2ccccc2[nH+]1 ZINC000042341383 183255799 /nfs/dbraw/zinc/25/57/99/183255799.db2.gz TYLXXVFJQYHLMV-GFCCVEGCSA-N 2 2 305.403 2.037 10 0 DEAELP COCC[N@H+](C)[C@H](c1ccc(Br)cc1)[C@H](C)[NH3+] ZINC000042954363 183321792 /nfs/dbraw/zinc/32/17/92/183321792.db2.gz YKLXJYZCEPAQLP-GWCFXTLKSA-N 2 2 301.228 2.416 10 0 DEAELP COCC[N@@H+](C)[C@H](c1ccc(Br)cc1)[C@H](C)[NH3+] ZINC000042954363 183321796 /nfs/dbraw/zinc/32/17/96/183321796.db2.gz YKLXJYZCEPAQLP-GWCFXTLKSA-N 2 2 301.228 2.416 10 0 DEAELP C[C@H]([NH3+])[C@@H](N1CC[NH+](Cc2ccccc2)CC1)C(F)(F)F ZINC000043376590 183357162 /nfs/dbraw/zinc/35/71/62/183357162.db2.gz FRLOJWOZFIMWLG-GXTWGEPZSA-N 2 2 301.356 2.082 10 0 DEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cccc(C(N)=O)c2)C1 ZINC000105897513 194162337 /nfs/dbraw/zinc/16/23/37/194162337.db2.gz BHUNLIQZQINFGQ-MRXNPFEDSA-N 2 2 312.417 2.382 10 0 DEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cccc(C(N)=O)c2)C1 ZINC000105897513 194162338 /nfs/dbraw/zinc/16/23/38/194162338.db2.gz BHUNLIQZQINFGQ-MRXNPFEDSA-N 2 2 312.417 2.382 10 0 DEAELP CC[NH+](CC)CC1CC[NH+]([C@@H](C(=O)OC)c2cccnc2)CC1 ZINC000533460411 284784992 /nfs/dbraw/zinc/78/49/92/284784992.db2.gz UJHRSRYCBXZGKO-QGZVFWFLSA-N 2 2 319.449 2.350 10 0 DEAELP CC[NH2+][C@H]1CCCC[C@@H]1C[NH+]1CCN(c2nccs2)CC1 ZINC000060743417 184155461 /nfs/dbraw/zinc/15/54/61/184155461.db2.gz XXANTIFXPYCVTI-CABCVRRESA-N 2 2 308.495 2.433 10 0 DEAELP COCCC[N@H+](C)[C@H](C[NH3+])c1ccc(Br)cc1 ZINC000062029371 184202225 /nfs/dbraw/zinc/20/22/25/184202225.db2.gz RMCJQXWVUZLWPG-CYBMUJFWSA-N 2 2 301.228 2.417 10 0 DEAELP COCCC[N@@H+](C)[C@H](C[NH3+])c1ccc(Br)cc1 ZINC000062029371 184202226 /nfs/dbraw/zinc/20/22/26/184202226.db2.gz RMCJQXWVUZLWPG-CYBMUJFWSA-N 2 2 301.228 2.417 10 0 DEAELP CN(Cc1[nH+]ccn1C)[C@H](C[NH3+])c1ccc(Br)cc1 ZINC000062247623 184225370 /nfs/dbraw/zinc/22/53/70/184225370.db2.gz HTGIZIBTYJEAIM-CYBMUJFWSA-N 2 2 323.238 2.314 10 0 DEAELP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193628760 145087876 /nfs/dbraw/zinc/08/78/76/145087876.db2.gz QALDOOMNEMFQTL-MCIONIFRSA-N 2 2 321.852 2.469 10 0 DEAELP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193628760 145087877 /nfs/dbraw/zinc/08/78/77/145087877.db2.gz QALDOOMNEMFQTL-MCIONIFRSA-N 2 2 321.852 2.469 10 0 DEAELP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193628760 145087879 /nfs/dbraw/zinc/08/78/79/145087879.db2.gz QALDOOMNEMFQTL-MCIONIFRSA-N 2 2 321.852 2.469 10 0 DEAELP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193628760 145087880 /nfs/dbraw/zinc/08/78/80/145087880.db2.gz QALDOOMNEMFQTL-MCIONIFRSA-N 2 2 321.852 2.469 10 0 DEAELP CSc1cccc(NC(=O)[C@H](C)[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1 ZINC000193602109 145087907 /nfs/dbraw/zinc/08/79/07/145087907.db2.gz NFYXGLQLTCTLMU-MELADBBJSA-N 2 2 319.474 2.229 10 0 DEAELP CSc1cccc(NC(=O)[C@H](C)[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1 ZINC000193602109 145087910 /nfs/dbraw/zinc/08/79/10/145087910.db2.gz NFYXGLQLTCTLMU-MELADBBJSA-N 2 2 319.474 2.229 10 0 DEAELP CSc1cccc(NC(=O)[C@H](C)[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c1 ZINC000193602109 145087911 /nfs/dbraw/zinc/08/79/11/145087911.db2.gz NFYXGLQLTCTLMU-MELADBBJSA-N 2 2 319.474 2.229 10 0 DEAELP CSc1cccc(NC(=O)[C@H](C)[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c1 ZINC000193602109 145087913 /nfs/dbraw/zinc/08/79/13/145087913.db2.gz NFYXGLQLTCTLMU-MELADBBJSA-N 2 2 319.474 2.229 10 0 DEAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NCc2ccccc2C)[C@@H](C)C1 ZINC000245443465 145092491 /nfs/dbraw/zinc/09/24/91/145092491.db2.gz XFPRNKMACKXLQG-FUHWJXTLSA-N 2 2 317.477 2.273 10 0 DEAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NCc2ccccc2C)[C@@H](C)C1 ZINC000245443465 145092493 /nfs/dbraw/zinc/09/24/93/145092493.db2.gz XFPRNKMACKXLQG-FUHWJXTLSA-N 2 2 317.477 2.273 10 0 DEAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NCc2ccccc2C)[C@@H](C)C1 ZINC000245443465 145092494 /nfs/dbraw/zinc/09/24/94/145092494.db2.gz XFPRNKMACKXLQG-FUHWJXTLSA-N 2 2 317.477 2.273 10 0 DEAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NCc2ccccc2C)[C@@H](C)C1 ZINC000245443465 145092496 /nfs/dbraw/zinc/09/24/96/145092496.db2.gz XFPRNKMACKXLQG-FUHWJXTLSA-N 2 2 317.477 2.273 10 0 DEAELP Cc1cccc(N2CCC([NH2+][C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)[nH+]1 ZINC000248126672 145148495 /nfs/dbraw/zinc/14/84/95/145148495.db2.gz NZFFQFCIHUSDLO-RDJZCZTQSA-N 3 2 302.466 2.431 10 0 DEAELP Cc1cccc(N2CCC([NH2+][C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)[nH+]1 ZINC000248126672 145148497 /nfs/dbraw/zinc/14/84/97/145148497.db2.gz NZFFQFCIHUSDLO-RDJZCZTQSA-N 3 2 302.466 2.431 10 0 DEAELP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1cnn(C)c1 ZINC000248158489 145149056 /nfs/dbraw/zinc/14/90/56/145149056.db2.gz RSDLQTYKSGQBSR-RLFYNMQTSA-N 2 2 313.449 2.376 10 0 DEAELP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1cnn(C)c1 ZINC000248158489 145149057 /nfs/dbraw/zinc/14/90/57/145149057.db2.gz RSDLQTYKSGQBSR-RLFYNMQTSA-N 2 2 313.449 2.376 10 0 DEAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000262059102 145258333 /nfs/dbraw/zinc/25/83/33/145258333.db2.gz QYJPBRPALSFRRC-NVXWUHKLSA-N 3 2 322.522 2.205 10 0 DEAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000262059102 145258336 /nfs/dbraw/zinc/25/83/36/145258336.db2.gz QYJPBRPALSFRRC-NVXWUHKLSA-N 3 2 322.522 2.205 10 0 DEAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000262059102 145258337 /nfs/dbraw/zinc/25/83/37/145258337.db2.gz QYJPBRPALSFRRC-NVXWUHKLSA-N 3 2 322.522 2.205 10 0 DEAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000262059102 145258341 /nfs/dbraw/zinc/25/83/41/145258341.db2.gz QYJPBRPALSFRRC-NVXWUHKLSA-N 3 2 322.522 2.205 10 0 DEAELP CCOc1ccc(NC(=O)C[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000262566875 145293712 /nfs/dbraw/zinc/29/37/12/145293712.db2.gz WWLGOPORITVKLU-OAHLLOKOSA-N 2 2 305.422 2.083 10 0 DEAELP CCOc1ccc(NC(=O)C[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000262566875 145293713 /nfs/dbraw/zinc/29/37/13/145293713.db2.gz WWLGOPORITVKLU-OAHLLOKOSA-N 2 2 305.422 2.083 10 0 DEAELP CC1=CC[N@H+](CC[NH2+][C@H](C)c2ccc3c(c2)OCC(=O)N3)CC1 ZINC000565497286 292166170 /nfs/dbraw/zinc/16/61/70/292166170.db2.gz PHHUCYGUCGYSDW-CQSZACIVSA-N 2 2 315.417 2.320 10 0 DEAELP CC1=CC[N@@H+](CC[NH2+][C@H](C)c2ccc3c(c2)OCC(=O)N3)CC1 ZINC000565497286 292166171 /nfs/dbraw/zinc/16/61/71/292166171.db2.gz PHHUCYGUCGYSDW-CQSZACIVSA-N 2 2 315.417 2.320 10 0 DEAELP COc1ccc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)c(F)c1 ZINC000151255876 402026208 /nfs/dbraw/zinc/02/62/08/402026208.db2.gz WFFXYGMDUUHWFR-KGLIPLIRSA-N 2 2 310.413 2.332 10 0 DEAELP O[C@@H](C[NH2+][C@@H]1CCCOc2ccc(F)cc21)C[NH+]1CCCCC1 ZINC000151265673 402026975 /nfs/dbraw/zinc/02/69/75/402026975.db2.gz OXIRZMHPOXTCHU-DOTOQJQBSA-N 2 2 322.424 2.476 10 0 DEAELP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc(F)cc1N(C)C ZINC000151320925 402029597 /nfs/dbraw/zinc/02/95/97/402029597.db2.gz LDOSMTFVIZBUHL-GDBMZVCRSA-N 2 2 323.456 2.389 10 0 DEAELP C[C@H](NC(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1)c1cccs1 ZINC000123196148 402115143 /nfs/dbraw/zinc/11/51/43/402115143.db2.gz PBCKJTZFUNWYTI-RDBSUJKOSA-N 2 2 309.479 2.340 10 0 DEAELP C[C@H](NC(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1)c1cccs1 ZINC000123196148 402115145 /nfs/dbraw/zinc/11/51/45/402115145.db2.gz PBCKJTZFUNWYTI-RDBSUJKOSA-N 2 2 309.479 2.340 10 0 DEAELP C[C@H](NC(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1)c1cccs1 ZINC000123196148 402115148 /nfs/dbraw/zinc/11/51/48/402115148.db2.gz PBCKJTZFUNWYTI-RDBSUJKOSA-N 2 2 309.479 2.340 10 0 DEAELP C[C@H](NC(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1)c1cccs1 ZINC000123196148 402115150 /nfs/dbraw/zinc/11/51/50/402115150.db2.gz PBCKJTZFUNWYTI-RDBSUJKOSA-N 2 2 309.479 2.340 10 0 DEAELP COc1ccccc1NC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123285641 402119539 /nfs/dbraw/zinc/11/95/39/402119539.db2.gz WAICJHOTXARACC-ZIAGYGMSSA-N 2 2 305.422 2.048 10 0 DEAELP COc1ccccc1NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123285641 402119541 /nfs/dbraw/zinc/11/95/41/402119541.db2.gz WAICJHOTXARACC-ZIAGYGMSSA-N 2 2 305.422 2.048 10 0 DEAELP COc1ccccc1NC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123285641 402119544 /nfs/dbraw/zinc/11/95/44/402119544.db2.gz WAICJHOTXARACC-ZIAGYGMSSA-N 2 2 305.422 2.048 10 0 DEAELP COc1ccccc1NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123285641 402119547 /nfs/dbraw/zinc/11/95/47/402119547.db2.gz WAICJHOTXARACC-ZIAGYGMSSA-N 2 2 305.422 2.048 10 0 DEAELP Cc1ccccc1CN(C)C(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123496596 402130852 /nfs/dbraw/zinc/13/08/52/402130852.db2.gz RRXRGIQHRSUUES-AEFFLSMTSA-N 2 2 317.477 2.368 10 0 DEAELP Cc1ccccc1CN(C)C(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123496596 402130854 /nfs/dbraw/zinc/13/08/54/402130854.db2.gz RRXRGIQHRSUUES-AEFFLSMTSA-N 2 2 317.477 2.368 10 0 DEAELP Cc1ccccc1CN(C)C(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123496596 402130856 /nfs/dbraw/zinc/13/08/56/402130856.db2.gz RRXRGIQHRSUUES-AEFFLSMTSA-N 2 2 317.477 2.368 10 0 DEAELP Cc1ccccc1CN(C)C(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123496596 402130857 /nfs/dbraw/zinc/13/08/57/402130857.db2.gz RRXRGIQHRSUUES-AEFFLSMTSA-N 2 2 317.477 2.368 10 0 DEAELP C[C@H]1C[C@H]([NH+](C)CC(=O)Nc2ccc(F)c(F)c2)CC[N@@H+]1C ZINC000123941145 402155387 /nfs/dbraw/zinc/15/53/87/402155387.db2.gz BITYTFXOQZILDK-WCQYABFASA-N 2 2 311.376 2.318 10 0 DEAELP C[C@H]1C[C@H]([NH+](C)CC(=O)Nc2ccc(F)c(F)c2)CC[N@H+]1C ZINC000123941145 402155390 /nfs/dbraw/zinc/15/53/90/402155390.db2.gz BITYTFXOQZILDK-WCQYABFASA-N 2 2 311.376 2.318 10 0 DEAELP C[C@H]1C[C@H]([N@H+](C)CC(=O)Nc2ccc(F)c(F)c2)CC[NH+]1C ZINC000123941145 402155392 /nfs/dbraw/zinc/15/53/92/402155392.db2.gz BITYTFXOQZILDK-WCQYABFASA-N 2 2 311.376 2.318 10 0 DEAELP C[C@H]1C[C@H]([N@@H+](C)CC(=O)Nc2ccc(F)c(F)c2)CC[NH+]1C ZINC000123941145 402155395 /nfs/dbraw/zinc/15/53/95/402155395.db2.gz BITYTFXOQZILDK-WCQYABFASA-N 2 2 311.376 2.318 10 0 DEAELP COc1cc([C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCOCC2)ccc1F ZINC000153903776 402179249 /nfs/dbraw/zinc/17/92/49/402179249.db2.gz FWQNUMFXJAGKEC-ZIAGYGMSSA-N 2 2 310.413 2.453 10 0 DEAELP CCOc1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cc1CO ZINC000067982711 402181541 /nfs/dbraw/zinc/18/15/41/402181541.db2.gz IWTOVBUEOMREPM-IBGZPJMESA-N 2 2 318.461 2.495 10 0 DEAELP CCOc1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cc1CO ZINC000067982711 402181542 /nfs/dbraw/zinc/18/15/42/402181542.db2.gz IWTOVBUEOMREPM-IBGZPJMESA-N 2 2 318.461 2.495 10 0 DEAELP CCOc1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)cc1CO ZINC000067982711 402181543 /nfs/dbraw/zinc/18/15/43/402181543.db2.gz IWTOVBUEOMREPM-IBGZPJMESA-N 2 2 318.461 2.495 10 0 DEAELP CCOc1ccc(C[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)cc1CO ZINC000067982711 402181545 /nfs/dbraw/zinc/18/15/45/402181545.db2.gz IWTOVBUEOMREPM-IBGZPJMESA-N 2 2 318.461 2.495 10 0 DEAELP Cc1cc(NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)cc[nH+]1 ZINC000070890214 402266451 /nfs/dbraw/zinc/26/64/51/402266451.db2.gz SZYJYJWINPLGSY-UHFFFAOYSA-N 2 2 324.428 2.146 10 0 DEAELP CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000226012031 402326100 /nfs/dbraw/zinc/32/61/00/402326100.db2.gz KHNIQSYRDROYBK-CABCVRRESA-N 2 2 313.486 2.467 10 0 DEAELP CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000226012031 402326101 /nfs/dbraw/zinc/32/61/01/402326101.db2.gz KHNIQSYRDROYBK-CABCVRRESA-N 2 2 313.486 2.467 10 0 DEAELP C[C@@H](c1ccccc1Cl)[NH+]1CCN(C(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000237501033 402410018 /nfs/dbraw/zinc/41/00/18/402410018.db2.gz KONOIYVJHZRULD-XJKSGUPXSA-N 2 2 321.852 2.297 10 0 DEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1nc(-c2ccco2)no1 ZINC000178286850 402480389 /nfs/dbraw/zinc/48/03/89/402480389.db2.gz QPWQNHLDPCEZHO-CYBMUJFWSA-N 2 2 313.361 2.499 10 0 DEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1nc(-c2ccco2)no1 ZINC000178286850 402480392 /nfs/dbraw/zinc/48/03/92/402480392.db2.gz QPWQNHLDPCEZHO-CYBMUJFWSA-N 2 2 313.361 2.499 10 0 DEAELP COc1c(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(C)nn1C ZINC000246091310 402509069 /nfs/dbraw/zinc/50/90/69/402509069.db2.gz IPBXHHZBYLBSBH-YOEHRIQHSA-N 2 2 318.465 2.186 10 0 DEAELP COc1c(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(C)nn1C ZINC000246091310 402509072 /nfs/dbraw/zinc/50/90/72/402509072.db2.gz IPBXHHZBYLBSBH-YOEHRIQHSA-N 2 2 318.465 2.186 10 0 DEAELP COc1c(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(C)nn1C ZINC000246091310 402509076 /nfs/dbraw/zinc/50/90/76/402509076.db2.gz IPBXHHZBYLBSBH-YOEHRIQHSA-N 2 2 318.465 2.186 10 0 DEAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NCc2sccc2C)[C@@H](C)C1 ZINC000247325583 402563753 /nfs/dbraw/zinc/56/37/53/402563753.db2.gz XYRLCNFSKKXHKM-LSDHHAIUSA-N 2 2 323.506 2.335 10 0 DEAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NCc2sccc2C)[C@@H](C)C1 ZINC000247325583 402563754 /nfs/dbraw/zinc/56/37/54/402563754.db2.gz XYRLCNFSKKXHKM-LSDHHAIUSA-N 2 2 323.506 2.335 10 0 DEAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NCc2sccc2C)[C@@H](C)C1 ZINC000247325583 402563757 /nfs/dbraw/zinc/56/37/57/402563757.db2.gz XYRLCNFSKKXHKM-LSDHHAIUSA-N 2 2 323.506 2.335 10 0 DEAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NCc2sccc2C)[C@@H](C)C1 ZINC000247325583 402563759 /nfs/dbraw/zinc/56/37/59/402563759.db2.gz XYRLCNFSKKXHKM-LSDHHAIUSA-N 2 2 323.506 2.335 10 0 DEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N2C[C@H](C)C[C@@H](C)C2)[C@@H](C)C1 ZINC000246440467 402531236 /nfs/dbraw/zinc/53/12/36/402531236.db2.gz DOOSFPZCKZCRRT-NCOADZHNSA-N 2 2 309.498 2.153 10 0 DEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N2C[C@H](C)C[C@@H](C)C2)[C@@H](C)C1 ZINC000246440467 402531239 /nfs/dbraw/zinc/53/12/39/402531239.db2.gz DOOSFPZCKZCRRT-NCOADZHNSA-N 2 2 309.498 2.153 10 0 DEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N2C[C@H](C)C[C@@H](C)C2)[C@@H](C)C1 ZINC000246440467 402531240 /nfs/dbraw/zinc/53/12/40/402531240.db2.gz DOOSFPZCKZCRRT-NCOADZHNSA-N 2 2 309.498 2.153 10 0 DEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N2C[C@H](C)C[C@@H](C)C2)[C@@H](C)C1 ZINC000246440467 402531241 /nfs/dbraw/zinc/53/12/41/402531241.db2.gz DOOSFPZCKZCRRT-NCOADZHNSA-N 2 2 309.498 2.153 10 0 DEAELP c1nc(N2CCC[N@@H+](C3CC3)CC2)cc(N2CCCCC2)[nH+]1 ZINC000171831493 402626963 /nfs/dbraw/zinc/62/69/63/402626963.db2.gz LCINXVPPDYXRIU-UHFFFAOYSA-N 2 2 301.438 2.141 10 0 DEAELP c1nc(N2CCC[N@H+](C3CC3)CC2)cc(N2CCCCC2)[nH+]1 ZINC000171831493 402626966 /nfs/dbraw/zinc/62/69/66/402626966.db2.gz LCINXVPPDYXRIU-UHFFFAOYSA-N 2 2 301.438 2.141 10 0 DEAELP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3cocn3)c2)CCO1 ZINC000192296017 402721600 /nfs/dbraw/zinc/72/16/00/402721600.db2.gz QLMTVQWOZKEJJA-AWEZNQCLSA-N 2 2 301.390 2.185 10 0 DEAELP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3cocn3)c2)CCO1 ZINC000192296017 402721602 /nfs/dbraw/zinc/72/16/02/402721602.db2.gz QLMTVQWOZKEJJA-AWEZNQCLSA-N 2 2 301.390 2.185 10 0 DEAELP Cc1cc(=O)[nH]c([C@@H](C)[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)n1 ZINC000192598642 402739287 /nfs/dbraw/zinc/73/92/87/402739287.db2.gz GBYGUYOOPBDPBX-ZIAGYGMSSA-N 2 2 313.405 2.381 10 0 DEAELP Cc1cc(=O)[nH]c([C@@H](C)[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)n1 ZINC000192598642 402739289 /nfs/dbraw/zinc/73/92/89/402739289.db2.gz GBYGUYOOPBDPBX-ZIAGYGMSSA-N 2 2 313.405 2.381 10 0 DEAELP C[C@H](CCNC(=O)[C@@H]1CCCn2cc[nH+]c21)[NH+]1CCCCC1 ZINC000183130590 402741962 /nfs/dbraw/zinc/74/19/62/402741962.db2.gz ZIPOSDBWQJGDIR-HUUCEWRRSA-N 2 2 304.438 2.141 10 0 DEAELP c1c(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)nc2ncccn12 ZINC000195515869 402848868 /nfs/dbraw/zinc/84/88/68/402848868.db2.gz OZKKFPKWXYXIOU-AWEZNQCLSA-N 2 2 308.389 2.058 10 0 DEAELP c1c(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)nc2ncccn12 ZINC000195515869 402848869 /nfs/dbraw/zinc/84/88/69/402848869.db2.gz OZKKFPKWXYXIOU-AWEZNQCLSA-N 2 2 308.389 2.058 10 0 DEAELP CCc1nnc(C[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)o1 ZINC000195516229 402849274 /nfs/dbraw/zinc/84/92/74/402849274.db2.gz KAWXCUDQWZILGP-ZDUSSCGKSA-N 2 2 301.394 2.269 10 0 DEAELP CCc1nnc(C[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)o1 ZINC000195516229 402849276 /nfs/dbraw/zinc/84/92/76/402849276.db2.gz KAWXCUDQWZILGP-ZDUSSCGKSA-N 2 2 301.394 2.269 10 0 DEAELP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000333838471 403879480 /nfs/dbraw/zinc/87/94/80/403879480.db2.gz NUALBAZMDVRBML-CABCVRRESA-N 2 2 319.453 2.282 10 0 DEAELP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1c1[nH]c2c([nH+]1)CCCC2 ZINC000329191132 404259450 /nfs/dbraw/zinc/25/94/50/404259450.db2.gz QISVAFBUDNLGJY-GJZGRUSLSA-N 2 2 302.422 2.046 10 0 DEAELP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1c1[nH]c2c([nH+]1)CCCC2 ZINC000329191132 404259453 /nfs/dbraw/zinc/25/94/53/404259453.db2.gz QISVAFBUDNLGJY-GJZGRUSLSA-N 2 2 302.422 2.046 10 0 DEAELP CC(=O)c1ccccc1OCC[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420388363 405341310 /nfs/dbraw/zinc/34/13/10/405341310.db2.gz WUXFJESYXJCLHZ-GOSISDBHSA-N 2 2 302.418 2.344 10 0 DEAELP CC(=O)c1ccccc1OCC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420388363 405341312 /nfs/dbraw/zinc/34/13/12/405341312.db2.gz WUXFJESYXJCLHZ-GOSISDBHSA-N 2 2 302.418 2.344 10 0 DEAELP c1ccc(C[N@@H+]2CCCO[C@H](C[NH+]3CC[C@]34CCOC4)C2)cc1 ZINC000421016992 405430598 /nfs/dbraw/zinc/43/05/98/405430598.db2.gz JPVFPBBLGWESEE-RBUKOAKNSA-N 2 2 316.445 2.142 10 0 DEAELP c1ccc(C[N@H+]2CCCO[C@H](C[NH+]3CC[C@]34CCOC4)C2)cc1 ZINC000421016992 405430600 /nfs/dbraw/zinc/43/06/00/405430600.db2.gz JPVFPBBLGWESEE-RBUKOAKNSA-N 2 2 316.445 2.142 10 0 DEAELP c1ccc(C[NH+]2CCCO[C@H](C[N@@H+]3CC[C@]34CCOC4)C2)cc1 ZINC000421016992 405430603 /nfs/dbraw/zinc/43/06/03/405430603.db2.gz JPVFPBBLGWESEE-RBUKOAKNSA-N 2 2 316.445 2.142 10 0 DEAELP c1ccc(C[NH+]2CCCO[C@H](C[N@H+]3CC[C@]34CCOC4)C2)cc1 ZINC000421016992 405430604 /nfs/dbraw/zinc/43/06/04/405430604.db2.gz JPVFPBBLGWESEE-RBUKOAKNSA-N 2 2 316.445 2.142 10 0 DEAELP C[C@H]([NH2+]C[C@H](C1CC1)[N@H+](C)Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000423060819 405696629 /nfs/dbraw/zinc/69/66/29/405696629.db2.gz JBKMMODPVROYLZ-KFKAGJAMSA-N 3 2 301.478 2.485 10 0 DEAELP C[C@H]([NH2+]C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000423060819 405696637 /nfs/dbraw/zinc/69/66/37/405696637.db2.gz JBKMMODPVROYLZ-KFKAGJAMSA-N 3 2 301.478 2.485 10 0 DEAELP c1ccc2nc(C[N@H+]3CC[C@H](C[NH+]4CCOCC4)C3)ccc2c1 ZINC000129607638 196061818 /nfs/dbraw/zinc/06/18/18/196061818.db2.gz UBJJEXDKKGQFCV-MRXNPFEDSA-N 2 2 311.429 2.389 10 0 DEAELP c1ccc2nc(C[N@@H+]3CC[C@H](C[NH+]4CCOCC4)C3)ccc2c1 ZINC000129607638 196061819 /nfs/dbraw/zinc/06/18/19/196061819.db2.gz UBJJEXDKKGQFCV-MRXNPFEDSA-N 2 2 311.429 2.389 10 0 DEAELP Cc1cc(C(=O)N2CC[C@@H]([NH+]3CCC([NH3+])CC3)C2)sc1C ZINC000130728640 196104452 /nfs/dbraw/zinc/10/44/52/196104452.db2.gz YLQKHTUOSPMEMW-CQSZACIVSA-N 2 2 307.463 2.003 10 0 DEAELP CCNc1nc(N[C@H](C)CC[NH+](C)C)c(Br)c[nH+]1 ZINC000131207995 196149785 /nfs/dbraw/zinc/14/97/85/196149785.db2.gz SMWLKIKOKKWJJK-SECBINFHSA-N 2 2 316.247 2.423 10 0 DEAELP CCNc1nc(NCC(C)(C)[NH+](C)C)c(Br)c[nH+]1 ZINC000131861793 196204546 /nfs/dbraw/zinc/20/45/46/196204546.db2.gz BUFZTWMDFDOCED-UHFFFAOYSA-N 2 2 316.247 2.423 10 0 DEAELP COC[C@@H](C)[C@@H](C[NH3+])[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000131936498 196211848 /nfs/dbraw/zinc/21/18/48/196211848.db2.gz XHXXGZFWECUMHB-CZUORRHYSA-N 2 2 311.857 2.072 10 0 DEAELP CNc1nc(NC[C@@H]2CCC[N@H+](C)C2)c(Br)c[nH+]1 ZINC000131952684 196213265 /nfs/dbraw/zinc/21/32/65/196213265.db2.gz GHGFHWZIOBCDGJ-VIFPVBQESA-N 2 2 314.231 2.035 10 0 DEAELP CNc1nc(NC[C@@H]2CCC[N@@H+](C)C2)c(Br)c[nH+]1 ZINC000131952684 196213267 /nfs/dbraw/zinc/21/32/67/196213267.db2.gz GHGFHWZIOBCDGJ-VIFPVBQESA-N 2 2 314.231 2.035 10 0 DEAELP COC(=O)[C@@H]1C[C@H](c2ccccc2)C[N@H+](CCn2cc[nH+]c2)C1 ZINC000132759263 196281237 /nfs/dbraw/zinc/28/12/37/196281237.db2.gz ZHMFCFYZPFOLMN-DLBZAZTESA-N 2 2 313.401 2.162 10 0 DEAELP COC(=O)[C@@H]1C[C@H](c2ccccc2)C[N@@H+](CCn2cc[nH+]c2)C1 ZINC000132759263 196281239 /nfs/dbraw/zinc/28/12/39/196281239.db2.gz ZHMFCFYZPFOLMN-DLBZAZTESA-N 2 2 313.401 2.162 10 0 DEAELP CC[C@H](CCO)[NH2+][C@H](C[NH3+])c1ccc(F)c(Br)c1 ZINC000134373210 196382735 /nfs/dbraw/zinc/38/27/35/196382735.db2.gz RWFICLKHSOFOIS-ZWNOBZJWSA-N 2 2 319.218 2.339 10 0 DEAELP CC[C@H](CCO)[NH2+][C@H](C[NH3+])c1ccc(Br)cc1 ZINC000134382673 196384969 /nfs/dbraw/zinc/38/49/69/196384969.db2.gz HAZWMKQOVAAAJC-CHWSQXEVSA-N 2 2 301.228 2.200 10 0 DEAELP c1coc(-c2noc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)n2)c1 ZINC000386969318 424912699 /nfs/dbraw/zinc/91/26/99/424912699.db2.gz XXXQQOPMIZSRTP-CHWSQXEVSA-N 2 2 302.378 2.294 10 0 DEAELP c1coc(-c2noc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)n2)c1 ZINC000386969318 424912702 /nfs/dbraw/zinc/91/27/02/424912702.db2.gz XXXQQOPMIZSRTP-CHWSQXEVSA-N 2 2 302.378 2.294 10 0 DEAELP C[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]C[C@H](O)CC(F)(F)F ZINC000307947780 424893305 /nfs/dbraw/zinc/89/33/05/424893305.db2.gz OKBFNDLPNQVBLF-GXTWGEPZSA-N 2 2 304.356 2.410 10 0 DEAELP C[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C[C@H](O)CC(F)(F)F ZINC000307947780 424893306 /nfs/dbraw/zinc/89/33/06/424893306.db2.gz OKBFNDLPNQVBLF-GXTWGEPZSA-N 2 2 304.356 2.410 10 0 DEAELP CCn1cc[nH+]c1CNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000334069184 269014696 /nfs/dbraw/zinc/01/46/96/269014696.db2.gz FVQVOTVVEYIRHT-OAHLLOKOSA-N 2 2 319.453 2.063 10 0 DEAELP C[C@H]1CCCN(c2cc(NC[C@H]3CCC[N@H+](C)C3)nc[nH+]2)C1 ZINC000302004848 534177992 /nfs/dbraw/zinc/17/79/92/534177992.db2.gz ZNSPPTLSUMRVSV-LSDHHAIUSA-N 2 2 303.454 2.467 10 0 DEAELP C[C@H]1CCCN(c2cc(NC[C@H]3CCC[N@@H+](C)C3)nc[nH+]2)C1 ZINC000302004848 534178001 /nfs/dbraw/zinc/17/80/01/534178001.db2.gz ZNSPPTLSUMRVSV-LSDHHAIUSA-N 2 2 303.454 2.467 10 0 DEAELP C[C@H]1CCCN(c2cc(NC[C@H]3CCC[N@H+](C)C3)[nH+]cn2)C1 ZINC000302004848 534178008 /nfs/dbraw/zinc/17/80/08/534178008.db2.gz ZNSPPTLSUMRVSV-LSDHHAIUSA-N 2 2 303.454 2.467 10 0 DEAELP C[C@H]1CCCN(c2cc(NC[C@H]3CCC[N@@H+](C)C3)[nH+]cn2)C1 ZINC000302004848 534178014 /nfs/dbraw/zinc/17/80/14/534178014.db2.gz ZNSPPTLSUMRVSV-LSDHHAIUSA-N 2 2 303.454 2.467 10 0 DEAELP CCC[C@@H](C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1)[NH+](C)C ZINC000162156419 520581022 /nfs/dbraw/zinc/58/10/22/520581022.db2.gz UCITVWDUHGQWDL-RDJZCZTQSA-N 2 2 318.465 2.017 10 0 DEAELP C[NH2+]C1CC[NH+](Cc2ccc(OC)c(OC(F)F)c2)CC1 ZINC000261751929 536440452 /nfs/dbraw/zinc/44/04/52/536440452.db2.gz TYRFXZQCTNRWGQ-UHFFFAOYSA-N 2 2 300.349 2.480 10 0 DEAELP CCN(C(=O)[C@@H](C)[NH+]1CCC2(CC[NH2+]2)CC1)c1ccccc1 ZINC000422625430 529035355 /nfs/dbraw/zinc/03/53/55/529035355.db2.gz BOBQFSXFNWFDKV-OAHLLOKOSA-N 2 2 301.434 2.256 10 0 DEAELP CNC(=O)c1ccc(C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000247794812 536424182 /nfs/dbraw/zinc/42/41/82/536424182.db2.gz ZLXQTFDDLIQUDF-WMLDXEAASA-N 2 2 312.417 2.326 10 0 DEAELP CNC(=O)c1ccc(C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000247794812 536424184 /nfs/dbraw/zinc/42/41/84/536424184.db2.gz ZLXQTFDDLIQUDF-WMLDXEAASA-N 2 2 312.417 2.326 10 0 DEAELP COc1ccc(Br)cc1C[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000358102841 536639027 /nfs/dbraw/zinc/63/90/27/536639027.db2.gz WRPPZHVEQMKRMW-ZWNOBZJWSA-N 2 2 313.239 2.497 10 0 DEAELP CCn1c(C)nn(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1=S ZINC000176080949 624617760 /nfs/dbraw/zinc/61/77/60/624617760.db2.gz RZZUSDOTUBLSGQ-CQSZACIVSA-N 2 2 320.466 2.369 10 0 DEAELP CCn1c(C)nn(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1=S ZINC000176080949 624617761 /nfs/dbraw/zinc/61/77/61/624617761.db2.gz RZZUSDOTUBLSGQ-CQSZACIVSA-N 2 2 320.466 2.369 10 0 DEAELP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc2c(c1)CCO2 ZINC000178518706 635160669 /nfs/dbraw/zinc/16/06/69/635160669.db2.gz MDINVPGACXPEBD-WMLDXEAASA-N 2 2 304.434 2.119 10 0 DEAELP CCOC(=O)[C@@H](F)[C@@H](C)[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000134747526 684229933 /nfs/dbraw/zinc/22/99/33/684229933.db2.gz WNNZOVQBUXHFHT-ABAIWWIYSA-N 2 2 314.376 2.267 10 0 DEAELP C[C@H](C[NH2+][C@@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCC2)[NH+](C)C ZINC000405259808 802045525 /nfs/dbraw/zinc/04/55/25/802045525.db2.gz MOQRENLTRCPJEV-MCIONIFRSA-N 2 2 311.470 2.362 10 0 DEAELP [NH3+]C[C@@]1(Nc2ccccc2Br)CC[N@@H+](C2CC2)C1 ZINC000087914397 185237208 /nfs/dbraw/zinc/23/72/08/185237208.db2.gz NYTFPXZJCFQNDB-AWEZNQCLSA-N 2 2 310.239 2.427 10 0 DEAELP [NH3+]C[C@@]1(Nc2ccccc2Br)CC[N@H+](C2CC2)C1 ZINC000087914397 185237209 /nfs/dbraw/zinc/23/72/09/185237209.db2.gz NYTFPXZJCFQNDB-AWEZNQCLSA-N 2 2 310.239 2.427 10 0 DEAELP CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2C[N@@H+]1Cc1nnc(-c2cccs2)o1 ZINC000090333251 185291522 /nfs/dbraw/zinc/29/15/22/185291522.db2.gz QTMQTDGLOJKJFQ-IJLUTSLNSA-N 2 2 304.419 2.228 10 0 DEAELP CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2C[N@H+]1Cc1nnc(-c2cccs2)o1 ZINC000090333251 185291523 /nfs/dbraw/zinc/29/15/23/185291523.db2.gz QTMQTDGLOJKJFQ-IJLUTSLNSA-N 2 2 304.419 2.228 10 0 DEAELP CC1(C)[C@@H]2C[NH2+]C[C@H]2C[N@@H+]1Cc1nnc(-c2cccs2)o1 ZINC000090338197 185291870 /nfs/dbraw/zinc/29/18/70/185291870.db2.gz LYZGDGFMZWMVSP-WDEREUQCSA-N 2 2 304.419 2.228 10 0 DEAELP CC1(C)[C@@H]2C[NH2+]C[C@H]2C[N@H+]1Cc1nnc(-c2cccs2)o1 ZINC000090338197 185291871 /nfs/dbraw/zinc/29/18/71/185291871.db2.gz LYZGDGFMZWMVSP-WDEREUQCSA-N 2 2 304.419 2.228 10 0 DEAELP CC1(C)[C@H]2C[NH2+]C[C@@H]2C[N@@H+]1Cc1nc(-c2cccs2)no1 ZINC000090337437 185291916 /nfs/dbraw/zinc/29/19/16/185291916.db2.gz SKGUOASUYSUUCA-MNOVXSKESA-N 2 2 304.419 2.228 10 0 DEAELP CC1(C)[C@H]2C[NH2+]C[C@@H]2C[N@H+]1Cc1nc(-c2cccs2)no1 ZINC000090337437 185291917 /nfs/dbraw/zinc/29/19/17/185291917.db2.gz SKGUOASUYSUUCA-MNOVXSKESA-N 2 2 304.419 2.228 10 0 DEAELP CC1(C)[C@H]2C[NH2+]C[C@@H]2C[N@@H+]1Cc1nnc(-c2cccs2)o1 ZINC000090338196 185292008 /nfs/dbraw/zinc/29/20/08/185292008.db2.gz LYZGDGFMZWMVSP-MNOVXSKESA-N 2 2 304.419 2.228 10 0 DEAELP CC1(C)[C@H]2C[NH2+]C[C@@H]2C[N@H+]1Cc1nnc(-c2cccs2)o1 ZINC000090338196 185292009 /nfs/dbraw/zinc/29/20/09/185292009.db2.gz LYZGDGFMZWMVSP-MNOVXSKESA-N 2 2 304.419 2.228 10 0 DEAELP CN(Cc1ccc(Br)cc1)[C@H](C[NH3+])c1c[nH+]cn1C ZINC000090167499 185284788 /nfs/dbraw/zinc/28/47/88/185284788.db2.gz ZYFJHXMEUOZLSH-CYBMUJFWSA-N 2 2 323.238 2.314 10 0 DEAELP CC[C@@H]1CCCCN1C(=O)C[N@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000245432946 282387775 /nfs/dbraw/zinc/38/77/75/282387775.db2.gz OYTUKAFCULEKTI-BBWFWOEESA-N 2 2 309.498 2.440 10 0 DEAELP CC[C@@H]1CCCCN1C(=O)C[N@@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000245432946 282387779 /nfs/dbraw/zinc/38/77/79/282387779.db2.gz OYTUKAFCULEKTI-BBWFWOEESA-N 2 2 309.498 2.440 10 0 DEAELP CC[C@@H]1CCCCN1C(=O)C[NH+](C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000245432946 282387784 /nfs/dbraw/zinc/38/77/84/282387784.db2.gz OYTUKAFCULEKTI-BBWFWOEESA-N 2 2 309.498 2.440 10 0 DEAELP CC[C@@H]1CCCCN1C(=O)C[NH+](C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000245432946 282387789 /nfs/dbraw/zinc/38/77/89/282387789.db2.gz OYTUKAFCULEKTI-BBWFWOEESA-N 2 2 309.498 2.440 10 0 DEAELP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC000162458627 539597351 /nfs/dbraw/zinc/59/73/51/539597351.db2.gz BURWDFXSGOAFBA-UKRRQHHQSA-N 2 2 320.481 2.450 10 0 DEAELP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC000162458627 539597353 /nfs/dbraw/zinc/59/73/53/539597353.db2.gz BURWDFXSGOAFBA-UKRRQHHQSA-N 2 2 320.481 2.450 10 0 DEAELP CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@H](n2cc[nH+]c2)CC1 ZINC000616627010 362900668 /nfs/dbraw/zinc/90/06/68/362900668.db2.gz ATLYWKDHZVUDTP-AWEZNQCLSA-N 2 2 308.426 2.435 10 0 DEAELP CC(C)(C)OC(=O)NCC[N@H+]1CCC[C@H](n2cc[nH+]c2)CC1 ZINC000616627010 362900671 /nfs/dbraw/zinc/90/06/71/362900671.db2.gz ATLYWKDHZVUDTP-AWEZNQCLSA-N 2 2 308.426 2.435 10 0 DEAELP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@@H]2CCCn3cc[nH+]c32)C1 ZINC000080553503 192167191 /nfs/dbraw/zinc/16/71/91/192167191.db2.gz JBWRTLMCYFLZTJ-OWCLPIDISA-N 2 2 318.465 2.245 10 0 DEAELP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)[C@@H]2CCCn3cc[nH+]c32)C1 ZINC000080553503 192167194 /nfs/dbraw/zinc/16/71/94/192167194.db2.gz JBWRTLMCYFLZTJ-OWCLPIDISA-N 2 2 318.465 2.245 10 0 DEAELP [NH3+]C[C@@H]([NH2+]C[C@H]1CCCO1)c1cc(Br)cs1 ZINC000083774353 192383184 /nfs/dbraw/zinc/38/31/84/192383184.db2.gz NBSGKZQJYLGWFH-NXEZZACHSA-N 2 2 305.241 2.279 10 0 DEAELP O=C(c1cccc(-n2cc[nH+]c2)c1)N1CCC[N@@H+](C2CC2)CC1 ZINC000172114084 198041395 /nfs/dbraw/zinc/04/13/95/198041395.db2.gz RQOONNJJMGKNPW-UHFFFAOYSA-N 2 2 310.401 2.183 10 0 DEAELP O=C(c1cccc(-n2cc[nH+]c2)c1)N1CCC[N@H+](C2CC2)CC1 ZINC000172114084 198041396 /nfs/dbraw/zinc/04/13/96/198041396.db2.gz RQOONNJJMGKNPW-UHFFFAOYSA-N 2 2 310.401 2.183 10 0 DEAELP Cc1nc(N2CC[N@@H+]3CCC[C@H]3C2)c(Br)c(C)[nH+]1 ZINC000322792477 539903620 /nfs/dbraw/zinc/90/36/20/539903620.db2.gz AABCFISEJOACHT-NSHDSACASA-N 2 2 311.227 2.140 10 0 DEAELP Cc1nc(N2CC[N@H+]3CCC[C@H]3C2)c(Br)c(C)[nH+]1 ZINC000322792477 539903622 /nfs/dbraw/zinc/90/36/22/539903622.db2.gz AABCFISEJOACHT-NSHDSACASA-N 2 2 311.227 2.140 10 0 DEAELP O[C@@H](C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)C(F)(F)F ZINC000181681818 356090763 /nfs/dbraw/zinc/09/07/63/356090763.db2.gz VJCQORFAGLHTQF-KGLIPLIRSA-N 2 2 308.388 2.498 10 0 DEAELP O[C@@H](C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)C(F)(F)F ZINC000181681818 356090767 /nfs/dbraw/zinc/09/07/67/356090767.db2.gz VJCQORFAGLHTQF-KGLIPLIRSA-N 2 2 308.388 2.498 10 0 DEAELP C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)[C@@H]1c1ccccc1 ZINC000247914432 356320883 /nfs/dbraw/zinc/32/08/83/356320883.db2.gz AUVAELWREBMFRB-BQFCYCMXSA-N 2 2 324.428 2.007 10 0 DEAELP C[N@H+]1CC[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)[C@@H]1c1ccccc1 ZINC000247914432 356320890 /nfs/dbraw/zinc/32/08/90/356320890.db2.gz AUVAELWREBMFRB-BQFCYCMXSA-N 2 2 324.428 2.007 10 0 DEAELP c1cn2c([nH+]1)C[C@H](c1nc(-c3ccn4c[nH+]cc4c3)no1)CC2 ZINC000350297798 356519405 /nfs/dbraw/zinc/51/94/05/356519405.db2.gz FUOFHGNWRBOLEX-GFCCVEGCSA-N 2 2 306.329 2.311 10 0 DEAELP c1ccc(C[NH+]2CCC([NH2+]CCOCC3CCC3)CC2)nc1 ZINC000579779334 357027654 /nfs/dbraw/zinc/02/76/54/357027654.db2.gz KUUHONSWLKFSMT-UHFFFAOYSA-N 2 2 303.450 2.452 10 0 DEAELP O=C(Nc1ccc2[nH+]ccn2c1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000606583967 361022486 /nfs/dbraw/zinc/02/24/86/361022486.db2.gz VPXSRGDHLNECBH-OAHLLOKOSA-N 2 2 313.405 2.426 10 0 DEAELP C[NH+](C)[C@@H](CNC(=O)Nc1ccc2[nH+]ccn2c1)c1ccco1 ZINC000606581397 361023409 /nfs/dbraw/zinc/02/34/09/361023409.db2.gz BPNIVNMFPYKJFN-ZDUSSCGKSA-N 2 2 313.361 2.352 10 0 DEAELP CC[NH2+][C@H](CCCS(C)(=O)=O)C1([NH+](C)C)CCCCC1 ZINC000091647911 193084567 /nfs/dbraw/zinc/08/45/67/193084567.db2.gz XQZPYWQLMSFGPU-CQSZACIVSA-N 2 2 304.500 2.054 10 0 DEAELP CC[NH2+][C@@H](CCCS(=O)(=O)CC)C1([NH+](C)C)CCCC1 ZINC000091637903 193083082 /nfs/dbraw/zinc/08/30/82/193083082.db2.gz CHBMFYAHKLCTEG-AWEZNQCLSA-N 2 2 304.500 2.054 10 0 DEAELP CCC(CC)([C@H](CCCS(=O)(=O)CC)[NH2+]C)[NH+]1CCCC1 ZINC000091635049 193083235 /nfs/dbraw/zinc/08/32/35/193083235.db2.gz RKSNSXLORNAUAM-HNNXBMFYSA-N 2 2 318.527 2.444 10 0 DEAELP CC(=O)N1CC[C@H]([NH2+][C@@H]2CC[C@H](C)[NH2+]C2)c2ccccc2C1 ZINC000629543337 367241730 /nfs/dbraw/zinc/24/17/30/367241730.db2.gz YRZGSXWLWVUFJZ-XCRHUMRWSA-N 2 2 301.434 2.210 10 0 DEAELP CCCn1c(C)nnc1C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245715320 284129052 /nfs/dbraw/zinc/12/90/52/284129052.db2.gz UAZCHPVOYOOQIJ-HIFRSBDPSA-N 2 2 302.426 2.276 10 0 DEAELP CCCn1c(C)nnc1C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245715320 284129054 /nfs/dbraw/zinc/12/90/54/284129054.db2.gz UAZCHPVOYOOQIJ-HIFRSBDPSA-N 2 2 302.426 2.276 10 0 DEAELP Cn1c[nH+]cc1[C@H]1CNC(=[NH2+])N1c1ccccc1Br ZINC000093382750 193240480 /nfs/dbraw/zinc/24/04/80/193240480.db2.gz UJGFJDPPTZXOAN-GFCCVEGCSA-N 2 2 320.194 2.268 10 0 DEAELP COc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc2c1OCCO2 ZINC000093644087 193281199 /nfs/dbraw/zinc/28/11/99/193281199.db2.gz YEAFUPZMNRWXJN-UKRRQHHQSA-N 2 2 320.433 2.381 10 0 DEAELP COc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc2c1OCCO2 ZINC000093644087 193281200 /nfs/dbraw/zinc/28/12/00/193281200.db2.gz YEAFUPZMNRWXJN-UKRRQHHQSA-N 2 2 320.433 2.381 10 0 DEAELP COc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc2c1OCCO2 ZINC000093644087 193281202 /nfs/dbraw/zinc/28/12/02/193281202.db2.gz YEAFUPZMNRWXJN-UKRRQHHQSA-N 2 2 320.433 2.381 10 0 DEAELP COc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc2c1OCCO2 ZINC000093644087 193281204 /nfs/dbraw/zinc/28/12/04/193281204.db2.gz YEAFUPZMNRWXJN-UKRRQHHQSA-N 2 2 320.433 2.381 10 0 DEAELP C[NH2+][C@H](Cc1csc2ccccc12)[C@H]1C[N@H+](C)CCN1C ZINC000093894375 193323523 /nfs/dbraw/zinc/32/35/23/193323523.db2.gz REZTZWMFEFAOAL-HZPDHXFCSA-N 2 2 303.475 2.278 10 0 DEAELP C[NH2+][C@H](Cc1csc2ccccc12)[C@H]1C[N@@H+](C)CCN1C ZINC000093894375 193323524 /nfs/dbraw/zinc/32/35/24/193323524.db2.gz REZTZWMFEFAOAL-HZPDHXFCSA-N 2 2 303.475 2.278 10 0 DEAELP C[NH2+][C@@H](c1ccccc1C(F)(F)F)[C@H]1C[N@H+](C)CCN1C ZINC000093894705 193325494 /nfs/dbraw/zinc/32/54/94/193325494.db2.gz QACYFNSDJBGOEE-KGLIPLIRSA-N 2 2 301.356 2.212 10 0 DEAELP C[NH2+][C@@H](c1ccccc1C(F)(F)F)[C@H]1C[N@@H+](C)CCN1C ZINC000093894705 193325495 /nfs/dbraw/zinc/32/54/95/193325495.db2.gz QACYFNSDJBGOEE-KGLIPLIRSA-N 2 2 301.356 2.212 10 0 DEAELP Nc1cc(Br)ccc1C[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000094047798 193341644 /nfs/dbraw/zinc/34/16/44/193341644.db2.gz ADXBPJZDXMPGDG-GFCCVEGCSA-N 2 2 310.239 2.358 10 0 DEAELP Nc1cc(Br)ccc1C[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000094047798 193341646 /nfs/dbraw/zinc/34/16/46/193341646.db2.gz ADXBPJZDXMPGDG-GFCCVEGCSA-N 2 2 310.239 2.358 10 0 DEAELP CC[NH2+][C@H](Cc1[nH+]cc(C)c(OC)c1C)[C@@H]1CSCCO1 ZINC000094503458 193374868 /nfs/dbraw/zinc/37/48/68/193374868.db2.gz ZDDDAWZLVGYGBO-CABCVRRESA-N 2 2 310.463 2.360 10 0 DEAELP CCC[NH2+][C@@H](Cc1ccc(Cl)s1)[C@@H]1C[NH+]2CCN1CC2 ZINC000094510564 193375098 /nfs/dbraw/zinc/37/50/98/193375098.db2.gz PBLSQEIMPSRNGK-KBPBESRZSA-N 2 2 313.898 2.312 10 0 DEAELP C[NH2+][C@@H](Cc1cc(Cl)ccc1Cl)[C@H]1C[NH+]2CCN1CC2 ZINC000094509179 193376067 /nfs/dbraw/zinc/37/60/67/193376067.db2.gz CQXMTVLGRBLTPW-LSDHHAIUSA-N 2 2 314.260 2.124 10 0 DEAELP COCCC[N@H+](CCOC)[C@@H](C[NH3+])c1ccc(SC)cc1 ZINC000042420980 183267330 /nfs/dbraw/zinc/26/73/30/183267330.db2.gz DKIFWRHXTKSQNT-INIZCTEOSA-N 2 2 312.479 2.393 10 0 DEAELP COCCC[N@@H+](CCOC)[C@@H](C[NH3+])c1ccc(SC)cc1 ZINC000042420980 183267331 /nfs/dbraw/zinc/26/73/31/183267331.db2.gz DKIFWRHXTKSQNT-INIZCTEOSA-N 2 2 312.479 2.393 10 0 DEAELP CC(C)OCCC[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105915800 194167813 /nfs/dbraw/zinc/16/78/13/194167813.db2.gz RMTDCHFWOJCGIV-UHFFFAOYSA-N 2 2 308.470 2.094 10 0 DEAELP CC(C)OCCC[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105915800 194167814 /nfs/dbraw/zinc/16/78/14/194167814.db2.gz RMTDCHFWOJCGIV-UHFFFAOYSA-N 2 2 308.470 2.094 10 0 DEAELP CCOCC[N@@H+]1CCN(Cc2[nH+]cc(C)c(OC)c2C)C[C@@H]1C ZINC000110031110 194304178 /nfs/dbraw/zinc/30/41/78/194304178.db2.gz AZDQDFDQSZKMIL-HNNXBMFYSA-N 2 2 321.465 2.250 10 0 DEAELP CCOCC[N@H+]1CCN(Cc2[nH+]cc(C)c(OC)c2C)C[C@@H]1C ZINC000110031110 194304180 /nfs/dbraw/zinc/30/41/80/194304180.db2.gz AZDQDFDQSZKMIL-HNNXBMFYSA-N 2 2 321.465 2.250 10 0 DEAELP CN(Cc1[nH+]ccn1C)c1nc2c(s1)[C@@H]([NH3+])CC(C)(C)C2 ZINC000062327856 184230869 /nfs/dbraw/zinc/23/08/69/184230869.db2.gz UFFGMAAFKKNXRB-JTQLQIEISA-N 2 2 305.451 2.485 10 0 DEAELP CC[NH+](CC)c1ccc(NS(=O)(=O)C[C@@H]2CCC[NH2+]2)cc1 ZINC000062996938 184264942 /nfs/dbraw/zinc/26/49/42/184264942.db2.gz COZIOOHGQINBBK-AWEZNQCLSA-N 2 2 311.451 2.027 10 0 DEAELP O=C(C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)Nc1ccccc1Cl ZINC000157979956 197232129 /nfs/dbraw/zinc/23/21/29/197232129.db2.gz IULXHKLTLQIOBA-CHWSQXEVSA-N 2 2 307.825 2.495 10 0 DEAELP O=C(C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)Nc1ccccc1Cl ZINC000157979956 197232131 /nfs/dbraw/zinc/23/21/31/197232131.db2.gz IULXHKLTLQIOBA-CHWSQXEVSA-N 2 2 307.825 2.495 10 0 DEAELP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000358135355 133123377 /nfs/dbraw/zinc/12/33/77/133123377.db2.gz JWVGTMNJEPJPEW-ZDUSSCGKSA-N 2 2 307.442 2.027 10 0 DEAELP CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000358135355 133123378 /nfs/dbraw/zinc/12/33/78/133123378.db2.gz JWVGTMNJEPJPEW-ZDUSSCGKSA-N 2 2 307.442 2.027 10 0 DEAELP CC1=CC[N@H+](CC[NH2+]Cc2cn(C)nc2-c2cccnc2)CC1 ZINC000358135349 133123608 /nfs/dbraw/zinc/12/36/08/133123608.db2.gz JVOFPCPXBSYAPX-UHFFFAOYSA-N 2 2 311.433 2.224 10 0 DEAELP CC1=CC[N@@H+](CC[NH2+]Cc2cn(C)nc2-c2cccnc2)CC1 ZINC000358135349 133123609 /nfs/dbraw/zinc/12/36/09/133123609.db2.gz JVOFPCPXBSYAPX-UHFFFAOYSA-N 2 2 311.433 2.224 10 0 DEAELP Cc1oncc1C[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000189658574 145031956 /nfs/dbraw/zinc/03/19/56/145031956.db2.gz OGPIJAPQJQQDBR-GOSISDBHSA-N 2 2 315.417 2.052 10 0 DEAELP Cc1oncc1C[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000189658574 145031957 /nfs/dbraw/zinc/03/19/57/145031957.db2.gz OGPIJAPQJQQDBR-GOSISDBHSA-N 2 2 315.417 2.052 10 0 DEAELP Cc1oncc1C[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000189658574 145031958 /nfs/dbraw/zinc/03/19/58/145031958.db2.gz OGPIJAPQJQQDBR-GOSISDBHSA-N 2 2 315.417 2.052 10 0 DEAELP Cc1oncc1C[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000189658574 145031959 /nfs/dbraw/zinc/03/19/59/145031959.db2.gz OGPIJAPQJQQDBR-GOSISDBHSA-N 2 2 315.417 2.052 10 0 DEAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(N(C)C(C)C)nc1 ZINC000190944275 145050589 /nfs/dbraw/zinc/05/05/89/145050589.db2.gz YVWIRSCWKGVWEC-QGZVFWFLSA-N 2 2 320.481 2.127 10 0 DEAELP COCC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(N(C)C(C)C)nc1 ZINC000190944275 145050591 /nfs/dbraw/zinc/05/05/91/145050591.db2.gz YVWIRSCWKGVWEC-QGZVFWFLSA-N 2 2 320.481 2.127 10 0 DEAELP CSc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1 ZINC000193634682 145087628 /nfs/dbraw/zinc/08/76/28/145087628.db2.gz MLSYHRHOVHYGLQ-MELADBBJSA-N 2 2 319.474 2.229 10 0 DEAELP CSc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1 ZINC000193634682 145087629 /nfs/dbraw/zinc/08/76/29/145087629.db2.gz MLSYHRHOVHYGLQ-MELADBBJSA-N 2 2 319.474 2.229 10 0 DEAELP CSc1ccc(NC(=O)[C@H](C)[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cc1 ZINC000193634682 145087630 /nfs/dbraw/zinc/08/76/30/145087630.db2.gz MLSYHRHOVHYGLQ-MELADBBJSA-N 2 2 319.474 2.229 10 0 DEAELP CSc1ccc(NC(=O)[C@H](C)[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cc1 ZINC000193634682 145087631 /nfs/dbraw/zinc/08/76/31/145087631.db2.gz MLSYHRHOVHYGLQ-MELADBBJSA-N 2 2 319.474 2.229 10 0 DEAELP C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000247075313 145125515 /nfs/dbraw/zinc/12/55/15/145125515.db2.gz WTHDMKDBVVRVSN-QZWWFDLISA-N 2 2 309.498 2.438 10 0 DEAELP C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000247075313 145125517 /nfs/dbraw/zinc/12/55/17/145125517.db2.gz WTHDMKDBVVRVSN-QZWWFDLISA-N 2 2 309.498 2.438 10 0 DEAELP C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247075313 145125518 /nfs/dbraw/zinc/12/55/18/145125518.db2.gz WTHDMKDBVVRVSN-QZWWFDLISA-N 2 2 309.498 2.438 10 0 DEAELP C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000247075313 145125520 /nfs/dbraw/zinc/12/55/20/145125520.db2.gz WTHDMKDBVVRVSN-QZWWFDLISA-N 2 2 309.498 2.438 10 0 DEAELP Cc1ccccc1NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248130050 145148156 /nfs/dbraw/zinc/14/81/56/145148156.db2.gz OIILWGWQVLONAB-DOTOQJQBSA-N 2 2 301.434 2.350 10 0 DEAELP Cc1ccccc1NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248130050 145148158 /nfs/dbraw/zinc/14/81/58/145148158.db2.gz OIILWGWQVLONAB-DOTOQJQBSA-N 2 2 301.434 2.350 10 0 DEAELP Cc1ccccc1NC(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248130050 145148160 /nfs/dbraw/zinc/14/81/60/145148160.db2.gz OIILWGWQVLONAB-DOTOQJQBSA-N 2 2 301.434 2.350 10 0 DEAELP Cc1ccccc1NC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248130050 145148161 /nfs/dbraw/zinc/14/81/61/145148161.db2.gz OIILWGWQVLONAB-DOTOQJQBSA-N 2 2 301.434 2.350 10 0 DEAELP CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261652074 145213955 /nfs/dbraw/zinc/21/39/55/145213955.db2.gz HMQSZEBEHSZWCN-HOTGVXAUSA-N 2 2 319.449 2.472 10 0 DEAELP CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261652074 145213956 /nfs/dbraw/zinc/21/39/56/145213956.db2.gz HMQSZEBEHSZWCN-HOTGVXAUSA-N 2 2 319.449 2.472 10 0 DEAELP CSc1cccc(NC(=O)C[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)c1 ZINC000261675810 145215689 /nfs/dbraw/zinc/21/56/89/145215689.db2.gz GOJSHDTYWNAILM-CQSZACIVSA-N 2 2 307.463 2.406 10 0 DEAELP CSc1cccc(NC(=O)C[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)c1 ZINC000261675810 145215690 /nfs/dbraw/zinc/21/56/90/145215690.db2.gz GOJSHDTYWNAILM-CQSZACIVSA-N 2 2 307.463 2.406 10 0 DEAELP CC1(C)C[N@@H+]([C@@H](C(=O)NC2CC2)c2ccccc2)CC[C@@H]1[NH3+] ZINC000261802517 145227990 /nfs/dbraw/zinc/22/79/90/145227990.db2.gz VYQLTCNXLPXHHG-JKSUJKDBSA-N 2 2 301.434 2.066 10 0 DEAELP CC1(C)C[N@H+]([C@@H](C(=O)NC2CC2)c2ccccc2)CC[C@@H]1[NH3+] ZINC000261802517 145227992 /nfs/dbraw/zinc/22/79/92/145227992.db2.gz VYQLTCNXLPXHHG-JKSUJKDBSA-N 2 2 301.434 2.066 10 0 DEAELP [NH3+]Cc1nc(C[NH+]2CCC(Cc3cccc(F)c3)CC2)no1 ZINC000262304878 145274950 /nfs/dbraw/zinc/27/49/50/145274950.db2.gz YCIGIBKHMIRJSZ-UHFFFAOYSA-N 2 2 304.369 2.122 10 0 DEAELP C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000262518950 145289332 /nfs/dbraw/zinc/28/93/32/145289332.db2.gz NWQPFCDFRQAABU-ZBFHGGJFSA-N 2 2 303.450 2.265 10 0 DEAELP C[C@H](c1ccccc1)N(C)C(=O)C[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000262518950 145289334 /nfs/dbraw/zinc/28/93/34/145289334.db2.gz NWQPFCDFRQAABU-ZBFHGGJFSA-N 2 2 303.450 2.265 10 0 DEAELP COCC[C@H](COC)[NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000309701183 145351066 /nfs/dbraw/zinc/35/10/66/145351066.db2.gz GBQSNUJPEVSGRA-CGTJXYLNSA-N 2 2 306.450 2.291 10 0 DEAELP COCC[C@H](COC)[NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000309701183 145351069 /nfs/dbraw/zinc/35/10/69/145351069.db2.gz GBQSNUJPEVSGRA-CGTJXYLNSA-N 2 2 306.450 2.291 10 0 DEAELP COCC[C@H](COC)[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309863243 145351169 /nfs/dbraw/zinc/35/11/69/145351169.db2.gz OHFJKGYDYOJURK-QZTJIDSGSA-N 2 2 306.450 2.292 10 0 DEAELP COCC[C@H](COC)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309863243 145351170 /nfs/dbraw/zinc/35/11/70/145351170.db2.gz OHFJKGYDYOJURK-QZTJIDSGSA-N 2 2 306.450 2.292 10 0 DEAELP Cc1cn2c([nH+]1)[C@@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)CCC2 ZINC000332679256 145386501 /nfs/dbraw/zinc/38/65/01/145386501.db2.gz GGHDTVJJYCDFTD-HZPDHXFCSA-N 2 2 318.465 2.450 10 0 DEAELP CN1C(=O)C[C@@H]([NH2+]C2CC[NH+](C)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000090968669 401989768 /nfs/dbraw/zinc/98/97/68/401989768.db2.gz KGRNWMGBGKSKPD-NVXWUHKLSA-N 2 2 321.852 2.296 10 0 DEAELP C[C@@H](C(=O)N1CCCCC1)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000151105399 402016244 /nfs/dbraw/zinc/01/62/44/402016244.db2.gz YHUOMRNCSORCFK-JKSUJKDBSA-N 2 2 316.449 2.216 10 0 DEAELP C[C@@H](C(=O)N1CCCCC1)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000151105399 402016246 /nfs/dbraw/zinc/01/62/46/402016246.db2.gz YHUOMRNCSORCFK-JKSUJKDBSA-N 2 2 316.449 2.216 10 0 DEAELP C[C@H]1C[C@H]([NH+](C)CC(=O)N(C)CC2CCCCC2)CC[N@@H+]1C ZINC000123113054 402111245 /nfs/dbraw/zinc/11/12/45/402111245.db2.gz XJQVZYAQPIQZCP-DOTOQJQBSA-N 2 2 309.498 2.440 10 0 DEAELP C[C@H]1C[C@H]([NH+](C)CC(=O)N(C)CC2CCCCC2)CC[N@H+]1C ZINC000123113054 402111246 /nfs/dbraw/zinc/11/12/46/402111246.db2.gz XJQVZYAQPIQZCP-DOTOQJQBSA-N 2 2 309.498 2.440 10 0 DEAELP C[C@H]1C[C@H]([N@H+](C)CC(=O)N(C)CC2CCCCC2)CC[NH+]1C ZINC000123113054 402111247 /nfs/dbraw/zinc/11/12/47/402111247.db2.gz XJQVZYAQPIQZCP-DOTOQJQBSA-N 2 2 309.498 2.440 10 0 DEAELP C[C@H]1C[C@H]([N@@H+](C)CC(=O)N(C)CC2CCCCC2)CC[NH+]1C ZINC000123113054 402111248 /nfs/dbraw/zinc/11/12/48/402111248.db2.gz XJQVZYAQPIQZCP-DOTOQJQBSA-N 2 2 309.498 2.440 10 0 DEAELP C[C@@H](C1CC1)N(C(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1)C1CC1 ZINC000123249565 402118092 /nfs/dbraw/zinc/11/80/92/402118092.db2.gz GBMWHAAOILMOKO-KEYYUXOJSA-N 2 2 307.482 2.190 10 0 DEAELP C[C@@H](C1CC1)N(C(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1)C1CC1 ZINC000123249565 402118094 /nfs/dbraw/zinc/11/80/94/402118094.db2.gz GBMWHAAOILMOKO-KEYYUXOJSA-N 2 2 307.482 2.190 10 0 DEAELP C[C@@H](C1CC1)N(C(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1)C1CC1 ZINC000123249565 402118097 /nfs/dbraw/zinc/11/80/97/402118097.db2.gz GBMWHAAOILMOKO-KEYYUXOJSA-N 2 2 307.482 2.190 10 0 DEAELP C[C@@H](C1CC1)N(C(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1)C1CC1 ZINC000123249565 402118100 /nfs/dbraw/zinc/11/81/00/402118100.db2.gz GBMWHAAOILMOKO-KEYYUXOJSA-N 2 2 307.482 2.190 10 0 DEAELP Cc1nn(C)c2ncc(C[NH+](C)[C@@H]3CC[N@H+](C)[C@H](C)C3)cc12 ZINC000123255298 402118208 /nfs/dbraw/zinc/11/82/08/402118208.db2.gz OWVMBOCFKDALQH-IUODEOHRSA-N 2 2 301.438 2.191 10 0 DEAELP Cc1nn(C)c2ncc(C[NH+](C)[C@@H]3CC[N@@H+](C)[C@H](C)C3)cc12 ZINC000123255298 402118210 /nfs/dbraw/zinc/11/82/10/402118210.db2.gz OWVMBOCFKDALQH-IUODEOHRSA-N 2 2 301.438 2.191 10 0 DEAELP Cc1nn(C)c2ncc(C[N@@H+](C)[C@@H]3CC[NH+](C)[C@H](C)C3)cc12 ZINC000123255298 402118213 /nfs/dbraw/zinc/11/82/13/402118213.db2.gz OWVMBOCFKDALQH-IUODEOHRSA-N 2 2 301.438 2.191 10 0 DEAELP Cc1nn(C)c2ncc(C[N@H+](C)[C@@H]3CC[NH+](C)[C@H](C)C3)cc12 ZINC000123255298 402118215 /nfs/dbraw/zinc/11/82/15/402118215.db2.gz OWVMBOCFKDALQH-IUODEOHRSA-N 2 2 301.438 2.191 10 0 DEAELP C[C@H]1C[C@H]([NH+](C)CC(=O)NCCC2=CCCCC2)CC[N@@H+]1C ZINC000123338908 402122600 /nfs/dbraw/zinc/12/26/00/402122600.db2.gz WKEDNVSNIGFAAN-DOTOQJQBSA-N 2 2 307.482 2.408 10 0 DEAELP C[C@H]1C[C@H]([NH+](C)CC(=O)NCCC2=CCCCC2)CC[N@H+]1C ZINC000123338908 402122602 /nfs/dbraw/zinc/12/26/02/402122602.db2.gz WKEDNVSNIGFAAN-DOTOQJQBSA-N 2 2 307.482 2.408 10 0 DEAELP C[C@H]1C[C@H]([N@H+](C)CC(=O)NCCC2=CCCCC2)CC[NH+]1C ZINC000123338908 402122605 /nfs/dbraw/zinc/12/26/05/402122605.db2.gz WKEDNVSNIGFAAN-DOTOQJQBSA-N 2 2 307.482 2.408 10 0 DEAELP C[C@H]1C[C@H]([N@@H+](C)CC(=O)NCCC2=CCCCC2)CC[NH+]1C ZINC000123338908 402122606 /nfs/dbraw/zinc/12/26/06/402122606.db2.gz WKEDNVSNIGFAAN-DOTOQJQBSA-N 2 2 307.482 2.408 10 0 DEAELP c1cn(-c2ccc(C[N@H+]3CCC[C@H](Cn4cncn4)C3)cc2)c[nH+]1 ZINC000069662470 402237786 /nfs/dbraw/zinc/23/77/86/402237786.db2.gz NVDXPDCDKSOWHE-KRWDZBQOSA-N 2 2 322.416 2.376 10 0 DEAELP c1cn(-c2ccc(C[N@@H+]3CCC[C@H](Cn4cncn4)C3)cc2)c[nH+]1 ZINC000069662470 402237790 /nfs/dbraw/zinc/23/77/90/402237790.db2.gz NVDXPDCDKSOWHE-KRWDZBQOSA-N 2 2 322.416 2.376 10 0 DEAELP CCCC[C@H](C(=O)OC)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000105918312 402211219 /nfs/dbraw/zinc/21/12/19/402211219.db2.gz AQBZMNNTFFNHMQ-OAHLLOKOSA-N 2 2 307.438 2.406 10 0 DEAELP CC(C)Cn1cc[nH+]c1CNC(=O)NCC[N@H+](C)C1CCCC1 ZINC000176475248 402313123 /nfs/dbraw/zinc/31/31/23/402313123.db2.gz KMTBNJSDJXPDGG-UHFFFAOYSA-N 2 2 321.469 2.213 10 0 DEAELP CC(C)Cn1cc[nH+]c1CNC(=O)NCC[N@@H+](C)C1CCCC1 ZINC000176475248 402313126 /nfs/dbraw/zinc/31/31/26/402313126.db2.gz KMTBNJSDJXPDGG-UHFFFAOYSA-N 2 2 321.469 2.213 10 0 DEAELP CCO[C@@H]1C[C@H]([NH2+]CCCNc2cccc[nH+]2)C12CCOCC2 ZINC000186376376 402426066 /nfs/dbraw/zinc/42/60/66/402426066.db2.gz DRLPCNUVQIVOQB-JKSUJKDBSA-N 2 2 319.449 2.447 10 0 DEAELP CCC[C@@H](C(=O)NCc1ccc(N(CC)CC)[nH+]c1)[NH+](C)C ZINC000161612507 402393766 /nfs/dbraw/zinc/39/37/66/402393766.db2.gz YFCPRPFVNDOXNE-HNNXBMFYSA-N 2 2 306.454 2.274 10 0 DEAELP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1CCCn2cc[nH+]c21 ZINC000245422138 402458594 /nfs/dbraw/zinc/45/85/94/402458594.db2.gz PACXHIMJNYGREC-XUWVNRHRSA-N 2 2 318.465 2.243 10 0 DEAELP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1CCCn2cc[nH+]c21 ZINC000245422138 402458596 /nfs/dbraw/zinc/45/85/96/402458596.db2.gz PACXHIMJNYGREC-XUWVNRHRSA-N 2 2 318.465 2.243 10 0 DEAELP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@H]2CCCn3cc[nH+]c32)C1 ZINC000245416941 402458679 /nfs/dbraw/zinc/45/86/79/402458679.db2.gz JBWRTLMCYFLZTJ-XHSDSOJGSA-N 2 2 318.465 2.245 10 0 DEAELP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)[C@H]2CCCn3cc[nH+]c32)C1 ZINC000245416941 402458681 /nfs/dbraw/zinc/45/86/81/402458681.db2.gz JBWRTLMCYFLZTJ-XHSDSOJGSA-N 2 2 318.465 2.245 10 0 DEAELP CC[N@H+](C)[C@@H](C(=O)N1CC[NH+]2CCCC[C@H]2C1)c1ccccc1 ZINC000245869457 402492651 /nfs/dbraw/zinc/49/26/51/402492651.db2.gz VQTAGBCKMBXNFC-ZWKOTPCHSA-N 2 2 315.461 2.376 10 0 DEAELP CC[N@@H+](C)[C@@H](C(=O)N1CC[NH+]2CCCC[C@H]2C1)c1ccccc1 ZINC000245869457 402492653 /nfs/dbraw/zinc/49/26/53/402492653.db2.gz VQTAGBCKMBXNFC-ZWKOTPCHSA-N 2 2 315.461 2.376 10 0 DEAELP CC[NH+](C)[C@@H](C(=O)N1CC[N@@H+]2CCCC[C@H]2C1)c1ccccc1 ZINC000245869457 402492655 /nfs/dbraw/zinc/49/26/55/402492655.db2.gz VQTAGBCKMBXNFC-ZWKOTPCHSA-N 2 2 315.461 2.376 10 0 DEAELP CC[NH+](C)[C@@H](C(=O)N1CC[N@H+]2CCCC[C@H]2C1)c1ccccc1 ZINC000245869457 402492657 /nfs/dbraw/zinc/49/26/57/402492657.db2.gz VQTAGBCKMBXNFC-ZWKOTPCHSA-N 2 2 315.461 2.376 10 0 DEAELP C[NH+](C)C[C@H](NC(=O)c1ccc2[nH+]ccn2c1)c1ccccc1 ZINC000170861653 402534256 /nfs/dbraw/zinc/53/42/56/402534256.db2.gz DNMQEZGXKOARKT-INIZCTEOSA-N 2 2 308.385 2.367 10 0 DEAELP CC[C@](C)(O)C[N@@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000248640396 402600556 /nfs/dbraw/zinc/60/05/56/402600556.db2.gz BZZNONVLNOCKJY-HOCLYGCPSA-N 2 2 311.495 2.366 10 0 DEAELP CC[C@](C)(O)C[N@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000248640396 402600558 /nfs/dbraw/zinc/60/05/58/402600558.db2.gz BZZNONVLNOCKJY-HOCLYGCPSA-N 2 2 311.495 2.366 10 0 DEAELP CC[C@](C)(O)C[NH+]1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000248640396 402600559 /nfs/dbraw/zinc/60/05/59/402600559.db2.gz BZZNONVLNOCKJY-HOCLYGCPSA-N 2 2 311.495 2.366 10 0 DEAELP CC[C@](C)(O)C[NH+]1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000248640396 402600561 /nfs/dbraw/zinc/60/05/61/402600561.db2.gz BZZNONVLNOCKJY-HOCLYGCPSA-N 2 2 311.495 2.366 10 0 DEAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](C[C@H]2CCCCO2)C1 ZINC000248663371 402602109 /nfs/dbraw/zinc/60/21/09/402602109.db2.gz ZPFZBYJDHAFWCJ-QZTJIDSGSA-N 2 2 303.450 2.404 10 0 DEAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](C[C@H]2CCCCO2)C1 ZINC000248663371 402602110 /nfs/dbraw/zinc/60/21/10/402602110.db2.gz ZPFZBYJDHAFWCJ-QZTJIDSGSA-N 2 2 303.450 2.404 10 0 DEAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](C[C@H]2CCCCO2)C1 ZINC000248663371 402602113 /nfs/dbraw/zinc/60/21/13/402602113.db2.gz ZPFZBYJDHAFWCJ-QZTJIDSGSA-N 2 2 303.450 2.404 10 0 DEAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](C[C@H]2CCCCO2)C1 ZINC000248663371 402602116 /nfs/dbraw/zinc/60/21/16/402602116.db2.gz ZPFZBYJDHAFWCJ-QZTJIDSGSA-N 2 2 303.450 2.404 10 0 DEAELP Cn1c(C[NH+]2CCC(CC[NH+](C)C)CC2)nnc1C1CCC1 ZINC000181133863 402636065 /nfs/dbraw/zinc/63/60/65/402636065.db2.gz CVIQGJWLCZXPSN-UHFFFAOYSA-N 2 2 305.470 2.246 10 0 DEAELP O=C(C1CC[NH+](CCCn2cc[nH+]c2)CC1)N1CCCCCC1 ZINC000182668667 402707491 /nfs/dbraw/zinc/70/74/91/402707491.db2.gz IJUPFJHASOENCX-UHFFFAOYSA-N 2 2 318.465 2.388 10 0 DEAELP C1CCC([NH+]2CCC([NH2+][C@H]3CCC[C@H]3[C@@H]3COCC[NH2+]3)CC2)C1 ZINC000261841639 402718260 /nfs/dbraw/zinc/71/82/60/402718260.db2.gz ALSGZBGVWISSNO-QYZOEREBSA-N 3 2 321.509 2.140 10 0 DEAELP CC(=O)N1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)CC1 ZINC000191859669 402695862 /nfs/dbraw/zinc/69/58/62/402695862.db2.gz OGXRHUNPFVGZTA-UHFFFAOYSA-N 2 2 312.417 2.235 10 0 DEAELP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1nccn1C ZINC000182982565 402731128 /nfs/dbraw/zinc/73/11/28/402731128.db2.gz UQEYEYZFTTVHQV-ZOBUZTSGSA-N 2 2 313.449 2.376 10 0 DEAELP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1nccn1C ZINC000182982565 402731131 /nfs/dbraw/zinc/73/11/31/402731131.db2.gz UQEYEYZFTTVHQV-ZOBUZTSGSA-N 2 2 313.449 2.376 10 0 DEAELP COc1cccc([C@H]2C[N@H+](CCCn3cc[nH+]c3)CCO2)c1 ZINC000182864765 402722526 /nfs/dbraw/zinc/72/25/26/402722526.db2.gz SMWJPVATAJUZFT-QGZVFWFLSA-N 2 2 301.390 2.355 10 0 DEAELP COc1cccc([C@H]2C[N@@H+](CCCn3cc[nH+]c3)CCO2)c1 ZINC000182864765 402722530 /nfs/dbraw/zinc/72/25/30/402722530.db2.gz SMWJPVATAJUZFT-QGZVFWFLSA-N 2 2 301.390 2.355 10 0 DEAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NCc2sccc2C)[C@H](C)C1 ZINC000175720490 402825954 /nfs/dbraw/zinc/82/59/54/402825954.db2.gz XYRLCNFSKKXHKM-HUUCEWRRSA-N 2 2 323.506 2.335 10 0 DEAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NCc2sccc2C)[C@H](C)C1 ZINC000175720490 402825956 /nfs/dbraw/zinc/82/59/56/402825956.db2.gz XYRLCNFSKKXHKM-HUUCEWRRSA-N 2 2 323.506 2.335 10 0 DEAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NCc2sccc2C)[C@H](C)C1 ZINC000175720490 402825960 /nfs/dbraw/zinc/82/59/60/402825960.db2.gz XYRLCNFSKKXHKM-HUUCEWRRSA-N 2 2 323.506 2.335 10 0 DEAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NCc2sccc2C)[C@H](C)C1 ZINC000175720490 402825962 /nfs/dbraw/zinc/82/59/62/402825962.db2.gz XYRLCNFSKKXHKM-HUUCEWRRSA-N 2 2 323.506 2.335 10 0 DEAELP CN(C)c1[nH+]cccc1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000195134145 402833411 /nfs/dbraw/zinc/83/34/11/402833411.db2.gz XFYRXFCZWGRFED-UHFFFAOYSA-N 2 2 312.417 2.139 10 0 DEAELP Cn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1cccc2[nH+]ccn21 ZINC000275550508 403104515 /nfs/dbraw/zinc/10/45/15/403104515.db2.gz NHPPNECEJMWCAG-HOCLYGCPSA-N 2 2 311.389 2.078 10 0 DEAELP COc1cccc2c(NC[C@H]3C[N@H+](C)CCO3)c(C)c[nH+]c12 ZINC000276321620 403164004 /nfs/dbraw/zinc/16/40/04/403164004.db2.gz PZWXBTMVCJWODX-ZDUSSCGKSA-N 2 2 301.390 2.294 10 0 DEAELP COc1cccc2c(NC[C@H]3C[N@@H+](C)CCO3)c(C)c[nH+]c12 ZINC000276321620 403164006 /nfs/dbraw/zinc/16/40/06/403164006.db2.gz PZWXBTMVCJWODX-ZDUSSCGKSA-N 2 2 301.390 2.294 10 0 DEAELP Cc1n[nH]c(C)c1C[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000275887424 403130944 /nfs/dbraw/zinc/13/09/44/403130944.db2.gz ZFTPDWYAJWAGLH-KRWDZBQOSA-N 2 2 313.449 2.375 10 0 DEAELP Cc1n[nH]c(C)c1C[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000275887424 403130946 /nfs/dbraw/zinc/13/09/46/403130946.db2.gz ZFTPDWYAJWAGLH-KRWDZBQOSA-N 2 2 313.449 2.375 10 0 DEAELP Cc1n[nH]c(C)c1C[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000275887424 403130947 /nfs/dbraw/zinc/13/09/47/403130947.db2.gz ZFTPDWYAJWAGLH-KRWDZBQOSA-N 2 2 313.449 2.375 10 0 DEAELP Cc1n[nH]c(C)c1C[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000275887424 403130949 /nfs/dbraw/zinc/13/09/49/403130949.db2.gz ZFTPDWYAJWAGLH-KRWDZBQOSA-N 2 2 313.449 2.375 10 0 DEAELP CCn1cc[nH+]c1[C@H](C)NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000333074384 403660549 /nfs/dbraw/zinc/66/05/49/403660549.db2.gz HDTVEUUXNXTVJP-AVOUXACISA-N 2 2 319.453 2.279 10 0 DEAELP CCn1cc[nH+]c1[C@H](C)NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000333074384 403660553 /nfs/dbraw/zinc/66/05/53/403660553.db2.gz HDTVEUUXNXTVJP-AVOUXACISA-N 2 2 319.453 2.279 10 0 DEAELP CCCCOC[C@H](O)C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000389840642 405038861 /nfs/dbraw/zinc/03/88/61/405038861.db2.gz NIBKOUGFMULDDD-UHOSZYNNSA-N 2 2 320.477 2.274 10 0 DEAELP CCCCOC[C@H](O)C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000389840642 405038865 /nfs/dbraw/zinc/03/88/65/405038865.db2.gz NIBKOUGFMULDDD-UHOSZYNNSA-N 2 2 320.477 2.274 10 0 DEAELP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000361543070 405123233 /nfs/dbraw/zinc/12/32/33/405123233.db2.gz KBECMPNFRHWDCT-HOTGVXAUSA-N 2 2 318.465 2.076 10 0 DEAELP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000361543070 405123235 /nfs/dbraw/zinc/12/32/35/405123235.db2.gz KBECMPNFRHWDCT-HOTGVXAUSA-N 2 2 318.465 2.076 10 0 DEAELP COc1ccc(C[C@H](C)[NH2+][C@@H]2CCC[N@H+](CCCO)C2)cc1 ZINC000449396890 405545546 /nfs/dbraw/zinc/54/55/46/405545546.db2.gz NCRUBDVLKZLPQC-DOTOQJQBSA-N 2 2 306.450 2.063 10 0 DEAELP COc1ccc(C[C@H](C)[NH2+][C@@H]2CCC[N@@H+](CCCO)C2)cc1 ZINC000449396890 405545550 /nfs/dbraw/zinc/54/55/50/405545550.db2.gz NCRUBDVLKZLPQC-DOTOQJQBSA-N 2 2 306.450 2.063 10 0 DEAELP COc1ccc([C@](C)(O)[C@@H]2CCC[N@@H+]2CCn2cc[nH+]c2)cc1 ZINC000583619775 405775856 /nfs/dbraw/zinc/77/58/56/405775856.db2.gz FYJNYSVVNRAWRH-ROUUACIJSA-N 2 2 315.417 2.264 10 0 DEAELP COc1ccc([C@](C)(O)[C@@H]2CCC[N@H+]2CCn2cc[nH+]c2)cc1 ZINC000583619775 405775864 /nfs/dbraw/zinc/77/58/64/405775864.db2.gz FYJNYSVVNRAWRH-ROUUACIJSA-N 2 2 315.417 2.264 10 0 DEAELP C[NH+](C)CCCCC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000561321401 405919799 /nfs/dbraw/zinc/91/97/99/405919799.db2.gz YCWOBLNRJYHPBB-UHFFFAOYSA-N 2 2 314.433 2.280 10 0 DEAELP CNc1nc(NCC[N@H+](C)C(C)C)c(Br)c[nH+]1 ZINC000132848196 196290226 /nfs/dbraw/zinc/29/02/26/196290226.db2.gz UVQPCXXAYKILQV-UHFFFAOYSA-N 2 2 302.220 2.033 10 0 DEAELP CNc1nc(NCC[N@@H+](C)C(C)C)c(Br)c[nH+]1 ZINC000132848196 196290228 /nfs/dbraw/zinc/29/02/28/196290228.db2.gz UVQPCXXAYKILQV-UHFFFAOYSA-N 2 2 302.220 2.033 10 0 DEAELP c1ccc(OC2CCC2)c(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)c1 ZINC000422915784 230274825 /nfs/dbraw/zinc/27/48/25/230274825.db2.gz YZNPRTDMNJKRAX-RBUKOAKNSA-N 2 2 316.445 2.475 10 0 DEAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NCc2ccc(C)cc2)[C@H](C)C1 ZINC000081096850 267378865 /nfs/dbraw/zinc/37/88/65/267378865.db2.gz AODWAGPORBKMMD-SJLPKXTDSA-N 2 2 317.477 2.273 10 0 DEAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NCc2ccc(C)cc2)[C@H](C)C1 ZINC000081096850 267378868 /nfs/dbraw/zinc/37/88/68/267378868.db2.gz AODWAGPORBKMMD-SJLPKXTDSA-N 2 2 317.477 2.273 10 0 DEAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NCc2ccc(C)cc2)[C@H](C)C1 ZINC000081096850 267378873 /nfs/dbraw/zinc/37/88/73/267378873.db2.gz AODWAGPORBKMMD-SJLPKXTDSA-N 2 2 317.477 2.273 10 0 DEAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NCc2ccc(C)cc2)[C@H](C)C1 ZINC000081096850 267378874 /nfs/dbraw/zinc/37/88/74/267378874.db2.gz AODWAGPORBKMMD-SJLPKXTDSA-N 2 2 317.477 2.273 10 0 DEAELP CCC[C@H](C(=O)Nc1nc2c(s1)C[N@H+](CC)CC2)[NH+](C)C ZINC000153662263 276039209 /nfs/dbraw/zinc/03/92/09/276039209.db2.gz QGEVLQXRTKUROQ-GFCCVEGCSA-N 2 2 310.467 2.190 10 0 DEAELP CCC[C@H](C(=O)Nc1nc2c(s1)C[N@@H+](CC)CC2)[NH+](C)C ZINC000153662263 276039212 /nfs/dbraw/zinc/03/92/12/276039212.db2.gz QGEVLQXRTKUROQ-GFCCVEGCSA-N 2 2 310.467 2.190 10 0 DEAELP C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)CCC[NH3+])CC1 ZINC000237395662 290262816 /nfs/dbraw/zinc/26/28/16/290262816.db2.gz CKOYSGPRQIUSRR-CYBMUJFWSA-N 2 2 309.841 2.284 10 0 DEAELP CC1(C)C[N@H+](CC(=O)NCc2cccc(Cl)c2)CC[C@@H]1[NH3+] ZINC000261790863 535353189 /nfs/dbraw/zinc/35/31/89/535353189.db2.gz NPVIWRAUSUDCAS-AWEZNQCLSA-N 2 2 309.841 2.015 10 0 DEAELP CC1(C)C[N@@H+](CC(=O)NCc2cccc(Cl)c2)CC[C@@H]1[NH3+] ZINC000261790863 535353192 /nfs/dbraw/zinc/35/31/92/535353192.db2.gz NPVIWRAUSUDCAS-AWEZNQCLSA-N 2 2 309.841 2.015 10 0 DEAELP CC[NH+](CC)CCNC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000372386879 535537636 /nfs/dbraw/zinc/53/76/36/535537636.db2.gz NDVHSBNHTBTRAR-CYBMUJFWSA-N 2 2 306.454 2.096 10 0 DEAELP CC[NH+](CC)CCNC(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000372386879 535537638 /nfs/dbraw/zinc/53/76/38/535537638.db2.gz NDVHSBNHTBTRAR-CYBMUJFWSA-N 2 2 306.454 2.096 10 0 DEAELP CCOC(=O)[C@H](CC)[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000247216864 535647826 /nfs/dbraw/zinc/64/78/26/535647826.db2.gz COXWBQQWQVGDEL-GJZGRUSLSA-N 2 2 305.422 2.466 10 0 DEAELP CCOC(=O)[C@H](CC)[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000247216864 535647835 /nfs/dbraw/zinc/64/78/35/535647835.db2.gz COXWBQQWQVGDEL-GJZGRUSLSA-N 2 2 305.422 2.466 10 0 DEAELP CCOc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000261891353 535746172 /nfs/dbraw/zinc/74/61/72/535746172.db2.gz VOKRWOYEKRQYBH-CJNGLKHVSA-N 2 2 319.449 2.472 10 0 DEAELP CCOc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000261891353 535746180 /nfs/dbraw/zinc/74/61/80/535746180.db2.gz VOKRWOYEKRQYBH-CJNGLKHVSA-N 2 2 319.449 2.472 10 0 DEAELP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc2c(c1)CCO2 ZINC000178518685 635160837 /nfs/dbraw/zinc/16/08/37/635160837.db2.gz MDINVPGACXPEBD-YOEHRIQHSA-N 2 2 304.434 2.119 10 0 DEAELP c1cc(C[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)co1 ZINC000727469278 637962115 /nfs/dbraw/zinc/96/21/15/637962115.db2.gz UZGIJXHYXKCOQZ-UHFFFAOYSA-N 2 2 316.401 2.280 10 0 DEAELP c1cn(-c2ccc(C[NH2+]CCCOC[C@@H]3CCOC3)cc2)c[nH+]1 ZINC000077446943 1080472570 /nfs/dbraw/zinc/47/25/70/1080472570.db2.gz LPJANUOBDGOITI-KRWDZBQOSA-N 2 2 315.417 2.405 10 0 DEAELP CC[N@H+](CC[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)C1CC1 ZINC000711437087 1087104929 /nfs/dbraw/zinc/10/49/29/1087104929.db2.gz FKCGGOSUNUKOSC-OKILXGFUSA-N 2 2 311.470 2.364 10 0 DEAELP CC[N@@H+](CC[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)C1CC1 ZINC000711437087 1087104934 /nfs/dbraw/zinc/10/49/34/1087104934.db2.gz FKCGGOSUNUKOSC-OKILXGFUSA-N 2 2 311.470 2.364 10 0 DEAELP Cc1cc(C[NH2+]C2CC[NH+](CC(=O)N(C)C)CC2)sc1C ZINC000087579455 185228921 /nfs/dbraw/zinc/22/89/21/185228921.db2.gz QUJRGBAKYUYPDJ-UHFFFAOYSA-N 2 2 309.479 2.007 10 0 DEAELP C[NH2+][C@@](C)(CCC[NH+]1CCC(C(F)(F)F)CC1)C(=O)OC ZINC000088435522 185250245 /nfs/dbraw/zinc/25/02/45/185250245.db2.gz YUSIWYZKKUNAEN-ZDUSSCGKSA-N 2 2 310.360 2.192 10 0 DEAELP Cn1cc[nH+]c1CN1Cc2ccc(C(F)(F)F)cc2[C@@H]1C[NH3+] ZINC000071684068 191008922 /nfs/dbraw/zinc/00/89/22/191008922.db2.gz WJZAVCDGMSAPKL-ZDUSSCGKSA-N 2 2 310.323 2.455 10 0 DEAELP CCCCNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000080599493 192172083 /nfs/dbraw/zinc/17/20/83/192172083.db2.gz URUNRQKOEHXYNB-UHFFFAOYSA-N 2 2 310.486 2.036 10 0 DEAELP C[NH+]1CCN(Nc2[nH+]cc(Cl)cc2Br)CC1 ZINC000159622315 186131173 /nfs/dbraw/zinc/13/11/73/186131173.db2.gz VEORDOUYBYMMPF-UHFFFAOYSA-N 2 2 305.607 2.072 10 0 DEAELP CCC(CC)(C[NH2+]C(C)C)C[N@@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000163934942 186142791 /nfs/dbraw/zinc/14/27/91/186142791.db2.gz ZHFNWWMNOMITAP-OAHLLOKOSA-N 2 2 300.487 2.263 10 0 DEAELP CCC(CC)(C[NH2+]C(C)C)C[N@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000163934942 186142793 /nfs/dbraw/zinc/14/27/93/186142793.db2.gz ZHFNWWMNOMITAP-OAHLLOKOSA-N 2 2 300.487 2.263 10 0 DEAELP C[C@@H]1C[C@@H]([NH+](C)CC(=O)N(C)Cc2cccs2)CC[N@@H+]1C ZINC000174873786 198396263 /nfs/dbraw/zinc/39/62/63/198396263.db2.gz OHAJSQFTGCSGIE-KGLIPLIRSA-N 2 2 309.479 2.121 10 0 DEAELP C[C@@H]1C[C@@H]([NH+](C)CC(=O)N(C)Cc2cccs2)CC[N@H+]1C ZINC000174873786 198396265 /nfs/dbraw/zinc/39/62/65/198396265.db2.gz OHAJSQFTGCSGIE-KGLIPLIRSA-N 2 2 309.479 2.121 10 0 DEAELP C[C@@H]1C[C@@H]([N@H+](C)CC(=O)N(C)Cc2cccs2)CC[NH+]1C ZINC000174873786 198396267 /nfs/dbraw/zinc/39/62/67/198396267.db2.gz OHAJSQFTGCSGIE-KGLIPLIRSA-N 2 2 309.479 2.121 10 0 DEAELP C[C@@H]1C[C@@H]([N@@H+](C)CC(=O)N(C)Cc2cccs2)CC[NH+]1C ZINC000174873786 198396269 /nfs/dbraw/zinc/39/62/69/198396269.db2.gz OHAJSQFTGCSGIE-KGLIPLIRSA-N 2 2 309.479 2.121 10 0 DEAELP CNc1cc(N2CCC[C@@H]2C[NH2+]C(C2CC2)C2CC2)nc[nH+]1 ZINC000180576322 356053715 /nfs/dbraw/zinc/05/37/15/356053715.db2.gz WANVOMULPOAFRF-CQSZACIVSA-N 2 2 301.438 2.265 10 0 DEAELP CNc1cc(N2CCC[C@H]2C[NH2+]C2CCC(OC)CC2)nc[nH+]1 ZINC000183150929 356161837 /nfs/dbraw/zinc/16/18/37/356161837.db2.gz SZBXNMOVGHRWNU-SLTAFYQDSA-N 2 2 319.453 2.034 10 0 DEAELP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400355778 283156294 /nfs/dbraw/zinc/15/62/94/283156294.db2.gz BCUFFYUZOLQBMU-ZNMIVQPWSA-N 2 2 311.470 2.316 10 0 DEAELP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400355778 283156295 /nfs/dbraw/zinc/15/62/95/283156295.db2.gz BCUFFYUZOLQBMU-ZNMIVQPWSA-N 2 2 311.470 2.316 10 0 DEAELP O=c1ccccn1CC[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000590819545 357619565 /nfs/dbraw/zinc/61/95/65/357619565.db2.gz WMHGMVVHLZKCKI-GOSISDBHSA-N 2 2 317.477 2.436 10 0 DEAELP O=c1ccccn1CC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000590819545 357619571 /nfs/dbraw/zinc/61/95/71/357619571.db2.gz WMHGMVVHLZKCKI-GOSISDBHSA-N 2 2 317.477 2.436 10 0 DEAELP CC(C)C[NH+]1CCN(C(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000606582598 361022763 /nfs/dbraw/zinc/02/27/63/361022763.db2.gz WFOSZDBVTQWDHN-UHFFFAOYSA-N 2 2 301.394 2.140 10 0 DEAELP CC[NH+](CC)[C@H]1CCN(C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000608313964 361196704 /nfs/dbraw/zinc/19/67/04/361196704.db2.gz WZRXEJJPJFLTTM-AWEZNQCLSA-N 2 2 301.394 2.282 10 0 DEAELP Cc1cc(C[NH2+]C[C@H]2C[N@H+](C)CCN2Cc2ccccc2)ccn1 ZINC000623574663 365086165 /nfs/dbraw/zinc/08/61/65/365086165.db2.gz TVLSCQMEANGYFL-FQEVSTJZSA-N 2 2 324.472 2.296 10 0 DEAELP Cc1cc(C[NH2+]C[C@H]2C[N@@H+](C)CCN2Cc2ccccc2)ccn1 ZINC000623574663 365086168 /nfs/dbraw/zinc/08/61/68/365086168.db2.gz TVLSCQMEANGYFL-FQEVSTJZSA-N 2 2 324.472 2.296 10 0 DEAELP [NH3+]C[C@H](CC(=O)N1CCCC1)[N@H+](Cc1ccsc1)C1CC1 ZINC000091323390 193040097 /nfs/dbraw/zinc/04/00/97/193040097.db2.gz BSRPHKPMMWQLFZ-HNNXBMFYSA-N 2 2 307.463 2.052 10 0 DEAELP [NH3+]C[C@H](CC(=O)N1CCCC1)[N@@H+](Cc1ccsc1)C1CC1 ZINC000091323390 193040101 /nfs/dbraw/zinc/04/01/01/193040101.db2.gz BSRPHKPMMWQLFZ-HNNXBMFYSA-N 2 2 307.463 2.052 10 0 DEAELP C[NH2+][C@@H](Cc1ccc(OC)c(Br)c1)C[NH+](C)C ZINC000091719676 193096905 /nfs/dbraw/zinc/09/69/05/193096905.db2.gz KFUXNRDFTHFAOP-NSHDSACASA-N 2 2 301.228 2.150 10 0 DEAELP C[NH2+]CCOCC[N@H+](C)Cc1c(F)cccc1Br ZINC000629570157 367256639 /nfs/dbraw/zinc/25/66/39/367256639.db2.gz IQJDPMNTBQISNI-UHFFFAOYSA-N 2 2 319.218 2.256 10 0 DEAELP C[NH2+]CCOCC[N@@H+](C)Cc1c(F)cccc1Br ZINC000629570157 367256644 /nfs/dbraw/zinc/25/66/44/367256644.db2.gz IQJDPMNTBQISNI-UHFFFAOYSA-N 2 2 319.218 2.256 10 0 DEAELP CC(=O)c1ccccc1OCC[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629584325 367261968 /nfs/dbraw/zinc/26/19/68/367261968.db2.gz OSNCHIZCXOUNRZ-HDICACEKSA-N 2 2 302.418 2.199 10 0 DEAELP CC(=O)c1ccccc1OCC[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629584325 367261973 /nfs/dbraw/zinc/26/19/73/367261973.db2.gz OSNCHIZCXOUNRZ-HDICACEKSA-N 2 2 302.418 2.199 10 0 DEAELP [NH3+][C@@H](Cc1c[nH+]c[nH]1)c1nc2cc(F)c(Br)cc2[nH]1 ZINC000093728652 193297349 /nfs/dbraw/zinc/29/73/49/193297349.db2.gz SUZQVXCMIIMEJJ-VIFPVBQESA-N 2 2 324.157 2.430 10 0 DEAELP CC[NH2+][C@@H](Cc1ccc(F)cc1Cl)[C@@H]1C[N@H+](C)CCN1C ZINC000093895015 193325484 /nfs/dbraw/zinc/32/54/84/193325484.db2.gz KEQVPKLEMWCCAE-HOTGVXAUSA-N 2 2 313.848 2.246 10 0 DEAELP CC[NH2+][C@@H](Cc1ccc(F)cc1Cl)[C@@H]1C[N@@H+](C)CCN1C ZINC000093895015 193325485 /nfs/dbraw/zinc/32/54/85/193325485.db2.gz KEQVPKLEMWCCAE-HOTGVXAUSA-N 2 2 313.848 2.246 10 0 DEAELP C[C@H]1C[C@](C[NH3+])([NH+]2CCN(c3ccc(F)cc3)CC2)CS1 ZINC000094473243 193372615 /nfs/dbraw/zinc/37/26/15/193372615.db2.gz VOKHDUYUMXWYJM-XJKSGUPXSA-N 2 2 309.454 2.171 10 0 DEAELP C[N@H+](CC(=O)Nc1ccccc1Cl)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746944 183128929 /nfs/dbraw/zinc/12/89/29/183128929.db2.gz QTDBGRIQYKKWBA-FUNVUKJBSA-N 2 2 307.825 2.493 10 0 DEAELP C[N@@H+](CC(=O)Nc1ccccc1Cl)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746944 183128931 /nfs/dbraw/zinc/12/89/31/183128931.db2.gz QTDBGRIQYKKWBA-FUNVUKJBSA-N 2 2 307.825 2.493 10 0 DEAELP CC[C@@H]([NH3+])[C@H](c1ccc(Cl)cc1)[NH+]1CCC(C(N)=O)CC1 ZINC000042944575 183319502 /nfs/dbraw/zinc/31/95/02/183319502.db2.gz ULXRXZYXVMZHBZ-CABCVRRESA-N 2 2 309.841 2.316 10 0 DEAELP CC[C@@H]([NH3+])[C@H](c1ccc(C)s1)[NH+]1CCC(CC(N)=O)CC1 ZINC000043242773 183347294 /nfs/dbraw/zinc/34/72/94/183347294.db2.gz LVTAYUBLBGJUEV-CZUORRHYSA-N 2 2 309.479 2.422 10 0 DEAELP COc1ccc(C[N@H+](C)[C@@H]2CCC[NH2+]C2)cc1OC(F)F ZINC000110926029 194369511 /nfs/dbraw/zinc/36/95/11/194369511.db2.gz JXYJOVOZSUOOFG-GFCCVEGCSA-N 2 2 300.349 2.480 10 0 DEAELP COc1ccc(C[N@@H+](C)[C@@H]2CCC[NH2+]C2)cc1OC(F)F ZINC000110926029 194369513 /nfs/dbraw/zinc/36/95/13/194369513.db2.gz JXYJOVOZSUOOFG-GFCCVEGCSA-N 2 2 300.349 2.480 10 0 DEAELP C[NH2+][C@H]1CCCCC[C@H]1C[NH+]1CCN(CC(F)(F)F)CC1 ZINC000061947743 184197911 /nfs/dbraw/zinc/19/79/11/184197911.db2.gz MRSHISGUQDKDLR-KBPBESRZSA-N 2 2 307.404 2.335 10 0 DEAELP C[C@]1(C(=O)Nc2cccc(Cl)c2-n2cc[nH+]c2)CC[NH2+]C1 ZINC000062891772 184258348 /nfs/dbraw/zinc/25/83/48/184258348.db2.gz YPLCGLHODRDQHT-HNNXBMFYSA-N 2 2 304.781 2.464 10 0 DEAELP CC[NH+](CC)c1ccc(NS(=O)(=O)C2CC[NH2+]CC2)cc1 ZINC000062996940 184264880 /nfs/dbraw/zinc/26/48/80/184264880.db2.gz VDLMRRYAYMJIDB-UHFFFAOYSA-N 2 2 311.451 2.027 10 0 DEAELP CC[NH+](CC)c1ccc(NS(=O)(=O)[C@H]2CCC[NH2+]C2)cc1 ZINC000062996937 184265100 /nfs/dbraw/zinc/26/51/00/184265100.db2.gz MDACIYQEWJWTAC-HNNXBMFYSA-N 2 2 311.451 2.027 10 0 DEAELP CC[N@H+](C[C@@]1(C)CC[NH2+]C1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000262089207 285037086 /nfs/dbraw/zinc/03/70/86/285037086.db2.gz UPNAAGFYTQNJLU-AEFFLSMTSA-N 2 2 301.434 2.113 10 0 DEAELP CC[N@@H+](C[C@@]1(C)CC[NH2+]C1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000262089207 285037088 /nfs/dbraw/zinc/03/70/88/285037088.db2.gz UPNAAGFYTQNJLU-AEFFLSMTSA-N 2 2 301.434 2.113 10 0 DEAELP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@@H](C)c2ccccc2C)CC1 ZINC000120952130 195270870 /nfs/dbraw/zinc/27/08/70/195270870.db2.gz JPWZULNMERBOMO-JKSUJKDBSA-N 2 2 303.450 2.198 10 0 DEAELP COCCOc1cccc(C[NH2+]CC[N@H+]2CC=C(C)CC2)c1 ZINC000358146490 133124292 /nfs/dbraw/zinc/12/42/92/133124292.db2.gz XDTKNTNEKJDUHN-UHFFFAOYSA-N 2 2 304.434 2.453 10 0 DEAELP COCCOc1cccc(C[NH2+]CC[N@@H+]2CC=C(C)CC2)c1 ZINC000358146490 133124293 /nfs/dbraw/zinc/12/42/93/133124293.db2.gz XDTKNTNEKJDUHN-UHFFFAOYSA-N 2 2 304.434 2.453 10 0 DEAELP C/C(=C\C(C)(C)C)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000368431266 133273122 /nfs/dbraw/zinc/27/31/22/133273122.db2.gz AVGXCFYFHAGEBX-OKFGHLOFSA-N 2 2 307.482 2.264 10 0 DEAELP C/C(=C\C(C)(C)C)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000368431266 133273123 /nfs/dbraw/zinc/27/31/23/133273123.db2.gz AVGXCFYFHAGEBX-OKFGHLOFSA-N 2 2 307.482 2.264 10 0 DEAELP CC(C)(C)n1cc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)nn1 ZINC000191228918 145054810 /nfs/dbraw/zinc/05/48/10/145054810.db2.gz MPTZJYBDGLAHHN-UHFFFAOYSA-N 2 2 305.470 2.341 10 0 DEAELP C[N@H+]1C[C@@H]2C[NH+](Cc3ncc(-c4cccc(F)c4)o3)C[C@@H]2C1 ZINC000193598625 145087444 /nfs/dbraw/zinc/08/74/44/145087444.db2.gz MUMMHAWMJOXEMV-OKILXGFUSA-N 2 2 301.365 2.474 10 0 DEAELP C[N@@H+]1C[C@@H]2C[NH+](Cc3ncc(-c4cccc(F)c4)o3)C[C@@H]2C1 ZINC000193598625 145087447 /nfs/dbraw/zinc/08/74/47/145087447.db2.gz MUMMHAWMJOXEMV-OKILXGFUSA-N 2 2 301.365 2.474 10 0 DEAELP C[NH+]1C[C@@H]2C[N@@H+](Cc3ncc(-c4cccc(F)c4)o3)C[C@@H]2C1 ZINC000193598625 145087449 /nfs/dbraw/zinc/08/74/49/145087449.db2.gz MUMMHAWMJOXEMV-OKILXGFUSA-N 2 2 301.365 2.474 10 0 DEAELP C[NH+]1C[C@@H]2C[N@H+](Cc3ncc(-c4cccc(F)c4)o3)C[C@@H]2C1 ZINC000193598625 145087451 /nfs/dbraw/zinc/08/74/51/145087451.db2.gz MUMMHAWMJOXEMV-OKILXGFUSA-N 2 2 301.365 2.474 10 0 DEAELP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)Nc3ccc(F)c(F)c3)CC[C@H]21 ZINC000247304426 145132823 /nfs/dbraw/zinc/13/28/23/145132823.db2.gz UXVPBJCSJWCRDH-MLGOLLRUSA-N 2 2 323.387 2.319 10 0 DEAELP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)Nc3ccc(F)c(F)c3)CC[C@H]21 ZINC000247304426 145132825 /nfs/dbraw/zinc/13/28/25/145132825.db2.gz UXVPBJCSJWCRDH-MLGOLLRUSA-N 2 2 323.387 2.319 10 0 DEAELP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)Nc3ccc(F)c(F)c3)CC[C@H]21 ZINC000247304426 145132826 /nfs/dbraw/zinc/13/28/26/145132826.db2.gz UXVPBJCSJWCRDH-MLGOLLRUSA-N 2 2 323.387 2.319 10 0 DEAELP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)Nc3ccc(F)c(F)c3)CC[C@H]21 ZINC000247304426 145132828 /nfs/dbraw/zinc/13/28/28/145132828.db2.gz UXVPBJCSJWCRDH-MLGOLLRUSA-N 2 2 323.387 2.319 10 0 DEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@@H](O)CC(F)(F)F)C1 ZINC000248867184 145170919 /nfs/dbraw/zinc/17/09/19/145170919.db2.gz BCIAMICAYRAERD-RYUDHWBXSA-N 2 2 305.344 2.396 10 0 DEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@@H](O)CC(F)(F)F)C1 ZINC000248867184 145170921 /nfs/dbraw/zinc/17/09/21/145170921.db2.gz BCIAMICAYRAERD-RYUDHWBXSA-N 2 2 305.344 2.396 10 0 DEAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(C)OCCCO1 ZINC000249107439 145179186 /nfs/dbraw/zinc/17/91/86/145179186.db2.gz VOVITRLYMZJLPR-NVXWUHKLSA-N 2 2 319.449 2.035 10 0 DEAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(C)OCCCO1 ZINC000249107439 145179189 /nfs/dbraw/zinc/17/91/89/145179189.db2.gz VOVITRLYMZJLPR-NVXWUHKLSA-N 2 2 319.449 2.035 10 0 DEAELP Cc1ccccc1CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261615231 145210229 /nfs/dbraw/zinc/21/02/29/145210229.db2.gz CSEJTROIMATASN-NVXWUHKLSA-N 2 2 317.477 2.101 10 0 DEAELP Cc1ccccc1CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261615231 145210230 /nfs/dbraw/zinc/21/02/30/145210230.db2.gz CSEJTROIMATASN-NVXWUHKLSA-N 2 2 317.477 2.101 10 0 DEAELP Cc1ccc(NC(=O)C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1F ZINC000261850782 145233944 /nfs/dbraw/zinc/23/39/44/145233944.db2.gz DLPKUZMNLNHYPK-NNQSOWQGSA-N 2 2 305.397 2.287 10 0 DEAELP Cc1ccc(NC(=O)C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1F ZINC000261850782 145233946 /nfs/dbraw/zinc/23/39/46/145233946.db2.gz DLPKUZMNLNHYPK-NNQSOWQGSA-N 2 2 305.397 2.287 10 0 DEAELP CCc1ccc(NC(=O)C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000261931499 145243276 /nfs/dbraw/zinc/24/32/76/145243276.db2.gz JNYPCGAATMIVLO-SJPCQFCGSA-N 2 2 301.434 2.402 10 0 DEAELP CCc1ccc(NC(=O)C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000261931499 145243277 /nfs/dbraw/zinc/24/32/77/145243277.db2.gz JNYPCGAATMIVLO-SJPCQFCGSA-N 2 2 301.434 2.402 10 0 DEAELP C[C@H](c1nc(-c2cccnc2)no1)[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261928206 145243342 /nfs/dbraw/zinc/24/33/42/145243342.db2.gz ZNMPTLLGGGFDBZ-DGCLKSJQSA-N 2 2 301.394 2.252 10 0 DEAELP C[C@H](c1nc(-c2cccnc2)no1)[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261928206 145243343 /nfs/dbraw/zinc/24/33/43/145243343.db2.gz ZNMPTLLGGGFDBZ-DGCLKSJQSA-N 2 2 301.394 2.252 10 0 DEAELP Cc1cccc(NC(=O)C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1C ZINC000261956590 145246979 /nfs/dbraw/zinc/24/69/79/145246979.db2.gz ODHNTXLYSVDQKJ-XYPWUTKMSA-N 2 2 301.434 2.457 10 0 DEAELP Cc1cccc(NC(=O)C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1C ZINC000261956590 145246981 /nfs/dbraw/zinc/24/69/81/145246981.db2.gz ODHNTXLYSVDQKJ-XYPWUTKMSA-N 2 2 301.434 2.457 10 0 DEAELP Cn1c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C(C)(C)C3)cc2sc1=O ZINC000262026676 145254743 /nfs/dbraw/zinc/25/47/43/145254743.db2.gz WPPYJWHEJRWSRP-CQSZACIVSA-N 2 2 305.447 2.159 10 0 DEAELP Cn1c2ccc(C[N@H+]3CC[C@@H]([NH3+])C(C)(C)C3)cc2sc1=O ZINC000262026676 145254744 /nfs/dbraw/zinc/25/47/44/145254744.db2.gz WPPYJWHEJRWSRP-CQSZACIVSA-N 2 2 305.447 2.159 10 0 DEAELP Cc1ccc2oc(N3CC[NH+](C[C@]4(C)CC[NH2+]C4)CC3)nc2c1 ZINC000262045939 145256481 /nfs/dbraw/zinc/25/64/81/145256481.db2.gz PRSSQYLYFHTBPW-GOSISDBHSA-N 2 2 314.433 2.258 10 0 DEAELP C[C@@H]1CCC[N@H+](Cc2ccc3c(c2)sc(=O)n3C)[C@H]1C[NH3+] ZINC000262047881 145257176 /nfs/dbraw/zinc/25/71/76/145257176.db2.gz ZGCHUBPPHRMIRT-RISCZKNCSA-N 2 2 305.447 2.159 10 0 DEAELP C[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)sc(=O)n3C)[C@H]1C[NH3+] ZINC000262047881 145257179 /nfs/dbraw/zinc/25/71/79/145257179.db2.gz ZGCHUBPPHRMIRT-RISCZKNCSA-N 2 2 305.447 2.159 10 0 DEAELP C[C@H]1Cc2ccccc2N1C(=O)C[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000262573584 145294448 /nfs/dbraw/zinc/29/44/48/145294448.db2.gz XTPLJDIEIIONND-XJKSGUPXSA-N 2 2 301.434 2.023 10 0 DEAELP C[C@H]1Cc2ccccc2N1C(=O)C[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000262573584 145294449 /nfs/dbraw/zinc/29/44/49/145294449.db2.gz XTPLJDIEIIONND-XJKSGUPXSA-N 2 2 301.434 2.023 10 0 DEAELP CCC(C)(C)NC(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134879633 401918286 /nfs/dbraw/zinc/91/82/86/401918286.db2.gz ZOTXLGHWNPFLES-GDBMZVCRSA-N 2 2 307.482 2.240 10 0 DEAELP CCC(C)(C)NC(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134879633 401918289 /nfs/dbraw/zinc/91/82/89/401918289.db2.gz ZOTXLGHWNPFLES-GDBMZVCRSA-N 2 2 307.482 2.240 10 0 DEAELP CCC(C)(C)NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134879633 401918291 /nfs/dbraw/zinc/91/82/91/401918291.db2.gz ZOTXLGHWNPFLES-GDBMZVCRSA-N 2 2 307.482 2.240 10 0 DEAELP CCC(C)(C)NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134879633 401918294 /nfs/dbraw/zinc/91/82/94/401918294.db2.gz ZOTXLGHWNPFLES-GDBMZVCRSA-N 2 2 307.482 2.240 10 0 DEAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1nc2ccccc2n1C ZINC000091318961 401996244 /nfs/dbraw/zinc/99/62/44/401996244.db2.gz MVIZEKFTCVPOCF-HUUCEWRRSA-N 2 2 316.449 2.335 10 0 DEAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1nc2ccccc2n1C ZINC000091318961 401996245 /nfs/dbraw/zinc/99/62/45/401996245.db2.gz MVIZEKFTCVPOCF-HUUCEWRRSA-N 2 2 316.449 2.335 10 0 DEAELP [NH3+]CCCOC1CCN(c2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000094073194 402022394 /nfs/dbraw/zinc/02/23/94/402022394.db2.gz XYBCNCXIROGKQY-UHFFFAOYSA-N 2 2 303.328 2.435 10 0 DEAELP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc(F)cc1N(C)C ZINC000151320740 402029786 /nfs/dbraw/zinc/02/97/86/402029786.db2.gz LDOSMTFVIZBUHL-HOCLYGCPSA-N 2 2 323.456 2.389 10 0 DEAELP C[C@@H]1CCC[C@H](NC(=O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)[C@@H]1C ZINC000123421626 402126959 /nfs/dbraw/zinc/12/69/59/402126959.db2.gz QMEJWCWOFMCQQP-HHARLNAUSA-N 2 2 309.498 2.342 10 0 DEAELP C[C@@H]1CCC[C@H](NC(=O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)[C@@H]1C ZINC000123421626 402126960 /nfs/dbraw/zinc/12/69/60/402126960.db2.gz QMEJWCWOFMCQQP-HHARLNAUSA-N 2 2 309.498 2.342 10 0 DEAELP C[C@@H]1CCC[C@H](NC(=O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)[C@@H]1C ZINC000123421626 402126964 /nfs/dbraw/zinc/12/69/64/402126964.db2.gz QMEJWCWOFMCQQP-HHARLNAUSA-N 2 2 309.498 2.342 10 0 DEAELP C[C@@H]1CCC[C@H](NC(=O)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)[C@@H]1C ZINC000123421626 402126966 /nfs/dbraw/zinc/12/69/66/402126966.db2.gz QMEJWCWOFMCQQP-HHARLNAUSA-N 2 2 309.498 2.342 10 0 DEAELP C[NH+](C)CCCN(CCC[NH+](C)C)c1cc[nH+]c(C2CC2)n1 ZINC000176669013 402327233 /nfs/dbraw/zinc/32/72/33/402327233.db2.gz GLLKXZJZWWUOSU-UHFFFAOYSA-N 3 2 305.470 2.064 10 0 DEAELP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]1CCCn2cc[nH+]c21 ZINC000245422136 402458624 /nfs/dbraw/zinc/45/86/24/402458624.db2.gz PACXHIMJNYGREC-FZKCQIBNSA-N 2 2 318.465 2.243 10 0 DEAELP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]1CCCn2cc[nH+]c21 ZINC000245422136 402458625 /nfs/dbraw/zinc/45/86/25/402458625.db2.gz PACXHIMJNYGREC-FZKCQIBNSA-N 2 2 318.465 2.243 10 0 DEAELP CC(=O)Nc1nc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cs1 ZINC000178292640 402480451 /nfs/dbraw/zinc/48/04/51/402480451.db2.gz AAXOUQQBJXHFHL-CQSZACIVSA-N 2 2 319.434 2.271 10 0 DEAELP CC(=O)Nc1nc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cs1 ZINC000178292640 402480452 /nfs/dbraw/zinc/48/04/52/402480452.db2.gz AAXOUQQBJXHFHL-CQSZACIVSA-N 2 2 319.434 2.271 10 0 DEAELP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ncc(Cl)n2C)C1 ZINC000178425327 402496878 /nfs/dbraw/zinc/49/68/78/402496878.db2.gz NKXYQKXBQXVGOL-LBPRGKRZSA-N 2 2 307.829 2.262 10 0 DEAELP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ncc(Cl)n2C)C1 ZINC000178425327 402496879 /nfs/dbraw/zinc/49/68/79/402496879.db2.gz NKXYQKXBQXVGOL-LBPRGKRZSA-N 2 2 307.829 2.262 10 0 DEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@@H](O)COCC(C)C)C1 ZINC000247243145 402561621 /nfs/dbraw/zinc/56/16/21/402561621.db2.gz SMZJJSCAKJAMIB-HZPDHXFCSA-N 2 2 309.454 2.116 10 0 DEAELP C[C@H]([NH2+]CC(=O)N(C)CC1CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189911278 402566580 /nfs/dbraw/zinc/56/65/80/402566580.db2.gz ZWXITNHJQKWHRM-AWEZNQCLSA-N 2 2 312.417 2.391 10 0 DEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCn2c(C)csc2=O)C1 ZINC000171613568 402601339 /nfs/dbraw/zinc/60/13/39/402601339.db2.gz WZZJNPNODZYXAM-CQSZACIVSA-N 2 2 320.462 2.314 10 0 DEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCn2c(C)csc2=O)C1 ZINC000171613568 402601341 /nfs/dbraw/zinc/60/13/41/402601341.db2.gz WZZJNPNODZYXAM-CQSZACIVSA-N 2 2 320.462 2.314 10 0 DEAELP c1cn2c(cccc2C[N@H+]2CCCC[C@@H]2CN2CCOCC2)[nH+]1 ZINC000180027469 402605748 /nfs/dbraw/zinc/60/57/48/402605748.db2.gz TYJLFNNLFGSMPF-MRXNPFEDSA-N 2 2 314.433 2.021 10 0 DEAELP c1cn2c(cccc2C[N@@H+]2CCCC[C@@H]2CN2CCOCC2)[nH+]1 ZINC000180027469 402605751 /nfs/dbraw/zinc/60/57/51/402605751.db2.gz TYJLFNNLFGSMPF-MRXNPFEDSA-N 2 2 314.433 2.021 10 0 DEAELP C[C@H]([NH2+]CCN1CCO[C@@H](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000192793841 402750522 /nfs/dbraw/zinc/75/05/22/402750522.db2.gz UROZBQRUYPTKFC-HOTGVXAUSA-N 2 2 314.433 2.244 10 0 DEAELP CC(C)Cn1cc[nH+]c1CNC(=O)NCC[NH+]1CCC(C)CC1 ZINC000175473594 402809654 /nfs/dbraw/zinc/80/96/54/402809654.db2.gz VMWFBHYQOXNJHJ-UHFFFAOYSA-N 2 2 321.469 2.070 10 0 DEAELP Cc1cc(NC(=O)[C@H](C)[NH+]2CCC(C[NH+]3CCCC3)CC2)on1 ZINC000194733147 402813092 /nfs/dbraw/zinc/81/30/92/402813092.db2.gz JDAKTQPHAKQHTC-AWEZNQCLSA-N 2 2 320.437 2.118 10 0 DEAELP CCC1(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CCC1 ZINC000176020761 402848212 /nfs/dbraw/zinc/84/82/12/402848212.db2.gz XHXIYIZIZZOZMM-UHFFFAOYSA-N 2 2 322.497 2.177 10 0 DEAELP CC(C)(C)CCNC(=O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000195515996 402848767 /nfs/dbraw/zinc/84/87/67/402848767.db2.gz UYTOAOTZXXMFJZ-HNNXBMFYSA-N 2 2 318.465 2.368 10 0 DEAELP CC(C)(C)CCNC(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000195515996 402848769 /nfs/dbraw/zinc/84/87/69/402848769.db2.gz UYTOAOTZXXMFJZ-HNNXBMFYSA-N 2 2 318.465 2.368 10 0 DEAELP O=C(C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)Nc1ccccc1 ZINC000195515723 402848796 /nfs/dbraw/zinc/84/87/96/402848796.db2.gz YZXRIOGFGGPPME-HNNXBMFYSA-N 2 2 310.401 2.454 10 0 DEAELP O=C(C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)Nc1ccccc1 ZINC000195515723 402848798 /nfs/dbraw/zinc/84/87/98/402848798.db2.gz YZXRIOGFGGPPME-HNNXBMFYSA-N 2 2 310.401 2.454 10 0 DEAELP C[N@H+](CCO)C1(CNc2cc[nH+]c(C3CC3)n2)CCCCC1 ZINC000301289899 403611521 /nfs/dbraw/zinc/61/15/21/403611521.db2.gz PWGMZCISFCKAFT-UHFFFAOYSA-N 2 2 304.438 2.393 10 0 DEAELP C[N@@H+](CCO)C1(CNc2cc[nH+]c(C3CC3)n2)CCCCC1 ZINC000301289899 403611526 /nfs/dbraw/zinc/61/15/26/403611526.db2.gz PWGMZCISFCKAFT-UHFFFAOYSA-N 2 2 304.438 2.393 10 0 DEAELP c1nc(N2CCC(C[NH+]3CCCC3)CC2)cc(N2CCCC2)[nH+]1 ZINC000302808851 403728348 /nfs/dbraw/zinc/72/83/48/403728348.db2.gz XZDPTXWCZHGCAT-UHFFFAOYSA-N 2 2 315.465 2.389 10 0 DEAELP c1nc(N2CCCC2)cc(N2CCC(C[NH+]3CCCC3)CC2)[nH+]1 ZINC000302808851 403728351 /nfs/dbraw/zinc/72/83/51/403728351.db2.gz XZDPTXWCZHGCAT-UHFFFAOYSA-N 2 2 315.465 2.389 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCC[NH2+]C(C)(C)C)C2 ZINC000366670436 404829087 /nfs/dbraw/zinc/82/90/87/404829087.db2.gz ARUHXWYIEWGXQG-LBPRGKRZSA-N 2 2 306.454 2.142 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCC[NH2+]C(C)(C)C)CC2 ZINC000366670436 404829089 /nfs/dbraw/zinc/82/90/89/404829089.db2.gz ARUHXWYIEWGXQG-LBPRGKRZSA-N 2 2 306.454 2.142 10 0 DEAELP O=C(CCn1cc[nH+]c1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000360927131 404853818 /nfs/dbraw/zinc/85/38/18/404853818.db2.gz DAPPJYJVPMKIEZ-QGZVFWFLSA-N 2 2 318.465 2.388 10 0 DEAELP CC(C)OC[C@H](O)C[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000390631186 405046492 /nfs/dbraw/zinc/04/64/92/405046492.db2.gz AKDZHNZTBGDHTC-QZTJIDSGSA-N 2 2 306.450 2.027 10 0 DEAELP CC(C)OC[C@H](O)C[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000390631186 405046497 /nfs/dbraw/zinc/04/64/97/405046497.db2.gz AKDZHNZTBGDHTC-QZTJIDSGSA-N 2 2 306.450 2.027 10 0 DEAELP C[C@@H]1CCOCC[N@@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000367460164 405056474 /nfs/dbraw/zinc/05/64/74/405056474.db2.gz YYGYOZSLWUJJDX-IEBWSBKVSA-N 2 2 318.461 2.388 10 0 DEAELP C[C@@H]1CCOCC[N@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000367460164 405056478 /nfs/dbraw/zinc/05/64/78/405056478.db2.gz YYGYOZSLWUJJDX-IEBWSBKVSA-N 2 2 318.461 2.388 10 0 DEAELP C[C@@H]1CCOCC[NH+]1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000367460164 405056486 /nfs/dbraw/zinc/05/64/86/405056486.db2.gz YYGYOZSLWUJJDX-IEBWSBKVSA-N 2 2 318.461 2.388 10 0 DEAELP C[C@@H]1CCOCC[NH+]1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000367460164 405056490 /nfs/dbraw/zinc/05/64/90/405056490.db2.gz YYGYOZSLWUJJDX-IEBWSBKVSA-N 2 2 318.461 2.388 10 0 DEAELP O=C1[C@H]([N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)CCN1C1CC1 ZINC000361400144 405056710 /nfs/dbraw/zinc/05/67/10/405056710.db2.gz MBDYYGXKWZHHAB-FUHWJXTLSA-N 2 2 319.493 2.338 10 0 DEAELP O=C1[C@H]([N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)CCN1C1CC1 ZINC000361400144 405056716 /nfs/dbraw/zinc/05/67/16/405056716.db2.gz MBDYYGXKWZHHAB-FUHWJXTLSA-N 2 2 319.493 2.338 10 0 DEAELP c1[nH+]c([C@@H]2CCC[N@@H+](CC[C@H]3CC[NH2+]C3)C2)n2c1CCCC2 ZINC000420378955 405338224 /nfs/dbraw/zinc/33/82/24/405338224.db2.gz UURKKIMUMUCYKZ-HZPDHXFCSA-N 3 2 302.466 2.398 10 0 DEAELP c1[nH+]c([C@@H]2CCC[N@H+](CC[C@H]3CC[NH2+]C3)C2)n2c1CCCC2 ZINC000420378955 405338226 /nfs/dbraw/zinc/33/82/26/405338226.db2.gz UURKKIMUMUCYKZ-HZPDHXFCSA-N 3 2 302.466 2.398 10 0 DEAELP C[C@@H](C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)S(C)(=O)=O ZINC000450352798 405852261 /nfs/dbraw/zinc/85/22/61/405852261.db2.gz ZSXNAZYTZNXMPW-HOTGVXAUSA-N 2 2 316.511 2.008 10 0 DEAELP C[C@@H](C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)S(C)(=O)=O ZINC000450352798 405852270 /nfs/dbraw/zinc/85/22/70/405852270.db2.gz ZSXNAZYTZNXMPW-HOTGVXAUSA-N 2 2 316.511 2.008 10 0 DEAELP CC(=O)[C@@](C)(O)C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000567994865 406177425 /nfs/dbraw/zinc/17/74/25/406177425.db2.gz XEMHDOKKOIUDLZ-RDJZCZTQSA-N 2 2 324.490 2.150 10 0 DEAELP CC(=O)[C@@](C)(O)C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000567994865 406177426 /nfs/dbraw/zinc/17/74/26/406177426.db2.gz XEMHDOKKOIUDLZ-RDJZCZTQSA-N 2 2 324.490 2.150 10 0 DEAELP CC(=O)[C@@](C)(O)C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000567994865 406177428 /nfs/dbraw/zinc/17/74/28/406177428.db2.gz XEMHDOKKOIUDLZ-RDJZCZTQSA-N 2 2 324.490 2.150 10 0 DEAELP CC(=O)[C@@](C)(O)C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000567994865 406177431 /nfs/dbraw/zinc/17/74/31/406177431.db2.gz XEMHDOKKOIUDLZ-RDJZCZTQSA-N 2 2 324.490 2.150 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1C[C@@H](C)[N@H+](C)C[C@H]1C)C2 ZINC000526010069 406532565 /nfs/dbraw/zinc/53/25/65/406532565.db2.gz NFFYGVBIAGLKDH-MGPQQGTHSA-N 2 2 318.465 2.189 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1C[C@@H](C)[N@@H+](C)C[C@H]1C)C2 ZINC000526010069 406532569 /nfs/dbraw/zinc/53/25/69/406532569.db2.gz NFFYGVBIAGLKDH-MGPQQGTHSA-N 2 2 318.465 2.189 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1C[C@@H](C)[N@H+](C)C[C@H]1C)CC2 ZINC000526010069 406532574 /nfs/dbraw/zinc/53/25/74/406532574.db2.gz NFFYGVBIAGLKDH-MGPQQGTHSA-N 2 2 318.465 2.189 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1C[C@@H](C)[N@@H+](C)C[C@H]1C)CC2 ZINC000526010069 406532577 /nfs/dbraw/zinc/53/25/77/406532577.db2.gz NFFYGVBIAGLKDH-MGPQQGTHSA-N 2 2 318.465 2.189 10 0 DEAELP CC[C@@H](CCO)[NH2+][C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000134382612 196384437 /nfs/dbraw/zinc/38/44/37/196384437.db2.gz HAZWMKQOVAAAJC-STQMWFEESA-N 2 2 301.228 2.200 10 0 DEAELP CCc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)N2CC[NH+](CC)CC2)cc1 ZINC000192661987 424864521 /nfs/dbraw/zinc/86/45/21/424864521.db2.gz DHFOZTCVDDHQHJ-CVEARBPZSA-N 2 2 317.477 2.452 10 0 DEAELP c1coc(-c2noc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)n2)c1 ZINC000386969329 424912288 /nfs/dbraw/zinc/91/22/88/424912288.db2.gz XXXQQOPMIZSRTP-STQMWFEESA-N 2 2 302.378 2.294 10 0 DEAELP c1coc(-c2noc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)n2)c1 ZINC000386969329 424912290 /nfs/dbraw/zinc/91/22/90/424912290.db2.gz XXXQQOPMIZSRTP-STQMWFEESA-N 2 2 302.378 2.294 10 0 DEAELP CN(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000302891723 424892671 /nfs/dbraw/zinc/89/26/71/424892671.db2.gz JXOTZXZCWPRKKX-MSOLQXFVSA-N 2 2 315.461 2.109 10 0 DEAELP CN(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000302891723 424892675 /nfs/dbraw/zinc/89/26/75/424892675.db2.gz JXOTZXZCWPRKKX-MSOLQXFVSA-N 2 2 315.461 2.109 10 0 DEAELP C[N@@H+]1CC[C@@H](CNc2cc[nH+]c(C3CC3)n2)[C@@H]1c1cccnc1 ZINC000328640950 424901863 /nfs/dbraw/zinc/90/18/63/424901863.db2.gz XRHXYKOUFWAQSO-RDJZCZTQSA-N 2 2 309.417 2.854 10 0 DEAELP C[N@H+]1CC[C@@H](CNc2cc[nH+]c(C3CC3)n2)[C@@H]1c1cccnc1 ZINC000328640950 424901866 /nfs/dbraw/zinc/90/18/66/424901866.db2.gz XRHXYKOUFWAQSO-RDJZCZTQSA-N 2 2 309.417 2.854 10 0 DEAELP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000398047015 269108040 /nfs/dbraw/zinc/10/80/40/269108040.db2.gz WDVTYVKTVFONIN-FPAYPSAMSA-N 3 2 301.478 2.485 10 0 DEAELP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000398047015 269108041 /nfs/dbraw/zinc/10/80/41/269108041.db2.gz WDVTYVKTVFONIN-FPAYPSAMSA-N 3 2 301.478 2.485 10 0 DEAELP CCN(C(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)c1ccccc1 ZINC000248123515 276061474 /nfs/dbraw/zinc/06/14/74/276061474.db2.gz NRGKNRAKKCAELU-FUHWJXTLSA-N 2 2 315.461 2.456 10 0 DEAELP CCN(C(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)c1ccccc1 ZINC000248123515 276061476 /nfs/dbraw/zinc/06/14/76/276061476.db2.gz NRGKNRAKKCAELU-FUHWJXTLSA-N 2 2 315.461 2.456 10 0 DEAELP CCN(C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)c1ccccc1 ZINC000248123515 276061477 /nfs/dbraw/zinc/06/14/77/276061477.db2.gz NRGKNRAKKCAELU-FUHWJXTLSA-N 2 2 315.461 2.456 10 0 DEAELP CCN(C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)c1ccccc1 ZINC000248123515 276061478 /nfs/dbraw/zinc/06/14/78/276061478.db2.gz NRGKNRAKKCAELU-FUHWJXTLSA-N 2 2 315.461 2.456 10 0 DEAELP CC1(C)C[N@H+](CC(=O)NC23CC4CC(CC(C4)C2)C3)CC[C@@H]1[NH3+] ZINC000261698861 281231552 /nfs/dbraw/zinc/23/15/52/281231552.db2.gz HYQLBATVSNLAEO-DZPQGLOJSA-N 2 2 319.493 2.131 10 0 DEAELP CC1(C)C[N@@H+](CC(=O)NC23CC4CC(CC(C4)C2)C3)CC[C@@H]1[NH3+] ZINC000261698861 281231555 /nfs/dbraw/zinc/23/15/55/281231555.db2.gz HYQLBATVSNLAEO-DZPQGLOJSA-N 2 2 319.493 2.131 10 0 DEAELP CCCCOC[C@H](O)C[NH2+][C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000398014632 337303881 /nfs/dbraw/zinc/30/38/81/337303881.db2.gz FVCJQJABFWECGI-YTQUADARSA-N 2 2 320.477 2.417 10 0 DEAELP CCCCOC[C@H](O)C[NH2+][C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000398014632 337303882 /nfs/dbraw/zinc/30/38/82/337303882.db2.gz FVCJQJABFWECGI-YTQUADARSA-N 2 2 320.477 2.417 10 0 DEAELP c1nc2cnccn2c1C[N@@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000299744863 534538065 /nfs/dbraw/zinc/53/80/65/534538065.db2.gz VAOBDRRFQCFZKZ-AWEZNQCLSA-N 2 2 322.416 2.252 10 0 DEAELP c1nc2cnccn2c1C[N@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000299744863 534538071 /nfs/dbraw/zinc/53/80/71/534538071.db2.gz VAOBDRRFQCFZKZ-AWEZNQCLSA-N 2 2 322.416 2.252 10 0 DEAELP CC[N@@H+]1CCC[C@H](NC(=O)NCCCCNc2cccc[nH+]2)C1 ZINC000105174572 521644264 /nfs/dbraw/zinc/64/42/64/521644264.db2.gz YLJFUQVOUXISRR-HNNXBMFYSA-N 2 2 319.453 2.057 10 0 DEAELP CC[N@H+]1CCC[C@H](NC(=O)NCCCCNc2cccc[nH+]2)C1 ZINC000105174572 521644268 /nfs/dbraw/zinc/64/42/68/521644268.db2.gz YLJFUQVOUXISRR-HNNXBMFYSA-N 2 2 319.453 2.057 10 0 DEAELP Cc1nc(NC[C@@H]2C[N@@H+]3CCCC[C@H]3CO2)c2c([nH+]1)CCCC2 ZINC000302074985 534624017 /nfs/dbraw/zinc/62/40/17/534624017.db2.gz GOHUZKZEJGJXKA-LSDHHAIUSA-N 2 2 316.449 2.329 10 0 DEAELP Cc1nc(NC[C@@H]2C[N@H+]3CCCC[C@H]3CO2)c2c([nH+]1)CCCC2 ZINC000302074985 534624023 /nfs/dbraw/zinc/62/40/23/534624023.db2.gz GOHUZKZEJGJXKA-LSDHHAIUSA-N 2 2 316.449 2.329 10 0 DEAELP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]C[C@@H]1COCCO1 ZINC000450750696 534985285 /nfs/dbraw/zinc/98/52/85/534985285.db2.gz BRXGNDXCAOUBBF-MSOLQXFVSA-N 2 2 306.450 2.148 10 0 DEAELP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C[C@@H]1COCCO1 ZINC000450750696 534985292 /nfs/dbraw/zinc/98/52/92/534985292.db2.gz BRXGNDXCAOUBBF-MSOLQXFVSA-N 2 2 306.450 2.148 10 0 DEAELP C[C@@H]1C[N@H+](Cc2cnc(NC(=O)CC3CC3)s2)CC[C@@H]1[NH3+] ZINC000725272092 563577489 /nfs/dbraw/zinc/57/74/89/563577489.db2.gz MDXAZCKEVVSBOI-MFKMUULPSA-N 2 2 308.451 2.051 10 0 DEAELP C[C@@H]1C[N@@H+](Cc2cnc(NC(=O)CC3CC3)s2)CC[C@@H]1[NH3+] ZINC000725272092 563577491 /nfs/dbraw/zinc/57/74/91/563577491.db2.gz MDXAZCKEVVSBOI-MFKMUULPSA-N 2 2 308.451 2.051 10 0 DEAELP Cc1cc2c(nc(N3CCCC3)[nH+]c2NC2CC[NH+](C)CC2)[nH]1 ZINC000223910869 646506317 /nfs/dbraw/zinc/50/63/17/646506317.db2.gz CFCZWDXBUSPRAU-UHFFFAOYSA-N 2 2 314.437 2.373 10 0 DEAELP COCC[N@H+]1[C@H](C)CN(Cc2[nH+]cc(C)c(OC)c2C)C[C@@H]1C ZINC000129805627 684182491 /nfs/dbraw/zinc/18/24/91/684182491.db2.gz MLQFYQXTQISMDA-GASCZTMLSA-N 2 2 321.465 2.248 10 0 DEAELP COCC[N@@H+]1[C@H](C)CN(Cc2[nH+]cc(C)c(OC)c2C)C[C@@H]1C ZINC000129805627 684182494 /nfs/dbraw/zinc/18/24/94/684182494.db2.gz MLQFYQXTQISMDA-GASCZTMLSA-N 2 2 321.465 2.248 10 0 DEAELP C[C@@H]1CCCN(C(=O)/C=C/c2ccc(-n3cc[nH+]c3)cc2)[C@H]1C[NH3+] ZINC000156740161 684291504 /nfs/dbraw/zinc/29/15/04/684291504.db2.gz DBTAKGQLCQBMBU-RMYLNHOSSA-N 2 2 324.428 2.471 10 0 DEAELP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(C(F)(F)F)s1 ZINC000717981596 1081854865 /nfs/dbraw/zinc/85/48/65/1081854865.db2.gz GBGAPEYOSLTWSM-SKDRFNHKSA-N 2 2 308.369 2.484 10 0 DEAELP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(C(F)(F)F)s1 ZINC000717981596 1081854860 /nfs/dbraw/zinc/85/48/60/1081854860.db2.gz GBGAPEYOSLTWSM-SKDRFNHKSA-N 2 2 308.369 2.484 10 0 DEAELP C[C@H](C[NH+]1CCCCC1)[NH2+]CC1CN(C(=O)OC(C)(C)C)C1 ZINC000710838504 1086689144 /nfs/dbraw/zinc/68/91/44/1086689144.db2.gz VTTVELMGVNSUAS-CQSZACIVSA-N 2 2 311.470 2.317 10 0 DEAELP C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000711409804 1087097756 /nfs/dbraw/zinc/09/77/56/1087097756.db2.gz DHUGUEXLIOMMQX-MCIONIFRSA-N 2 2 308.426 2.165 10 0 DEAELP COc1cc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)ccc1F ZINC000153153024 282162697 /nfs/dbraw/zinc/16/26/97/282162697.db2.gz NTFNOGGGCGRCPP-HIFRSBDPSA-N 2 2 310.413 2.332 10 0 DEAELP Cc1cc(Cl)ccc1NC(=O)C[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2[C@@H]1C ZINC000090327483 185291393 /nfs/dbraw/zinc/29/13/93/185291393.db2.gz ZATBDDVWGPCTKK-SGMGOOAPSA-N 2 2 307.825 2.127 10 0 DEAELP Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1C[C@@H]2C[NH2+]C[C@@H]2[C@@H]1C ZINC000090327483 185291394 /nfs/dbraw/zinc/29/13/94/185291394.db2.gz ZATBDDVWGPCTKK-SGMGOOAPSA-N 2 2 307.825 2.127 10 0 DEAELP CC1(C)[C@@H]2C[NH2+]C[C@@H]2C[N@@H+]1Cc1cn2cc(Cl)ccc2n1 ZINC000090337652 185291859 /nfs/dbraw/zinc/29/18/59/185291859.db2.gz HVXQVGLXFQKRIY-BXUZGUMPSA-N 2 2 304.825 2.418 10 0 DEAELP CC1(C)[C@@H]2C[NH2+]C[C@@H]2C[N@H+]1Cc1cn2cc(Cl)ccc2n1 ZINC000090337652 185291860 /nfs/dbraw/zinc/29/18/60/185291860.db2.gz HVXQVGLXFQKRIY-BXUZGUMPSA-N 2 2 304.825 2.418 10 0 DEAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2nc(-c3ccoc3)no2)[C@@H](C)C1 ZINC000245432392 282387896 /nfs/dbraw/zinc/38/78/96/282387896.db2.gz OPBUAIVIWZGIRJ-JSGCOSHPSA-N 2 2 304.394 2.492 10 0 DEAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2nc(-c3ccoc3)no2)[C@@H](C)C1 ZINC000245432392 282387900 /nfs/dbraw/zinc/38/79/00/282387900.db2.gz OPBUAIVIWZGIRJ-JSGCOSHPSA-N 2 2 304.394 2.492 10 0 DEAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2nc(-c3ccoc3)no2)[C@@H](C)C1 ZINC000245432392 282387902 /nfs/dbraw/zinc/38/79/02/282387902.db2.gz OPBUAIVIWZGIRJ-JSGCOSHPSA-N 2 2 304.394 2.492 10 0 DEAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2nc(-c3ccoc3)no2)[C@@H](C)C1 ZINC000245432392 282387907 /nfs/dbraw/zinc/38/79/07/282387907.db2.gz OPBUAIVIWZGIRJ-JSGCOSHPSA-N 2 2 304.394 2.492 10 0 DEAELP CNc1cc(N2CC[C@@H]([NH+]3CCCCC3)C2)nc(SC)[nH+]1 ZINC000149963557 186053574 /nfs/dbraw/zinc/05/35/74/186053574.db2.gz IXJPWNPXQDFTFH-GFCCVEGCSA-N 2 2 307.467 2.305 10 0 DEAELP OC[C@H]([NH2+]CCCn1cc[nH+]c1)c1cccc(Br)c1 ZINC000183898388 186228729 /nfs/dbraw/zinc/22/87/29/186228729.db2.gz LNETXNBNMULSFY-AWEZNQCLSA-N 2 2 324.222 2.359 10 0 DEAELP COC(=O)COc1c(C)cc(C[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1C ZINC000237169915 202175061 /nfs/dbraw/zinc/17/50/61/202175061.db2.gz IFAVQRTYSQVODV-INIZCTEOSA-N 2 2 320.433 2.039 10 0 DEAELP COC(=O)COc1c(C)cc(C[NH2+]C[C@@H]2CCC[N@H+]2C)cc1C ZINC000237169915 202175065 /nfs/dbraw/zinc/17/50/65/202175065.db2.gz IFAVQRTYSQVODV-INIZCTEOSA-N 2 2 320.433 2.039 10 0 DEAELP CC(=O)N1CC[C@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c2ccccc21 ZINC000621761837 364538316 /nfs/dbraw/zinc/53/83/16/364538316.db2.gz OGKQVVYIYMXDEE-ZFWWWQNUSA-N 2 2 310.401 2.355 10 0 DEAELP CC(=O)N1CC[C@H]([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)c2ccccc21 ZINC000621761837 364538319 /nfs/dbraw/zinc/53/83/19/364538319.db2.gz OGKQVVYIYMXDEE-ZFWWWQNUSA-N 2 2 310.401 2.355 10 0 DEAELP CCN(CC)C(=O)C[C@@H](C[NH3+])[N@H+](Cc1cccs1)C1CC1 ZINC000091322792 193040286 /nfs/dbraw/zinc/04/02/86/193040286.db2.gz RMQMAHYUHHWKLC-AWEZNQCLSA-N 2 2 309.479 2.298 10 0 DEAELP CCN(CC)C(=O)C[C@@H](C[NH3+])[N@@H+](Cc1cccs1)C1CC1 ZINC000091322792 193040289 /nfs/dbraw/zinc/04/02/89/193040289.db2.gz RMQMAHYUHHWKLC-AWEZNQCLSA-N 2 2 309.479 2.298 10 0 DEAELP c1ccc2c(c1)CSC[C@@H]2[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091666431 193088626 /nfs/dbraw/zinc/08/86/26/193088626.db2.gz DYRBFUGLUFQZKP-VYDXJSESSA-N 2 2 304.459 2.427 10 0 DEAELP c1ccc2c(c1)CSC[C@@H]2[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091666431 193088628 /nfs/dbraw/zinc/08/86/28/193088628.db2.gz DYRBFUGLUFQZKP-VYDXJSESSA-N 2 2 304.459 2.427 10 0 DEAELP CCC(=O)CCC[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000450782959 242214249 /nfs/dbraw/zinc/21/42/49/242214249.db2.gz ZTKXIMPQEMIIND-IBGZPJMESA-N 2 2 318.461 2.315 10 0 DEAELP CCC(=O)CCC[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000450782959 242214253 /nfs/dbraw/zinc/21/42/53/242214253.db2.gz ZTKXIMPQEMIIND-IBGZPJMESA-N 2 2 318.461 2.315 10 0 DEAELP CCC(=O)CCC[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000450782959 242214257 /nfs/dbraw/zinc/21/42/57/242214257.db2.gz ZTKXIMPQEMIIND-IBGZPJMESA-N 2 2 318.461 2.315 10 0 DEAELP CCC(=O)CCC[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000450782959 242214261 /nfs/dbraw/zinc/21/42/61/242214261.db2.gz ZTKXIMPQEMIIND-IBGZPJMESA-N 2 2 318.461 2.315 10 0 DEAELP C[C@H]1C[C@H]([NH+](C)Cc2cn(C)nc2-c2ccncc2)CC[N@@H+]1C ZINC000093644850 193281951 /nfs/dbraw/zinc/28/19/51/193281951.db2.gz SRCBLBNNVNANHI-WMLDXEAASA-N 2 2 313.449 2.397 10 0 DEAELP C[C@H]1C[C@H]([NH+](C)Cc2cn(C)nc2-c2ccncc2)CC[N@H+]1C ZINC000093644850 193281952 /nfs/dbraw/zinc/28/19/52/193281952.db2.gz SRCBLBNNVNANHI-WMLDXEAASA-N 2 2 313.449 2.397 10 0 DEAELP C[C@H]1C[C@H]([N@H+](C)Cc2cn(C)nc2-c2ccncc2)CC[NH+]1C ZINC000093644850 193281954 /nfs/dbraw/zinc/28/19/54/193281954.db2.gz SRCBLBNNVNANHI-WMLDXEAASA-N 2 2 313.449 2.397 10 0 DEAELP C[C@H]1C[C@H]([N@@H+](C)Cc2cn(C)nc2-c2ccncc2)CC[NH+]1C ZINC000093644850 193281956 /nfs/dbraw/zinc/28/19/56/193281956.db2.gz SRCBLBNNVNANHI-WMLDXEAASA-N 2 2 313.449 2.397 10 0 DEAELP COc1c(C)cc(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1C ZINC000093664360 193285682 /nfs/dbraw/zinc/28/56/82/193285682.db2.gz IPDMYNMNTJXXIS-KRWDZBQOSA-N 2 2 318.461 2.466 10 0 DEAELP COc1c(C)cc(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1C ZINC000093664360 193285684 /nfs/dbraw/zinc/28/56/84/193285684.db2.gz IPDMYNMNTJXXIS-KRWDZBQOSA-N 2 2 318.461 2.466 10 0 DEAELP CC(C)C[C@H](C[NH3+])C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000094698384 193391594 /nfs/dbraw/zinc/39/15/94/193391594.db2.gz HMJHTQUMUZMHON-OAHLLOKOSA-N 2 2 309.479 2.013 10 0 DEAELP C[NH2+][C@H](Cc1ccc(Cl)cc1Cl)[C@@H]1C[NH+]2CCN1CC2 ZINC000094509282 193375349 /nfs/dbraw/zinc/37/53/49/193375349.db2.gz VISLGOLUGQCNRQ-CABCVRRESA-N 2 2 314.260 2.124 10 0 DEAELP COc1c(Cl)cc(C[NH2+]CC[NH2+]C[C@@H](C)O)cc1Cl ZINC000020967746 182256758 /nfs/dbraw/zinc/25/67/58/182256758.db2.gz ASKIVWIHGDYXAN-SECBINFHSA-N 2 2 307.221 2.062 10 0 DEAELP C[N@H+](Cc1cccc(Br)c1)[C@@H](C[NH3+])[C@@H]1CCOC1 ZINC000042440372 183270107 /nfs/dbraw/zinc/27/01/07/183270107.db2.gz ASANKWOHPJDXJE-OCCSQVGLSA-N 2 2 313.239 2.245 10 0 DEAELP C[N@@H+](Cc1cccc(Br)c1)[C@@H](C[NH3+])[C@@H]1CCOC1 ZINC000042440372 183270109 /nfs/dbraw/zinc/27/01/09/183270109.db2.gz ASANKWOHPJDXJE-OCCSQVGLSA-N 2 2 313.239 2.245 10 0 DEAELP COCC[N@H+](C)[C@@H](c1ccc(Br)cc1)[C@H](C)[NH3+] ZINC000042954369 183321465 /nfs/dbraw/zinc/32/14/65/183321465.db2.gz YKLXJYZCEPAQLP-GXFFZTMASA-N 2 2 301.228 2.416 10 0 DEAELP COCC[N@@H+](C)[C@@H](c1ccc(Br)cc1)[C@H](C)[NH3+] ZINC000042954369 183321467 /nfs/dbraw/zinc/32/14/67/183321467.db2.gz YKLXJYZCEPAQLP-GXFFZTMASA-N 2 2 301.228 2.416 10 0 DEAELP C[C@@H]([NH3+])[C@@H](c1ccc(Br)cc1)[N@H+](CCO)C1CC1 ZINC000042955252 183322405 /nfs/dbraw/zinc/32/24/05/183322405.db2.gz XFXYQNWGWOOAII-YGRLFVJLSA-N 2 2 313.239 2.294 10 0 DEAELP C[C@@H]([NH3+])[C@@H](c1ccc(Br)cc1)[N@@H+](CCO)C1CC1 ZINC000042955252 183322407 /nfs/dbraw/zinc/32/24/07/183322407.db2.gz XFXYQNWGWOOAII-YGRLFVJLSA-N 2 2 313.239 2.294 10 0 DEAELP C[C@H]([NH3+])[C@H](c1cccc(Br)c1)[N@H+](CCO)C1CC1 ZINC000043021727 183329627 /nfs/dbraw/zinc/32/96/27/183329627.db2.gz WUYLHAGOIDCMBY-IINYFYTJSA-N 2 2 313.239 2.294 10 0 DEAELP C[C@H]([NH3+])[C@H](c1cccc(Br)c1)[N@@H+](CCO)C1CC1 ZINC000043021727 183329629 /nfs/dbraw/zinc/32/96/29/183329629.db2.gz WUYLHAGOIDCMBY-IINYFYTJSA-N 2 2 313.239 2.294 10 0 DEAELP CC[C@@H]([NH3+])[C@@H](c1sccc1C)[NH+](CCOC)CCOC ZINC000043248093 183347265 /nfs/dbraw/zinc/34/72/65/183347265.db2.gz FWHBSASCHWXFHS-KGLIPLIRSA-N 2 2 300.468 2.430 10 0 DEAELP CC[C@@H]([NH3+])[C@@H](c1sccc1C)[N@@H+]1CCCN(C(C)=O)CC1 ZINC000043248983 183347297 /nfs/dbraw/zinc/34/72/97/183347297.db2.gz FBBPWCASFJCEBX-CABCVRRESA-N 2 2 309.479 2.389 10 0 DEAELP CC[C@@H]([NH3+])[C@@H](c1sccc1C)[N@H+]1CCCN(C(C)=O)CC1 ZINC000043248983 183347299 /nfs/dbraw/zinc/34/72/99/183347299.db2.gz FBBPWCASFJCEBX-CABCVRRESA-N 2 2 309.479 2.389 10 0 DEAELP CC[C@@H](C[NH3+])N1CC[NH+](Cc2cc(Cl)ccc2OC)CC1 ZINC000109460057 194265984 /nfs/dbraw/zinc/26/59/84/194265984.db2.gz JSGMORXKVWFSFK-HNNXBMFYSA-N 2 2 311.857 2.204 10 0 DEAELP CC[NH2+][C@H]1CCCc2nc(N(C)Cc3[nH+]ccn3C)sc21 ZINC000062327836 184230910 /nfs/dbraw/zinc/23/09/10/184230910.db2.gz ICYBFMBBQXAQEO-NSHDSACASA-N 2 2 305.451 2.500 10 0 DEAELP CCCNc1cc(N2CC[N@H+]3CCC[C@@H]3C2)nc(SC)[nH+]1 ZINC000157408000 197185670 /nfs/dbraw/zinc/18/56/70/197185670.db2.gz KDWOWFFWFCEIFU-GFCCVEGCSA-N 2 2 307.467 2.305 10 0 DEAELP CC(=O)N1CCC([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000543248884 285275573 /nfs/dbraw/zinc/27/55/73/285275573.db2.gz GQKAELGFWZULFL-UHFFFAOYSA-N 2 2 304.419 2.034 10 0 DEAELP CC[N@@H+]1C[C@@H](COC)[C@@]2(CC[NH+](Cc3cccc(C)n3)C2)C1 ZINC000247890011 257115490 /nfs/dbraw/zinc/11/54/90/257115490.db2.gz VDFBRPWJUZCKEE-WMZOPIPTSA-N 2 2 303.450 2.180 10 0 DEAELP CC[N@H+]1C[C@@H](COC)[C@@]2(CC[NH+](Cc3cccc(C)n3)C2)C1 ZINC000247890011 257115491 /nfs/dbraw/zinc/11/54/91/257115491.db2.gz VDFBRPWJUZCKEE-WMZOPIPTSA-N 2 2 303.450 2.180 10 0 DEAELP CC[NH+]1C[C@@H](COC)[C@@]2(CC[N@H+](Cc3cccc(C)n3)C2)C1 ZINC000247890011 257115492 /nfs/dbraw/zinc/11/54/92/257115492.db2.gz VDFBRPWJUZCKEE-WMZOPIPTSA-N 2 2 303.450 2.180 10 0 DEAELP CC[NH+]1C[C@@H](COC)[C@@]2(CC[N@@H+](Cc3cccc(C)n3)C2)C1 ZINC000247890011 257115493 /nfs/dbraw/zinc/11/54/93/257115493.db2.gz VDFBRPWJUZCKEE-WMZOPIPTSA-N 2 2 303.450 2.180 10 0 DEAELP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCOc1cccc(Br)c1 ZINC000358012886 133115673 /nfs/dbraw/zinc/11/56/73/133115673.db2.gz BLEMAXFWQHMZOC-FZMZJTMJSA-N 2 2 313.239 2.368 10 0 DEAELP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCOc1cccc(Br)c1 ZINC000358012886 133115674 /nfs/dbraw/zinc/11/56/74/133115674.db2.gz BLEMAXFWQHMZOC-FZMZJTMJSA-N 2 2 313.239 2.368 10 0 DEAELP CC1=CCN(CC[NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000358224718 133129516 /nfs/dbraw/zinc/12/95/16/133129516.db2.gz MQPYDKNNAAHHJS-UHFFFAOYSA-N 2 2 300.450 2.292 10 0 DEAELP COC(=O)[C@@H](C1CC1)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000359605974 133133937 /nfs/dbraw/zinc/13/39/37/133133937.db2.gz YJMPSWKNEQWVMO-SJLPKXTDSA-N 2 2 316.445 2.392 10 0 DEAELP COC(=O)[C@@H](C1CC1)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000359605974 133133938 /nfs/dbraw/zinc/13/39/38/133133938.db2.gz YJMPSWKNEQWVMO-SJLPKXTDSA-N 2 2 316.445 2.392 10 0 DEAELP COC(=O)[C@@H](C1CC1)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000359605974 133133939 /nfs/dbraw/zinc/13/39/39/133133939.db2.gz YJMPSWKNEQWVMO-SJLPKXTDSA-N 2 2 316.445 2.392 10 0 DEAELP COC(=O)[C@@H](C1CC1)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000359605974 133133940 /nfs/dbraw/zinc/13/39/40/133133940.db2.gz YJMPSWKNEQWVMO-SJLPKXTDSA-N 2 2 316.445 2.392 10 0 DEAELP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](C[C@@H]2CC3(CCC3)C(=O)O2)C1 ZINC000192136512 145071763 /nfs/dbraw/zinc/07/17/63/145071763.db2.gz OLJWULHSMVFJMQ-CABCVRRESA-N 2 2 317.433 2.160 10 0 DEAELP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](C[C@@H]2CC3(CCC3)C(=O)O2)C1 ZINC000192136512 145071764 /nfs/dbraw/zinc/07/17/64/145071764.db2.gz OLJWULHSMVFJMQ-CABCVRRESA-N 2 2 317.433 2.160 10 0 DEAELP Cc1cc(Cl)ccc1NC(=O)[C@H](C)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193609552 145087638 /nfs/dbraw/zinc/08/76/38/145087638.db2.gz LUVOKOVEDIYLIU-MELADBBJSA-N 2 2 321.852 2.469 10 0 DEAELP Cc1cc(Cl)ccc1NC(=O)[C@H](C)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193609552 145087639 /nfs/dbraw/zinc/08/76/39/145087639.db2.gz LUVOKOVEDIYLIU-MELADBBJSA-N 2 2 321.852 2.469 10 0 DEAELP Cc1cc(Cl)ccc1NC(=O)[C@H](C)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193609552 145087640 /nfs/dbraw/zinc/08/76/40/145087640.db2.gz LUVOKOVEDIYLIU-MELADBBJSA-N 2 2 321.852 2.469 10 0 DEAELP Cc1cc(Cl)ccc1NC(=O)[C@H](C)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193609552 145087641 /nfs/dbraw/zinc/08/76/41/145087641.db2.gz LUVOKOVEDIYLIU-MELADBBJSA-N 2 2 321.852 2.469 10 0 DEAELP Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193634614 145088007 /nfs/dbraw/zinc/08/80/07/145088007.db2.gz ORBFJJFBCXXXBN-TWMKSMIVSA-N 2 2 315.461 2.054 10 0 DEAELP Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193634614 145088009 /nfs/dbraw/zinc/08/80/09/145088009.db2.gz ORBFJJFBCXXXBN-TWMKSMIVSA-N 2 2 315.461 2.054 10 0 DEAELP Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193634614 145088011 /nfs/dbraw/zinc/08/80/11/145088011.db2.gz ORBFJJFBCXXXBN-TWMKSMIVSA-N 2 2 315.461 2.054 10 0 DEAELP Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193634614 145088014 /nfs/dbraw/zinc/08/80/14/145088014.db2.gz ORBFJJFBCXXXBN-TWMKSMIVSA-N 2 2 315.461 2.054 10 0 DEAELP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1C ZINC000193620334 145088135 /nfs/dbraw/zinc/08/81/35/145088135.db2.gz SJHUGICTTHHJFJ-OAGGEKHMSA-N 2 2 301.434 2.124 10 0 DEAELP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1C ZINC000193620334 145088137 /nfs/dbraw/zinc/08/81/37/145088137.db2.gz SJHUGICTTHHJFJ-OAGGEKHMSA-N 2 2 301.434 2.124 10 0 DEAELP Cc1ccc(NC(=O)[C@@H](C)[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cc1C ZINC000193620334 145088139 /nfs/dbraw/zinc/08/81/39/145088139.db2.gz SJHUGICTTHHJFJ-OAGGEKHMSA-N 2 2 301.434 2.124 10 0 DEAELP Cc1ccc(NC(=O)[C@@H](C)[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cc1C ZINC000193620334 145088141 /nfs/dbraw/zinc/08/81/41/145088141.db2.gz SJHUGICTTHHJFJ-OAGGEKHMSA-N 2 2 301.434 2.124 10 0 DEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@@H](O)COCC(C)C)C1 ZINC000247243158 145131086 /nfs/dbraw/zinc/13/10/86/145131086.db2.gz SMZJJSCAKJAMIB-JKSUJKDBSA-N 2 2 309.454 2.116 10 0 DEAELP CN(C(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)c1ccccc1 ZINC000248167053 145149136 /nfs/dbraw/zinc/14/91/36/145149136.db2.gz TXVKIRNNKFXBOD-NVXWUHKLSA-N 2 2 301.434 2.066 10 0 DEAELP CN(C(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)c1ccccc1 ZINC000248167053 145149137 /nfs/dbraw/zinc/14/91/37/145149137.db2.gz TXVKIRNNKFXBOD-NVXWUHKLSA-N 2 2 301.434 2.066 10 0 DEAELP CN(C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)c1ccccc1 ZINC000248167053 145149138 /nfs/dbraw/zinc/14/91/38/145149138.db2.gz TXVKIRNNKFXBOD-NVXWUHKLSA-N 2 2 301.434 2.066 10 0 DEAELP CN(C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)c1ccccc1 ZINC000248167053 145149140 /nfs/dbraw/zinc/14/91/40/145149140.db2.gz TXVKIRNNKFXBOD-NVXWUHKLSA-N 2 2 301.434 2.066 10 0 DEAELP C[C@@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])c1cccc(-n2cc[nH+]c2)c1 ZINC000261836521 145231766 /nfs/dbraw/zinc/23/17/66/145231766.db2.gz PEEXBOUCKFGMTH-FRFSOERESA-N 2 2 312.417 2.425 10 0 DEAELP C[C@@H]([NH3+])CC(=O)N1CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC000261858356 145234331 /nfs/dbraw/zinc/23/43/31/145234331.db2.gz PLXRHIDIGVAKFD-CHWSQXEVSA-N 2 2 309.841 2.283 10 0 DEAELP C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261923758 145242590 /nfs/dbraw/zinc/24/25/90/145242590.db2.gz YYKBWFZIVGEPHB-QMTHXVAHSA-N 2 2 311.376 2.351 10 0 DEAELP C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261923758 145242593 /nfs/dbraw/zinc/24/25/93/145242593.db2.gz YYKBWFZIVGEPHB-QMTHXVAHSA-N 2 2 311.376 2.351 10 0 DEAELP C[NH2+]CCC1CC[NH+](Cc2noc(Cc3ccccc3)n2)CC1 ZINC000261974635 145248596 /nfs/dbraw/zinc/24/85/96/145248596.db2.gz FJPKQVNWVYWZMJ-UHFFFAOYSA-N 2 2 314.433 2.482 10 0 DEAELP C[C@@]1(C[NH+]2CCN(C(=O)CCC3CCCCC3)CC2)CC[NH2+]C1 ZINC000262002421 145252238 /nfs/dbraw/zinc/25/22/38/145252238.db2.gz LKLPPTOINREERJ-LJQANCHMSA-N 2 2 321.509 2.491 10 0 DEAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262059111 145258671 /nfs/dbraw/zinc/25/86/71/145258671.db2.gz QYJPBRPALSFRRC-WBVHZDCISA-N 3 2 322.522 2.205 10 0 DEAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262059111 145258673 /nfs/dbraw/zinc/25/86/73/145258673.db2.gz QYJPBRPALSFRRC-WBVHZDCISA-N 3 2 322.522 2.205 10 0 DEAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262059111 145258675 /nfs/dbraw/zinc/25/86/75/145258675.db2.gz QYJPBRPALSFRRC-WBVHZDCISA-N 3 2 322.522 2.205 10 0 DEAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262059111 145258677 /nfs/dbraw/zinc/25/86/77/145258677.db2.gz QYJPBRPALSFRRC-WBVHZDCISA-N 3 2 322.522 2.205 10 0 DEAELP C[C@H](c1ccccc1)N(C)C(=O)C[N@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000262127101 145264732 /nfs/dbraw/zinc/26/47/32/145264732.db2.gz XVSNBTYYRJGTDZ-QAPCUYQASA-N 2 2 303.450 2.137 10 0 DEAELP C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000262127101 145264733 /nfs/dbraw/zinc/26/47/33/145264733.db2.gz XVSNBTYYRJGTDZ-QAPCUYQASA-N 2 2 303.450 2.137 10 0 DEAELP Cc1ccccc1CN(C)C(=O)C[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000262553529 145292019 /nfs/dbraw/zinc/29/20/19/145292019.db2.gz SXLZEWFKWCBKOB-INIZCTEOSA-N 2 2 303.450 2.013 10 0 DEAELP Cc1ccccc1CN(C)C(=O)C[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000262553529 145292020 /nfs/dbraw/zinc/29/20/20/145292020.db2.gz SXLZEWFKWCBKOB-INIZCTEOSA-N 2 2 303.450 2.013 10 0 DEAELP [NH3+][C@@H]1CCCC[C@@H]1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000262576576 145294981 /nfs/dbraw/zinc/29/49/81/145294981.db2.gz YFWFMPFYOADSFR-GDBMZVCRSA-N 2 2 321.490 2.300 10 0 DEAELP Cc1[nH+]cc(C[NH2+]CC[C@H](C)[S@](C)=O)n1-c1ccccc1 ZINC000129317919 401802488 /nfs/dbraw/zinc/80/24/88/401802488.db2.gz GMESAEGRBBTVBC-YEJXKQKISA-N 2 2 305.447 2.427 10 0 DEAELP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+](C)C)C1)c1ccccc1 ZINC000114198234 401794398 /nfs/dbraw/zinc/79/43/98/401794398.db2.gz BWTDFIWERKIESR-HRCADAONSA-N 2 2 303.450 2.136 10 0 DEAELP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+](C)C)C1)c1ccccc1 ZINC000114198234 401794400 /nfs/dbraw/zinc/79/44/00/401794400.db2.gz BWTDFIWERKIESR-HRCADAONSA-N 2 2 303.450 2.136 10 0 DEAELP COc1ccc(OC)c([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)c1 ZINC000151255223 402026406 /nfs/dbraw/zinc/02/64/06/402026406.db2.gz FIWMOQDZZCEQQW-CABCVRRESA-N 2 2 322.449 2.201 10 0 DEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000121657529 402047361 /nfs/dbraw/zinc/04/73/61/402047361.db2.gz ASINWUJJVLCFAI-GJZGRUSLSA-N 2 2 321.469 2.067 10 0 DEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000121657529 402047364 /nfs/dbraw/zinc/04/73/64/402047364.db2.gz ASINWUJJVLCFAI-GJZGRUSLSA-N 2 2 321.469 2.067 10 0 DEAELP COc1c(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c(C)nn1C ZINC000092812734 402009647 /nfs/dbraw/zinc/00/96/47/402009647.db2.gz JQCMEWGGXOFFDH-AWEZNQCLSA-N 2 2 315.421 2.066 10 0 DEAELP COc1c(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c(C)nn1C ZINC000092812734 402009649 /nfs/dbraw/zinc/00/96/49/402009649.db2.gz JQCMEWGGXOFFDH-AWEZNQCLSA-N 2 2 315.421 2.066 10 0 DEAELP C[C@H]1C[C@H]([NH+](C)Cc2cccc(C(=O)N(C)C)c2)CC[N@@H+]1C ZINC000123116562 402111198 /nfs/dbraw/zinc/11/11/98/402111198.db2.gz XEOXULBCLNANRT-WMLDXEAASA-N 2 2 303.450 2.303 10 0 DEAELP C[C@H]1C[C@H]([NH+](C)Cc2cccc(C(=O)N(C)C)c2)CC[N@H+]1C ZINC000123116562 402111199 /nfs/dbraw/zinc/11/11/99/402111199.db2.gz XEOXULBCLNANRT-WMLDXEAASA-N 2 2 303.450 2.303 10 0 DEAELP C[C@H]1C[C@H]([N@H+](C)Cc2cccc(C(=O)N(C)C)c2)CC[NH+]1C ZINC000123116562 402111200 /nfs/dbraw/zinc/11/12/00/402111200.db2.gz XEOXULBCLNANRT-WMLDXEAASA-N 2 2 303.450 2.303 10 0 DEAELP C[C@H]1C[C@H]([N@@H+](C)Cc2cccc(C(=O)N(C)C)c2)CC[NH+]1C ZINC000123116562 402111201 /nfs/dbraw/zinc/11/12/01/402111201.db2.gz XEOXULBCLNANRT-WMLDXEAASA-N 2 2 303.450 2.303 10 0 DEAELP COc1ccc2oc(C[NH2+]C[C@@H](O)C[NH+]3CCCCC3)cc2c1 ZINC000124209999 402169023 /nfs/dbraw/zinc/16/90/23/402169023.db2.gz QBQZEBGNGRBMHO-OAHLLOKOSA-N 2 2 318.417 2.378 10 0 DEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)N2CCCCC2)C1 ZINC000105896601 402210622 /nfs/dbraw/zinc/21/06/22/402210622.db2.gz UOFTXCCSZFHZNN-OAHLLOKOSA-N 2 2 304.438 2.095 10 0 DEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)N2CCCCC2)C1 ZINC000105896601 402210624 /nfs/dbraw/zinc/21/06/24/402210624.db2.gz UOFTXCCSZFHZNN-OAHLLOKOSA-N 2 2 304.438 2.095 10 0 DEAELP CCCC[N@H+](C)CC1CC[NH+](Cc2nc(N(C)C)no2)CC1 ZINC000185249580 402338481 /nfs/dbraw/zinc/33/84/81/402338481.db2.gz FTQJYVCIUXMPPO-UHFFFAOYSA-N 2 2 309.458 2.080 10 0 DEAELP CCCC[N@@H+](C)CC1CC[NH+](Cc2nc(N(C)C)no2)CC1 ZINC000185249580 402338483 /nfs/dbraw/zinc/33/84/83/402338483.db2.gz FTQJYVCIUXMPPO-UHFFFAOYSA-N 2 2 309.458 2.080 10 0 DEAELP CC1(C)Cc2cccc(C[NH2+]C[C@H](O)C[NH+]3CCCCC3)c2O1 ZINC000161766522 402398057 /nfs/dbraw/zinc/39/80/57/402398057.db2.gz PGTCKJRYSQDNAB-KRWDZBQOSA-N 2 2 318.461 2.337 10 0 DEAELP C[C@@H]1CCCC[N@@H+]1CCNC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177712415 402429358 /nfs/dbraw/zinc/42/93/58/402429358.db2.gz XRSGIKMMBNSWFI-CQSZACIVSA-N 2 2 315.421 2.008 10 0 DEAELP C[C@@H]1CCCC[N@H+]1CCNC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177712415 402429359 /nfs/dbraw/zinc/42/93/59/402429359.db2.gz XRSGIKMMBNSWFI-CQSZACIVSA-N 2 2 315.421 2.008 10 0 DEAELP C[C@@H](C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)[NH+]1CCCCCC1 ZINC000177774969 402434443 /nfs/dbraw/zinc/43/44/43/402434443.db2.gz PKJXOAYEXUPHLF-JKSUJKDBSA-N 2 2 304.438 2.139 10 0 DEAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cccc(NC(C)=O)c1 ZINC000163263526 402445723 /nfs/dbraw/zinc/44/57/23/402445723.db2.gz DDVJYPKNQZBVKO-KSSFIOAISA-N 2 2 319.449 2.406 10 0 DEAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cccc(NC(C)=O)c1 ZINC000163263526 402445726 /nfs/dbraw/zinc/44/57/26/402445726.db2.gz DDVJYPKNQZBVKO-KSSFIOAISA-N 2 2 319.449 2.406 10 0 DEAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cccc(NC(C)=O)c1 ZINC000163263866 402445913 /nfs/dbraw/zinc/44/59/13/402445913.db2.gz DDVJYPKNQZBVKO-RDTXWAMCSA-N 2 2 319.449 2.406 10 0 DEAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cccc(NC(C)=O)c1 ZINC000163263866 402445916 /nfs/dbraw/zinc/44/59/16/402445916.db2.gz DDVJYPKNQZBVKO-RDTXWAMCSA-N 2 2 319.449 2.406 10 0 DEAELP CCN(C(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1)c1ccccc1 ZINC000245447890 402461262 /nfs/dbraw/zinc/46/12/62/402461262.db2.gz MLQDKDWIIRHWCG-DOTOQJQBSA-N 2 2 303.450 2.454 10 0 DEAELP CCN(C(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1)c1ccccc1 ZINC000245447890 402461266 /nfs/dbraw/zinc/46/12/66/402461266.db2.gz MLQDKDWIIRHWCG-DOTOQJQBSA-N 2 2 303.450 2.454 10 0 DEAELP CCN(C(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000245447890 402461268 /nfs/dbraw/zinc/46/12/68/402461268.db2.gz MLQDKDWIIRHWCG-DOTOQJQBSA-N 2 2 303.450 2.454 10 0 DEAELP CCN(C(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000245447890 402461272 /nfs/dbraw/zinc/46/12/72/402461272.db2.gz MLQDKDWIIRHWCG-DOTOQJQBSA-N 2 2 303.450 2.454 10 0 DEAELP CNC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc1 ZINC000178290520 402480541 /nfs/dbraw/zinc/48/05/41/402480541.db2.gz KFKHAULIBLUHMI-QGZVFWFLSA-N 2 2 312.417 2.216 10 0 DEAELP CNC(=O)c1ccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc1 ZINC000178290520 402480543 /nfs/dbraw/zinc/48/05/43/402480543.db2.gz KFKHAULIBLUHMI-QGZVFWFLSA-N 2 2 312.417 2.216 10 0 DEAELP CCn1nccc1C[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000190478318 402604195 /nfs/dbraw/zinc/60/41/95/402604195.db2.gz OJMDAGVYNWRFAC-QGZVFWFLSA-N 2 2 313.449 2.252 10 0 DEAELP CCn1nccc1C[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000190478318 402604197 /nfs/dbraw/zinc/60/41/97/402604197.db2.gz OJMDAGVYNWRFAC-QGZVFWFLSA-N 2 2 313.449 2.252 10 0 DEAELP CCn1nccc1C[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190478318 402604199 /nfs/dbraw/zinc/60/41/99/402604199.db2.gz OJMDAGVYNWRFAC-QGZVFWFLSA-N 2 2 313.449 2.252 10 0 DEAELP CCn1nccc1C[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000190478318 402604201 /nfs/dbraw/zinc/60/42/01/402604201.db2.gz OJMDAGVYNWRFAC-QGZVFWFLSA-N 2 2 313.449 2.252 10 0 DEAELP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1[nH+]ccc(OC)c1OC ZINC000190909558 402631038 /nfs/dbraw/zinc/63/10/38/402631038.db2.gz HKOBBROTSNNUOC-ZIAGYGMSSA-N 2 2 305.422 2.157 10 0 DEAELP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1[nH+]ccc(OC)c1OC ZINC000190909558 402631039 /nfs/dbraw/zinc/63/10/39/402631039.db2.gz HKOBBROTSNNUOC-ZIAGYGMSSA-N 2 2 305.422 2.157 10 0 DEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cn(C(C)(C)C)nn1 ZINC000191425969 402668785 /nfs/dbraw/zinc/66/87/85/402668785.db2.gz FCVPKWDXQHQMCI-HNNXBMFYSA-N 2 2 302.426 2.203 10 0 DEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cn(C(C)(C)C)nn1 ZINC000191425969 402668787 /nfs/dbraw/zinc/66/87/87/402668787.db2.gz FCVPKWDXQHQMCI-HNNXBMFYSA-N 2 2 302.426 2.203 10 0 DEAELP Cc1ccc(N2CCC(Nc3[nH+]cnc4c3cnn4C)CC2)[nH+]c1 ZINC000172763991 402674418 /nfs/dbraw/zinc/67/44/18/402674418.db2.gz OHPFVDIKHHLTRQ-UHFFFAOYSA-N 2 2 323.404 2.148 10 0 DEAELP COc1ccc([C@@H](C)C[N@H+](CCO)C2CC[NH+](C)CC2)cc1 ZINC000183377868 402761339 /nfs/dbraw/zinc/76/13/39/402761339.db2.gz ABACXDXFHQHBNG-HNNXBMFYSA-N 2 2 306.450 2.187 10 0 DEAELP COc1ccc([C@@H](C)C[N@@H+](CCO)C2CC[NH+](C)CC2)cc1 ZINC000183377868 402761341 /nfs/dbraw/zinc/76/13/41/402761341.db2.gz ABACXDXFHQHBNG-HNNXBMFYSA-N 2 2 306.450 2.187 10 0 DEAELP CC(C)Cn1cc[nH+]c1CNC(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000175477635 402810234 /nfs/dbraw/zinc/81/02/34/402810234.db2.gz UEXPJVUMXGSFIZ-HNNXBMFYSA-N 2 2 321.469 2.070 10 0 DEAELP CC(C)Cn1cc[nH+]c1CNC(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000175477635 402810236 /nfs/dbraw/zinc/81/02/36/402810236.db2.gz UEXPJVUMXGSFIZ-HNNXBMFYSA-N 2 2 321.469 2.070 10 0 DEAELP C[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000195195171 402836079 /nfs/dbraw/zinc/83/60/79/402836079.db2.gz PDGIWWZIJFHUMB-RHSMWYFYSA-N 2 2 311.470 2.317 10 0 DEAELP C[N@H+]1CCC[C@@H]1C[NH2+]C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000195195171 402836081 /nfs/dbraw/zinc/83/60/81/402836081.db2.gz PDGIWWZIJFHUMB-RHSMWYFYSA-N 2 2 311.470 2.317 10 0 DEAELP CC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515878 402848540 /nfs/dbraw/zinc/84/85/40/402848540.db2.gz BFPAPIHJEYMPMR-RRFJBIMHSA-N 2 2 304.438 2.119 10 0 DEAELP CC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515878 402848542 /nfs/dbraw/zinc/84/85/42/402848542.db2.gz BFPAPIHJEYMPMR-RRFJBIMHSA-N 2 2 304.438 2.119 10 0 DEAELP Cc1cc(NC[C@@H](c2cnn(C)c2)[NH+](C)C)nc(C(C)C)[nH+]1 ZINC000301298777 403612638 /nfs/dbraw/zinc/61/26/38/403612638.db2.gz TVTAXOHNMRCSNH-AWEZNQCLSA-N 2 2 302.426 2.357 10 0 DEAELP [NH3+][C@@H]1CCC[C@H]2CN(c3cc(N4CCCCC4)[nH+]cn3)C[C@H]21 ZINC000333135445 403674119 /nfs/dbraw/zinc/67/41/19/403674119.db2.gz BMWYOTUVZDCIJL-RRFJBIMHSA-N 2 2 301.438 2.031 10 0 DEAELP [NH3+][C@@H]1CCC[C@H]2CN(c3cc(N4CCCCC4)nc[nH+]3)C[C@H]21 ZINC000333135445 403674124 /nfs/dbraw/zinc/67/41/24/403674124.db2.gz BMWYOTUVZDCIJL-RRFJBIMHSA-N 2 2 301.438 2.031 10 0 DEAELP Cc1nc([C@H](C)[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)no1 ZINC000330251724 404600730 /nfs/dbraw/zinc/60/07/30/404600730.db2.gz NRIGRMXAVJHSJA-MJBXVCDLSA-N 2 2 322.453 2.260 10 0 DEAELP Cc1nc([C@H](C)[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)no1 ZINC000330251724 404600738 /nfs/dbraw/zinc/60/07/38/404600738.db2.gz NRIGRMXAVJHSJA-MJBXVCDLSA-N 2 2 322.453 2.260 10 0 DEAELP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2ccc(-n3cncn3)cc2)C1 ZINC000365830330 404728010 /nfs/dbraw/zinc/72/80/10/404728010.db2.gz KINHFFPHSNCJSG-INIZCTEOSA-N 2 2 322.416 2.380 10 0 DEAELP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2ccc(-n3cncn3)cc2)C1 ZINC000365830330 404728011 /nfs/dbraw/zinc/72/80/11/404728011.db2.gz KINHFFPHSNCJSG-INIZCTEOSA-N 2 2 322.416 2.380 10 0 DEAELP Cc1scc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1C ZINC000378401712 404953633 /nfs/dbraw/zinc/95/36/33/404953633.db2.gz KRBAYNRFLDJSPU-CQSZACIVSA-N 2 2 321.490 2.263 10 0 DEAELP Cc1scc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1C ZINC000378401712 404953640 /nfs/dbraw/zinc/95/36/40/404953640.db2.gz KRBAYNRFLDJSPU-CQSZACIVSA-N 2 2 321.490 2.263 10 0 DEAELP CC(C)OC[C@H](O)C[NH2+]C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000379633285 405028400 /nfs/dbraw/zinc/02/84/00/405028400.db2.gz TZPIHGKBOJFGJW-RBUKOAKNSA-N 2 2 320.477 2.417 10 0 DEAELP CC(C)OC[C@H](O)C[NH2+]C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000379633285 405028406 /nfs/dbraw/zinc/02/84/06/405028406.db2.gz TZPIHGKBOJFGJW-RBUKOAKNSA-N 2 2 320.477 2.417 10 0 DEAELP c1ccc(N2CC[NH+](CCC[N@H+]3C[C@H]4CC[C@@H](C3)O4)CC2)cc1 ZINC000367540213 405078045 /nfs/dbraw/zinc/07/80/45/405078045.db2.gz JHPQXMCODYATCA-KDURUIRLSA-N 2 2 315.461 2.062 10 0 DEAELP c1ccc(N2CC[NH+](CCC[N@@H+]3C[C@H]4CC[C@@H](C3)O4)CC2)cc1 ZINC000367540213 405078052 /nfs/dbraw/zinc/07/80/52/405078052.db2.gz JHPQXMCODYATCA-KDURUIRLSA-N 2 2 315.461 2.062 10 0 DEAELP c1nc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)n(-c2ccccc2)n1 ZINC000420378021 405337872 /nfs/dbraw/zinc/33/78/72/405337872.db2.gz AWZBFRCBHPTAAF-RDJZCZTQSA-N 2 2 311.433 2.231 10 0 DEAELP c1nc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)n(-c2ccccc2)n1 ZINC000420378021 405337873 /nfs/dbraw/zinc/33/78/73/405337873.db2.gz AWZBFRCBHPTAAF-RDJZCZTQSA-N 2 2 311.433 2.231 10 0 DEAELP CO[C@@]1(C[NH2+]C[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)CCOC1 ZINC000639072795 405861906 /nfs/dbraw/zinc/86/19/06/405861906.db2.gz ZTGVQJDRJGVFDV-RTBURBONSA-N 2 2 318.461 2.436 10 0 DEAELP CO[C@@]1(C[NH2+]C[C@@]2(C)CCC[N@H+]2Cc2ccccc2)CCOC1 ZINC000639072795 405861915 /nfs/dbraw/zinc/86/19/15/405861915.db2.gz ZTGVQJDRJGVFDV-RTBURBONSA-N 2 2 318.461 2.436 10 0 DEAELP CC1=CC[N@H+](CC[NH2+]C2CCC(O)(C(F)(F)F)CC2)CC1 ZINC000546573308 406362162 /nfs/dbraw/zinc/36/21/62/406362162.db2.gz DCFLOAJODFHXFP-UHFFFAOYSA-N 2 2 306.372 2.464 10 0 DEAELP CC1=CC[N@@H+](CC[NH2+]C2CCC(O)(C(F)(F)F)CC2)CC1 ZINC000546573308 406362165 /nfs/dbraw/zinc/36/21/65/406362165.db2.gz DCFLOAJODFHXFP-UHFFFAOYSA-N 2 2 306.372 2.464 10 0 DEAELP c1ccc(CCCO[C@H]2CC[N@H+](CC34CC(C3)C[NH2+]4)C2)cc1 ZINC000634994465 406389403 /nfs/dbraw/zinc/38/94/03/406389403.db2.gz DRWWZUIGQXWUET-XBMUEBEBSA-N 2 2 300.446 2.462 10 0 DEAELP c1ccc(CCCO[C@H]2CC[N@@H+](CC34CC(C3)C[NH2+]4)C2)cc1 ZINC000634994465 406389408 /nfs/dbraw/zinc/38/94/08/406389408.db2.gz DRWWZUIGQXWUET-XBMUEBEBSA-N 2 2 300.446 2.462 10 0 DEAELP CC[N@@H+]1CC[C@H](CNc2nc(NC)[nH+]cc2Br)C1 ZINC000129891116 196083070 /nfs/dbraw/zinc/08/30/70/196083070.db2.gz RLJLYANEYMRVEN-SECBINFHSA-N 2 2 314.231 2.035 10 0 DEAELP CC[N@H+]1CC[C@H](CNc2nc(NC)[nH+]cc2Br)C1 ZINC000129891116 196083072 /nfs/dbraw/zinc/08/30/72/196083072.db2.gz RLJLYANEYMRVEN-SECBINFHSA-N 2 2 314.231 2.035 10 0 DEAELP [NH3+]C1CCN([C@@H]2CC[N@H+](Cc3c(F)cccc3Cl)C2)CC1 ZINC000130602438 196094175 /nfs/dbraw/zinc/09/41/75/196094175.db2.gz CRSUIFRIMQAJBV-CYBMUJFWSA-N 2 2 311.832 2.477 10 0 DEAELP [NH3+]C1CCN([C@@H]2CC[N@@H+](Cc3c(F)cccc3Cl)C2)CC1 ZINC000130602438 196094178 /nfs/dbraw/zinc/09/41/78/196094178.db2.gz CRSUIFRIMQAJBV-CYBMUJFWSA-N 2 2 311.832 2.477 10 0 DEAELP Cn1cc[nH+]c1CN(C(=O)CC1CCC1)[C@H]1CC12CC[NH2+]CC2 ZINC000262025186 225263538 /nfs/dbraw/zinc/26/35/38/225263538.db2.gz NLGXLCQXFWKHNI-HNNXBMFYSA-N 2 2 316.449 2.081 10 0 DEAELP c1ccc([C@@H]2CC[C@H](C[NH2+][C@H](C3CC3)[C@H]3C[NH2+]CCO3)O2)cc1 ZINC000423119711 230357429 /nfs/dbraw/zinc/35/74/29/230357429.db2.gz DINSVBQGIDZOLM-FCGDIQPGSA-N 2 2 316.445 2.263 10 0 DEAELP CC(C)OC[C@@H](O)C[NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000398079689 424922216 /nfs/dbraw/zinc/92/22/16/424922216.db2.gz RFEWAAQCQOLLPF-RBUKOAKNSA-N 2 2 320.477 2.417 10 0 DEAELP CC(C)OC[C@@H](O)C[NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000398079689 424922219 /nfs/dbraw/zinc/92/22/19/424922219.db2.gz RFEWAAQCQOLLPF-RBUKOAKNSA-N 2 2 320.477 2.417 10 0 DEAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NCc2cccs2)[C@H](C)C1 ZINC000081095398 267378014 /nfs/dbraw/zinc/37/80/14/267378014.db2.gz MHDBTSVVIMYPMO-UKRRQHHQSA-N 2 2 309.479 2.026 10 0 DEAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NCc2cccs2)[C@H](C)C1 ZINC000081095398 267378017 /nfs/dbraw/zinc/37/80/17/267378017.db2.gz MHDBTSVVIMYPMO-UKRRQHHQSA-N 2 2 309.479 2.026 10 0 DEAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NCc2cccs2)[C@H](C)C1 ZINC000081095398 267378018 /nfs/dbraw/zinc/37/80/18/267378018.db2.gz MHDBTSVVIMYPMO-UKRRQHHQSA-N 2 2 309.479 2.026 10 0 DEAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NCc2cccs2)[C@H](C)C1 ZINC000081095398 267378019 /nfs/dbraw/zinc/37/80/19/267378019.db2.gz MHDBTSVVIMYPMO-UKRRQHHQSA-N 2 2 309.479 2.026 10 0 DEAELP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCCCOCc1ccccc1 ZINC000390553588 269097318 /nfs/dbraw/zinc/09/73/18/269097318.db2.gz FPUJORLPCWZMAK-WMZOPIPTSA-N 2 2 306.450 2.340 10 0 DEAELP C[C@@H](CCNC(=O)[C@@H]1CCCn2cc[nH+]c21)[NH+]1CCCCC1 ZINC000183130572 277564772 /nfs/dbraw/zinc/56/47/72/277564772.db2.gz ZIPOSDBWQJGDIR-LSDHHAIUSA-N 2 2 304.438 2.141 10 0 DEAELP CC(C)OC[C@H](O)C[NH2+][C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000398165867 337307838 /nfs/dbraw/zinc/30/78/38/337307838.db2.gz TXILHSUGYPGJMN-RYQLBKOJSA-N 2 2 306.450 2.025 10 0 DEAELP CC(C)OC[C@H](O)C[NH2+][C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000398165867 337307839 /nfs/dbraw/zinc/30/78/39/337307839.db2.gz TXILHSUGYPGJMN-RYQLBKOJSA-N 2 2 306.450 2.025 10 0 DEAELP C[C@H](CC1CCOCC1)[NH2+][C@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000328646184 533787819 /nfs/dbraw/zinc/78/78/19/533787819.db2.gz SLXJCSZIBBWOFE-UKPHBRMFSA-N 2 2 307.438 2.435 10 0 DEAELP NC(=O)c1ccc(C[N@@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)cc1 ZINC000299744095 534480330 /nfs/dbraw/zinc/48/03/30/534480330.db2.gz QVPDCKRHDVSDLA-MRXNPFEDSA-N 2 2 324.428 2.308 10 0 DEAELP NC(=O)c1ccc(C[N@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)cc1 ZINC000299744095 534480338 /nfs/dbraw/zinc/48/03/38/534480338.db2.gz QVPDCKRHDVSDLA-MRXNPFEDSA-N 2 2 324.428 2.308 10 0 DEAELP COC(=O)[C@H](C1CC1)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000359605975 536643853 /nfs/dbraw/zinc/64/38/53/536643853.db2.gz YJMPSWKNEQWVMO-WMZOPIPTSA-N 2 2 316.445 2.392 10 0 DEAELP COC(=O)[C@H](C1CC1)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000359605975 536643859 /nfs/dbraw/zinc/64/38/59/536643859.db2.gz YJMPSWKNEQWVMO-WMZOPIPTSA-N 2 2 316.445 2.392 10 0 DEAELP COC(=O)[C@H](C1CC1)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000359605975 536643862 /nfs/dbraw/zinc/64/38/62/536643862.db2.gz YJMPSWKNEQWVMO-WMZOPIPTSA-N 2 2 316.445 2.392 10 0 DEAELP COC(=O)[C@H](C1CC1)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000359605975 536643869 /nfs/dbraw/zinc/64/38/69/536643869.db2.gz YJMPSWKNEQWVMO-WMZOPIPTSA-N 2 2 316.445 2.392 10 0 DEAELP C[NH+](C)C1(C[NH2+]C[C@H]2CCCN2C(=O)OC(C)(C)C)CCC1 ZINC000234255295 623963001 /nfs/dbraw/zinc/96/30/01/623963001.db2.gz YSLLXBVWULEMCV-CQSZACIVSA-N 2 2 311.470 2.460 10 0 DEAELP Oc1ccc(Cl)c(F)c1C[NH2+]CCCC[NH+]1CCOCC1 ZINC000190774534 684413164 /nfs/dbraw/zinc/41/31/64/684413164.db2.gz CCYNEOMTIPWDCY-UHFFFAOYSA-N 2 2 316.804 2.387 10 0 DEAELP CC(C)(C)OC(=O)N1CC(C[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)C1 ZINC000710985901 1086692561 /nfs/dbraw/zinc/69/25/61/1086692561.db2.gz ZRLKIZHHQRJHRJ-CQSZACIVSA-N 2 2 311.470 2.316 10 0 DEAELP CC(C)(C)OC(=O)N1CC(C[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)C1 ZINC000710985901 1086692565 /nfs/dbraw/zinc/69/25/65/1086692565.db2.gz ZRLKIZHHQRJHRJ-CQSZACIVSA-N 2 2 311.470 2.316 10 0 DEAELP COC(C[C@@](C)(C[NH3+])[N@H+](C)Cc1cccc(Cl)c1)OC ZINC000090265794 185288371 /nfs/dbraw/zinc/28/83/71/185288371.db2.gz VNOVRPRXTXEAGI-HNNXBMFYSA-N 2 2 300.830 2.498 10 0 DEAELP COC(C[C@@](C)(C[NH3+])[N@@H+](C)Cc1cccc(Cl)c1)OC ZINC000090265794 185288372 /nfs/dbraw/zinc/28/83/72/185288372.db2.gz VNOVRPRXTXEAGI-HNNXBMFYSA-N 2 2 300.830 2.498 10 0 DEAELP CC(C)(C)OC(=O)NCC[NH+]1CCC(c2cccc(N)[nH+]2)CC1 ZINC000616619094 362897744 /nfs/dbraw/zinc/89/77/44/362897744.db2.gz BRDHSDSZJZVIJQ-UHFFFAOYSA-N 2 2 320.437 2.368 10 0 DEAELP CCC1CCC(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC1 ZINC000175655073 539624371 /nfs/dbraw/zinc/62/43/71/539624371.db2.gz JXFJYMDFWOVCOA-UHFFFAOYSA-N 2 2 324.513 2.280 10 0 DEAELP Cn1ncnc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000180150570 539643920 /nfs/dbraw/zinc/64/39/20/539643920.db2.gz HQHQELNOBWHEDW-ALOPSCKCSA-N 2 2 311.433 2.100 10 0 DEAELP Cn1ncnc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000180150570 539643922 /nfs/dbraw/zinc/64/39/22/539643922.db2.gz HQHQELNOBWHEDW-ALOPSCKCSA-N 2 2 311.433 2.100 10 0 DEAELP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)c2ccccc2C[NH3+])CC1 ZINC000071700473 191009276 /nfs/dbraw/zinc/00/92/76/191009276.db2.gz GSZPFCFMEDKIRN-HNNXBMFYSA-N 2 2 324.428 2.059 10 0 DEAELP CC[C@@H]([NH3+])[C@@H](c1sccc1C)[NH+]1CCC(NC(C)=O)CC1 ZINC000133698483 186008238 /nfs/dbraw/zinc/00/82/38/186008238.db2.gz ODPBNGRACSQRIF-CABCVRRESA-N 2 2 309.479 2.435 10 0 DEAELP Cc1nc(N2C[C@@H](C)[C@H]([NH+](C)C)C2)c(Br)c(C)[nH+]1 ZINC000322942534 539903716 /nfs/dbraw/zinc/90/37/16/539903716.db2.gz IEJYATQBRWEXOT-LDYMZIIASA-N 2 2 313.243 2.242 10 0 DEAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)c2ccoc2)nc[nH+]1 ZINC000180572802 356053109 /nfs/dbraw/zinc/05/31/09/356053109.db2.gz OUEDEORRBBDWRD-OCCSQVGLSA-N 2 2 301.394 2.431 10 0 DEAELP C[N@H+](Cc1cccc2[nH+]ccn21)[C@@H]1CCCN(c2cccnn2)C1 ZINC000180078903 199114792 /nfs/dbraw/zinc/11/47/92/199114792.db2.gz FDPKSFGLKKWYGN-OAHLLOKOSA-N 2 2 322.416 2.225 10 0 DEAELP C[N@@H+](Cc1cccc2[nH+]ccn21)[C@@H]1CCCN(c2cccnn2)C1 ZINC000180078903 199114794 /nfs/dbraw/zinc/11/47/94/199114794.db2.gz FDPKSFGLKKWYGN-OAHLLOKOSA-N 2 2 322.416 2.225 10 0 DEAELP Cc1nccnc1[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000187788014 200156762 /nfs/dbraw/zinc/15/67/62/200156762.db2.gz HOYUWQOKNWMJDQ-OAHLLOKOSA-N 2 2 311.433 2.495 10 0 DEAELP COC(=O)CCC[NH+]1CCC([NH2+]C[C@H](C)c2ccncc2)CC1 ZINC000611409595 361594760 /nfs/dbraw/zinc/59/47/60/361594760.db2.gz BMOJNSUKKNAZBR-HNNXBMFYSA-N 2 2 319.449 2.192 10 0 DEAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](C[C@@H]2CCCCO2)C1 ZINC000195271282 201371827 /nfs/dbraw/zinc/37/18/27/201371827.db2.gz ZPFZBYJDHAFWCJ-ROUUACIJSA-N 2 2 303.450 2.404 10 0 DEAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](C[C@@H]2CCCCO2)C1 ZINC000195271282 201371830 /nfs/dbraw/zinc/37/18/30/201371830.db2.gz ZPFZBYJDHAFWCJ-ROUUACIJSA-N 2 2 303.450 2.404 10 0 DEAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](C[C@@H]2CCCCO2)C1 ZINC000195271282 201371832 /nfs/dbraw/zinc/37/18/32/201371832.db2.gz ZPFZBYJDHAFWCJ-ROUUACIJSA-N 2 2 303.450 2.404 10 0 DEAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](C[C@@H]2CCCCO2)C1 ZINC000195271282 201371835 /nfs/dbraw/zinc/37/18/35/201371835.db2.gz ZPFZBYJDHAFWCJ-ROUUACIJSA-N 2 2 303.450 2.404 10 0 DEAELP COc1cc(C)ccc1C[NH+]1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000449240534 240232440 /nfs/dbraw/zinc/23/24/40/240232440.db2.gz ZCKYWZMKKCTGJN-UHFFFAOYSA-N 2 2 312.417 2.424 10 0 DEAELP Fc1ccccc1N1CC[NH+](CC[C@H]2CSCC[NH2+]2)CC1 ZINC000091292044 193033038 /nfs/dbraw/zinc/03/30/38/193033038.db2.gz ORFPXKVIBHHXBK-AWEZNQCLSA-N 2 2 309.454 2.043 10 0 DEAELP C[N@H+](Cc1ccc(Cl)cc1)[C@H](C[NH3+])CC(=O)NC(C)(C)C ZINC000091321134 193040663 /nfs/dbraw/zinc/04/06/63/193040663.db2.gz NPAUIQPMOWQQFZ-AWEZNQCLSA-N 2 2 311.857 2.404 10 0 DEAELP C[N@@H+](Cc1ccc(Cl)cc1)[C@H](C[NH3+])CC(=O)NC(C)(C)C ZINC000091321134 193040665 /nfs/dbraw/zinc/04/06/65/193040665.db2.gz NPAUIQPMOWQQFZ-AWEZNQCLSA-N 2 2 311.857 2.404 10 0 DEAELP CC[NH2+][C@H](CCCS(=O)(=O)CC)C(C)(C)[NH+](CC)CC ZINC000091531238 193069512 /nfs/dbraw/zinc/06/95/12/193069512.db2.gz VKEGXFLELKFOQK-CQSZACIVSA-N 2 2 306.516 2.300 10 0 DEAELP COc1ccccc1C[NH+]1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000092079716 193154673 /nfs/dbraw/zinc/15/46/73/193154673.db2.gz HMDDVLIMCWXVIZ-OAHLLOKOSA-N 2 2 304.434 2.380 10 0 DEAELP COc1ccccc1C[NH+]1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000092079716 193154675 /nfs/dbraw/zinc/15/46/75/193154675.db2.gz HMDDVLIMCWXVIZ-OAHLLOKOSA-N 2 2 304.434 2.380 10 0 DEAELP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(OC)c3c(c2)OCCO3)C1 ZINC000093770175 193303074 /nfs/dbraw/zinc/30/30/74/193303074.db2.gz FIYOVDVMBYKDAG-AWEZNQCLSA-N 2 2 320.433 2.240 10 0 DEAELP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(OC)c3c(c2)OCCO3)C1 ZINC000093770175 193303076 /nfs/dbraw/zinc/30/30/76/193303076.db2.gz FIYOVDVMBYKDAG-AWEZNQCLSA-N 2 2 320.433 2.240 10 0 DEAELP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(OC)c3c(c2)OCCO3)C1 ZINC000093770175 193303078 /nfs/dbraw/zinc/30/30/78/193303078.db2.gz FIYOVDVMBYKDAG-AWEZNQCLSA-N 2 2 320.433 2.240 10 0 DEAELP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(OC)c3c(c2)OCCO3)C1 ZINC000093770175 193303080 /nfs/dbraw/zinc/30/30/80/193303080.db2.gz FIYOVDVMBYKDAG-AWEZNQCLSA-N 2 2 320.433 2.240 10 0 DEAELP C[NH2+][C@H](c1ccccc1C(F)(F)F)[C@H]1C[N@H+](C)CCN1C ZINC000093894706 193325512 /nfs/dbraw/zinc/32/55/12/193325512.db2.gz QACYFNSDJBGOEE-ZIAGYGMSSA-N 2 2 301.356 2.212 10 0 DEAELP C[NH2+][C@H](c1ccccc1C(F)(F)F)[C@H]1C[N@@H+](C)CCN1C ZINC000093894706 193325513 /nfs/dbraw/zinc/32/55/13/193325513.db2.gz QACYFNSDJBGOEE-ZIAGYGMSSA-N 2 2 301.356 2.212 10 0 DEAELP CCC[NH2+][C@@H]1CCCc2sc([C@H]3C[NH+]4CCN3CC4)nc21 ZINC000094511098 193375216 /nfs/dbraw/zinc/37/52/16/193375216.db2.gz CJNANCRKOWUXQC-CHWSQXEVSA-N 2 2 306.479 2.192 10 0 DEAELP O=C(Nc1ccc(Cl)cc1)[C@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000038042902 284300490 /nfs/dbraw/zinc/30/04/90/284300490.db2.gz NOUJVXGUTWRYGZ-OAHLLOKOSA-N 2 2 307.825 2.495 10 0 DEAELP O=C(Nc1ccc(Cl)cc1)[C@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000038042902 284300492 /nfs/dbraw/zinc/30/04/92/284300492.db2.gz NOUJVXGUTWRYGZ-OAHLLOKOSA-N 2 2 307.825 2.495 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CC[N@H+](C)[C@@H](C)[C@@H]1C)C2 ZINC000530289637 284396592 /nfs/dbraw/zinc/39/65/92/284396592.db2.gz FKVROCGMKNQUAX-MELADBBJSA-N 2 2 318.465 2.189 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CC[N@@H+](C)[C@@H](C)[C@@H]1C)C2 ZINC000530289637 284396593 /nfs/dbraw/zinc/39/65/93/284396593.db2.gz FKVROCGMKNQUAX-MELADBBJSA-N 2 2 318.465 2.189 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CC[N@H+](C)[C@@H](C)[C@@H]1C)CC2 ZINC000530289637 284396595 /nfs/dbraw/zinc/39/65/95/284396595.db2.gz FKVROCGMKNQUAX-MELADBBJSA-N 2 2 318.465 2.189 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CC[N@@H+](C)[C@@H](C)[C@@H]1C)CC2 ZINC000530289637 284396596 /nfs/dbraw/zinc/39/65/96/284396596.db2.gz FKVROCGMKNQUAX-MELADBBJSA-N 2 2 318.465 2.189 10 0 DEAELP CC[NH+](CC)[C@@H]1CCN(c2[nH+]c(C)cc(C)c2C(N)=S)C1 ZINC000110278424 194319294 /nfs/dbraw/zinc/31/92/94/194319294.db2.gz MZMXMRFQRSNPSO-CYBMUJFWSA-N 2 2 306.479 2.253 10 0 DEAELP Cc1cc(C)c(C(N)=S)c(N2CC[C@@H]([NH+]3CCCC3)C2)[nH+]1 ZINC000110278527 194319522 /nfs/dbraw/zinc/31/95/22/194319522.db2.gz NEPCCRFLHQHLDA-CYBMUJFWSA-N 2 2 304.463 2.007 10 0 DEAELP C[NH2+]Cc1cccc(C[NH+]2CCN(CC(F)(F)F)CC2)c1 ZINC000061948289 184198030 /nfs/dbraw/zinc/19/80/30/184198030.db2.gz CYMBXFAPMZHEBO-UHFFFAOYSA-N 2 2 301.356 2.086 10 0 DEAELP C[NH+](C)C(C)(C)CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1F ZINC000062092583 184205581 /nfs/dbraw/zinc/20/55/81/184205581.db2.gz RILMFVSBNWJJEC-MRXNPFEDSA-N 2 2 321.440 2.247 10 0 DEAELP C[NH+](C)C(C)(C)CNC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1F ZINC000062092583 184205582 /nfs/dbraw/zinc/20/55/82/184205582.db2.gz RILMFVSBNWJJEC-MRXNPFEDSA-N 2 2 321.440 2.247 10 0 DEAELP CN(Cc1[nH+]ccn1C)[C@H](C[NH3+])c1cccc(Br)c1 ZINC000062247659 184225273 /nfs/dbraw/zinc/22/52/73/184225273.db2.gz VTURPMMHDXDOSQ-CYBMUJFWSA-N 2 2 323.238 2.314 10 0 DEAELP CCCn1c(C)nnc1C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000159137194 197330324 /nfs/dbraw/zinc/33/03/24/197330324.db2.gz RQPIUQLMZZATLH-OAHLLOKOSA-N 2 2 314.437 2.326 10 0 DEAELP CCCn1c(C)nnc1C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000159137194 197330326 /nfs/dbraw/zinc/33/03/26/197330326.db2.gz RQPIUQLMZZATLH-OAHLLOKOSA-N 2 2 314.437 2.326 10 0 DEAELP C[C@@H]1CCCC[N@@H+]1CC[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000156604812 197126690 /nfs/dbraw/zinc/12/66/90/197126690.db2.gz XEUXLPVJJYUVFZ-CYBMUJFWSA-N 2 2 307.404 2.477 10 0 DEAELP C[C@@H]1CCCC[N@H+]1CC[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000156604812 197126691 /nfs/dbraw/zinc/12/66/91/197126691.db2.gz XEUXLPVJJYUVFZ-CYBMUJFWSA-N 2 2 307.404 2.477 10 0 DEAELP Cc1c[nH+]ccc1NC(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1 ZINC000120738832 132149571 /nfs/dbraw/zinc/14/95/71/132149571.db2.gz FALDJZVHUAAGDC-HNNXBMFYSA-N 2 2 320.437 2.258 10 0 DEAELP C[N@@H+](Cc1ccc(F)nc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000189339311 145026375 /nfs/dbraw/zinc/02/63/75/145026375.db2.gz PXUGFLIKZBHXKB-UHFFFAOYSA-N 2 2 317.412 2.014 10 0 DEAELP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C[C@@H]2CC3(CCC3)C(=O)O2)C1 ZINC000192136506 145071507 /nfs/dbraw/zinc/07/15/07/145071507.db2.gz OLJWULHSMVFJMQ-GJZGRUSLSA-N 2 2 317.433 2.160 10 0 DEAELP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C[C@@H]2CC3(CCC3)C(=O)O2)C1 ZINC000192136506 145071509 /nfs/dbraw/zinc/07/15/09/145071509.db2.gz OLJWULHSMVFJMQ-GJZGRUSLSA-N 2 2 317.433 2.160 10 0 DEAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000193289814 145084176 /nfs/dbraw/zinc/08/41/76/145084176.db2.gz HGBZFSNLDAOJFW-GOSISDBHSA-N 2 2 318.461 2.255 10 0 DEAELP COCC[N@H+]1CCC[C@@H]1C[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000193289814 145084178 /nfs/dbraw/zinc/08/41/78/145084178.db2.gz HGBZFSNLDAOJFW-GOSISDBHSA-N 2 2 318.461 2.255 10 0 DEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N2CCc3ccccc32)[C@@H](C)C1 ZINC000245437732 145092767 /nfs/dbraw/zinc/09/27/67/145092767.db2.gz RRZLUFKENWTZMI-RDJZCZTQSA-N 2 2 315.461 2.238 10 0 DEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N2CCc3ccccc32)[C@@H](C)C1 ZINC000245437732 145092769 /nfs/dbraw/zinc/09/27/69/145092769.db2.gz RRZLUFKENWTZMI-RDJZCZTQSA-N 2 2 315.461 2.238 10 0 DEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N2CCc3ccccc32)[C@@H](C)C1 ZINC000245437732 145092771 /nfs/dbraw/zinc/09/27/71/145092771.db2.gz RRZLUFKENWTZMI-RDJZCZTQSA-N 2 2 315.461 2.238 10 0 DEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N2CCc3ccccc32)[C@@H](C)C1 ZINC000245437732 145092773 /nfs/dbraw/zinc/09/27/73/145092773.db2.gz RRZLUFKENWTZMI-RDJZCZTQSA-N 2 2 315.461 2.238 10 0 DEAELP Cc1[nH+]c2ccccc2n1CC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247560868 145141408 /nfs/dbraw/zinc/14/14/08/145141408.db2.gz ZOKHPRNALUXJGG-DZGCQCFKSA-N 2 2 314.433 2.286 10 0 DEAELP Cc1[nH+]c2ccccc2n1CC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000247560868 145141409 /nfs/dbraw/zinc/14/14/09/145141409.db2.gz ZOKHPRNALUXJGG-DZGCQCFKSA-N 2 2 314.433 2.286 10 0 DEAELP C[N@@H+]1CCC[C@H]2C[NH+](Cc3nc(-c4ccoc4)no3)CC[C@H]21 ZINC000247961360 145145707 /nfs/dbraw/zinc/14/57/07/145145707.db2.gz GGOVKTKOQULNBC-GXTWGEPZSA-N 2 2 302.378 2.246 10 0 DEAELP C[N@H+]1CCC[C@H]2C[NH+](Cc3nc(-c4ccoc4)no3)CC[C@H]21 ZINC000247961360 145145709 /nfs/dbraw/zinc/14/57/09/145145709.db2.gz GGOVKTKOQULNBC-GXTWGEPZSA-N 2 2 302.378 2.246 10 0 DEAELP C[NH+]1CCC[C@H]2C[N@H+](Cc3nc(-c4ccoc4)no3)CC[C@H]21 ZINC000247961360 145145712 /nfs/dbraw/zinc/14/57/12/145145712.db2.gz GGOVKTKOQULNBC-GXTWGEPZSA-N 2 2 302.378 2.246 10 0 DEAELP C[NH+]1CCC[C@H]2C[N@@H+](Cc3nc(-c4ccoc4)no3)CC[C@H]21 ZINC000247961360 145145714 /nfs/dbraw/zinc/14/57/14/145145714.db2.gz GGOVKTKOQULNBC-GXTWGEPZSA-N 2 2 302.378 2.246 10 0 DEAELP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3nc(-c4ccco4)no3)CC[C@H]21 ZINC000247990377 145146871 /nfs/dbraw/zinc/14/68/71/145146871.db2.gz JIASVFFZWAXUIB-CHWSQXEVSA-N 2 2 302.378 2.246 10 0 DEAELP C[N@H+]1CCC[C@@H]2C[NH+](Cc3nc(-c4ccco4)no3)CC[C@H]21 ZINC000247990377 145146872 /nfs/dbraw/zinc/14/68/72/145146872.db2.gz JIASVFFZWAXUIB-CHWSQXEVSA-N 2 2 302.378 2.246 10 0 DEAELP C[NH+]1CCC[C@@H]2C[N@H+](Cc3nc(-c4ccco4)no3)CC[C@H]21 ZINC000247990377 145146873 /nfs/dbraw/zinc/14/68/73/145146873.db2.gz JIASVFFZWAXUIB-CHWSQXEVSA-N 2 2 302.378 2.246 10 0 DEAELP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3nc(-c4ccco4)no3)CC[C@H]21 ZINC000247990377 145146874 /nfs/dbraw/zinc/14/68/74/145146874.db2.gz JIASVFFZWAXUIB-CHWSQXEVSA-N 2 2 302.378 2.246 10 0 DEAELP Cc1ccccc1NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248130053 145148469 /nfs/dbraw/zinc/14/84/69/145148469.db2.gz OIILWGWQVLONAB-RDJZCZTQSA-N 2 2 301.434 2.350 10 0 DEAELP Cc1ccccc1NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248130053 145148471 /nfs/dbraw/zinc/14/84/71/145148471.db2.gz OIILWGWQVLONAB-RDJZCZTQSA-N 2 2 301.434 2.350 10 0 DEAELP Cc1ccccc1NC(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248130053 145148472 /nfs/dbraw/zinc/14/84/72/145148472.db2.gz OIILWGWQVLONAB-RDJZCZTQSA-N 2 2 301.434 2.350 10 0 DEAELP Cc1ccccc1NC(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248130053 145148475 /nfs/dbraw/zinc/14/84/75/145148475.db2.gz OIILWGWQVLONAB-RDJZCZTQSA-N 2 2 301.434 2.350 10 0 DEAELP COCc1noc([C@H](C)[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)n1 ZINC000248447305 145155674 /nfs/dbraw/zinc/15/56/74/145155674.db2.gz HEAOMILNFJBLSO-STQMWFEESA-N 2 2 317.393 2.106 10 0 DEAELP COCc1noc([C@H](C)[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)n1 ZINC000248447305 145155675 /nfs/dbraw/zinc/15/56/75/145155675.db2.gz HEAOMILNFJBLSO-STQMWFEESA-N 2 2 317.393 2.106 10 0 DEAELP C[N@H+](C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)CC1CC[NH2+]CC1 ZINC000262003817 145252283 /nfs/dbraw/zinc/25/22/83/145252283.db2.gz UKTPSFBRVAXPFY-ROUUACIJSA-N 3 2 302.466 2.006 10 0 DEAELP C[N@@H+](C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)CC1CC[NH2+]CC1 ZINC000262003817 145252284 /nfs/dbraw/zinc/25/22/84/145252284.db2.gz UKTPSFBRVAXPFY-ROUUACIJSA-N 3 2 302.466 2.006 10 0 DEAELP C[NH+](C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)CC1CC[NH2+]CC1 ZINC000262003817 145252285 /nfs/dbraw/zinc/25/22/85/145252285.db2.gz UKTPSFBRVAXPFY-ROUUACIJSA-N 3 2 302.466 2.006 10 0 DEAELP C[NH+](C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)CC1CC[NH2+]CC1 ZINC000262003817 145252286 /nfs/dbraw/zinc/25/22/86/145252286.db2.gz UKTPSFBRVAXPFY-ROUUACIJSA-N 3 2 302.466 2.006 10 0 DEAELP CC(=O)N1CC[C@H](C[N@@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000346186348 146033205 /nfs/dbraw/zinc/03/32/05/146033205.db2.gz YPMHRMVBDKSXMT-CQSZACIVSA-N 2 2 318.446 2.234 10 0 DEAELP CC(=O)N1CC[C@H](C[N@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000346186348 146033206 /nfs/dbraw/zinc/03/32/06/146033206.db2.gz YPMHRMVBDKSXMT-CQSZACIVSA-N 2 2 318.446 2.234 10 0 DEAELP Cc1ccc(C[N@@H+](C)CC(=O)NC2CC[NH+](C(C)C)CC2)o1 ZINC000114453816 401799819 /nfs/dbraw/zinc/79/98/19/401799819.db2.gz YDMIPOIUTLUVMI-UHFFFAOYSA-N 2 2 307.438 2.009 10 0 DEAELP Cc1ccc(C[N@H+](C)CC(=O)NC2CC[NH+](C(C)C)CC2)o1 ZINC000114453816 401799820 /nfs/dbraw/zinc/79/98/20/401799820.db2.gz YDMIPOIUTLUVMI-UHFFFAOYSA-N 2 2 307.438 2.009 10 0 DEAELP Cc1cc(N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)c2cccc(F)c2[nH+]1 ZINC000130260771 401825031 /nfs/dbraw/zinc/82/50/31/401825031.db2.gz WQPXTAIIOABKJS-HZPDHXFCSA-N 2 2 301.365 2.202 10 0 DEAELP Cc1cc(N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)c2cccc(F)c2[nH+]1 ZINC000130260771 401825035 /nfs/dbraw/zinc/82/50/35/401825035.db2.gz WQPXTAIIOABKJS-HZPDHXFCSA-N 2 2 301.365 2.202 10 0 DEAELP COc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)c(F)c1 ZINC000151256019 402026212 /nfs/dbraw/zinc/02/62/12/402026212.db2.gz WFFXYGMDUUHWFR-ZIAGYGMSSA-N 2 2 310.413 2.332 10 0 DEAELP C[C@H]1C[N@@H+](C2CC[NH+](CCCOCC(F)(F)F)CC2)CCO1 ZINC000097153453 402112256 /nfs/dbraw/zinc/11/22/56/402112256.db2.gz BBSYSUQPEBWIKA-ZDUSSCGKSA-N 2 2 324.387 2.141 10 0 DEAELP C[C@H]1C[N@H+](C2CC[NH+](CCCOCC(F)(F)F)CC2)CCO1 ZINC000097153453 402112259 /nfs/dbraw/zinc/11/22/59/402112259.db2.gz BBSYSUQPEBWIKA-ZDUSSCGKSA-N 2 2 324.387 2.141 10 0 DEAELP COc1ccc(NC(=O)C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000123684077 402141281 /nfs/dbraw/zinc/14/12/81/402141281.db2.gz OLERKUBGKOKTCZ-ZFWWWQNUSA-N 2 2 305.422 2.048 10 0 DEAELP COc1ccc(NC(=O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000123684077 402141283 /nfs/dbraw/zinc/14/12/83/402141283.db2.gz OLERKUBGKOKTCZ-ZFWWWQNUSA-N 2 2 305.422 2.048 10 0 DEAELP COc1ccc(NC(=O)C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000123684077 402141286 /nfs/dbraw/zinc/14/12/86/402141286.db2.gz OLERKUBGKOKTCZ-ZFWWWQNUSA-N 2 2 305.422 2.048 10 0 DEAELP COc1ccc(NC(=O)C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000123684077 402141288 /nfs/dbraw/zinc/14/12/88/402141288.db2.gz OLERKUBGKOKTCZ-ZFWWWQNUSA-N 2 2 305.422 2.048 10 0 DEAELP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000068291964 402191670 /nfs/dbraw/zinc/19/16/70/402191670.db2.gz JGSVYAUYXMDMJF-KRWDZBQOSA-N 2 2 322.412 2.237 10 0 DEAELP C[C@@H](NC(=O)[C@@H](C)[N@H+](C)CCCn1cc[nH+]c1)c1ccccc1 ZINC000124319215 402174588 /nfs/dbraw/zinc/17/45/88/402174588.db2.gz ZDMATJKRADKLBF-HZPDHXFCSA-N 2 2 314.433 2.471 10 0 DEAELP C[C@@H](NC(=O)[C@@H](C)[N@@H+](C)CCCn1cc[nH+]c1)c1ccccc1 ZINC000124319215 402174589 /nfs/dbraw/zinc/17/45/89/402174589.db2.gz ZDMATJKRADKLBF-HZPDHXFCSA-N 2 2 314.433 2.471 10 0 DEAELP C[C@@H](NC(=O)N(C)CC[NH+](C)C)c1cccc(-n2cc[nH+]c2)c1 ZINC000176425483 402307964 /nfs/dbraw/zinc/30/79/64/402307964.db2.gz JKUCKEPTHDQJEG-CQSZACIVSA-N 2 2 315.421 2.136 10 0 DEAELP Cc1[nH+]ccn1CCCC[N@@H+]1CCN(c2cccs2)C(=O)C1 ZINC000186086922 402400280 /nfs/dbraw/zinc/40/02/80/402400280.db2.gz SGIVNMFMELNNGN-UHFFFAOYSA-N 2 2 318.446 2.382 10 0 DEAELP Cc1[nH+]ccn1CCCC[N@H+]1CCN(c2cccs2)C(=O)C1 ZINC000186086922 402400283 /nfs/dbraw/zinc/40/02/83/402400283.db2.gz SGIVNMFMELNNGN-UHFFFAOYSA-N 2 2 318.446 2.382 10 0 DEAELP C[NH2+]C[C@H](C)C(=O)N1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000237301809 402403584 /nfs/dbraw/zinc/40/35/84/402403584.db2.gz AKDMQGHDJVZDRW-KBPBESRZSA-N 2 2 323.868 2.401 10 0 DEAELP C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[NH+]1CCC([NH3+])CC1 ZINC000237479118 402409482 /nfs/dbraw/zinc/40/94/82/402409482.db2.gz CZUPHQNVRFAHCT-OAHLLOKOSA-N 2 2 315.461 2.237 10 0 DEAELP O=C(c1ccc(-n2cc[nH+]c2)cc1)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186505613 402437217 /nfs/dbraw/zinc/43/72/17/402437217.db2.gz MBSCOBGKAPUYQD-OAHLLOKOSA-N 2 2 310.401 2.229 10 0 DEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@H](O)COc1ccccc1 ZINC000178312127 402483360 /nfs/dbraw/zinc/48/33/60/402483360.db2.gz PQHHMPKESOHVEG-SJORKVTESA-N 2 2 315.417 2.096 10 0 DEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@H](O)COc1ccccc1 ZINC000178312127 402483363 /nfs/dbraw/zinc/48/33/63/402483363.db2.gz PQHHMPKESOHVEG-SJORKVTESA-N 2 2 315.417 2.096 10 0 DEAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccccc2F)[C@@H](C)C1 ZINC000247338706 402564038 /nfs/dbraw/zinc/56/40/38/402564038.db2.gz ZQOZBGKVZCJNPJ-XJKSGUPXSA-N 2 2 307.413 2.426 10 0 DEAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccccc2F)[C@@H](C)C1 ZINC000247338706 402564042 /nfs/dbraw/zinc/56/40/42/402564042.db2.gz ZQOZBGKVZCJNPJ-XJKSGUPXSA-N 2 2 307.413 2.426 10 0 DEAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccccc2F)[C@@H](C)C1 ZINC000247338706 402564043 /nfs/dbraw/zinc/56/40/43/402564043.db2.gz ZQOZBGKVZCJNPJ-XJKSGUPXSA-N 2 2 307.413 2.426 10 0 DEAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccccc2F)[C@@H](C)C1 ZINC000247338706 402564046 /nfs/dbraw/zinc/56/40/46/402564046.db2.gz ZQOZBGKVZCJNPJ-XJKSGUPXSA-N 2 2 307.413 2.426 10 0 DEAELP C[C@H]([NH2+]CC(=O)NCC1CCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180662376 402622480 /nfs/dbraw/zinc/62/24/80/402622480.db2.gz FAMNNMCVIFVUOQ-AWEZNQCLSA-N 2 2 312.417 2.439 10 0 DEAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2nccc(OC)c2OC)[C@H](C)C1 ZINC000190885787 402629409 /nfs/dbraw/zinc/62/94/09/402629409.db2.gz MXRNHWMGTMXNID-HIFRSBDPSA-N 2 2 307.438 2.261 10 0 DEAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2nccc(OC)c2OC)[C@H](C)C1 ZINC000190885787 402629410 /nfs/dbraw/zinc/62/94/10/402629410.db2.gz MXRNHWMGTMXNID-HIFRSBDPSA-N 2 2 307.438 2.261 10 0 DEAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2nccc(OC)c2OC)[C@H](C)C1 ZINC000190885787 402629411 /nfs/dbraw/zinc/62/94/11/402629411.db2.gz MXRNHWMGTMXNID-HIFRSBDPSA-N 2 2 307.438 2.261 10 0 DEAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2nccc(OC)c2OC)[C@H](C)C1 ZINC000190885787 402629413 /nfs/dbraw/zinc/62/94/13/402629413.db2.gz MXRNHWMGTMXNID-HIFRSBDPSA-N 2 2 307.438 2.261 10 0 DEAELP CC[N@@H+]1CC[C@H](N(C)Cc2[nH+]ccc(OC)c2OC)[C@H](C)C1 ZINC000190885787 402629415 /nfs/dbraw/zinc/62/94/15/402629415.db2.gz MXRNHWMGTMXNID-HIFRSBDPSA-N 2 2 307.438 2.261 10 0 DEAELP CC[N@H+]1CC[C@H](N(C)Cc2[nH+]ccc(OC)c2OC)[C@H](C)C1 ZINC000190885787 402629417 /nfs/dbraw/zinc/62/94/17/402629417.db2.gz MXRNHWMGTMXNID-HIFRSBDPSA-N 2 2 307.438 2.261 10 0 DEAELP COCCN(C)c1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cn1 ZINC000191399055 402666750 /nfs/dbraw/zinc/66/67/50/402666750.db2.gz RLRRBJLQBLGETH-WBVHZDCISA-N 2 2 320.481 2.079 10 0 DEAELP COCCN(C)c1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cn1 ZINC000191399055 402666752 /nfs/dbraw/zinc/66/67/52/402666752.db2.gz RLRRBJLQBLGETH-WBVHZDCISA-N 2 2 320.481 2.079 10 0 DEAELP COCCN(C)c1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cn1 ZINC000191399055 402666754 /nfs/dbraw/zinc/66/67/54/402666754.db2.gz RLRRBJLQBLGETH-WBVHZDCISA-N 2 2 320.481 2.079 10 0 DEAELP COCCN(C)c1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cn1 ZINC000191399055 402666756 /nfs/dbraw/zinc/66/67/56/402666756.db2.gz RLRRBJLQBLGETH-WBVHZDCISA-N 2 2 320.481 2.079 10 0 DEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cn(C(C)(C)C)nn1 ZINC000191425985 402668474 /nfs/dbraw/zinc/66/84/74/402668474.db2.gz FCVPKWDXQHQMCI-OAHLLOKOSA-N 2 2 302.426 2.203 10 0 DEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cn(C(C)(C)C)nn1 ZINC000191425985 402668477 /nfs/dbraw/zinc/66/84/77/402668477.db2.gz FCVPKWDXQHQMCI-OAHLLOKOSA-N 2 2 302.426 2.203 10 0 DEAELP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193634629 402774072 /nfs/dbraw/zinc/77/40/72/402774072.db2.gz ORBFJJFBCXXXBN-LUKYLMHMSA-N 2 2 315.461 2.054 10 0 DEAELP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193634629 402774075 /nfs/dbraw/zinc/77/40/75/402774075.db2.gz ORBFJJFBCXXXBN-LUKYLMHMSA-N 2 2 315.461 2.054 10 0 DEAELP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193634629 402774078 /nfs/dbraw/zinc/77/40/78/402774078.db2.gz ORBFJJFBCXXXBN-LUKYLMHMSA-N 2 2 315.461 2.054 10 0 DEAELP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193634629 402774079 /nfs/dbraw/zinc/77/40/79/402774079.db2.gz ORBFJJFBCXXXBN-LUKYLMHMSA-N 2 2 315.461 2.054 10 0 DEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000175477794 402810326 /nfs/dbraw/zinc/81/03/26/402810326.db2.gz KTJSRKMMRZWZNK-GJZGRUSLSA-N 2 2 321.469 2.163 10 0 DEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000175477794 402810330 /nfs/dbraw/zinc/81/03/30/402810330.db2.gz KTJSRKMMRZWZNK-GJZGRUSLSA-N 2 2 321.469 2.163 10 0 DEAELP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCCCNc1cccc[nH+]1 ZINC000194065136 402783295 /nfs/dbraw/zinc/78/32/95/402783295.db2.gz JXJJVLVJDYLMTQ-HNNXBMFYSA-N 2 2 321.469 2.159 10 0 DEAELP CCCc1noc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)n1 ZINC000195515927 402848976 /nfs/dbraw/zinc/84/89/76/402848976.db2.gz BBHKZAYHLMFJOG-ZDUSSCGKSA-N 2 2 301.394 2.351 10 0 DEAELP CCCc1noc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)n1 ZINC000195515927 402848977 /nfs/dbraw/zinc/84/89/77/402848977.db2.gz BBHKZAYHLMFJOG-ZDUSSCGKSA-N 2 2 301.394 2.351 10 0 DEAELP Cc1n[nH]c(C)c1C[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000275887427 403130623 /nfs/dbraw/zinc/13/06/23/403130623.db2.gz ZFTPDWYAJWAGLH-QGZVFWFLSA-N 2 2 313.449 2.375 10 0 DEAELP Cc1n[nH]c(C)c1C[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000275887427 403130625 /nfs/dbraw/zinc/13/06/25/403130625.db2.gz ZFTPDWYAJWAGLH-QGZVFWFLSA-N 2 2 313.449 2.375 10 0 DEAELP Cc1n[nH]c(C)c1C[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000275887427 403130628 /nfs/dbraw/zinc/13/06/28/403130628.db2.gz ZFTPDWYAJWAGLH-QGZVFWFLSA-N 2 2 313.449 2.375 10 0 DEAELP Cc1n[nH]c(C)c1C[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000275887427 403130631 /nfs/dbraw/zinc/13/06/31/403130631.db2.gz ZFTPDWYAJWAGLH-QGZVFWFLSA-N 2 2 313.449 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403609456 /nfs/dbraw/zinc/60/94/56/403609456.db2.gz YUEHQACCCJODGN-HOTGVXAUSA-N 2 2 315.465 2.387 10 0 DEAELP COC(=O)[C@H](C1CC1)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434688314 404923792 /nfs/dbraw/zinc/92/37/92/404923792.db2.gz KWEHZYGVWVWXRI-INIZCTEOSA-N 2 2 317.433 2.350 10 0 DEAELP C(C[NH2+]CC1(C[NH+]2CCOCC2)CCCCC1)C[C@@H]1CCO1 ZINC000638733724 405639678 /nfs/dbraw/zinc/63/96/78/405639678.db2.gz CYYYCBXAHDQCPH-QGZVFWFLSA-N 2 2 310.482 2.428 10 0 DEAELP CCn1nncc1C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000459364883 405874124 /nfs/dbraw/zinc/87/41/24/405874124.db2.gz SVPAMRFMRSXFOU-QGZVFWFLSA-N 2 2 313.449 2.252 10 0 DEAELP CCn1nncc1C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000459364883 405874133 /nfs/dbraw/zinc/87/41/33/405874133.db2.gz SVPAMRFMRSXFOU-QGZVFWFLSA-N 2 2 313.449 2.252 10 0 DEAELP CCn1nncc1C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000459364883 405874143 /nfs/dbraw/zinc/87/41/43/405874143.db2.gz SVPAMRFMRSXFOU-QGZVFWFLSA-N 2 2 313.449 2.252 10 0 DEAELP CCn1nncc1C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000459364883 405874151 /nfs/dbraw/zinc/87/41/51/405874151.db2.gz SVPAMRFMRSXFOU-QGZVFWFLSA-N 2 2 313.449 2.252 10 0 DEAELP CC1=CC[N@H+](CC[NH2+][C@H](C)CC(=O)N2CCCCCC2)CC1 ZINC000547279738 406395084 /nfs/dbraw/zinc/39/50/84/406395084.db2.gz XDTAQTYEZBZIMQ-QGZVFWFLSA-N 2 2 307.482 2.409 10 0 DEAELP CC1=CC[N@@H+](CC[NH2+][C@H](C)CC(=O)N2CCCCCC2)CC1 ZINC000547279738 406395089 /nfs/dbraw/zinc/39/50/89/406395089.db2.gz XDTAQTYEZBZIMQ-QGZVFWFLSA-N 2 2 307.482 2.409 10 0 DEAELP CC(C)C[NH2+]C[C@@H](C)[C@@H](C)[NH+]1CCN(CC(F)(F)F)CC1 ZINC000128963689 196008537 /nfs/dbraw/zinc/00/85/37/196008537.db2.gz GQYWKYCLNSKRPS-ZIAGYGMSSA-N 2 2 309.420 2.437 10 0 DEAELP CC(C)C[NH2+]C[C@H](C)[C@H](C)[NH+]1CCN(CC(F)(F)F)CC1 ZINC000128964328 196008575 /nfs/dbraw/zinc/00/85/75/196008575.db2.gz GQYWKYCLNSKRPS-KBPBESRZSA-N 2 2 309.420 2.437 10 0 DEAELP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000131443318 196169684 /nfs/dbraw/zinc/16/96/84/196169684.db2.gz IASPXBSGIBXNBD-AWEZNQCLSA-N 2 2 320.355 2.030 10 0 DEAELP CCNc1nc(NC[C@H](C)[NH+](C)C)c(Br)c[nH+]1 ZINC000132224120 196237026 /nfs/dbraw/zinc/23/70/26/196237026.db2.gz FWXLRQASKICHNO-QMMMGPOBSA-N 2 2 302.220 2.033 10 0 DEAELP CNc1nc(NCCCC[NH+](C)C)c(Br)c[nH+]1 ZINC000132306970 196244723 /nfs/dbraw/zinc/24/47/23/196244723.db2.gz UNNQOEIBORBVOL-UHFFFAOYSA-N 2 2 302.220 2.035 10 0 DEAELP c1[nH+]cn2cc(C[NH2+]C3CCN(c4cccc[nH+]4)CC3)ccc12 ZINC000297387646 227101873 /nfs/dbraw/zinc/10/18/73/227101873.db2.gz BCUIWPJKYCCJJL-UHFFFAOYSA-N 3 2 307.401 2.488 10 0 DEAELP CC(=O)c1ccccc1OCC[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000516867680 424821038 /nfs/dbraw/zinc/82/10/38/424821038.db2.gz LEHINWBFIYSEIQ-SFHVURJKSA-N 2 2 302.418 2.344 10 0 DEAELP CC(=O)c1ccccc1OCC[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000516867680 424821040 /nfs/dbraw/zinc/82/10/40/424821040.db2.gz LEHINWBFIYSEIQ-SFHVURJKSA-N 2 2 302.418 2.344 10 0 DEAELP CC(C)(C)OC(=O)NCC[NH+]1CCC(c2ccc(N)[nH+]c2)CC1 ZINC000616620016 425097787 /nfs/dbraw/zinc/09/77/87/425097787.db2.gz UEFRDXGIZTZVNE-UHFFFAOYSA-N 2 2 320.437 2.368 10 0 DEAELP COC[C@@H](CCC[NH3+])[NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000397940660 269107461 /nfs/dbraw/zinc/10/74/61/269107461.db2.gz ZOGSTZICUPKEQX-MOPGFXCFSA-N 3 2 319.493 2.385 10 0 DEAELP COC[C@@H](CCC[NH3+])[NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000397940660 269107462 /nfs/dbraw/zinc/10/74/62/269107462.db2.gz ZOGSTZICUPKEQX-MOPGFXCFSA-N 3 2 319.493 2.385 10 0 DEAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H](C)C2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000495606441 269159751 /nfs/dbraw/zinc/15/97/51/269159751.db2.gz YBHFMNLPFLYBHG-HIFRSBDPSA-N 2 2 311.470 2.316 10 0 DEAELP CC[N@H+]1CCC[C@H]([NH2+][C@H](C)C2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000495606441 269159752 /nfs/dbraw/zinc/15/97/52/269159752.db2.gz YBHFMNLPFLYBHG-HIFRSBDPSA-N 2 2 311.470 2.316 10 0 DEAELP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)c1 ZINC000262950879 276110481 /nfs/dbraw/zinc/11/04/81/276110481.db2.gz JPWWXSHAQGFHFG-AWEZNQCLSA-N 2 2 311.376 2.464 10 0 DEAELP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1ccc2c(c1)sc(=O)n2C ZINC000262012366 278317512 /nfs/dbraw/zinc/31/75/12/278317512.db2.gz MJRWKRYCOGVLCE-DGCLKSJQSA-N 2 2 305.447 2.302 10 0 DEAELP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1ccc2c(c1)sc(=O)n2C ZINC000262012366 278317514 /nfs/dbraw/zinc/31/75/14/278317514.db2.gz MJRWKRYCOGVLCE-DGCLKSJQSA-N 2 2 305.447 2.302 10 0 DEAELP Cc1[nH]nc2ncc(C[N@H+](CC[NH3+])CCc3ccccc3)cc12 ZINC000262144299 279059823 /nfs/dbraw/zinc/05/98/23/279059823.db2.gz ZJJFJZOKXPWAFK-UHFFFAOYSA-N 2 2 309.417 2.270 10 0 DEAELP Cc1[nH]nc2ncc(C[N@@H+](CC[NH3+])CCc3ccccc3)cc12 ZINC000262144299 279059826 /nfs/dbraw/zinc/05/98/26/279059826.db2.gz ZJJFJZOKXPWAFK-UHFFFAOYSA-N 2 2 309.417 2.270 10 0 DEAELP C[C@@H]1CCCN(c2cc(NC[C@H]3CCC[N@@H+](C)C3)nc[nH+]2)C1 ZINC000302004846 533703257 /nfs/dbraw/zinc/70/32/57/533703257.db2.gz ZNSPPTLSUMRVSV-HUUCEWRRSA-N 2 2 303.454 2.467 10 0 DEAELP C[C@@H]1CCCN(c2cc(NC[C@H]3CCC[N@H+](C)C3)nc[nH+]2)C1 ZINC000302004846 533703250 /nfs/dbraw/zinc/70/32/50/533703250.db2.gz ZNSPPTLSUMRVSV-HUUCEWRRSA-N 2 2 303.454 2.467 10 0 DEAELP C[C@@H]1CCCN(c2cc(NC[C@H]3CCC[N@H+](C)C3)[nH+]cn2)C1 ZINC000302004846 533703264 /nfs/dbraw/zinc/70/32/64/533703264.db2.gz ZNSPPTLSUMRVSV-HUUCEWRRSA-N 2 2 303.454 2.467 10 0 DEAELP C[C@@H]1CCCN(c2cc(NC[C@H]3CCC[N@@H+](C)C3)[nH+]cn2)C1 ZINC000302004846 533703270 /nfs/dbraw/zinc/70/32/70/533703270.db2.gz ZNSPPTLSUMRVSV-HUUCEWRRSA-N 2 2 303.454 2.467 10 0 DEAELP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@@H]3CC[C@@H]([NH3+])C3)n2)C1 ZINC000246213927 524237663 /nfs/dbraw/zinc/23/76/63/524237663.db2.gz GAENEIVDHMLEKG-JHJVBQTASA-N 2 2 322.478 2.441 10 0 DEAELP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@@H]3CC[C@@H]([NH3+])C3)n2)C1 ZINC000246213927 524237667 /nfs/dbraw/zinc/23/76/67/524237667.db2.gz GAENEIVDHMLEKG-JHJVBQTASA-N 2 2 322.478 2.441 10 0 DEAELP CC(C)(C)c1nnc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)s1 ZINC000261978223 534926551 /nfs/dbraw/zinc/92/65/51/534926551.db2.gz RIXIQTGFXKHCCW-YNEHKIRRSA-N 2 2 324.494 2.082 10 0 DEAELP CC1(C)CN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC[C@H]1[NH3+] ZINC000261996137 535348095 /nfs/dbraw/zinc/34/80/95/535348095.db2.gz NCMYEHUGFWPVJH-MRXNPFEDSA-N 2 2 312.417 2.131 10 0 DEAELP C[C@@H]1CCCN(C(=O)/C=C\c2ccc(-n3cc[nH+]c3)cc2)[C@@H]1C[NH3+] ZINC000255128194 623556058 /nfs/dbraw/zinc/55/60/58/623556058.db2.gz DBTAKGQLCQBMBU-YANQBMCKSA-N 2 2 324.428 2.471 10 0 DEAELP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC000702119778 1086405334 /nfs/dbraw/zinc/40/53/34/1086405334.db2.gz HQNCYHPJDFJGHA-BTHPGYMESA-N 3 2 313.489 2.296 10 0 DEAELP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC000702119778 1086405337 /nfs/dbraw/zinc/40/53/37/1086405337.db2.gz HQNCYHPJDFJGHA-BTHPGYMESA-N 3 2 313.489 2.296 10 0 DEAELP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000702119778 1086405341 /nfs/dbraw/zinc/40/53/41/1086405341.db2.gz HQNCYHPJDFJGHA-BTHPGYMESA-N 3 2 313.489 2.296 10 0 DEAELP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000702119778 1086405345 /nfs/dbraw/zinc/40/53/45/1086405345.db2.gz HQNCYHPJDFJGHA-BTHPGYMESA-N 3 2 313.489 2.296 10 0 DEAELP Cc1nn(C)c(C[N@@H+](C)CCCCCC[NH3+])c1Br ZINC000710805832 1086689348 /nfs/dbraw/zinc/68/93/48/1086689348.db2.gz VHWQWUQPYGUFBE-UHFFFAOYSA-N 2 2 317.275 2.442 10 0 DEAELP Cc1nn(C)c(C[N@H+](C)CCCCCC[NH3+])c1Br ZINC000710805832 1086689336 /nfs/dbraw/zinc/68/93/36/1086689336.db2.gz VHWQWUQPYGUFBE-UHFFFAOYSA-N 2 2 317.275 2.442 10 0 DEAELP CC(C)(C)OC(=O)N1CC(C[NH2+]CCCCn2cc[nH+]c2)C1 ZINC000710934094 1086691620 /nfs/dbraw/zinc/69/16/20/1086691620.db2.gz AEGCOFVSBAMNEQ-UHFFFAOYSA-N 2 2 308.426 2.120 10 0 DEAELP COC(C[C@](C)(C[NH3+])[N@H+](C)Cc1cccc(Cl)c1)OC ZINC000090265793 185288311 /nfs/dbraw/zinc/28/83/11/185288311.db2.gz VNOVRPRXTXEAGI-OAHLLOKOSA-N 2 2 300.830 2.498 10 0 DEAELP COC(C[C@](C)(C[NH3+])[N@@H+](C)Cc1cccc(Cl)c1)OC ZINC000090265793 185288312 /nfs/dbraw/zinc/28/83/12/185288312.db2.gz VNOVRPRXTXEAGI-OAHLLOKOSA-N 2 2 300.830 2.498 10 0 DEAELP CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2C[N@@H+]1Cc1cc2c(c(Cl)c1)OCO2 ZINC000090332873 185291463 /nfs/dbraw/zinc/29/14/63/185291463.db2.gz PALSXZFNYQQBFK-YRGRVCCFSA-N 2 2 308.809 2.499 10 0 DEAELP CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2C[N@H+]1Cc1cc2c(c(Cl)c1)OCO2 ZINC000090332873 185291464 /nfs/dbraw/zinc/29/14/64/185291464.db2.gz PALSXZFNYQQBFK-YRGRVCCFSA-N 2 2 308.809 2.499 10 0 DEAELP C[NH2+]C[C@@H](C)C(=O)N1CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC000237174564 290671939 /nfs/dbraw/zinc/67/19/39/290671939.db2.gz AKDMQGHDJVZDRW-ZIAGYGMSSA-N 2 2 323.868 2.401 10 0 DEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@H]2CCCC[C@H]2C)[C@H](C)C1 ZINC000245414252 282386212 /nfs/dbraw/zinc/38/62/12/282386212.db2.gz CCVCVURDHCBAGA-VQHPVUNQSA-N 2 2 309.498 2.343 10 0 DEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@H]2CCCC[C@H]2C)[C@H](C)C1 ZINC000245414252 282386213 /nfs/dbraw/zinc/38/62/13/282386213.db2.gz CCVCVURDHCBAGA-VQHPVUNQSA-N 2 2 309.498 2.343 10 0 DEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@@H]2CCCC[C@H]2C)[C@H](C)C1 ZINC000245414252 282386214 /nfs/dbraw/zinc/38/62/14/282386214.db2.gz CCVCVURDHCBAGA-VQHPVUNQSA-N 2 2 309.498 2.343 10 0 DEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@@H]2CCCC[C@H]2C)[C@H](C)C1 ZINC000245414252 282386215 /nfs/dbraw/zinc/38/62/15/282386215.db2.gz CCVCVURDHCBAGA-VQHPVUNQSA-N 2 2 309.498 2.343 10 0 DEAELP CC[C@@H]1CCCCN1C(=O)C[N@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000245432948 282388007 /nfs/dbraw/zinc/38/80/07/282388007.db2.gz OYTUKAFCULEKTI-BRWVUGGUSA-N 2 2 309.498 2.440 10 0 DEAELP CC[C@@H]1CCCCN1C(=O)C[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000245432948 282388010 /nfs/dbraw/zinc/38/80/10/282388010.db2.gz OYTUKAFCULEKTI-BRWVUGGUSA-N 2 2 309.498 2.440 10 0 DEAELP CC[C@@H]1CCCCN1C(=O)C[NH+](C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000245432948 282388011 /nfs/dbraw/zinc/38/80/11/282388011.db2.gz OYTUKAFCULEKTI-BRWVUGGUSA-N 2 2 309.498 2.440 10 0 DEAELP CC[C@@H]1CCCCN1C(=O)C[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000245432948 282388012 /nfs/dbraw/zinc/38/80/12/282388012.db2.gz OYTUKAFCULEKTI-BRWVUGGUSA-N 2 2 309.498 2.440 10 0 DEAELP COc1ccc(F)c2c1CN(CCCCn1cc[nH+]c1)[C@H]2C[NH3+] ZINC000071683523 191006469 /nfs/dbraw/zinc/00/64/69/191006469.db2.gz FVWGOHCTCBHZAK-HNNXBMFYSA-N 2 2 318.396 2.327 10 0 DEAELP CC[C@@H]([NH3+])[C@H](c1cccc(Cl)c1)[N@H+](CCO)CCOC ZINC000164223154 186152527 /nfs/dbraw/zinc/15/25/27/186152527.db2.gz OTFKTWJKSOCZBE-CABCVRRESA-N 2 2 300.830 2.059 10 0 DEAELP CC[C@@H]([NH3+])[C@H](c1cccc(Cl)c1)[N@@H+](CCO)CCOC ZINC000164223154 186152529 /nfs/dbraw/zinc/15/25/29/186152529.db2.gz OTFKTWJKSOCZBE-CABCVRRESA-N 2 2 300.830 2.059 10 0 DEAELP COCc1noc([C@@H](C)[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)n1 ZINC000181900885 186216677 /nfs/dbraw/zinc/21/66/77/186216677.db2.gz HEAOMILNFJBLSO-CHWSQXEVSA-N 2 2 317.393 2.106 10 0 DEAELP COCc1noc([C@@H](C)[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)n1 ZINC000181900885 186216679 /nfs/dbraw/zinc/21/66/79/186216679.db2.gz HEAOMILNFJBLSO-CHWSQXEVSA-N 2 2 317.393 2.106 10 0 DEAELP CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2cn3ccccc3[nH+]2)[C@H](C)C1 ZINC000172610229 198124126 /nfs/dbraw/zinc/12/41/26/198124126.db2.gz WCTPITGFTLYECZ-ZBFHGGJFSA-N 2 2 314.433 2.066 10 0 DEAELP CC[N@H+]1CC[C@H](N(C)C(=O)Cc2cn3ccccc3[nH+]2)[C@H](C)C1 ZINC000172610229 198124129 /nfs/dbraw/zinc/12/41/29/198124129.db2.gz WCTPITGFTLYECZ-ZBFHGGJFSA-N 2 2 314.433 2.066 10 0 DEAELP C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)[C@H]1c1ccccc1 ZINC000247914438 356320927 /nfs/dbraw/zinc/32/09/27/356320927.db2.gz AUVAELWREBMFRB-XYJFISCASA-N 2 2 324.428 2.007 10 0 DEAELP C[N@H+]1CC[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)[C@H]1c1ccccc1 ZINC000247914438 356320932 /nfs/dbraw/zinc/32/09/32/356320932.db2.gz AUVAELWREBMFRB-XYJFISCASA-N 2 2 324.428 2.007 10 0 DEAELP Cc1ccc(N2CCC[N@H+](Cc3cccc4[nH+]ccn43)CC2)nn1 ZINC000180078338 199114973 /nfs/dbraw/zinc/11/49/73/199114973.db2.gz PGHOUZWMXCBXBH-UHFFFAOYSA-N 2 2 322.416 2.145 10 0 DEAELP Cc1ccc(N2CCC[N@@H+](Cc3cccc4[nH+]ccn43)CC2)nn1 ZINC000180078338 199114975 /nfs/dbraw/zinc/11/49/75/199114975.db2.gz PGHOUZWMXCBXBH-UHFFFAOYSA-N 2 2 322.416 2.145 10 0 DEAELP CC(C)NC(=O)CC[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180653124 199191693 /nfs/dbraw/zinc/19/16/93/199191693.db2.gz DCWHNDVDRGAMLP-AWEZNQCLSA-N 2 2 300.406 2.438 10 0 DEAELP CCO[C@H]1C[C@@H]([NH2+]CCCNc2cccc[nH+]2)C12CCOCC2 ZINC000186376421 199950885 /nfs/dbraw/zinc/95/08/85/199950885.db2.gz DRLPCNUVQIVOQB-CVEARBPZSA-N 2 2 319.449 2.447 10 0 DEAELP Cc1c[nH+]ccc1CC[NH2+]C[C@@H]1CCO[C@H]1c1nccn1C ZINC000667913293 540548939 /nfs/dbraw/zinc/54/89/39/540548939.db2.gz FDJYFSWKKURHQX-JKSUJKDBSA-N 2 2 300.406 2.033 10 0 DEAELP O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)C1CC[NH2+]CC1 ZINC000237704715 202333139 /nfs/dbraw/zinc/33/31/39/202333139.db2.gz MZMLHMVESULXIF-UHFFFAOYSA-N 2 2 304.781 2.464 10 0 DEAELP CCC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000606582234 361022529 /nfs/dbraw/zinc/02/25/29/361022529.db2.gz HVDLMMIPAGYXQE-ZDUSSCGKSA-N 2 2 301.394 2.188 10 0 DEAELP CCC[N@H+]1CC[C@@H](CNC(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000606582234 361022534 /nfs/dbraw/zinc/02/25/34/361022534.db2.gz HVDLMMIPAGYXQE-ZDUSSCGKSA-N 2 2 301.394 2.188 10 0 DEAELP c1cc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)n(CCc2ccccc2)n1 ZINC000621355842 364367030 /nfs/dbraw/zinc/36/70/30/364367030.db2.gz YZOLCHLHJRRKTD-MRXNPFEDSA-N 2 2 321.428 2.496 10 0 DEAELP c1cc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)n(CCc2ccccc2)n1 ZINC000621355842 364367037 /nfs/dbraw/zinc/36/70/37/364367037.db2.gz YZOLCHLHJRRKTD-MRXNPFEDSA-N 2 2 321.428 2.496 10 0 DEAELP Cn1c[nH+]cc1[C@@H]1C[C@@H]([NH2+]Cc2cccc3c2OCO3)CCO1 ZINC000275399907 212310702 /nfs/dbraw/zinc/31/07/02/212310702.db2.gz CLEHTMPPIBJAKN-BBRMVZONSA-N 2 2 315.373 2.159 10 0 DEAELP C[N@H+](CC1CC(O)C1)[C@H](C[NH3+])c1ccc(Br)s1 ZINC000091451485 193058624 /nfs/dbraw/zinc/05/86/24/193058624.db2.gz QHVNYXLZBUIKCH-UDNWOFFPSA-N 2 2 319.268 2.213 10 0 DEAELP C[N@@H+](CC1CC(O)C1)[C@H](C[NH3+])c1ccc(Br)s1 ZINC000091451485 193058626 /nfs/dbraw/zinc/05/86/26/193058626.db2.gz QHVNYXLZBUIKCH-UDNWOFFPSA-N 2 2 319.268 2.213 10 0 DEAELP CC[NH2+][C@H](CCCS(=O)(=O)CC)C1([NH+](C)C)CCCC1 ZINC000091637904 193083231 /nfs/dbraw/zinc/08/32/31/193083231.db2.gz CHBMFYAHKLCTEG-CQSZACIVSA-N 2 2 304.500 2.054 10 0 DEAELP Clc1ccccc1[C@@H](CNC1=[NH+]CCCN1)[NH+]1CCCC1 ZINC000624514541 365453748 /nfs/dbraw/zinc/45/37/48/365453748.db2.gz IGSBKIGNQSKQIN-OAHLLOKOSA-N 2 2 306.841 2.416 10 0 DEAELP c1c(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)nnn1CC1CC1 ZINC000450605021 242007434 /nfs/dbraw/zinc/00/74/34/242007434.db2.gz YDAHVZBHLBPXMF-YJBOKZPZSA-N 2 2 315.465 2.137 10 0 DEAELP c1c(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)nnn1CC1CC1 ZINC000450605021 242007444 /nfs/dbraw/zinc/00/74/44/242007444.db2.gz YDAHVZBHLBPXMF-YJBOKZPZSA-N 2 2 315.465 2.137 10 0 DEAELP c1c(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nnn1CC1CC1 ZINC000450605021 242007453 /nfs/dbraw/zinc/00/74/53/242007453.db2.gz YDAHVZBHLBPXMF-YJBOKZPZSA-N 2 2 315.465 2.137 10 0 DEAELP c1c(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)nnn1CC1CC1 ZINC000450605021 242007462 /nfs/dbraw/zinc/00/74/62/242007462.db2.gz YDAHVZBHLBPXMF-YJBOKZPZSA-N 2 2 315.465 2.137 10 0 DEAELP CCC[NH2+][C@H](Cc1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCN1C ZINC000093895946 193325191 /nfs/dbraw/zinc/32/51/91/193325191.db2.gz OCHSIGYCSFPDIM-IAGOWNOFSA-N 2 2 309.885 2.497 10 0 DEAELP CCC[NH2+][C@H](Cc1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCN1C ZINC000093895946 193325193 /nfs/dbraw/zinc/32/51/93/193325193.db2.gz OCHSIGYCSFPDIM-IAGOWNOFSA-N 2 2 309.885 2.497 10 0 DEAELP C[NH2+][C@@H]1[C@@H](C[NH+]2CCN(c3nccs3)CC2)CCC1(C)C ZINC000094315991 193359367 /nfs/dbraw/zinc/35/93/67/193359367.db2.gz SKPZDFSHAIAGIO-ZIAGYGMSSA-N 2 2 308.495 2.289 10 0 DEAELP CCC[NH2+][C@H]1CCCc2sc([C@@H]3C[NH+]4CCN3CC4)nc21 ZINC000094511097 193375901 /nfs/dbraw/zinc/37/59/01/193375901.db2.gz CJNANCRKOWUXQC-STQMWFEESA-N 2 2 306.479 2.192 10 0 DEAELP [NH3+]CCC[NH+]1CCN(Cc2c(Cl)cccc2Cl)CC1 ZINC000019688197 182136301 /nfs/dbraw/zinc/13/63/01/182136301.db2.gz QDHAIMIMERVXTM-UHFFFAOYSA-N 2 2 302.249 2.460 10 0 DEAELP C[N@H+](Cc1csc(Br)c1)[C@@H](C[NH3+])[C@@H]1CCOC1 ZINC000042361004 183258439 /nfs/dbraw/zinc/25/84/39/183258439.db2.gz HCGRSBDSUHWBMS-MNOVXSKESA-N 2 2 319.268 2.306 10 0 DEAELP C[N@@H+](Cc1csc(Br)c1)[C@@H](C[NH3+])[C@@H]1CCOC1 ZINC000042361004 183258440 /nfs/dbraw/zinc/25/84/40/183258440.db2.gz HCGRSBDSUHWBMS-MNOVXSKESA-N 2 2 319.268 2.306 10 0 DEAELP CC[N@H+](CCO)[C@@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043021018 183329410 /nfs/dbraw/zinc/32/94/10/183329410.db2.gz BUJXFOHGFYUNAE-ZWNOBZJWSA-N 2 2 301.228 2.152 10 0 DEAELP CC[N@@H+](CCO)[C@@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043021018 183329412 /nfs/dbraw/zinc/32/94/12/183329412.db2.gz BUJXFOHGFYUNAE-ZWNOBZJWSA-N 2 2 301.228 2.152 10 0 DEAELP CC[C@@H]([NH3+])[C@H](c1ccc(C)s1)[NH+](CCOC)CCOC ZINC000043240879 183345615 /nfs/dbraw/zinc/34/56/15/183345615.db2.gz GFXBZLYMIVUFCV-UKRRQHHQSA-N 2 2 300.468 2.430 10 0 DEAELP CC(C)c1nnc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)n1C ZINC000105876788 194154467 /nfs/dbraw/zinc/15/44/67/194154467.db2.gz DFSCOIUIIHGWRL-UHFFFAOYSA-N 2 2 316.453 2.127 10 0 DEAELP CC(C)c1nc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)no1 ZINC000105876727 194154879 /nfs/dbraw/zinc/15/48/79/194154879.db2.gz MHNWQFJUZNJHRV-UHFFFAOYSA-N 2 2 303.410 2.381 10 0 DEAELP C[C@@]1(C(=O)Nc2cccc(Cl)c2-n2cc[nH+]c2)CC[NH2+]C1 ZINC000062891773 184258560 /nfs/dbraw/zinc/25/85/60/184258560.db2.gz YPLCGLHODRDQHT-OAHLLOKOSA-N 2 2 304.781 2.464 10 0 DEAELP CN1CCC[C@H]([N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1=O ZINC000538712661 285052109 /nfs/dbraw/zinc/05/21/09/285052109.db2.gz KQAYYIBTWLQRNY-IRXDYDNUSA-N 2 2 307.482 2.195 10 0 DEAELP CN1CCC[C@H]([N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1=O ZINC000538712661 285052110 /nfs/dbraw/zinc/05/21/10/285052110.db2.gz KQAYYIBTWLQRNY-IRXDYDNUSA-N 2 2 307.482 2.195 10 0 DEAELP Cc1cccc(NC(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000158494242 197278739 /nfs/dbraw/zinc/27/87/39/197278739.db2.gz LUMXEHYMHHMIAJ-NVXWUHKLSA-N 2 2 301.434 2.350 10 0 DEAELP Cc1cccc(NC(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000158494242 197278741 /nfs/dbraw/zinc/27/87/41/197278741.db2.gz LUMXEHYMHHMIAJ-NVXWUHKLSA-N 2 2 301.434 2.350 10 0 DEAELP Cc1cccc(NC(=O)C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000158494242 197278743 /nfs/dbraw/zinc/27/87/43/197278743.db2.gz LUMXEHYMHHMIAJ-NVXWUHKLSA-N 2 2 301.434 2.350 10 0 DEAELP Cc1cccc(NC(=O)C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000158494242 197278745 /nfs/dbraw/zinc/27/87/45/197278745.db2.gz LUMXEHYMHHMIAJ-NVXWUHKLSA-N 2 2 301.434 2.350 10 0 DEAELP c1cncc(C[N@H+]2C[C@@H]3OC[C@@H](COc4cc[nH+]cc4)[C@@H]3C2)c1 ZINC000253602557 257105587 /nfs/dbraw/zinc/10/55/87/257105587.db2.gz PRHJQSFYDUXFTH-NJAFHUGGSA-N 2 2 311.385 2.002 10 0 DEAELP c1cncc(C[N@@H+]2C[C@@H]3OC[C@@H](COc4cc[nH+]cc4)[C@@H]3C2)c1 ZINC000253602557 257105588 /nfs/dbraw/zinc/10/55/88/257105588.db2.gz PRHJQSFYDUXFTH-NJAFHUGGSA-N 2 2 311.385 2.002 10 0 DEAELP Fc1cccc(C[NH+]2C[C@@H]3C[NH+](C4CCOCC4)C[C@H]3C2)c1 ZINC000503716982 257210083 /nfs/dbraw/zinc/21/00/83/257210083.db2.gz OHBAZHFPOZUHPA-HZPDHXFCSA-N 2 2 304.409 2.368 10 0 DEAELP Cc1cc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)on1 ZINC000368609415 133280859 /nfs/dbraw/zinc/28/08/59/133280859.db2.gz YDFAZZPXFVMONH-RDTXWAMCSA-N 2 2 314.433 2.421 10 0 DEAELP Cc1cc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)on1 ZINC000368609415 133280860 /nfs/dbraw/zinc/28/08/60/133280860.db2.gz YDFAZZPXFVMONH-RDTXWAMCSA-N 2 2 314.433 2.421 10 0 DEAELP C[C@@H]1CCC[C@](C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)([NH+](C)C)C1 ZINC000262036108 296493746 /nfs/dbraw/zinc/49/37/46/296493746.db2.gz XZIYLHPUWQFALW-NNIGNNQHSA-N 3 2 323.525 2.244 10 0 DEAELP c1ncn(-c2ccc(C[NH+]3CCC(c4c[nH]c[nH+]4)CC3)cc2)n1 ZINC000377231037 133323470 /nfs/dbraw/zinc/32/34/70/133323470.db2.gz HWYAJGVXFFJUEW-UHFFFAOYSA-N 2 2 308.389 2.370 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCC1=CC[N@H+](C)CC1)C2 ZINC000372466571 133354832 /nfs/dbraw/zinc/35/48/32/133354832.db2.gz PZXUTXJCFSSZCA-AWEZNQCLSA-N 2 2 316.449 2.016 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCC1=CC[N@@H+](C)CC1)C2 ZINC000372466571 133354833 /nfs/dbraw/zinc/35/48/33/133354833.db2.gz PZXUTXJCFSSZCA-AWEZNQCLSA-N 2 2 316.449 2.016 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCC1=CC[N@H+](C)CC1)CC2 ZINC000372466571 133354834 /nfs/dbraw/zinc/35/48/34/133354834.db2.gz PZXUTXJCFSSZCA-AWEZNQCLSA-N 2 2 316.449 2.016 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCC1=CC[N@@H+](C)CC1)CC2 ZINC000372466571 133354835 /nfs/dbraw/zinc/35/48/35/133354835.db2.gz PZXUTXJCFSSZCA-AWEZNQCLSA-N 2 2 316.449 2.016 10 0 DEAELP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](O)COc1ccc(C)cc1 ZINC000246585029 145107615 /nfs/dbraw/zinc/10/76/15/145107615.db2.gz WLMOZIJZODWMBC-FGTMMUONSA-N 2 2 318.461 2.293 10 0 DEAELP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](O)COc1ccc(C)cc1 ZINC000246585029 145107617 /nfs/dbraw/zinc/10/76/17/145107617.db2.gz WLMOZIJZODWMBC-FGTMMUONSA-N 2 2 318.461 2.293 10 0 DEAELP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)COc1ccc(C)cc1 ZINC000246585029 145107619 /nfs/dbraw/zinc/10/76/19/145107619.db2.gz WLMOZIJZODWMBC-FGTMMUONSA-N 2 2 318.461 2.293 10 0 DEAELP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](O)COc1ccc(C)cc1 ZINC000246585029 145107621 /nfs/dbraw/zinc/10/76/21/145107621.db2.gz WLMOZIJZODWMBC-FGTMMUONSA-N 2 2 318.461 2.293 10 0 DEAELP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cn1 ZINC000247130680 145127125 /nfs/dbraw/zinc/12/71/25/145127125.db2.gz RRZPMXBFGSTBGZ-CKEIUWERSA-N 3 2 313.449 2.394 10 0 DEAELP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cn1 ZINC000247130680 145127126 /nfs/dbraw/zinc/12/71/26/145127126.db2.gz RRZPMXBFGSTBGZ-CKEIUWERSA-N 3 2 313.449 2.394 10 0 DEAELP Cc1nccn1-c1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cn1 ZINC000247130680 145127127 /nfs/dbraw/zinc/12/71/27/145127127.db2.gz RRZPMXBFGSTBGZ-CKEIUWERSA-N 2 2 313.449 2.394 10 0 DEAELP Cc1nccn1-c1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cn1 ZINC000247130680 145127128 /nfs/dbraw/zinc/12/71/28/145127128.db2.gz RRZPMXBFGSTBGZ-CKEIUWERSA-N 2 2 313.449 2.394 10 0 DEAELP CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc3[nH+]ccn3c2)[C@@H](C)C1 ZINC000247359264 145134548 /nfs/dbraw/zinc/13/45/48/145134548.db2.gz KBEFIWLZCJDERJ-ZFWWWQNUSA-N 2 2 300.406 2.137 10 0 DEAELP CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc3[nH+]ccn3c2)[C@@H](C)C1 ZINC000247359264 145134551 /nfs/dbraw/zinc/13/45/51/145134551.db2.gz KBEFIWLZCJDERJ-ZFWWWQNUSA-N 2 2 300.406 2.137 10 0 DEAELP Cc1[nH+]c2ccccc2n1CC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247560874 145141565 /nfs/dbraw/zinc/14/15/65/145141565.db2.gz ZOKHPRNALUXJGG-ZFWWWQNUSA-N 2 2 314.433 2.286 10 0 DEAELP Cc1[nH+]c2ccccc2n1CC(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000247560874 145141568 /nfs/dbraw/zinc/14/15/68/145141568.db2.gz ZOKHPRNALUXJGG-ZFWWWQNUSA-N 2 2 314.433 2.286 10 0 DEAELP C[C@H](C(=O)NCc1ccc[nH+]c1N(C)C)[NH+]1[C@H](C)CC[C@H]1C ZINC000249763378 145190135 /nfs/dbraw/zinc/19/01/35/145190135.db2.gz XYJPIEUFHKLRFM-MGPQQGTHSA-N 2 2 304.438 2.025 10 0 DEAELP C[N@H+](CC(=O)N1CCC[C@H]2CCCC[C@@H]21)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261653250 145214004 /nfs/dbraw/zinc/21/40/04/145214004.db2.gz FOLMOYHRCPMHKL-WKUFJEKOSA-N 2 2 319.493 2.382 10 0 DEAELP C[N@@H+](CC(=O)N1CCC[C@H]2CCCC[C@@H]21)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261653250 145214005 /nfs/dbraw/zinc/21/40/05/145214005.db2.gz FOLMOYHRCPMHKL-WKUFJEKOSA-N 2 2 319.493 2.382 10 0 DEAELP C[C@@]1(CN2CC[NH+](Cc3ccccc3Cl)CC2)CC[NH2+]C1 ZINC000261765570 145224545 /nfs/dbraw/zinc/22/45/45/145224545.db2.gz LVBJEMFTEFAIFW-QGZVFWFLSA-N 2 2 307.869 2.457 10 0 DEAELP C[C@@]1(C[NH+]2CCN(Cc3ccccc3Cl)CC2)CC[NH2+]C1 ZINC000261765570 145224546 /nfs/dbraw/zinc/22/45/46/145224546.db2.gz LVBJEMFTEFAIFW-QGZVFWFLSA-N 2 2 307.869 2.457 10 0 DEAELP C[NH+](C)[C@H](CN[C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)c1cccs1 ZINC000261907970 145240180 /nfs/dbraw/zinc/24/01/80/145240180.db2.gz INZKTUMXOVPSEM-KLHDSHLOSA-N 2 2 323.506 2.098 10 0 DEAELP Cc1cccc(C)c1NC(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261933175 145244396 /nfs/dbraw/zinc/24/43/96/145244396.db2.gz JWBZXZXFAXFRPY-XYPWUTKMSA-N 2 2 301.434 2.457 10 0 DEAELP Cc1cccc(C)c1NC(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261933175 145244397 /nfs/dbraw/zinc/24/43/97/145244397.db2.gz JWBZXZXFAXFRPY-XYPWUTKMSA-N 2 2 301.434 2.457 10 0 DEAELP C[C@@H](C[NH3+])C(=O)N1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000262325582 145276467 /nfs/dbraw/zinc/27/64/67/145276467.db2.gz FYEHXLCRVVRZOV-STQMWFEESA-N 2 2 309.841 2.140 10 0 DEAELP Cc1ccccc1CN(C)C(=O)C[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000262553530 145292308 /nfs/dbraw/zinc/29/23/08/145292308.db2.gz SXLZEWFKWCBKOB-MRXNPFEDSA-N 2 2 303.450 2.013 10 0 DEAELP Cc1ccccc1CN(C)C(=O)C[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000262553530 145292311 /nfs/dbraw/zinc/29/23/11/145292311.db2.gz SXLZEWFKWCBKOB-MRXNPFEDSA-N 2 2 303.450 2.013 10 0 DEAELP Cc1nn(C)c(C)c1C[NH+]1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000134953816 401921623 /nfs/dbraw/zinc/92/16/23/401921623.db2.gz QLSQWKHXOIOTET-UHFFFAOYSA-N 2 2 324.432 2.235 10 0 DEAELP CC(C)(C)OC(=O)N1C[C@H]([NH3+])[C@H](c2[nH+]ccc3[nH]ccc32)C1 ZINC000089220770 401938952 /nfs/dbraw/zinc/93/89/52/401938952.db2.gz VCNPCIVVKYWICT-NEPJUHHUSA-N 2 2 302.378 2.225 10 0 DEAELP COc1cc(OCc2ccccc2)c([C@@H]([NH3+])C[NH3+])cc1OC ZINC000044470018 401943388 /nfs/dbraw/zinc/94/33/88/401943388.db2.gz QEWZKBMGXBZJFJ-AWEZNQCLSA-N 2 2 302.374 2.241 10 0 DEAELP OC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000152706006 402104326 /nfs/dbraw/zinc/10/43/26/402104326.db2.gz RDPSHDJNXXXYSD-NHCUHLMSSA-N 2 2 324.468 2.497 10 0 DEAELP OC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000152706006 402104330 /nfs/dbraw/zinc/10/43/30/402104330.db2.gz RDPSHDJNXXXYSD-NHCUHLMSSA-N 2 2 324.468 2.497 10 0 DEAELP CCOc1ccccc1NC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123026298 402106564 /nfs/dbraw/zinc/10/65/64/402106564.db2.gz ANHVNIWMLQAQCT-HUUCEWRRSA-N 2 2 319.449 2.438 10 0 DEAELP CCOc1ccccc1NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123026298 402106566 /nfs/dbraw/zinc/10/65/66/402106566.db2.gz ANHVNIWMLQAQCT-HUUCEWRRSA-N 2 2 319.449 2.438 10 0 DEAELP CCOc1ccccc1NC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123026298 402106569 /nfs/dbraw/zinc/10/65/69/402106569.db2.gz ANHVNIWMLQAQCT-HUUCEWRRSA-N 2 2 319.449 2.438 10 0 DEAELP CCOc1ccccc1NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123026298 402106572 /nfs/dbraw/zinc/10/65/72/402106572.db2.gz ANHVNIWMLQAQCT-HUUCEWRRSA-N 2 2 319.449 2.438 10 0 DEAELP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N(C)CCCn1cc[nH+]c1 ZINC000124273579 402172149 /nfs/dbraw/zinc/17/21/49/402172149.db2.gz DUOIDNWNCFAKEW-MRXNPFEDSA-N 2 2 321.469 2.035 10 0 DEAELP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N(C)CCCn1cc[nH+]c1 ZINC000124273579 402172151 /nfs/dbraw/zinc/17/21/51/402172151.db2.gz DUOIDNWNCFAKEW-MRXNPFEDSA-N 2 2 321.469 2.035 10 0 DEAELP CC[C@H](C)[N@H+](C)CCNC(=O)NCc1[nH+]ccn1CC(C)C ZINC000176451753 402310570 /nfs/dbraw/zinc/31/05/70/402310570.db2.gz HZWCMPSOQMTARR-AWEZNQCLSA-N 2 2 309.458 2.069 10 0 DEAELP CC[C@H](C)[N@@H+](C)CCNC(=O)NCc1[nH+]ccn1CC(C)C ZINC000176451753 402310573 /nfs/dbraw/zinc/31/05/73/402310573.db2.gz HZWCMPSOQMTARR-AWEZNQCLSA-N 2 2 309.458 2.069 10 0 DEAELP Cn1cc([C@H]2CCC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)nc2)cn1 ZINC000177118262 402371808 /nfs/dbraw/zinc/37/18/08/402371808.db2.gz GCUYZJGKZGQYRZ-MRXNPFEDSA-N 2 2 308.389 2.338 10 0 DEAELP Cn1cc([C@H]2CCC[N@H+]2Cc2ccc(-n3cc[nH+]c3)nc2)cn1 ZINC000177118262 402371810 /nfs/dbraw/zinc/37/18/10/402371810.db2.gz GCUYZJGKZGQYRZ-MRXNPFEDSA-N 2 2 308.389 2.338 10 0 DEAELP C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)C2([NH3+])CC2)CC1 ZINC000237413962 402407576 /nfs/dbraw/zinc/40/75/76/402407576.db2.gz OUUGFFMMOMRFRQ-GFCCVEGCSA-N 2 2 307.825 2.037 10 0 DEAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000163377180 402447733 /nfs/dbraw/zinc/44/77/33/402447733.db2.gz QVFODUDQHUCQLX-HOCLYGCPSA-N 2 2 320.433 2.219 10 0 DEAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000163377180 402447736 /nfs/dbraw/zinc/44/77/36/402447736.db2.gz QVFODUDQHUCQLX-HOCLYGCPSA-N 2 2 320.433 2.219 10 0 DEAELP CC(C)Cn1ncnc1C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245517135 402468020 /nfs/dbraw/zinc/46/80/20/402468020.db2.gz GPLJJORVYSOIQK-HUUCEWRRSA-N 2 2 302.426 2.214 10 0 DEAELP CC(C)Cn1ncnc1C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245517135 402468024 /nfs/dbraw/zinc/46/80/24/402468024.db2.gz GPLJJORVYSOIQK-HUUCEWRRSA-N 2 2 302.426 2.214 10 0 DEAELP Cc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)c(C)n1 ZINC000187024731 402478443 /nfs/dbraw/zinc/47/84/43/402478443.db2.gz RYDCEBPYBOSLSJ-KRWDZBQOSA-N 2 2 303.450 2.243 10 0 DEAELP Cc1cnn(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000245699394 402480989 /nfs/dbraw/zinc/48/09/89/402480989.db2.gz QMHHBXKYQQGFSJ-AEFFLSMTSA-N 2 2 313.449 2.087 10 0 DEAELP Cc1cnn(CC[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000245699394 402480992 /nfs/dbraw/zinc/48/09/92/402480992.db2.gz QMHHBXKYQQGFSJ-AEFFLSMTSA-N 2 2 313.449 2.087 10 0 DEAELP CC[N@H+](C)[C@H](C(=O)N1CC[NH+]2CCCC[C@@H]2C1)c1ccccc1 ZINC000171477298 402588980 /nfs/dbraw/zinc/58/89/80/402588980.db2.gz VQTAGBCKMBXNFC-MSOLQXFVSA-N 2 2 315.461 2.376 10 0 DEAELP CC[N@@H+](C)[C@H](C(=O)N1CC[NH+]2CCCC[C@@H]2C1)c1ccccc1 ZINC000171477298 402588982 /nfs/dbraw/zinc/58/89/82/402588982.db2.gz VQTAGBCKMBXNFC-MSOLQXFVSA-N 2 2 315.461 2.376 10 0 DEAELP CC[NH+](C)[C@H](C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)c1ccccc1 ZINC000171477298 402588985 /nfs/dbraw/zinc/58/89/85/402588985.db2.gz VQTAGBCKMBXNFC-MSOLQXFVSA-N 2 2 315.461 2.376 10 0 DEAELP CC[NH+](C)[C@H](C(=O)N1CC[N@H+]2CCCC[C@@H]2C1)c1ccccc1 ZINC000171477298 402588986 /nfs/dbraw/zinc/58/89/86/402588986.db2.gz VQTAGBCKMBXNFC-MSOLQXFVSA-N 2 2 315.461 2.376 10 0 DEAELP CCOC(=O)[C@H](CC)[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248657359 402602234 /nfs/dbraw/zinc/60/22/34/402602234.db2.gz SITDGDGMLQEAAH-IRXDYDNUSA-N 2 2 319.449 2.177 10 0 DEAELP CCOC(=O)[C@H](CC)[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248657359 402602237 /nfs/dbraw/zinc/60/22/37/402602237.db2.gz SITDGDGMLQEAAH-IRXDYDNUSA-N 2 2 319.449 2.177 10 0 DEAELP CCOC(=O)[C@H](CC)[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248657359 402602240 /nfs/dbraw/zinc/60/22/40/402602240.db2.gz SITDGDGMLQEAAH-IRXDYDNUSA-N 2 2 319.449 2.177 10 0 DEAELP CCOC(=O)[C@H](CC)[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000248657359 402602243 /nfs/dbraw/zinc/60/22/43/402602243.db2.gz SITDGDGMLQEAAH-IRXDYDNUSA-N 2 2 319.449 2.177 10 0 DEAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](C[C@H]2CCCCO2)C1 ZINC000248663373 402602345 /nfs/dbraw/zinc/60/23/45/402602345.db2.gz ZPFZBYJDHAFWCJ-ZWKOTPCHSA-N 2 2 303.450 2.404 10 0 DEAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](C[C@H]2CCCCO2)C1 ZINC000248663373 402602346 /nfs/dbraw/zinc/60/23/46/402602346.db2.gz ZPFZBYJDHAFWCJ-ZWKOTPCHSA-N 2 2 303.450 2.404 10 0 DEAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](C[C@H]2CCCCO2)C1 ZINC000248663373 402602348 /nfs/dbraw/zinc/60/23/48/402602348.db2.gz ZPFZBYJDHAFWCJ-ZWKOTPCHSA-N 2 2 303.450 2.404 10 0 DEAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](C[C@H]2CCCCO2)C1 ZINC000248663373 402602350 /nfs/dbraw/zinc/60/23/50/402602350.db2.gz ZPFZBYJDHAFWCJ-ZWKOTPCHSA-N 2 2 303.450 2.404 10 0 DEAELP CC(C)(C)n1cc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)nn1 ZINC000191304655 402659675 /nfs/dbraw/zinc/65/96/75/402659675.db2.gz OABUFWJHOCEEEF-AWEZNQCLSA-N 2 2 314.437 2.362 10 0 DEAELP CC(C)(C)n1cc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)nn1 ZINC000191304655 402659676 /nfs/dbraw/zinc/65/96/76/402659676.db2.gz OABUFWJHOCEEEF-AWEZNQCLSA-N 2 2 314.437 2.362 10 0 DEAELP CC[NH+](CC)CCCC1CC[NH+](Cc2nc(N(C)C)no2)CC1 ZINC000192792466 402750345 /nfs/dbraw/zinc/75/03/45/402750345.db2.gz BVXZQPCVNLXMSY-UHFFFAOYSA-N 2 2 323.485 2.470 10 0 DEAELP CCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515883 402848722 /nfs/dbraw/zinc/84/87/22/402848722.db2.gz FCUKZMQSGUBTEO-HUUCEWRRSA-N 2 2 304.438 2.120 10 0 DEAELP CCCCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515883 402848724 /nfs/dbraw/zinc/84/87/24/402848724.db2.gz FCUKZMQSGUBTEO-HUUCEWRRSA-N 2 2 304.438 2.120 10 0 DEAELP FC(F)(F)COCC[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000195516004 402849033 /nfs/dbraw/zinc/84/90/33/402849033.db2.gz KBMWOGHELXPDOR-LBPRGKRZSA-N 2 2 303.328 2.394 10 0 DEAELP FC(F)(F)COCC[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000195516004 402849034 /nfs/dbraw/zinc/84/90/34/402849034.db2.gz KBMWOGHELXPDOR-LBPRGKRZSA-N 2 2 303.328 2.394 10 0 DEAELP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cn[nH]c1 ZINC000285084458 403277662 /nfs/dbraw/zinc/27/76/62/403277662.db2.gz JSWBJIXJABRAMI-MAUKXSAKSA-N 2 2 314.433 2.351 10 0 DEAELP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1cn[nH]c1 ZINC000285084458 403277664 /nfs/dbraw/zinc/27/76/64/403277664.db2.gz JSWBJIXJABRAMI-MAUKXSAKSA-N 2 2 314.433 2.351 10 0 DEAELP C[C@@H]1C[N@H+](Cc2ncc(C3CC3)o2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370149760 404350579 /nfs/dbraw/zinc/35/05/79/404350579.db2.gz POUVJGJPQXWDOI-ZBFHGGJFSA-N 2 2 318.465 2.010 10 0 DEAELP C[C@@H]1C[N@@H+](Cc2ncc(C3CC3)o2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370149760 404350586 /nfs/dbraw/zinc/35/05/86/404350586.db2.gz POUVJGJPQXWDOI-ZBFHGGJFSA-N 2 2 318.465 2.010 10 0 DEAELP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CCC[N@@H+]2CCCO)cc1 ZINC000449389806 405539212 /nfs/dbraw/zinc/53/92/12/405539212.db2.gz UCOVVYKTVAAZGR-NVXWUHKLSA-N 2 2 306.450 2.063 10 0 DEAELP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CCC[N@H+]2CCCO)cc1 ZINC000449389806 405539214 /nfs/dbraw/zinc/53/92/14/405539214.db2.gz UCOVVYKTVAAZGR-NVXWUHKLSA-N 2 2 306.450 2.063 10 0 DEAELP c1ccc([C@@H]2CC[C@H](C[NH2+][C@@H](C3CC3)[C@@H]3C[NH2+]CCO3)O2)cc1 ZINC000423119715 405701245 /nfs/dbraw/zinc/70/12/45/405701245.db2.gz DINSVBQGIDZOLM-XWSJACJDSA-N 2 2 316.445 2.263 10 0 DEAELP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2c(Br)cnn2C)C1 ZINC000486987897 406195846 /nfs/dbraw/zinc/19/58/46/406195846.db2.gz HFVUFENXJGUTJK-LLVKDONJSA-N 2 2 315.259 2.004 10 0 DEAELP CCC[N@H+]1CC[C@H](C[NH2+]Cc2c(Br)cnn2C)C1 ZINC000486987897 406195849 /nfs/dbraw/zinc/19/58/49/406195849.db2.gz HFVUFENXJGUTJK-LLVKDONJSA-N 2 2 315.259 2.004 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@@H]1CCC[N@H+](C)C1)C2 ZINC000570377716 406385077 /nfs/dbraw/zinc/38/50/77/406385077.db2.gz RKIPFLLZOLNBPL-KBPBESRZSA-N 2 2 318.465 2.096 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@@H]1CCC[N@@H+](C)C1)C2 ZINC000570377716 406385078 /nfs/dbraw/zinc/38/50/78/406385078.db2.gz RKIPFLLZOLNBPL-KBPBESRZSA-N 2 2 318.465 2.096 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@@H]1CCC[N@H+](C)C1)CC2 ZINC000570377716 406385081 /nfs/dbraw/zinc/38/50/81/406385081.db2.gz RKIPFLLZOLNBPL-KBPBESRZSA-N 2 2 318.465 2.096 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](C)C1)CC2 ZINC000570377716 406385083 /nfs/dbraw/zinc/38/50/83/406385083.db2.gz RKIPFLLZOLNBPL-KBPBESRZSA-N 2 2 318.465 2.096 10 0 DEAELP C[N@H+](CCC[NH2+][C@@H]1CCCS(=O)(=O)CC1)Cc1ccccc1 ZINC000634951353 406367123 /nfs/dbraw/zinc/36/71/23/406367123.db2.gz UEGSWIKKSNBGPT-QGZVFWFLSA-N 2 2 324.490 2.065 10 0 DEAELP C[N@@H+](CCC[NH2+][C@@H]1CCCS(=O)(=O)CC1)Cc1ccccc1 ZINC000634951353 406367125 /nfs/dbraw/zinc/36/71/25/406367125.db2.gz UEGSWIKKSNBGPT-QGZVFWFLSA-N 2 2 324.490 2.065 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1C[C@H](C)[N@H+](C)C[C@H]1C)C2 ZINC000526010066 406532659 /nfs/dbraw/zinc/53/26/59/406532659.db2.gz NFFYGVBIAGLKDH-BFHYXJOUSA-N 2 2 318.465 2.189 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1C[C@H](C)[N@@H+](C)C[C@H]1C)C2 ZINC000526010066 406532662 /nfs/dbraw/zinc/53/26/62/406532662.db2.gz NFFYGVBIAGLKDH-BFHYXJOUSA-N 2 2 318.465 2.189 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1C[C@H](C)[N@H+](C)C[C@H]1C)CC2 ZINC000526010066 406532664 /nfs/dbraw/zinc/53/26/64/406532664.db2.gz NFFYGVBIAGLKDH-BFHYXJOUSA-N 2 2 318.465 2.189 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1C[C@H](C)[N@@H+](C)C[C@H]1C)CC2 ZINC000526010066 406532666 /nfs/dbraw/zinc/53/26/66/406532666.db2.gz NFFYGVBIAGLKDH-BFHYXJOUSA-N 2 2 318.465 2.189 10 0 DEAELP Cc1cc(Br)cc2[nH+]c(C[C@@H]3C[NH2+]CCO3)[nH]c21 ZINC000129608152 196061540 /nfs/dbraw/zinc/06/15/40/196061540.db2.gz PVTOMKHWMGORCG-SNVBAGLBSA-N 2 2 310.195 2.165 10 0 DEAELP COCC[NH2+]C[C@@H](C)[NH2+]Cc1cc(C)cc(Br)c1 ZINC000130907876 196122327 /nfs/dbraw/zinc/12/23/27/196122327.db2.gz WGNXJYAGPKACKQ-GFCCVEGCSA-N 2 2 315.255 2.472 10 0 DEAELP Cc1cc[nH+]c(N(C)C[C@@H]2C[C@H](F)C[N@@H+]2Cc2cnn(C)c2)c1 ZINC000290944580 222018062 /nfs/dbraw/zinc/01/80/62/222018062.db2.gz LXEZCBZXBRQFBC-HOTGVXAUSA-N 2 2 317.412 2.172 10 0 DEAELP Cc1cc[nH+]c(N(C)C[C@@H]2C[C@H](F)C[N@H+]2Cc2cnn(C)c2)c1 ZINC000290944580 222018067 /nfs/dbraw/zinc/01/80/67/222018067.db2.gz LXEZCBZXBRQFBC-HOTGVXAUSA-N 2 2 317.412 2.172 10 0 DEAELP Cc1cccc(C)c1OC[C@H](O)C[NH+]1CCC([NH+](C)C)CC1 ZINC000193811954 424871611 /nfs/dbraw/zinc/87/16/11/424871611.db2.gz PVBHRQDVESGHGY-QGZVFWFLSA-N 2 2 306.450 2.069 10 0 DEAELP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1ccccc1Br ZINC000311090519 424894657 /nfs/dbraw/zinc/89/46/57/424894657.db2.gz ICKJDSBQXRLEGG-RYUDHWBXSA-N 2 2 315.255 2.412 10 0 DEAELP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1ccccc1Br ZINC000311090519 424894660 /nfs/dbraw/zinc/89/46/60/424894660.db2.gz ICKJDSBQXRLEGG-RYUDHWBXSA-N 2 2 315.255 2.412 10 0 DEAELP COc1cccc2c(N3C[C@H]4OCC[N@H+](C)[C@@H]4C3)cc(C)[nH+]c12 ZINC000130259661 278025512 /nfs/dbraw/zinc/02/55/12/278025512.db2.gz FQZVJYRGVPTLFD-NVXWUHKLSA-N 2 2 313.401 2.071 10 0 DEAELP COc1cccc2c(N3C[C@H]4OCC[N@@H+](C)[C@@H]4C3)cc(C)[nH+]c12 ZINC000130259661 278025516 /nfs/dbraw/zinc/02/55/16/278025516.db2.gz FQZVJYRGVPTLFD-NVXWUHKLSA-N 2 2 313.401 2.071 10 0 DEAELP CC1(C)C[N@H+](CC(=O)N2CCC[C@@H]3CCCC[C@@H]32)CC[C@H]1[NH3+] ZINC000262532294 281231226 /nfs/dbraw/zinc/23/12/26/281231226.db2.gz PTXKPAHEOACVGE-HRCADAONSA-N 2 2 307.482 2.227 10 0 DEAELP CC1(C)C[N@@H+](CC(=O)N2CCC[C@@H]3CCCC[C@@H]32)CC[C@H]1[NH3+] ZINC000262532294 281231227 /nfs/dbraw/zinc/23/12/27/281231227.db2.gz PTXKPAHEOACVGE-HRCADAONSA-N 2 2 307.482 2.227 10 0 DEAELP c1cc(C[NH+]2CCN(Cc3ccc4c(c3)C[NH2+]CC4)CC2)ccn1 ZINC000574763850 326184936 /nfs/dbraw/zinc/18/49/36/326184936.db2.gz YJHAJNQTJFMZJR-UHFFFAOYSA-N 2 2 322.456 2.045 10 0 DEAELP C[C@H](CC1CCOCC1)[NH2+][C@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000328646183 533787864 /nfs/dbraw/zinc/78/78/64/533787864.db2.gz SLXJCSZIBBWOFE-KMFMINBZSA-N 2 2 307.438 2.435 10 0 DEAELP CCCCNC(=O)C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000372563443 535282847 /nfs/dbraw/zinc/28/28/47/535282847.db2.gz KKBVZXTUOCQTJI-QGZVFWFLSA-N 2 2 309.498 2.491 10 0 DEAELP CCCCNC(=O)C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000372563443 535282852 /nfs/dbraw/zinc/28/28/52/535282852.db2.gz KKBVZXTUOCQTJI-QGZVFWFLSA-N 2 2 309.498 2.491 10 0 DEAELP COc1ccc(Br)cc1C[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000358102834 536639541 /nfs/dbraw/zinc/63/95/41/536639541.db2.gz WRPPZHVEQMKRMW-GWCFXTLKSA-N 2 2 313.239 2.497 10 0 DEAELP COc1ccc(Br)cc1C[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000358102834 536639549 /nfs/dbraw/zinc/63/95/49/536639549.db2.gz WRPPZHVEQMKRMW-GWCFXTLKSA-N 2 2 313.239 2.497 10 0 DEAELP COCC[N@@H+]1CCC[C@H]1C[NH2+]Cc1c[nH]nc1-c1ccc(C)o1 ZINC000069172118 648541985 /nfs/dbraw/zinc/54/19/85/648541985.db2.gz WYDFFLISIWAMJW-HNNXBMFYSA-N 2 2 318.421 2.179 10 0 DEAELP COCC[N@H+]1CCC[C@H]1C[NH2+]Cc1c[nH]nc1-c1ccc(C)o1 ZINC000069172118 648541987 /nfs/dbraw/zinc/54/19/87/648541987.db2.gz WYDFFLISIWAMJW-HNNXBMFYSA-N 2 2 318.421 2.179 10 0 DEAELP C[N@@H+](Cc1ccc(N)nn1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000703917451 1086568042 /nfs/dbraw/zinc/56/80/42/1086568042.db2.gz SJLJJHNTSAYVAI-MRXNPFEDSA-N 2 2 311.433 2.013 10 0 DEAELP C[N@H+](Cc1ccc(N)nn1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000703917451 1086568047 /nfs/dbraw/zinc/56/80/47/1086568047.db2.gz SJLJJHNTSAYVAI-MRXNPFEDSA-N 2 2 311.433 2.013 10 0 DEAELP C[NH+](Cc1ccc(N)nn1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000703917451 1086568054 /nfs/dbraw/zinc/56/80/54/1086568054.db2.gz SJLJJHNTSAYVAI-MRXNPFEDSA-N 2 2 311.433 2.013 10 0 DEAELP C[NH+](Cc1ccc(N)nn1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000703917451 1086568062 /nfs/dbraw/zinc/56/80/62/1086568062.db2.gz SJLJJHNTSAYVAI-MRXNPFEDSA-N 2 2 311.433 2.013 10 0 DEAELP COC(=O)/C(C)=C/C[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000705895938 1086628237 /nfs/dbraw/zinc/62/82/37/1086628237.db2.gz KBRAMMMMGCLSNO-JGTKTPFSSA-N 2 2 314.429 2.170 10 0 DEAELP COC(=O)/C(C)=C/C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000705895938 1086628240 /nfs/dbraw/zinc/62/82/40/1086628240.db2.gz KBRAMMMMGCLSNO-JGTKTPFSSA-N 2 2 314.429 2.170 10 0 DEAELP COC(=O)/C(C)=C/C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000705895938 1086628241 /nfs/dbraw/zinc/62/82/41/1086628241.db2.gz KBRAMMMMGCLSNO-JGTKTPFSSA-N 2 2 314.429 2.170 10 0 DEAELP COC(=O)/C(C)=C/C[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000705895938 1086628243 /nfs/dbraw/zinc/62/82/43/1086628243.db2.gz KBRAMMMMGCLSNO-JGTKTPFSSA-N 2 2 314.429 2.170 10 0 DEAELP C[C@@H](c1ccccc1Br)[NH+]1CC(N2CC[NH2+]CC2)C1 ZINC000090308277 185290140 /nfs/dbraw/zinc/29/01/40/185290140.db2.gz ZMDIMINGKHDJIX-LBPRGKRZSA-N 2 2 324.266 2.100 10 0 DEAELP C[C@@H](c1cccc(Br)c1)[NH+]1CCN(C2C[NH2+]C2)CC1 ZINC000090306263 185290346 /nfs/dbraw/zinc/29/03/46/185290346.db2.gz WTSOJSJLWOXDNC-LBPRGKRZSA-N 2 2 324.266 2.100 10 0 DEAELP CN(Cc1ccc(Br)cc1)[C@@H](C[NH3+])c1c[nH+]cn1C ZINC000090167501 185284663 /nfs/dbraw/zinc/28/46/63/185284663.db2.gz ZYFJHXMEUOZLSH-ZDUSSCGKSA-N 2 2 323.238 2.314 10 0 DEAELP c1ccc(NC2CC[NH+](CCOC3CCOCC3)CC2)[nH+]c1 ZINC000625277932 365710532 /nfs/dbraw/zinc/71/05/32/365710532.db2.gz USGGIPCPXTVINJ-UHFFFAOYSA-N 2 2 305.422 2.154 10 0 DEAELP C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000180238641 282236071 /nfs/dbraw/zinc/23/60/71/282236071.db2.gz ONRGMRSDCFEJLH-ILXRZTDVSA-N 2 2 311.470 2.316 10 0 DEAELP C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000180238641 282236073 /nfs/dbraw/zinc/23/60/73/282236073.db2.gz ONRGMRSDCFEJLH-ILXRZTDVSA-N 2 2 311.470 2.316 10 0 DEAELP [NH3+]C[C@@H]([NH2+]C[C@H]1CCCO1)c1ccc(Br)s1 ZINC000083774173 192382954 /nfs/dbraw/zinc/38/29/54/192382954.db2.gz KMQFJYVDTSCPCA-RKDXNWHRSA-N 2 2 305.241 2.279 10 0 DEAELP COc1ccccc1NC(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000139902706 186024258 /nfs/dbraw/zinc/02/42/58/186024258.db2.gz QSHZOPVTIBEMAP-HOCLYGCPSA-N 2 2 317.433 2.050 10 0 DEAELP COc1ccccc1NC(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000139902706 186024259 /nfs/dbraw/zinc/02/42/59/186024259.db2.gz QSHZOPVTIBEMAP-HOCLYGCPSA-N 2 2 317.433 2.050 10 0 DEAELP COc1ccccc1NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000139902706 186024260 /nfs/dbraw/zinc/02/42/60/186024260.db2.gz QSHZOPVTIBEMAP-HOCLYGCPSA-N 2 2 317.433 2.050 10 0 DEAELP COc1ccccc1NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000139902706 186024261 /nfs/dbraw/zinc/02/42/61/186024261.db2.gz QSHZOPVTIBEMAP-HOCLYGCPSA-N 2 2 317.433 2.050 10 0 DEAELP CC[C@@H]([NH3+])[C@H](c1ccc(Cl)cc1)[N@H+](CCO)CCOC ZINC000164208276 186152139 /nfs/dbraw/zinc/15/21/39/186152139.db2.gz OYHWDFADXLVBNN-CABCVRRESA-N 2 2 300.830 2.059 10 0 DEAELP CC[C@@H]([NH3+])[C@H](c1ccc(Cl)cc1)[N@@H+](CCO)CCOC ZINC000164208276 186152141 /nfs/dbraw/zinc/15/21/41/186152141.db2.gz OYHWDFADXLVBNN-CABCVRRESA-N 2 2 300.830 2.059 10 0 DEAELP CCC(CC)CN1CC2(CC[NH+](CC(C)(C)[NH3+])CC2)OC1=O ZINC000072479365 191180369 /nfs/dbraw/zinc/18/03/69/191180369.db2.gz CUZSEIMEQHUPSM-UHFFFAOYSA-N 2 2 311.470 2.447 10 0 DEAELP CC(C)[N@@H+](C)CC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173920131 198269840 /nfs/dbraw/zinc/26/98/40/198269840.db2.gz HEMLEEYPVRFBFD-CQSZACIVSA-N 2 2 300.406 2.390 10 0 DEAELP C[C@H]1C[C@H](N(C)C(=O)NCCCNc2cccc[nH+]2)CC[N@@H+]1C ZINC000173955087 198273269 /nfs/dbraw/zinc/27/32/69/198273269.db2.gz HHFWIJJOOFECOF-LSDHHAIUSA-N 2 2 319.453 2.008 10 0 DEAELP C[C@H]1C[C@H](N(C)C(=O)NCCCNc2cccc[nH+]2)CC[N@H+]1C ZINC000173955087 198273270 /nfs/dbraw/zinc/27/32/70/198273270.db2.gz HHFWIJJOOFECOF-LSDHHAIUSA-N 2 2 319.453 2.008 10 0 DEAELP COC[C@H]1CC[N@@H+]([C@@H](C[NH3+])c2ccc(OC(F)F)cc2)C1 ZINC000081049213 192219713 /nfs/dbraw/zinc/21/97/13/192219713.db2.gz VAFKILIBKFWIAP-FZMZJTMJSA-N 2 2 300.349 2.256 10 0 DEAELP COC[C@H]1CC[N@H+]([C@@H](C[NH3+])c2ccc(OC(F)F)cc2)C1 ZINC000081049213 192219717 /nfs/dbraw/zinc/21/97/17/192219717.db2.gz VAFKILIBKFWIAP-FZMZJTMJSA-N 2 2 300.349 2.256 10 0 DEAELP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400394482 283156757 /nfs/dbraw/zinc/15/67/57/283156757.db2.gz JBZZOUQNXOVYLT-SOUVJXGZSA-N 2 2 323.481 2.458 10 0 DEAELP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)C1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400394482 283156759 /nfs/dbraw/zinc/15/67/59/283156759.db2.gz JBZZOUQNXOVYLT-SOUVJXGZSA-N 2 2 323.481 2.458 10 0 DEAELP c1cn(-c2cc(N3CCCC[C@H]([NH+]4CCCC4)C3)ncn2)c[nH+]1 ZINC000607145795 361071630 /nfs/dbraw/zinc/07/16/30/361071630.db2.gz ZQBCCQZGNWZIHD-HNNXBMFYSA-N 2 2 312.421 2.117 10 0 DEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C(N)=O)c2ccccc2)C1 ZINC000247370550 202664930 /nfs/dbraw/zinc/66/49/30/202664930.db2.gz UPEWUEJIMSOOPF-NVXWUHKLSA-N 2 2 312.417 2.309 10 0 DEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C(N)=O)c2ccccc2)C1 ZINC000247370550 202664932 /nfs/dbraw/zinc/66/49/32/202664932.db2.gz UPEWUEJIMSOOPF-NVXWUHKLSA-N 2 2 312.417 2.309 10 0 DEAELP Brc1ccnc2c1C[N@H+](CCn1cc[nH+]c1)CC2 ZINC000623287322 364967708 /nfs/dbraw/zinc/96/77/08/364967708.db2.gz YMFXWPAYYCVWIR-UHFFFAOYSA-N 2 2 307.195 2.099 10 0 DEAELP Brc1ccnc2c1C[N@@H+](CCn1cc[nH+]c1)CC2 ZINC000623287322 364967713 /nfs/dbraw/zinc/96/77/13/364967713.db2.gz YMFXWPAYYCVWIR-UHFFFAOYSA-N 2 2 307.195 2.099 10 0 DEAELP CCC[NH2+][C@@H](CCCS(C)(=O)=O)C1([NH+](C)C)CCCCC1 ZINC000091648106 193085021 /nfs/dbraw/zinc/08/50/21/193085021.db2.gz ORSIKNWGVVUPAS-HNNXBMFYSA-N 2 2 318.527 2.444 10 0 DEAELP c1ccc2c(c1)CSC[C@@H]2[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091666429 193087810 /nfs/dbraw/zinc/08/78/10/193087810.db2.gz DYRBFUGLUFQZKP-INMHGKMJSA-N 2 2 304.459 2.427 10 0 DEAELP c1ccc2c(c1)CSC[C@@H]2[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091666429 193087812 /nfs/dbraw/zinc/08/78/12/193087812.db2.gz DYRBFUGLUFQZKP-INMHGKMJSA-N 2 2 304.459 2.427 10 0 DEAELP CC[NH2+][C@H](c1ccc(Cl)c(OC)c1)[C@@H]1C[N@H+](C)CCN1C ZINC000094009138 193338423 /nfs/dbraw/zinc/33/84/23/193338423.db2.gz MYTSIOIJHPGMTE-GOEBONIOSA-N 2 2 311.857 2.245 10 0 DEAELP CC[NH2+][C@H](c1ccc(Cl)c(OC)c1)[C@@H]1C[N@@H+](C)CCN1C ZINC000094009138 193338426 /nfs/dbraw/zinc/33/84/26/193338426.db2.gz MYTSIOIJHPGMTE-GOEBONIOSA-N 2 2 311.857 2.245 10 0 DEAELP CCC[NH2+][C@@H](Cc1ccc(CC)s1)[C@H]1C[N@H+](C)CCN1C ZINC000093896113 193325732 /nfs/dbraw/zinc/32/57/32/193325732.db2.gz DDJGMPJQVUNXTQ-DLBZAZTESA-N 2 2 309.523 2.467 10 0 DEAELP CCC[NH2+][C@@H](Cc1ccc(CC)s1)[C@H]1C[N@@H+](C)CCN1C ZINC000093896113 193325734 /nfs/dbraw/zinc/32/57/34/193325734.db2.gz DDJGMPJQVUNXTQ-DLBZAZTESA-N 2 2 309.523 2.467 10 0 DEAELP CC(C)([C@H]([NH3+])[C@H]1CCC[C@H](S(C)(=O)=O)C1)[NH+]1CCCCC1 ZINC000094642893 193389170 /nfs/dbraw/zinc/38/91/70/193389170.db2.gz JONWKSCYOMNPFK-SOUVJXGZSA-N 2 2 316.511 2.182 10 0 DEAELP CCCOc1c(Cl)cc(C[NH2+]CC[NH2+]CCO)cc1Cl ZINC000020967503 182256899 /nfs/dbraw/zinc/25/68/99/182256899.db2.gz AWLZGAWVWHHWIB-UHFFFAOYSA-N 2 2 321.248 2.454 10 0 DEAELP COCCC[N@H+](CCOC)[C@H](C[NH3+])c1cccc(Cl)c1 ZINC000042421023 183267822 /nfs/dbraw/zinc/26/78/22/183267822.db2.gz ZEHGVUQXLUBFQR-OAHLLOKOSA-N 2 2 300.830 2.325 10 0 DEAELP COCCC[N@@H+](CCOC)[C@H](C[NH3+])c1cccc(Cl)c1 ZINC000042421023 183267825 /nfs/dbraw/zinc/26/78/25/183267825.db2.gz ZEHGVUQXLUBFQR-OAHLLOKOSA-N 2 2 300.830 2.325 10 0 DEAELP C[N@H+](Cc1csc(Br)c1)[C@H](C[NH3+])[C@@H]1CCOC1 ZINC000042361008 183258203 /nfs/dbraw/zinc/25/82/03/183258203.db2.gz HCGRSBDSUHWBMS-GHMZBOCLSA-N 2 2 319.268 2.306 10 0 DEAELP C[N@@H+](Cc1csc(Br)c1)[C@H](C[NH3+])[C@@H]1CCOC1 ZINC000042361008 183258205 /nfs/dbraw/zinc/25/82/05/183258205.db2.gz HCGRSBDSUHWBMS-GHMZBOCLSA-N 2 2 319.268 2.306 10 0 DEAELP CCC[N@H+](CCO)[C@@H](C[NH3+])c1cccc(Br)c1 ZINC000043021218 183330101 /nfs/dbraw/zinc/33/01/01/183330101.db2.gz TZHOMOZTRHWJJC-ZDUSSCGKSA-N 2 2 301.228 2.153 10 0 DEAELP CCC[N@@H+](CCO)[C@@H](C[NH3+])c1cccc(Br)c1 ZINC000043021218 183330103 /nfs/dbraw/zinc/33/01/03/183330103.db2.gz TZHOMOZTRHWJJC-ZDUSSCGKSA-N 2 2 301.228 2.153 10 0 DEAELP CC[C@H]([NH3+])[C@H](c1ccc(C)s1)[N@@H+]1CCCN(C(C)=O)CC1 ZINC000043243207 183346964 /nfs/dbraw/zinc/34/69/64/183346964.db2.gz MYBGKHJDCJVHNM-GOEBONIOSA-N 2 2 309.479 2.389 10 0 DEAELP CC[C@H]([NH3+])[C@H](c1ccc(C)s1)[N@H+]1CCCN(C(C)=O)CC1 ZINC000043243207 183346967 /nfs/dbraw/zinc/34/69/67/183346967.db2.gz MYBGKHJDCJVHNM-GOEBONIOSA-N 2 2 309.479 2.389 10 0 DEAELP CC(C)[N@H+](CCO)[C@@H](C[NH3+])c1cc(Br)cs1 ZINC000043287363 183351280 /nfs/dbraw/zinc/35/12/80/183351280.db2.gz PMEYMNWFYROONM-JTQLQIEISA-N 2 2 307.257 2.213 10 0 DEAELP CC(C)[N@@H+](CCO)[C@@H](C[NH3+])c1cc(Br)cs1 ZINC000043287363 183351281 /nfs/dbraw/zinc/35/12/81/183351281.db2.gz PMEYMNWFYROONM-JTQLQIEISA-N 2 2 307.257 2.213 10 0 DEAELP COCCC[N@H+](C)[C@@H](C[NH3+])c1cc(Br)cs1 ZINC000062029495 184202258 /nfs/dbraw/zinc/20/22/58/184202258.db2.gz WJTXDVLUMZVFEG-JTQLQIEISA-N 2 2 307.257 2.479 10 0 DEAELP COCCC[N@@H+](C)[C@@H](C[NH3+])c1cc(Br)cs1 ZINC000062029495 184202259 /nfs/dbraw/zinc/20/22/59/184202259.db2.gz WJTXDVLUMZVFEG-JTQLQIEISA-N 2 2 307.257 2.479 10 0 DEAELP COCCC[N@H+](C)[C@@H](C[NH3+])c1cccc(Br)c1 ZINC000062029384 184202341 /nfs/dbraw/zinc/20/23/41/184202341.db2.gz HKOLVNYXBCLCFZ-ZDUSSCGKSA-N 2 2 301.228 2.417 10 0 DEAELP COCCC[N@@H+](C)[C@@H](C[NH3+])c1cccc(Br)c1 ZINC000062029384 184202343 /nfs/dbraw/zinc/20/23/43/184202343.db2.gz HKOLVNYXBCLCFZ-ZDUSSCGKSA-N 2 2 301.228 2.417 10 0 DEAELP COCCC[N@H+](C)[C@@H](C[NH3+])c1cc(Cl)c2c(c1)OCCO2 ZINC000062029981 184202489 /nfs/dbraw/zinc/20/24/89/184202489.db2.gz HWDVEKHSEQCHAA-ZDUSSCGKSA-N 2 2 314.813 2.079 10 0 DEAELP COCCC[N@@H+](C)[C@@H](C[NH3+])c1cc(Cl)c2c(c1)OCCO2 ZINC000062029981 184202491 /nfs/dbraw/zinc/20/24/91/184202491.db2.gz HWDVEKHSEQCHAA-ZDUSSCGKSA-N 2 2 314.813 2.079 10 0 DEAELP CC1(C)Cc2nc(N3CCn4cc[nH+]c4C3)sc2[C@@H]([NH3+])C1 ZINC000062327777 184230985 /nfs/dbraw/zinc/23/09/85/184230985.db2.gz VIEYQWOIZGHOMD-JTQLQIEISA-N 2 2 303.435 2.332 10 0 DEAELP Cc1nnc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)n1C1CC1 ZINC000157586228 197199987 /nfs/dbraw/zinc/19/99/87/197199987.db2.gz HUVUBUZSEXWMHE-UHFFFAOYSA-N 2 2 303.454 2.229 10 0 DEAELP CCNc1cc(N2CC[N@@H+]3CCCC[C@@H]3C2)nc(SC)[nH+]1 ZINC000157374928 197182499 /nfs/dbraw/zinc/18/24/99/197182499.db2.gz SIEQPLJNKLCGQD-GFCCVEGCSA-N 2 2 307.467 2.305 10 0 DEAELP CCNc1cc(N2CC[N@H+]3CCCC[C@@H]3C2)nc(SC)[nH+]1 ZINC000157374928 197182500 /nfs/dbraw/zinc/18/25/00/197182500.db2.gz SIEQPLJNKLCGQD-GFCCVEGCSA-N 2 2 307.467 2.305 10 0 DEAELP CCNc1cc(N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)nc(SC)[nH+]1 ZINC000157403875 197184541 /nfs/dbraw/zinc/18/45/41/197184541.db2.gz YJWIJSJLJCJIIG-NWDGAFQWSA-N 2 2 307.467 2.303 10 0 DEAELP CCNc1cc(N2C[C@H]3CCC[N@H+]3C[C@@H]2C)nc(SC)[nH+]1 ZINC000157403875 197184543 /nfs/dbraw/zinc/18/45/43/197184543.db2.gz YJWIJSJLJCJIIG-NWDGAFQWSA-N 2 2 307.467 2.303 10 0 DEAELP C[C@@H]1C[N@H+](CCc2ccccc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000362703252 133246471 /nfs/dbraw/zinc/24/64/71/133246471.db2.gz PSHRBWKSGOPLCS-IEBWSBKVSA-N 2 2 301.478 2.187 10 0 DEAELP C[C@@H]1C[N@@H+](CCc2ccccc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000362703252 133246472 /nfs/dbraw/zinc/24/64/72/133246472.db2.gz PSHRBWKSGOPLCS-IEBWSBKVSA-N 2 2 301.478 2.187 10 0 DEAELP Cc1c[nH+]c2cc(C(=O)NC3C[C@H]4CCC[C@@H](C3)[N@H+]4C)ccn12 ZINC000563385672 292052400 /nfs/dbraw/zinc/05/24/00/292052400.db2.gz RLOLAKOKCORJST-MQVJKMGUSA-N 2 2 312.417 2.388 10 0 DEAELP Cc1c[nH+]c2cc(C(=O)NC3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)ccn12 ZINC000563385672 292052401 /nfs/dbraw/zinc/05/24/01/292052401.db2.gz RLOLAKOKCORJST-MQVJKMGUSA-N 2 2 312.417 2.388 10 0 DEAELP COCc1noc([C@@H](C)[NH+]2CCC(C[NH+]3CCCC3)CC2)n1 ZINC000181556462 144907165 /nfs/dbraw/zinc/90/71/65/144907165.db2.gz OWEGKLYMOWCSMR-CYBMUJFWSA-N 2 2 308.426 2.085 10 0 DEAELP CC(C)[NH2+]CC[NH+]1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000193466329 145086353 /nfs/dbraw/zinc/08/63/53/145086353.db2.gz NQDJTZSUTULESR-UHFFFAOYSA-N 2 2 324.856 2.384 10 0 DEAELP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193628692 145088292 /nfs/dbraw/zinc/08/82/92/145088292.db2.gz SHYVFUIOCHHDSA-UPJWGTAASA-N 2 2 307.825 2.160 10 0 DEAELP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193628692 145088293 /nfs/dbraw/zinc/08/82/93/145088293.db2.gz SHYVFUIOCHHDSA-UPJWGTAASA-N 2 2 307.825 2.160 10 0 DEAELP C[C@H](C(=O)Nc1ccc(Cl)cc1)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193628692 145088294 /nfs/dbraw/zinc/08/82/94/145088294.db2.gz SHYVFUIOCHHDSA-UPJWGTAASA-N 2 2 307.825 2.160 10 0 DEAELP C[C@H](C(=O)Nc1ccc(Cl)cc1)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193628692 145088295 /nfs/dbraw/zinc/08/82/95/145088295.db2.gz SHYVFUIOCHHDSA-UPJWGTAASA-N 2 2 307.825 2.160 10 0 DEAELP Cc1[nH+]c2ccccc2n1CC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000247154541 145127672 /nfs/dbraw/zinc/12/76/72/145127672.db2.gz KFDYCDLPNFSQRS-HIFRSBDPSA-N 2 2 312.417 2.040 10 0 DEAELP Cc1[nH+]c2ccccc2n1CC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000247154541 145127674 /nfs/dbraw/zinc/12/76/74/145127674.db2.gz KFDYCDLPNFSQRS-HIFRSBDPSA-N 2 2 312.417 2.040 10 0 DEAELP C[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000247352135 145134857 /nfs/dbraw/zinc/13/48/57/145134857.db2.gz LKGNTYSBQUBZKA-CVEARBPZSA-N 2 2 316.449 2.216 10 0 DEAELP C[C@@H]1CCCCN1C(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000247352135 145134858 /nfs/dbraw/zinc/13/48/58/145134858.db2.gz LKGNTYSBQUBZKA-CVEARBPZSA-N 2 2 316.449 2.216 10 0 DEAELP C[C@H]1CCc2ccccc2N1C(=O)C[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261904491 145239975 /nfs/dbraw/zinc/23/99/75/145239975.db2.gz WWDVPIFZTPDPJT-WMLDXEAASA-N 2 2 315.461 2.414 10 0 DEAELP C[C@H]1CCc2ccccc2N1C(=O)C[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261904491 145239977 /nfs/dbraw/zinc/23/99/77/145239977.db2.gz WWDVPIFZTPDPJT-WMLDXEAASA-N 2 2 315.461 2.414 10 0 DEAELP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)C1 ZINC000261962793 145247983 /nfs/dbraw/zinc/24/79/83/145247983.db2.gz PSBSHNKOCUNRSM-BRSBDYLESA-N 3 2 323.525 2.244 10 0 DEAELP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)C1 ZINC000261962793 145247984 /nfs/dbraw/zinc/24/79/84/145247984.db2.gz PSBSHNKOCUNRSM-BRSBDYLESA-N 3 2 323.525 2.244 10 0 DEAELP C[C@@H](NC(=O)C[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1)c1ccc(F)cc1 ZINC000262542355 145291083 /nfs/dbraw/zinc/29/10/83/145291083.db2.gz RGUBAVOLXIBAHT-IUODEOHRSA-N 2 2 307.413 2.062 10 0 DEAELP C[C@@H](NC(=O)C[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1)c1ccc(F)cc1 ZINC000262542355 145291085 /nfs/dbraw/zinc/29/10/85/145291085.db2.gz RGUBAVOLXIBAHT-IUODEOHRSA-N 2 2 307.413 2.062 10 0 DEAELP COC1([C@H](C)[NH2+]C[C@@H](c2ccccc2)[NH+](C)C)CCOCC1 ZINC000453054300 292146747 /nfs/dbraw/zinc/14/67/47/292146747.db2.gz HIIPEZBJMQNRHZ-RDJZCZTQSA-N 2 2 306.450 2.463 10 0 DEAELP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2COc3ccccc3O2)C[N@@H+]1C1CC1 ZINC000358297050 147107806 /nfs/dbraw/zinc/10/78/06/147107806.db2.gz LOFFPQKEQVBOFR-IJEWVQPXSA-N 2 2 302.418 2.431 10 0 DEAELP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2COc3ccccc3O2)C[N@H+]1C1CC1 ZINC000358297050 147107807 /nfs/dbraw/zinc/10/78/07/147107807.db2.gz LOFFPQKEQVBOFR-IJEWVQPXSA-N 2 2 302.418 2.431 10 0 DEAELP c1[nH+]c([C@@H]2CCC[N@@H+](CCC3OCCO3)C2)n2c1CCCC2 ZINC000370305456 148005326 /nfs/dbraw/zinc/00/53/26/148005326.db2.gz KRDFPEDAPOWNBM-CQSZACIVSA-N 2 2 305.422 2.162 10 0 DEAELP c1[nH+]c([C@@H]2CCC[N@H+](CCC3OCCO3)C2)n2c1CCCC2 ZINC000370305456 148005328 /nfs/dbraw/zinc/00/53/28/148005328.db2.gz KRDFPEDAPOWNBM-CQSZACIVSA-N 2 2 305.422 2.162 10 0 DEAELP Cn1cnnc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000370810423 148053129 /nfs/dbraw/zinc/05/31/29/148053129.db2.gz NZFPFEIGXZPQTN-ALOPSCKCSA-N 2 2 311.433 2.100 10 0 DEAELP Cn1cnnc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000370810423 148053131 /nfs/dbraw/zinc/05/31/31/148053131.db2.gz NZFPFEIGXZPQTN-ALOPSCKCSA-N 2 2 311.433 2.100 10 0 DEAELP c1cn(-c2ccc(C[NH2+][C@@H]3CCO[C@]4(CCOC4)C3)cc2)c[nH+]1 ZINC000371402023 148098732 /nfs/dbraw/zinc/09/87/32/148098732.db2.gz UGXZZDTXMUCFDO-SJLPKXTDSA-N 2 2 313.401 2.300 10 0 DEAELP CCC[N@H+](CC)CCNC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000372383156 148201906 /nfs/dbraw/zinc/20/19/06/148201906.db2.gz AYFZHUJIBGLWBL-AWEZNQCLSA-N 2 2 320.481 2.486 10 0 DEAELP CCC[N@@H+](CC)CCNC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000372383156 148201908 /nfs/dbraw/zinc/20/19/08/148201908.db2.gz AYFZHUJIBGLWBL-AWEZNQCLSA-N 2 2 320.481 2.486 10 0 DEAELP CCC[N@H+](CC)CCNC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000372383156 148201910 /nfs/dbraw/zinc/20/19/10/148201910.db2.gz AYFZHUJIBGLWBL-AWEZNQCLSA-N 2 2 320.481 2.486 10 0 DEAELP CCC[N@@H+](CC)CCNC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000372383156 148201912 /nfs/dbraw/zinc/20/19/12/148201912.db2.gz AYFZHUJIBGLWBL-AWEZNQCLSA-N 2 2 320.481 2.486 10 0 DEAELP CCC[N@H+](CC)CCNC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000372383159 148202288 /nfs/dbraw/zinc/20/22/88/148202288.db2.gz AYFZHUJIBGLWBL-CQSZACIVSA-N 2 2 320.481 2.486 10 0 DEAELP CCC[N@@H+](CC)CCNC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000372383159 148202289 /nfs/dbraw/zinc/20/22/89/148202289.db2.gz AYFZHUJIBGLWBL-CQSZACIVSA-N 2 2 320.481 2.486 10 0 DEAELP CCC[N@H+](CC)CCNC(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000372383159 148202292 /nfs/dbraw/zinc/20/22/92/148202292.db2.gz AYFZHUJIBGLWBL-CQSZACIVSA-N 2 2 320.481 2.486 10 0 DEAELP CCC[N@@H+](CC)CCNC(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000372383159 148202293 /nfs/dbraw/zinc/20/22/93/148202293.db2.gz AYFZHUJIBGLWBL-CQSZACIVSA-N 2 2 320.481 2.486 10 0 DEAELP c1ccc(OCCCC[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000129652091 401806844 /nfs/dbraw/zinc/80/68/44/401806844.db2.gz CCJMPUDGJWPLNW-GOSISDBHSA-N 2 2 318.461 2.500 10 0 DEAELP c1ccc(OCCCC[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000129652091 401806847 /nfs/dbraw/zinc/80/68/47/401806847.db2.gz CCJMPUDGJWPLNW-GOSISDBHSA-N 2 2 318.461 2.500 10 0 DEAELP c1nc(CNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)cs1 ZINC000119190157 401931941 /nfs/dbraw/zinc/93/19/41/401931941.db2.gz MDEDKYKBSLKJBN-UHFFFAOYSA-N 2 2 309.358 2.279 10 0 DEAELP CCOCCN1CC[N@H+](CCCCn2cc[nH+]c2C)C[C@H]1CC ZINC000120771628 402001642 /nfs/dbraw/zinc/00/16/42/402001642.db2.gz MQWNIEMHKREFQP-GOSISDBHSA-N 2 2 322.497 2.404 10 0 DEAELP CCOCCN1CC[N@@H+](CCCCn2cc[nH+]c2C)C[C@H]1CC ZINC000120771628 402001644 /nfs/dbraw/zinc/00/16/44/402001644.db2.gz MQWNIEMHKREFQP-GOSISDBHSA-N 2 2 322.497 2.404 10 0 DEAELP CCOCC[N@@H+]1CCN(CCCCn2cc[nH+]c2C)C[C@H]1CC ZINC000120771628 402001646 /nfs/dbraw/zinc/00/16/46/402001646.db2.gz MQWNIEMHKREFQP-GOSISDBHSA-N 2 2 322.497 2.404 10 0 DEAELP CCOCC[N@H+]1CCN(CCCCn2cc[nH+]c2C)C[C@H]1CC ZINC000120771628 402001647 /nfs/dbraw/zinc/00/16/47/402001647.db2.gz MQWNIEMHKREFQP-GOSISDBHSA-N 2 2 322.497 2.404 10 0 DEAELP C[C@@H](C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)N1CCOCC1 ZINC000123435239 402127857 /nfs/dbraw/zinc/12/78/57/402127857.db2.gz CEDPVUWTAZYXGP-HOTGVXAUSA-N 2 2 314.433 2.244 10 0 DEAELP C[C@@H]1C[C@H]([NH+](C)CC(=O)N(C)Cc2ccc(F)cc2)CC[N@@H+]1C ZINC000123576466 402135766 /nfs/dbraw/zinc/13/57/66/402135766.db2.gz MHGKFQXQUORLER-RHSMWYFYSA-N 2 2 321.440 2.199 10 0 DEAELP C[C@@H]1C[C@H]([NH+](C)CC(=O)N(C)Cc2ccc(F)cc2)CC[N@H+]1C ZINC000123576466 402135768 /nfs/dbraw/zinc/13/57/68/402135768.db2.gz MHGKFQXQUORLER-RHSMWYFYSA-N 2 2 321.440 2.199 10 0 DEAELP C[C@@H]1C[C@H]([N@H+](C)CC(=O)N(C)Cc2ccc(F)cc2)CC[NH+]1C ZINC000123576466 402135771 /nfs/dbraw/zinc/13/57/71/402135771.db2.gz MHGKFQXQUORLER-RHSMWYFYSA-N 2 2 321.440 2.199 10 0 DEAELP C[C@@H]1C[C@H]([N@@H+](C)CC(=O)N(C)Cc2ccc(F)cc2)CC[NH+]1C ZINC000123576466 402135772 /nfs/dbraw/zinc/13/57/72/402135772.db2.gz MHGKFQXQUORLER-RHSMWYFYSA-N 2 2 321.440 2.199 10 0 DEAELP C[C@@H]1C[C@@H]([NH+](C)CC(=O)N(C)Cc2ccc(F)cc2)CC[N@@H+]1C ZINC000123576954 402135855 /nfs/dbraw/zinc/13/58/55/402135855.db2.gz MHGKFQXQUORLER-PBHICJAKSA-N 2 2 321.440 2.199 10 0 DEAELP C[C@@H]1C[C@@H]([NH+](C)CC(=O)N(C)Cc2ccc(F)cc2)CC[N@H+]1C ZINC000123576954 402135857 /nfs/dbraw/zinc/13/58/57/402135857.db2.gz MHGKFQXQUORLER-PBHICJAKSA-N 2 2 321.440 2.199 10 0 DEAELP C[C@@H]1C[C@@H]([N@H+](C)CC(=O)N(C)Cc2ccc(F)cc2)CC[NH+]1C ZINC000123576954 402135861 /nfs/dbraw/zinc/13/58/61/402135861.db2.gz MHGKFQXQUORLER-PBHICJAKSA-N 2 2 321.440 2.199 10 0 DEAELP C[C@@H]1C[C@@H]([N@@H+](C)CC(=O)N(C)Cc2ccc(F)cc2)CC[NH+]1C ZINC000123576954 402135863 /nfs/dbraw/zinc/13/58/63/402135863.db2.gz MHGKFQXQUORLER-PBHICJAKSA-N 2 2 321.440 2.199 10 0 DEAELP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccc(N2CCOC2=O)cc1 ZINC000154530145 402216899 /nfs/dbraw/zinc/21/68/99/402216899.db2.gz NENISEVDKXVLBB-BBRMVZONSA-N 2 2 303.406 2.388 10 0 DEAELP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccc(N2CCOC2=O)cc1 ZINC000154530145 402216903 /nfs/dbraw/zinc/21/69/03/402216903.db2.gz NENISEVDKXVLBB-BBRMVZONSA-N 2 2 303.406 2.388 10 0 DEAELP ClC(Cl)(Cl)CC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000184576951 402278205 /nfs/dbraw/zinc/27/82/05/402278205.db2.gz PSRVTJNHZXKRSM-NSHDSACASA-N 2 2 315.672 2.401 10 0 DEAELP ClC(Cl)(Cl)CC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000184576951 402278207 /nfs/dbraw/zinc/27/82/07/402278207.db2.gz PSRVTJNHZXKRSM-NSHDSACASA-N 2 2 315.672 2.401 10 0 DEAELP CC[C@@H]1CN(Cc2cn3cc(C)ccc3[nH+]2)CC[N@@H+]1CCOC ZINC000176917243 402349759 /nfs/dbraw/zinc/34/97/59/402349759.db2.gz OMPRTBKOHQZAJY-QGZVFWFLSA-N 2 2 316.449 2.185 10 0 DEAELP CC[C@@H]1CN(Cc2cn3cc(C)ccc3[nH+]2)CC[N@H+]1CCOC ZINC000176917243 402349762 /nfs/dbraw/zinc/34/97/62/402349762.db2.gz OMPRTBKOHQZAJY-QGZVFWFLSA-N 2 2 316.449 2.185 10 0 DEAELP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000176975131 402355938 /nfs/dbraw/zinc/35/59/38/402355938.db2.gz ICDGWXOCLLAEGL-OAHLLOKOSA-N 2 2 314.433 2.287 10 0 DEAELP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000176975131 402355939 /nfs/dbraw/zinc/35/59/39/402355939.db2.gz ICDGWXOCLLAEGL-OAHLLOKOSA-N 2 2 314.433 2.287 10 0 DEAELP CCc1ccc(C[NH+]2CCN(Cc3c[nH+]cn3C)CC2)s1 ZINC000177121543 402371709 /nfs/dbraw/zinc/37/17/09/402371709.db2.gz VTZVTYZJSBYXGW-UHFFFAOYSA-N 2 2 304.463 2.362 10 0 DEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1nc(-c2ccco2)no1 ZINC000178286835 402480633 /nfs/dbraw/zinc/48/06/33/402480633.db2.gz QPWQNHLDPCEZHO-ZDUSSCGKSA-N 2 2 313.361 2.499 10 0 DEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1nc(-c2ccco2)no1 ZINC000178286835 402480635 /nfs/dbraw/zinc/48/06/35/402480635.db2.gz 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304.394 2.492 10 0 DEAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2nc(-c3ccoc3)no2)[C@@H](C)C1 ZINC000245432390 282388046 /nfs/dbraw/zinc/38/80/46/282388046.db2.gz OPBUAIVIWZGIRJ-GXTWGEPZSA-N 2 2 304.394 2.492 10 0 DEAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2nc(-c3ccoc3)no2)[C@@H](C)C1 ZINC000245432390 282388048 /nfs/dbraw/zinc/38/80/48/282388048.db2.gz OPBUAIVIWZGIRJ-GXTWGEPZSA-N 2 2 304.394 2.492 10 0 DEAELP CCOCC[N@@H+]1CCN(c2cc(CC)[nH+]c(C)n2)C[C@H]1CC ZINC000180434972 539645023 /nfs/dbraw/zinc/64/50/23/539645023.db2.gz SXDZOGQOONLEJW-MRXNPFEDSA-N 2 2 306.454 2.285 10 0 DEAELP CCOCC[N@H+]1CCN(c2cc(CC)[nH+]c(C)n2)C[C@H]1CC ZINC000180434972 539645027 /nfs/dbraw/zinc/64/50/27/539645027.db2.gz SXDZOGQOONLEJW-MRXNPFEDSA-N 2 2 306.454 2.285 10 0 DEAELP C[NH+](C)C1(CNc2nc(N)[nH+]cc2Br)CCCC1 ZINC000133714329 186009288 /nfs/dbraw/zinc/00/92/88/186009288.db2.gz NMZLNAZWNORFBY-UHFFFAOYSA-N 2 2 314.231 2.108 10 0 DEAELP CNc1cc(N2CC[C@H]([NH+]3CCCCC3)C2)nc(SC)[nH+]1 ZINC000149963328 186053560 /nfs/dbraw/zinc/05/35/60/186053560.db2.gz IXJPWNPXQDFTFH-LBPRGKRZSA-N 2 2 307.467 2.305 10 0 DEAELP [NH3+]C1CCN([C@H]2CC[N@H+](Cc3cc(Cl)ccc3F)C2)CC1 ZINC000163926632 186142927 /nfs/dbraw/zinc/14/29/27/186142927.db2.gz ZBAIORFJPDIPMP-HNNXBMFYSA-N 2 2 311.832 2.477 10 0 DEAELP [NH3+]C1CCN([C@H]2CC[N@@H+](Cc3cc(Cl)ccc3F)C2)CC1 ZINC000163926632 186142929 /nfs/dbraw/zinc/14/29/29/186142929.db2.gz ZBAIORFJPDIPMP-HNNXBMFYSA-N 2 2 311.832 2.477 10 0 DEAELP CCc1nnc(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)n1C ZINC000185709182 356210305 /nfs/dbraw/zinc/21/03/05/356210305.db2.gz HQILWGUZDBRMOB-UONOGXRCSA-N 2 2 305.470 2.120 10 0 DEAELP CCc1nnc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)n1C ZINC000185709182 356210308 /nfs/dbraw/zinc/21/03/08/356210308.db2.gz HQILWGUZDBRMOB-UONOGXRCSA-N 2 2 305.470 2.120 10 0 DEAELP CC(C)OC[C@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000380963006 356670327 /nfs/dbraw/zinc/67/03/27/356670327.db2.gz XISQDLHXUVJMGA-JQHSSLGASA-N 2 2 306.450 2.025 10 0 DEAELP CC(C)OC[C@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000380963006 356670330 /nfs/dbraw/zinc/67/03/30/356670330.db2.gz XISQDLHXUVJMGA-JQHSSLGASA-N 2 2 306.450 2.025 10 0 DEAELP Cn1c2ccccc2[nH+]c1NC1CCN(CC[NH+](C)C)CC1 ZINC000179282307 199009332 /nfs/dbraw/zinc/00/93/32/199009332.db2.gz UZQHWQXWQCEKFU-UHFFFAOYSA-N 2 2 301.438 2.011 10 0 DEAELP CCn1nccc1[C@@H]1OCCC[C@H]1C[N@@H+]1CCn2c[nH+]cc2C1 ZINC000668177956 540608667 /nfs/dbraw/zinc/60/86/67/540608667.db2.gz KLTWBAKOXADSDV-WMLDXEAASA-N 2 2 315.421 2.083 10 0 DEAELP CCn1nccc1[C@@H]1OCCC[C@H]1C[N@H+]1CCn2c[nH+]cc2C1 ZINC000668177956 540608670 /nfs/dbraw/zinc/60/86/70/540608670.db2.gz KLTWBAKOXADSDV-WMLDXEAASA-N 2 2 315.421 2.083 10 0 DEAELP O=C(NCCCNc1cccc[nH+]1)Nc1ccc2[nH+]ccn2c1 ZINC000606583534 361023455 /nfs/dbraw/zinc/02/34/55/361023455.db2.gz FOTPCHQBXLBECC-UHFFFAOYSA-N 2 2 310.361 2.353 10 0 DEAELP CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000608313965 361196559 /nfs/dbraw/zinc/19/65/59/361196559.db2.gz WZRXEJJPJFLTTM-CQSZACIVSA-N 2 2 301.394 2.282 10 0 DEAELP Fc1ccc(N2CC[NH+](CC[C@@H]3CSCC[NH2+]3)CC2)cc1 ZINC000091291975 193032564 /nfs/dbraw/zinc/03/25/64/193032564.db2.gz FFEHUOICRYDXGZ-OAHLLOKOSA-N 2 2 309.454 2.043 10 0 DEAELP CCS(=O)(=O)CCC[C@@H]([NH3+])C(C)(C)[NH+]1CCCCCC1 ZINC000091567775 193074875 /nfs/dbraw/zinc/07/48/75/193074875.db2.gz FFLXXQQXJRFFJZ-CQSZACIVSA-N 2 2 304.500 2.183 10 0 DEAELP CC[NH2+][C@H](CCCS(C)(=O)=O)C(CC)(CC)[NH+]1CCCC1 ZINC000091635504 193082211 /nfs/dbraw/zinc/08/22/11/193082211.db2.gz AFBUNZFRYCPTKA-OAHLLOKOSA-N 2 2 318.527 2.444 10 0 DEAELP C[NH2+]CCOCC[N@H+](C)Cc1cc(F)ccc1Br ZINC000629570154 367257013 /nfs/dbraw/zinc/25/70/13/367257013.db2.gz UZFLALDSBGJWBB-UHFFFAOYSA-N 2 2 319.218 2.256 10 0 DEAELP C[NH2+]CCOCC[N@@H+](C)Cc1cc(F)ccc1Br ZINC000629570154 367257019 /nfs/dbraw/zinc/25/70/19/367257019.db2.gz UZFLALDSBGJWBB-UHFFFAOYSA-N 2 2 319.218 2.256 10 0 DEAELP [NH3+][C@H](Cc1nc2ccccc2s1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000094251531 193355152 /nfs/dbraw/zinc/35/51/52/193355152.db2.gz SNEWBGROWTUJNA-YRGRVCCFSA-N 2 2 303.431 2.029 10 0 DEAELP [NH3+][C@H](Cc1nc2ccccc2s1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000094251531 193355154 /nfs/dbraw/zinc/35/51/54/193355154.db2.gz SNEWBGROWTUJNA-YRGRVCCFSA-N 2 2 303.431 2.029 10 0 DEAELP C[NH2+][C@H]([C@@H]1CCC[C@H](S(C)(=O)=O)C1)C1([NH+](C)C)CCCC1 ZINC000094642930 193388754 /nfs/dbraw/zinc/38/87/54/193388754.db2.gz LQAMEEPWKDPYJP-QLFBSQMISA-N 2 2 316.511 2.052 10 0 DEAELP CCC[NH2+][C@H](Cc1ccc(Cl)s1)[C@@H]1C[NH+]2CCN1CC2 ZINC000094510565 193376162 /nfs/dbraw/zinc/37/61/62/193376162.db2.gz PBLSQEIMPSRNGK-KGLIPLIRSA-N 2 2 313.898 2.312 10 0 DEAELP C[C@H](Cc1cnccn1)[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000453093121 244924258 /nfs/dbraw/zinc/92/42/58/244924258.db2.gz SOJMFSWAEHZGPK-OAHLLOKOSA-N 2 2 307.401 2.442 10 0 DEAELP COCCC[N@H+](CCOC)[C@@H](C[NH3+])c1cccc(Cl)c1 ZINC000042421022 183268052 /nfs/dbraw/zinc/26/80/52/183268052.db2.gz ZEHGVUQXLUBFQR-HNNXBMFYSA-N 2 2 300.830 2.325 10 0 DEAELP COCCC[N@@H+](CCOC)[C@@H](C[NH3+])c1cccc(Cl)c1 ZINC000042421022 183268053 /nfs/dbraw/zinc/26/80/53/183268053.db2.gz ZEHGVUQXLUBFQR-HNNXBMFYSA-N 2 2 300.830 2.325 10 0 DEAELP C[N@H+](Cc1cc(Br)cs1)C1(C[NH3+])CCOCC1 ZINC000042398374 183264315 /nfs/dbraw/zinc/26/43/15/183264315.db2.gz AGQFTTWNQAHRHW-UHFFFAOYSA-N 2 2 319.268 2.450 10 0 DEAELP C[N@@H+](Cc1cc(Br)cs1)C1(C[NH3+])CCOCC1 ZINC000042398374 183264317 /nfs/dbraw/zinc/26/43/17/183264317.db2.gz AGQFTTWNQAHRHW-UHFFFAOYSA-N 2 2 319.268 2.450 10 0 DEAELP CC[C@H]([NH3+])[C@H](c1cccc(Br)c1)[N@H+](C)CCO ZINC000043021011 183330007 /nfs/dbraw/zinc/33/00/07/183330007.db2.gz QIXXUEGVJNZVTH-STQMWFEESA-N 2 2 301.228 2.152 10 0 DEAELP CC[C@H]([NH3+])[C@H](c1cccc(Br)c1)[N@@H+](C)CCO ZINC000043021011 183330009 /nfs/dbraw/zinc/33/00/09/183330009.db2.gz QIXXUEGVJNZVTH-STQMWFEESA-N 2 2 301.228 2.152 10 0 DEAELP CC[C@H]([NH3+])[C@H](c1ccc(C)s1)[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000043240628 183345688 /nfs/dbraw/zinc/34/56/88/183345688.db2.gz NTLGGNCZQGRULR-GZBFAFLISA-N 2 2 309.479 2.388 10 0 DEAELP CC[C@H]([NH3+])[C@H](c1ccc(C)s1)[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000043240628 183345690 /nfs/dbraw/zinc/34/56/90/183345690.db2.gz NTLGGNCZQGRULR-GZBFAFLISA-N 2 2 309.479 2.388 10 0 DEAELP COCCC[N@H+](CCOC)[C@@H](c1ccc(C)s1)[C@@H](C)[NH3+] ZINC000043242696 183346406 /nfs/dbraw/zinc/34/64/06/183346406.db2.gz ILLOVFKKIJWOPL-UKRRQHHQSA-N 2 2 300.468 2.430 10 0 DEAELP COCCC[N@@H+](CCOC)[C@@H](c1ccc(C)s1)[C@@H](C)[NH3+] ZINC000043242696 183346408 /nfs/dbraw/zinc/34/64/08/183346408.db2.gz ILLOVFKKIJWOPL-UKRRQHHQSA-N 2 2 300.468 2.430 10 0 DEAELP CC[C@@H]([NH3+])[C@H](c1sccc1C)[NH+]1CCC(C(=O)NC)CC1 ZINC000043248021 183347305 /nfs/dbraw/zinc/34/73/05/183347305.db2.gz MUXSEORDHDVPIF-ZIAGYGMSSA-N 2 2 309.479 2.293 10 0 DEAELP Cc1ncc(C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)s1 ZINC000105863541 194149347 /nfs/dbraw/zinc/14/93/47/194149347.db2.gz YIKLWNGMPSHJKV-UHFFFAOYSA-N 2 2 319.478 2.244 10 0 DEAELP Cc1ncc(C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)s1 ZINC000105863541 194149349 /nfs/dbraw/zinc/14/93/49/194149349.db2.gz YIKLWNGMPSHJKV-UHFFFAOYSA-N 2 2 319.478 2.244 10 0 DEAELP CC[NH2+][C@@H]1CCCC[C@H]1C[NH+]1CCN(CC(F)(F)F)CC1 ZINC000061947764 184197790 /nfs/dbraw/zinc/19/77/90/184197790.db2.gz WACWTWHFDHFEKA-UONOGXRCSA-N 2 2 307.404 2.335 10 0 DEAELP CCC[NH2+][C@@H]1CCC[C@@H]1C[NH+]1CCN(CC(F)(F)F)CC1 ZINC000061947632 184198096 /nfs/dbraw/zinc/19/80/96/184198096.db2.gz URAGABNBBWAPOK-ZIAGYGMSSA-N 2 2 307.404 2.335 10 0 DEAELP COCCC[N@H+](C)[C@H](C[NH3+])c1cccc(Br)c1 ZINC000062029386 184202373 /nfs/dbraw/zinc/20/23/73/184202373.db2.gz HKOLVNYXBCLCFZ-CYBMUJFWSA-N 2 2 301.228 2.417 10 0 DEAELP COCCC[N@@H+](C)[C@H](C[NH3+])c1cccc(Br)c1 ZINC000062029386 184202374 /nfs/dbraw/zinc/20/23/74/184202374.db2.gz HKOLVNYXBCLCFZ-CYBMUJFWSA-N 2 2 301.228 2.417 10 0 DEAELP CC[NH+](CC)c1ccc(NS(=O)(=O)[C@@H]2CCC[NH2+]C2)cc1 ZINC000062996936 184264986 /nfs/dbraw/zinc/26/49/86/184264986.db2.gz MDACIYQEWJWTAC-OAHLLOKOSA-N 2 2 311.451 2.027 10 0 DEAELP CN1CCC[C@@H]([N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1=O ZINC000538712659 285052106 /nfs/dbraw/zinc/05/21/06/285052106.db2.gz KQAYYIBTWLQRNY-DLBZAZTESA-N 2 2 307.482 2.195 10 0 DEAELP CN1CCC[C@@H]([N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1=O ZINC000538712659 285052107 /nfs/dbraw/zinc/05/21/07/285052107.db2.gz KQAYYIBTWLQRNY-DLBZAZTESA-N 2 2 307.482 2.195 10 0 DEAELP CSCCC[N@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000328621384 533562753 /nfs/dbraw/zinc/56/27/53/533562753.db2.gz AJSYIDQTLYINOB-GOEBONIOSA-N 2 2 310.511 2.488 10 0 DEAELP CSCCC[N@@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000328621384 533562755 /nfs/dbraw/zinc/56/27/55/533562755.db2.gz AJSYIDQTLYINOB-GOEBONIOSA-N 2 2 310.511 2.488 10 0 DEAELP CSCCC[NH+](C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000328621384 533562757 /nfs/dbraw/zinc/56/27/57/533562757.db2.gz AJSYIDQTLYINOB-GOEBONIOSA-N 2 2 310.511 2.488 10 0 DEAELP CSCCC[NH+](C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000328621384 533562760 /nfs/dbraw/zinc/56/27/60/533562760.db2.gz AJSYIDQTLYINOB-GOEBONIOSA-N 2 2 310.511 2.488 10 0 DEAELP CC(C)CC(=O)Nc1ncc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)s1 ZINC000725273004 542770958 /nfs/dbraw/zinc/77/09/58/542770958.db2.gz XDKQFWKXAYEYBX-AAEUAGOBSA-N 2 2 310.467 2.297 10 0 DEAELP CC(C)CC(=O)Nc1ncc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)s1 ZINC000725273004 542770959 /nfs/dbraw/zinc/77/09/59/542770959.db2.gz XDKQFWKXAYEYBX-AAEUAGOBSA-N 2 2 310.467 2.297 10 0 DEAELP Cc1cc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)on1 ZINC000368609412 133280949 /nfs/dbraw/zinc/28/09/49/133280949.db2.gz YDFAZZPXFVMONH-KBXCAEBGSA-N 2 2 314.433 2.421 10 0 DEAELP Cc1cc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)on1 ZINC000368609412 133280950 /nfs/dbraw/zinc/28/09/50/133280950.db2.gz YDFAZZPXFVMONH-KBXCAEBGSA-N 2 2 314.433 2.421 10 0 DEAELP CC(=O)N1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+]2C)c2ccccc2C1 ZINC000376537932 133299438 /nfs/dbraw/zinc/29/94/38/133299438.db2.gz GHJDEKCJTFDYCV-WMZOPIPTSA-N 2 2 301.434 2.164 10 0 DEAELP CC(=O)N1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)c2ccccc2C1 ZINC000376537932 133299439 /nfs/dbraw/zinc/29/94/39/133299439.db2.gz GHJDEKCJTFDYCV-WMZOPIPTSA-N 2 2 301.434 2.164 10 0 DEAELP CCCNC(=O)[C@H](C)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180660373 144892780 /nfs/dbraw/zinc/89/27/80/144892780.db2.gz UEGUCJOCKAJBNI-KGLIPLIRSA-N 2 2 300.406 2.438 10 0 DEAELP C[C@@H]1CC[C@@](CO)([N@H+](C)Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000187908308 145004617 /nfs/dbraw/zinc/00/46/17/145004617.db2.gz VSALUCWHQQWYTF-RHSMWYFYSA-N 2 2 300.406 2.250 10 0 DEAELP C[C@@H]1CC[C@@](CO)([N@@H+](C)Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000187908308 145004619 /nfs/dbraw/zinc/00/46/19/145004619.db2.gz VSALUCWHQQWYTF-RHSMWYFYSA-N 2 2 300.406 2.250 10 0 DEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@@H](C)c1nc(C)cc(=O)[nH]1 ZINC000192613489 145076260 /nfs/dbraw/zinc/07/62/60/145076260.db2.gz QHYMBOCNBBKZJC-GXTWGEPZSA-N 2 2 301.394 2.221 10 0 DEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@@H](C)c1nc(C)cc(=O)[nH]1 ZINC000192613489 145076265 /nfs/dbraw/zinc/07/62/65/145076265.db2.gz QHYMBOCNBBKZJC-GXTWGEPZSA-N 2 2 301.394 2.221 10 0 DEAELP C[N@@H+]1CCC[C@H]2C[NH+](Cc3c[nH]nc3-c3cccnc3)CC[C@H]21 ZINC000252802503 145200434 /nfs/dbraw/zinc/20/04/34/145200434.db2.gz MQNBGWQCAGTPSE-DOTOQJQBSA-N 2 2 311.433 2.388 10 0 DEAELP C[N@H+]1CCC[C@H]2C[NH+](Cc3c[nH]nc3-c3cccnc3)CC[C@H]21 ZINC000252802503 145200435 /nfs/dbraw/zinc/20/04/35/145200435.db2.gz MQNBGWQCAGTPSE-DOTOQJQBSA-N 2 2 311.433 2.388 10 0 DEAELP C[NH+]1CCC[C@H]2C[N@H+](Cc3c[nH]nc3-c3cccnc3)CC[C@H]21 ZINC000252802503 145200437 /nfs/dbraw/zinc/20/04/37/145200437.db2.gz MQNBGWQCAGTPSE-DOTOQJQBSA-N 2 2 311.433 2.388 10 0 DEAELP C[NH+]1CCC[C@H]2C[N@@H+](Cc3c[nH]nc3-c3cccnc3)CC[C@H]21 ZINC000252802503 145200440 /nfs/dbraw/zinc/20/04/40/145200440.db2.gz MQNBGWQCAGTPSE-DOTOQJQBSA-N 2 2 311.433 2.388 10 0 DEAELP COc1ccc(C)cc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261925049 145242923 /nfs/dbraw/zinc/24/29/23/145242923.db2.gz ZDWYQLVYRFYWNC-XJKSGUPXSA-N 2 2 319.449 2.390 10 0 DEAELP COc1ccc(C)cc1NC(=O)[C@H](C)[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261925049 145242924 /nfs/dbraw/zinc/24/29/24/145242924.db2.gz ZDWYQLVYRFYWNC-XJKSGUPXSA-N 2 2 319.449 2.390 10 0 DEAELP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)C1 ZINC000261962798 145248034 /nfs/dbraw/zinc/24/80/34/145248034.db2.gz PSBSHNKOCUNRSM-XDNAFOTISA-N 3 2 323.525 2.244 10 0 DEAELP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)C1 ZINC000261962798 145248035 /nfs/dbraw/zinc/24/80/35/145248035.db2.gz PSBSHNKOCUNRSM-XDNAFOTISA-N 3 2 323.525 2.244 10 0 DEAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000262059098 145258103 /nfs/dbraw/zinc/25/81/03/145258103.db2.gz QYJPBRPALSFRRC-DOTOQJQBSA-N 3 2 322.522 2.205 10 0 DEAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000262059098 145258105 /nfs/dbraw/zinc/25/81/05/145258105.db2.gz QYJPBRPALSFRRC-DOTOQJQBSA-N 3 2 322.522 2.205 10 0 DEAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000262059098 145258108 /nfs/dbraw/zinc/25/81/08/145258108.db2.gz QYJPBRPALSFRRC-DOTOQJQBSA-N 3 2 322.522 2.205 10 0 DEAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000262059098 145258110 /nfs/dbraw/zinc/25/81/10/145258110.db2.gz QYJPBRPALSFRRC-DOTOQJQBSA-N 3 2 322.522 2.205 10 0 DEAELP C[C@H](NC(=O)C[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1)c1ccc(F)cc1 ZINC000262542373 145291277 /nfs/dbraw/zinc/29/12/77/145291277.db2.gz RGUBAVOLXIBAHT-WFASDCNBSA-N 2 2 307.413 2.062 10 0 DEAELP C[C@H](NC(=O)C[N@H+]1CC[C@H]([NH3+])C(C)(C)C1)c1ccc(F)cc1 ZINC000262542373 145291279 /nfs/dbraw/zinc/29/12/79/145291279.db2.gz RGUBAVOLXIBAHT-WFASDCNBSA-N 2 2 307.413 2.062 10 0 DEAELP c1nc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)oc1C1CC1 ZINC000371186490 148070332 /nfs/dbraw/zinc/07/03/32/148070332.db2.gz XZRSEYLDEVNADY-UHFFFAOYSA-N 2 2 319.449 2.486 10 0 DEAELP C[C@@H](CC1CC1)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000112719602 401756407 /nfs/dbraw/zinc/75/64/07/401756407.db2.gz GTVNXARGHARVCC-AWEZNQCLSA-N 2 2 322.497 2.033 10 0 DEAELP C[N@@H+]1CCC[C@H]1C[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000130034347 401816095 /nfs/dbraw/zinc/81/60/95/401816095.db2.gz ASNVWYRAHLZSNY-CABCVRRESA-N 2 2 311.470 2.317 10 0 DEAELP C[N@H+]1CCC[C@H]1C[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000130034347 401816098 /nfs/dbraw/zinc/81/60/98/401816098.db2.gz ASNVWYRAHLZSNY-CABCVRRESA-N 2 2 311.470 2.317 10 0 DEAELP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000118782715 401907316 /nfs/dbraw/zinc/90/73/16/401907316.db2.gz WBIWUCGEKVRKKL-INIZCTEOSA-N 2 2 304.438 2.310 10 0 DEAELP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000118782715 401907319 /nfs/dbraw/zinc/90/73/19/401907319.db2.gz WBIWUCGEKVRKKL-INIZCTEOSA-N 2 2 304.438 2.310 10 0 DEAELP CNc1cc(N2CCC[C@H]2CNc2[nH]c3ccccc3[nH+]2)nc[nH+]1 ZINC000134945884 401921753 /nfs/dbraw/zinc/92/17/53/401921753.db2.gz RJIOEMBAWDKSBC-LBPRGKRZSA-N 2 2 323.404 2.476 10 0 DEAELP CNc1cc(N2CCC[C@H]2CNc2[nH]c3ccccc3[nH+]2)[nH+]cn1 ZINC000134945884 401921754 /nfs/dbraw/zinc/92/17/54/401921754.db2.gz RJIOEMBAWDKSBC-LBPRGKRZSA-N 2 2 323.404 2.476 10 0 DEAELP CCOC(=O)c1c[nH+]c2c(C)cc(C)cc2c1N1CC[NH2+]CC1 ZINC000053994920 402061013 /nfs/dbraw/zinc/06/10/13/402061013.db2.gz YAXPINDJZVXJEU-UHFFFAOYSA-N 2 2 313.401 2.438 10 0 DEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)NC2CCCC2)C1 ZINC000105896564 402210588 /nfs/dbraw/zinc/21/05/88/402210588.db2.gz QYZSLRVMLKBOHN-HNNXBMFYSA-N 2 2 304.438 2.141 10 0 DEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)NC2CCCC2)C1 ZINC000105896564 402210589 /nfs/dbraw/zinc/21/05/89/402210589.db2.gz QYZSLRVMLKBOHN-HNNXBMFYSA-N 2 2 304.438 2.141 10 0 DEAELP ClC(Cl)(Cl)CC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000184576930 402278222 /nfs/dbraw/zinc/27/82/22/402278222.db2.gz PSRVTJNHZXKRSM-LLVKDONJSA-N 2 2 315.672 2.401 10 0 DEAELP ClC(Cl)(Cl)CC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000184576930 402278226 /nfs/dbraw/zinc/27/82/26/402278226.db2.gz PSRVTJNHZXKRSM-LLVKDONJSA-N 2 2 315.672 2.401 10 0 DEAELP CCO[C@H]1C[C@H]([NH2+]CCCNc2cccc[nH+]2)C12CCOCC2 ZINC000186376389 402426314 /nfs/dbraw/zinc/42/63/14/402426314.db2.gz DRLPCNUVQIVOQB-HOTGVXAUSA-N 2 2 319.449 2.447 10 0 DEAELP CCC[C@H](C(=O)NCc1ccc(N(CC)CC)[nH+]c1)[NH+](C)C ZINC000161612640 402393554 /nfs/dbraw/zinc/39/35/54/402393554.db2.gz YFCPRPFVNDOXNE-OAHLLOKOSA-N 2 2 306.454 2.274 10 0 DEAELP COc1ccnc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1OC ZINC000190641245 402615468 /nfs/dbraw/zinc/61/54/68/402615468.db2.gz BFKQNWVRMPFPGP-AWEZNQCLSA-N 2 2 316.405 2.268 10 0 DEAELP COc1ccnc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1OC ZINC000190641245 402615472 /nfs/dbraw/zinc/61/54/72/402615472.db2.gz BFKQNWVRMPFPGP-AWEZNQCLSA-N 2 2 316.405 2.268 10 0 DEAELP CC(C)Cn1ncnc1C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000182755334 402714277 /nfs/dbraw/zinc/71/42/77/402714277.db2.gz SGIGNOXTEAGWKX-UHFFFAOYSA-N 2 2 316.453 2.122 10 0 DEAELP CCC[C@H](C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000172751032 402673796 /nfs/dbraw/zinc/67/37/96/402673796.db2.gz HRQWIQYEGMGNSE-INIZCTEOSA-N 2 2 309.498 2.489 10 0 DEAELP C[C@H]([NH2+]CCN1CCOC[C@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000192791853 402750559 /nfs/dbraw/zinc/75/05/59/402750559.db2.gz FQVBFUCESMKIIV-CVEARBPZSA-N 2 2 314.433 2.244 10 0 DEAELP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263304276 402756464 /nfs/dbraw/zinc/75/64/64/402756464.db2.gz XOWDTJPYYSUREB-OLZOCXBDSA-N 2 2 317.424 2.000 10 0 DEAELP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263304276 402756465 /nfs/dbraw/zinc/75/64/65/402756465.db2.gz XOWDTJPYYSUREB-OLZOCXBDSA-N 2 2 317.424 2.000 10 0 DEAELP Cc1ccc(NCCCNC(=O)c2c[nH+]ccc2N(C)C)[nH+]c1 ZINC000183598121 402779969 /nfs/dbraw/zinc/77/99/69/402779969.db2.gz IXEIHOJTYBFYDV-UHFFFAOYSA-N 2 2 313.405 2.083 10 0 DEAELP CCCC[N@H+](C)CC1CC[NH+](Cc2nnnn2C(C)C)CC1 ZINC000195432011 402845092 /nfs/dbraw/zinc/84/50/92/402845092.db2.gz UFVOMSMAPVPRFH-UHFFFAOYSA-N 2 2 308.474 2.198 10 0 DEAELP CCCC[N@@H+](C)CC1CC[NH+](Cc2nnnn2C(C)C)CC1 ZINC000195432011 402845094 /nfs/dbraw/zinc/84/50/94/402845094.db2.gz UFVOMSMAPVPRFH-UHFFFAOYSA-N 2 2 308.474 2.198 10 0 DEAELP CCO[C@@H]1C[C@@H]([NH2+]CC[NH+]2CCC(C)CC2)C12CCOCC2 ZINC000186246074 286281514 /nfs/dbraw/zinc/28/15/14/286281514.db2.gz ZTAGBYKCDXHOBC-IAGOWNOFSA-N 2 2 310.482 2.282 10 0 DEAELP c1c[nH+]c(C2CC[NH+](Cc3cnn(-c4ccccc4)n3)CC2)[nH]1 ZINC000266721780 402986138 /nfs/dbraw/zinc/98/61/38/402986138.db2.gz HURDXAWHOPMUDA-UHFFFAOYSA-N 2 2 308.389 2.370 10 0 DEAELP Cc1nocc1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000293229482 403420630 /nfs/dbraw/zinc/42/06/30/403420630.db2.gz KNRBBBLRAPFNIP-SFHVURJKSA-N 2 2 315.417 2.364 10 0 DEAELP Cc1nocc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000293229482 403420633 /nfs/dbraw/zinc/42/06/33/403420633.db2.gz KNRBBBLRAPFNIP-SFHVURJKSA-N 2 2 315.417 2.364 10 0 DEAELP Cc1cc(N2CC[N@@H+]3CCOC[C@H]3C2)c2cccc(F)c2[nH+]1 ZINC000364884532 404541770 /nfs/dbraw/zinc/54/17/70/404541770.db2.gz QSBFYUQPQLHWSM-CYBMUJFWSA-N 2 2 301.365 2.203 10 0 DEAELP Cc1cc(N2CC[N@H+]3CCOC[C@H]3C2)c2cccc(F)c2[nH+]1 ZINC000364884532 404541779 /nfs/dbraw/zinc/54/17/79/404541779.db2.gz QSBFYUQPQLHWSM-CYBMUJFWSA-N 2 2 301.365 2.203 10 0 DEAELP Cn1ncc(Cl)c1CNc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000351551362 404638607 /nfs/dbraw/zinc/63/86/07/404638607.db2.gz VVADPJHXSJYNOY-UHFFFAOYSA-N 2 2 302.769 2.325 10 0 DEAELP c1cc(OC[C@H]2CCCO2)ccc1C[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000415065292 404799304 /nfs/dbraw/zinc/79/93/04/404799304.db2.gz FVDMXKUJSRFIPP-SJLPKXTDSA-N 2 2 304.434 2.476 10 0 DEAELP Cc1nnc([C@H](C)[N@@H+]2CC[C@H](n3c[nH+]c4c3CCCC4)C2)[nH]1 ZINC000408466852 405213145 /nfs/dbraw/zinc/21/31/45/405213145.db2.gz MRAHYLFGMNWVFL-AAEUAGOBSA-N 2 2 300.410 2.196 10 0 DEAELP Cc1nnc([C@H](C)[N@H+]2CC[C@H](n3c[nH+]c4c3CCCC4)C2)[nH]1 ZINC000408466852 405213148 /nfs/dbraw/zinc/21/31/48/405213148.db2.gz MRAHYLFGMNWVFL-AAEUAGOBSA-N 2 2 300.410 2.196 10 0 DEAELP Cc1cc[nH+]cc1CCC[NH2+][C@H]1CCN(C(=O)c2ccncc2)C1 ZINC000368014543 405215553 /nfs/dbraw/zinc/21/55/53/405215553.db2.gz GMKCBXFUJVNHSA-SFHVURJKSA-N 2 2 324.428 2.222 10 0 DEAELP c1[nH+]c2n(c1C[NH2+]Cc1cc(-c3cccnc3)n[nH]1)CCCC2 ZINC000556408895 405480322 /nfs/dbraw/zinc/48/03/22/405480322.db2.gz IXJFNZHWXPPXCX-UHFFFAOYSA-N 2 2 308.389 2.294 10 0 DEAELP COc1nsc(C[NH2+][C@H](C)CC[NH+](C)C)c1Br ZINC000638468923 405490177 /nfs/dbraw/zinc/49/01/77/405490177.db2.gz ZKZVMEFQSGJEHB-MRVPVSSYSA-N 2 2 322.272 2.344 10 0 DEAELP C(C[NH+]1CCOCC1)N1CCC([NH2+]CC2CCCCCC2)CC1 ZINC000449486025 405580038 /nfs/dbraw/zinc/58/00/38/405580038.db2.gz PVRZKWRGPGUVPQ-UHFFFAOYSA-N 2 2 323.525 2.343 10 0 DEAELP C(C[NH+]1CCC([NH2+]CC2CCCCCC2)CC1)N1CCOCC1 ZINC000449486025 405580045 /nfs/dbraw/zinc/58/00/45/405580045.db2.gz PVRZKWRGPGUVPQ-UHFFFAOYSA-N 2 2 323.525 2.343 10 0 DEAELP C(c1noc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)n1)C1CC1 ZINC000639451855 406095221 /nfs/dbraw/zinc/09/52/21/406095221.db2.gz ILQXEANBPNFGLT-UHFFFAOYSA-N 2 2 304.438 2.330 10 0 DEAELP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@H+](C)CCN2Cc2ccccc2)CS1 ZINC000639327186 406046598 /nfs/dbraw/zinc/04/65/98/406046598.db2.gz LMPNHJSMJAYARN-BPQIPLTHSA-N 2 2 319.518 2.286 10 0 DEAELP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@@H+](C)CCN2Cc2ccccc2)CS1 ZINC000639327186 406046600 /nfs/dbraw/zinc/04/66/00/406046600.db2.gz LMPNHJSMJAYARN-BPQIPLTHSA-N 2 2 319.518 2.286 10 0 DEAELP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[N@H+](C)CCN2Cc2ccccc2)CS1 ZINC000639327187 406046660 /nfs/dbraw/zinc/04/66/60/406046660.db2.gz LMPNHJSMJAYARN-KBAYOESNSA-N 2 2 319.518 2.286 10 0 DEAELP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[N@@H+](C)CCN2Cc2ccccc2)CS1 ZINC000639327187 406046665 /nfs/dbraw/zinc/04/66/65/406046665.db2.gz LMPNHJSMJAYARN-KBAYOESNSA-N 2 2 319.518 2.286 10 0 DEAELP c1nc(N2CCC[C@H]3C[NH2+]CC[C@H]32)cc(N2CCCCC2)[nH+]1 ZINC000634812293 406296132 /nfs/dbraw/zinc/29/61/32/406296132.db2.gz DZTUFFLBVCZIOE-LSDHHAIUSA-N 2 2 301.438 2.045 10 0 DEAELP c1nc(N2CCCCC2)cc(N2CCC[C@H]3C[NH2+]CC[C@H]32)[nH+]1 ZINC000634812293 406296135 /nfs/dbraw/zinc/29/61/35/406296135.db2.gz DZTUFFLBVCZIOE-LSDHHAIUSA-N 2 2 301.438 2.045 10 0 DEAELP C([NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1)C1([C@H]2CCCCO2)CCC1 ZINC000635012521 406399940 /nfs/dbraw/zinc/39/99/40/406399940.db2.gz MVEWJYNALBJHKG-ZACQAIPSSA-N 2 2 308.466 2.082 10 0 DEAELP C[N@H+]([C@@H]1CCS(=O)(=O)C1)C1(C[NH3+])CC(C)(C)CC(C)(C)C1 ZINC000129756066 196073261 /nfs/dbraw/zinc/07/32/61/196073261.db2.gz RJESFJLHPOCSJW-CYBMUJFWSA-N 2 2 316.511 2.039 10 0 DEAELP C[N@@H+]([C@@H]1CCS(=O)(=O)C1)C1(C[NH3+])CC(C)(C)CC(C)(C)C1 ZINC000129756066 196073264 /nfs/dbraw/zinc/07/32/64/196073264.db2.gz RJESFJLHPOCSJW-CYBMUJFWSA-N 2 2 316.511 2.039 10 0 DEAELP CC(C)c1nc(C[N@@H+]2CC[C@H](N3CCC([NH3+])CC3)C2)cs1 ZINC000130821070 196113070 /nfs/dbraw/zinc/11/30/70/196113070.db2.gz NIBKIIGQDVDXEK-HNNXBMFYSA-N 2 2 308.495 2.264 10 0 DEAELP CC(C)c1nc(C[N@H+]2CC[C@H](N3CCC([NH3+])CC3)C2)cs1 ZINC000130821070 196113071 /nfs/dbraw/zinc/11/30/71/196113071.db2.gz NIBKIIGQDVDXEK-HNNXBMFYSA-N 2 2 308.495 2.264 10 0 DEAELP CC(C)(C)[C@@H]([NH3+])CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000136866327 196555022 /nfs/dbraw/zinc/55/50/22/196555022.db2.gz MUIMEXNIEPKCRE-AWEZNQCLSA-N 2 2 309.479 2.156 10 0 DEAELP COC(=O)c1coc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)c1 ZINC000105876812 424849710 /nfs/dbraw/zinc/84/97/10/424849710.db2.gz KVCYAMIYNUAFOL-UHFFFAOYSA-N 2 2 317.389 2.254 10 0 DEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N(C)c2ccccc2)[C@H](C)C1 ZINC000081096294 267377960 /nfs/dbraw/zinc/37/79/60/267377960.db2.gz LFADHMHNYADZQF-WBVHZDCISA-N 2 2 303.450 2.312 10 0 DEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N(C)c2ccccc2)[C@H](C)C1 ZINC000081096294 267377962 /nfs/dbraw/zinc/37/79/62/267377962.db2.gz LFADHMHNYADZQF-WBVHZDCISA-N 2 2 303.450 2.312 10 0 DEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N(C)c2ccccc2)[C@H](C)C1 ZINC000081096294 267377965 /nfs/dbraw/zinc/37/79/65/267377965.db2.gz LFADHMHNYADZQF-WBVHZDCISA-N 2 2 303.450 2.312 10 0 DEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N(C)c2ccccc2)[C@H](C)C1 ZINC000081096294 267377966 /nfs/dbraw/zinc/37/79/66/267377966.db2.gz LFADHMHNYADZQF-WBVHZDCISA-N 2 2 303.450 2.312 10 0 DEAELP C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000154510945 274207122 /nfs/dbraw/zinc/20/71/22/274207122.db2.gz JFYHTGGJAULTEK-RYUDHWBXSA-N 2 2 310.829 2.136 10 0 DEAELP C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000154510945 274207123 /nfs/dbraw/zinc/20/71/23/274207123.db2.gz JFYHTGGJAULTEK-RYUDHWBXSA-N 2 2 310.829 2.136 10 0 DEAELP C[C@H](C(=O)N1CCSc2ccccc21)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261689673 289296711 /nfs/dbraw/zinc/29/67/11/289296711.db2.gz HJYOAAMFTLFCTQ-CXAGYDPISA-N 2 2 319.474 2.185 10 0 DEAELP C[C@H](C(=O)N1CCSc2ccccc21)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261689673 289296715 /nfs/dbraw/zinc/29/67/15/289296715.db2.gz HJYOAAMFTLFCTQ-CXAGYDPISA-N 2 2 319.474 2.185 10 0 DEAELP Cc1nnc([C@@H](C)[N@@H+]2CC[C@H](n3c[nH+]c4c3CCCC4)C2)[nH]1 ZINC000408466858 293358394 /nfs/dbraw/zinc/35/83/94/293358394.db2.gz MRAHYLFGMNWVFL-YPMHNXCESA-N 2 2 300.410 2.196 10 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/nfs/dbraw/zinc/21/56/52/145215652.db2.gz GYAMGVUXZOKEMB-QGZVFWFLSA-N 2 2 307.401 2.184 10 0 DEAELP C[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261790743 145226805 /nfs/dbraw/zinc/22/68/05/145226805.db2.gz NMMKSLSHCNJYTJ-WFASDCNBSA-N 2 2 323.868 2.404 10 0 DEAELP C[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261790743 145226807 /nfs/dbraw/zinc/22/68/07/145226807.db2.gz NMMKSLSHCNJYTJ-WFASDCNBSA-N 2 2 323.868 2.404 10 0 DEAELP Cc1ccc2[nH+]cc(CN3CC[NH2+]C[C@@H]3c3cccnc3)n2c1 ZINC000261796314 145227362 /nfs/dbraw/zinc/22/73/62/145227362.db2.gz VLXBZFDECXWROV-QGZVFWFLSA-N 2 2 307.401 2.184 10 0 DEAELP CCc1noc(CC)c1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000261884040 145237941 /nfs/dbraw/zinc/23/79/41/145237941.db2.gz FROMTNRFCABANZ-WQVCFCJDSA-N 2 2 307.438 2.046 10 0 DEAELP COc1ccc(C[N@H+](CC[NH3+])CCc2ccccc2)cc1O ZINC000261999360 145252368 /nfs/dbraw/zinc/25/23/68/145252368.db2.gz LEAMTEWCALWGEA-UHFFFAOYSA-N 2 2 300.402 2.404 10 0 DEAELP COc1ccc(C[N@@H+](CC[NH3+])CCc2ccccc2)cc1O ZINC000261999360 145252369 /nfs/dbraw/zinc/25/23/69/145252369.db2.gz LEAMTEWCALWGEA-UHFFFAOYSA-N 2 2 300.402 2.404 10 0 DEAELP C[C@]1(C[NH+]2CCN(C(=O)CCC3CCCCC3)CC2)CC[NH2+]C1 ZINC000262002419 145252386 /nfs/dbraw/zinc/25/23/86/145252386.db2.gz LKLPPTOINREERJ-IBGZPJMESA-N 2 2 321.509 2.491 10 0 DEAELP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cc(Cl)ccc1OC1CCCC1 ZINC000262067602 145259067 /nfs/dbraw/zinc/25/90/67/145259067.db2.gz BKHTYEVVRWDOGE-XJKSGUPXSA-N 2 2 324.852 2.331 10 0 DEAELP CCO[C@H]1C[C@H]([N@H+](C)Cc2noc(C[NH3+])n2)C12CCCCC2 ZINC000262277366 145272883 /nfs/dbraw/zinc/27/28/83/145272883.db2.gz UAVDLSJXMRPMKA-STQMWFEESA-N 2 2 308.426 2.088 10 0 DEAELP CCO[C@H]1C[C@H]([N@@H+](C)Cc2noc(C[NH3+])n2)C12CCCCC2 ZINC000262277366 145272885 /nfs/dbraw/zinc/27/28/85/145272885.db2.gz UAVDLSJXMRPMKA-STQMWFEESA-N 2 2 308.426 2.088 10 0 DEAELP C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000262518946 145289797 /nfs/dbraw/zinc/28/97/97/145289797.db2.gz NWQPFCDFRQAABU-GDBMZVCRSA-N 2 2 303.450 2.265 10 0 DEAELP C[C@H](c1ccccc1)N(C)C(=O)C[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000262518946 145289800 /nfs/dbraw/zinc/28/98/00/145289800.db2.gz NWQPFCDFRQAABU-GDBMZVCRSA-N 2 2 303.450 2.265 10 0 DEAELP C[C@@H](NC(=O)C[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1)c1ccc(F)cc1 ZINC000262542351 145291290 /nfs/dbraw/zinc/29/12/90/145291290.db2.gz RGUBAVOLXIBAHT-DOMZBBRYSA-N 2 2 307.413 2.062 10 0 DEAELP C[C@@H](NC(=O)C[N@H+]1CC[C@H]([NH3+])C(C)(C)C1)c1ccc(F)cc1 ZINC000262542351 145291293 /nfs/dbraw/zinc/29/12/93/145291293.db2.gz RGUBAVOLXIBAHT-DOMZBBRYSA-N 2 2 307.413 2.062 10 0 DEAELP COc1ccc(C[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)c(OC)c1OC ZINC000262557387 145292900 /nfs/dbraw/zinc/29/29/00/145292900.db2.gz UMLHCLOGPAWTPU-AWEZNQCLSA-N 2 2 308.422 2.272 10 0 DEAELP COc1ccc(C[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)c(OC)c1OC ZINC000262557387 145292901 /nfs/dbraw/zinc/29/29/01/145292901.db2.gz UMLHCLOGPAWTPU-AWEZNQCLSA-N 2 2 308.422 2.272 10 0 DEAELP C[C@@H](C(=O)NCc1ccc[nH+]c1N(C)C)[C@@H]([NH3+])c1ccccc1 ZINC000262661904 145298629 /nfs/dbraw/zinc/29/86/29/145298629.db2.gz GLVZWNJSKLBFAM-CZUORRHYSA-N 2 2 312.417 2.100 10 0 DEAELP COc1cccc([C@@H](C)[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000079464403 401873289 /nfs/dbraw/zinc/87/32/89/401873289.db2.gz JRFGCHLHSHTJFO-HZPDHXFCSA-N 2 2 304.434 2.410 10 0 DEAELP COc1cccc([C@@H](C)[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000079464403 401873291 /nfs/dbraw/zinc/87/32/91/401873291.db2.gz JRFGCHLHSHTJFO-HZPDHXFCSA-N 2 2 304.434 2.410 10 0 DEAELP CCC[C@@H](C(=O)NCc1cc[nH+]c(N2CCCCC2)c1)[NH+](C)C ZINC000136515451 401969128 /nfs/dbraw/zinc/96/91/28/401969128.db2.gz VNOWYOCVIRAYCZ-INIZCTEOSA-N 2 2 318.465 2.418 10 0 DEAELP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc(F)cc1N(C)C ZINC000151320812 402029762 /nfs/dbraw/zinc/02/97/62/402029762.db2.gz LDOSMTFVIZBUHL-ZBFHGGJFSA-N 2 2 323.456 2.389 10 0 DEAELP Cc1nc[nH]c1C[N@H+](CCCn1cc[nH+]c1)Cc1cccnc1 ZINC000055182527 402077414 /nfs/dbraw/zinc/07/74/14/402077414.db2.gz RUGSDQDYMWZHDL-UHFFFAOYSA-N 2 2 310.405 2.402 10 0 DEAELP Cc1nc[nH]c1C[N@@H+](CCCn1cc[nH+]c1)Cc1cccnc1 ZINC000055182527 402077417 /nfs/dbraw/zinc/07/74/17/402077417.db2.gz RUGSDQDYMWZHDL-UHFFFAOYSA-N 2 2 310.405 2.402 10 0 DEAELP C[C@H]1C[C@H]([NH+](C)CC(=O)N(C)Cc2ccccc2F)CC[N@@H+]1C ZINC000123311127 402120845 /nfs/dbraw/zinc/12/08/45/402120845.db2.gz MATFSKGNDDKTQQ-GOEBONIOSA-N 2 2 321.440 2.199 10 0 DEAELP C[C@H]1C[C@H]([NH+](C)CC(=O)N(C)Cc2ccccc2F)CC[N@H+]1C ZINC000123311127 402120847 /nfs/dbraw/zinc/12/08/47/402120847.db2.gz MATFSKGNDDKTQQ-GOEBONIOSA-N 2 2 321.440 2.199 10 0 DEAELP C[C@H]1C[C@H]([N@H+](C)CC(=O)N(C)Cc2ccccc2F)CC[NH+]1C ZINC000123311127 402120849 /nfs/dbraw/zinc/12/08/49/402120849.db2.gz MATFSKGNDDKTQQ-GOEBONIOSA-N 2 2 321.440 2.199 10 0 DEAELP C[C@H]1C[C@H]([N@@H+](C)CC(=O)N(C)Cc2ccccc2F)CC[NH+]1C ZINC000123311127 402120852 /nfs/dbraw/zinc/12/08/52/402120852.db2.gz MATFSKGNDDKTQQ-GOEBONIOSA-N 2 2 321.440 2.199 10 0 DEAELP C[C@H]1Cc2ccccc2N1C(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123474883 402129781 /nfs/dbraw/zinc/12/97/81/402129781.db2.gz BCNAIDVRHUTDLK-HLLBOEOZSA-N 2 2 315.461 2.379 10 0 DEAELP C[C@H]1Cc2ccccc2N1C(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123474883 402129782 /nfs/dbraw/zinc/12/97/82/402129782.db2.gz BCNAIDVRHUTDLK-HLLBOEOZSA-N 2 2 315.461 2.379 10 0 DEAELP C[C@H]1Cc2ccccc2N1C(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123474883 402129784 /nfs/dbraw/zinc/12/97/84/402129784.db2.gz BCNAIDVRHUTDLK-HLLBOEOZSA-N 2 2 315.461 2.379 10 0 DEAELP C[C@H]1Cc2ccccc2N1C(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123474883 402129786 /nfs/dbraw/zinc/12/97/86/402129786.db2.gz BCNAIDVRHUTDLK-HLLBOEOZSA-N 2 2 315.461 2.379 10 0 DEAELP Cc1ccsc1CNC(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123524199 402132493 /nfs/dbraw/zinc/13/24/93/402132493.db2.gz FRDCKYMKYYNBCD-KGLIPLIRSA-N 2 2 309.479 2.087 10 0 DEAELP Cc1ccsc1CNC(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123524199 402132496 /nfs/dbraw/zinc/13/24/96/402132496.db2.gz FRDCKYMKYYNBCD-KGLIPLIRSA-N 2 2 309.479 2.087 10 0 DEAELP Cc1ccsc1CNC(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123524199 402132500 /nfs/dbraw/zinc/13/25/00/402132500.db2.gz FRDCKYMKYYNBCD-KGLIPLIRSA-N 2 2 309.479 2.087 10 0 DEAELP Cc1ccsc1CNC(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123524199 402132502 /nfs/dbraw/zinc/13/25/02/402132502.db2.gz FRDCKYMKYYNBCD-KGLIPLIRSA-N 2 2 309.479 2.087 10 0 DEAELP C[C@H]([NH2+]C[C@]1(CCO)CCOC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000125698805 402245232 /nfs/dbraw/zinc/24/52/32/402245232.db2.gz MKTBMIUBWFTXKM-YJBOKZPZSA-N 2 2 315.417 2.312 10 0 DEAELP C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000237433075 402408414 /nfs/dbraw/zinc/40/84/14/402408414.db2.gz KONOIYVJHZRULD-CZUORRHYSA-N 2 2 321.852 2.297 10 0 DEAELP CC(C)N1CCC[C@@H]([N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)C1=O ZINC000177698540 402427646 /nfs/dbraw/zinc/42/76/46/402427646.db2.gz QYUYOEQUDYMLHW-HZPDHXFCSA-N 2 2 316.449 2.215 10 0 DEAELP CC(C)c1nc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)no1 ZINC000163332738 402447192 /nfs/dbraw/zinc/44/71/92/402447192.db2.gz PRXQAIVADZHOBS-CYBMUJFWSA-N 2 2 303.410 2.381 10 0 DEAELP CC(C)c1nc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)no1 ZINC000163332738 402447195 /nfs/dbraw/zinc/44/71/95/402447195.db2.gz PRXQAIVADZHOBS-CYBMUJFWSA-N 2 2 303.410 2.381 10 0 DEAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000163377444 402448154 /nfs/dbraw/zinc/44/81/54/402448154.db2.gz QVFODUDQHUCQLX-GOEBONIOSA-N 2 2 320.433 2.219 10 0 DEAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000163377444 402448157 /nfs/dbraw/zinc/44/81/57/402448157.db2.gz QVFODUDQHUCQLX-GOEBONIOSA-N 2 2 320.433 2.219 10 0 DEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N(C)C2CCCCC2)[C@@H](C)C1 ZINC000246406582 402529478 /nfs/dbraw/zinc/52/94/78/402529478.db2.gz AVJCUJHWLPKEKA-RDJZCZTQSA-N 2 2 309.498 2.440 10 0 DEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N(C)C2CCCCC2)[C@@H](C)C1 ZINC000246406582 402529479 /nfs/dbraw/zinc/52/94/79/402529479.db2.gz AVJCUJHWLPKEKA-RDJZCZTQSA-N 2 2 309.498 2.440 10 0 DEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N(C)C2CCCCC2)[C@@H](C)C1 ZINC000246406582 402529480 /nfs/dbraw/zinc/52/94/80/402529480.db2.gz AVJCUJHWLPKEKA-RDJZCZTQSA-N 2 2 309.498 2.440 10 0 DEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N(C)C2CCCCC2)[C@@H](C)C1 ZINC000246406582 402529481 /nfs/dbraw/zinc/52/94/81/402529481.db2.gz AVJCUJHWLPKEKA-RDJZCZTQSA-N 2 2 309.498 2.440 10 0 DEAELP C[C@@H]1C[N@@H+](C2CC[NH+](C[C@](C)(O)c3ccccc3)CC2)CCO1 ZINC000171647839 402605741 /nfs/dbraw/zinc/60/57/41/402605741.db2.gz IALSCYWQBDDHBA-APWZRJJASA-N 2 2 318.461 2.079 10 0 DEAELP C[C@@H]1C[N@H+](C2CC[NH+](C[C@](C)(O)c3ccccc3)CC2)CCO1 ZINC000171647839 402605745 /nfs/dbraw/zinc/60/57/45/402605745.db2.gz IALSCYWQBDDHBA-APWZRJJASA-N 2 2 318.461 2.079 10 0 DEAELP CCS(=O)(=O)CCCCC[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000249072821 402619526 /nfs/dbraw/zinc/61/95/26/402619526.db2.gz LEVGCPGNXIHVDX-LSDHHAIUSA-N 2 2 304.500 2.006 10 0 DEAELP CCS(=O)(=O)CCCCC[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000249072821 402619527 /nfs/dbraw/zinc/61/95/27/402619527.db2.gz LEVGCPGNXIHVDX-LSDHHAIUSA-N 2 2 304.500 2.006 10 0 DEAELP CCS(=O)(=O)CCCCC[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000249072821 402619529 /nfs/dbraw/zinc/61/95/29/402619529.db2.gz LEVGCPGNXIHVDX-LSDHHAIUSA-N 2 2 304.500 2.006 10 0 DEAELP CCS(=O)(=O)CCCCC[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000249072821 402619532 /nfs/dbraw/zinc/61/95/32/402619532.db2.gz LEVGCPGNXIHVDX-LSDHHAIUSA-N 2 2 304.500 2.006 10 0 DEAELP c1c[nH+]c(N2CC[NH+](Cc3ccc(-c4ccccn4)nc3)CC2)[nH]1 ZINC000566416839 292237280 /nfs/dbraw/zinc/23/72/80/292237280.db2.gz PLBWFZZLSJHVBG-UHFFFAOYSA-N 2 2 320.400 2.189 10 0 DEAELP O[C@H](Cc1ccccc1)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249866015 402643077 /nfs/dbraw/zinc/64/30/77/402643077.db2.gz HYJAURCAAHAANF-ZWKOTPCHSA-N 2 2 311.429 2.419 10 0 DEAELP O[C@H](Cc1ccccc1)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249866015 402643080 /nfs/dbraw/zinc/64/30/80/402643080.db2.gz HYJAURCAAHAANF-ZWKOTPCHSA-N 2 2 311.429 2.419 10 0 DEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000173446926 402697719 /nfs/dbraw/zinc/69/77/19/402697719.db2.gz XOYJZWCOFFRHJN-UHFFFAOYSA-N 2 2 321.469 2.022 10 0 DEAELP CC[N@@H+]1CCCN(C(=O)Nc2ccc3[nH+]c(C)cn3c2)CC1 ZINC000271485176 402875581 /nfs/dbraw/zinc/87/55/81/402875581.db2.gz BKIUGNYAPSUABB-UHFFFAOYSA-N 2 2 301.394 2.202 10 0 DEAELP CC[N@H+]1CCCN(C(=O)Nc2ccc3[nH+]c(C)cn3c2)CC1 ZINC000271485176 402875582 /nfs/dbraw/zinc/87/55/82/402875582.db2.gz BKIUGNYAPSUABB-UHFFFAOYSA-N 2 2 301.394 2.202 10 0 DEAELP Cn1c[nH+]cc1[C@@H]1C[C@@H]([NH2+]Cc2cnn3ccccc23)CCO1 ZINC000275715362 403118155 /nfs/dbraw/zinc/11/81/55/403118155.db2.gz YQLBOJRWIOCOCZ-YOEHRIQHSA-N 2 2 311.389 2.078 10 0 DEAELP COc1ccc([C@H](C)C[N@H+](CCO)C2CC[NH+](C)CC2)cc1 ZINC000183377885 286366881 /nfs/dbraw/zinc/36/68/81/286366881.db2.gz ABACXDXFHQHBNG-OAHLLOKOSA-N 2 2 306.450 2.187 10 0 DEAELP COc1ccc([C@H](C)C[N@@H+](CCO)C2CC[NH+](C)CC2)cc1 ZINC000183377885 286366883 /nfs/dbraw/zinc/36/68/83/286366883.db2.gz ABACXDXFHQHBNG-OAHLLOKOSA-N 2 2 306.450 2.187 10 0 DEAELP COc1ccc(C[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)cc1Br ZINC000343915964 403790703 /nfs/dbraw/zinc/79/07/03/403790703.db2.gz OWZBPGCPDSUNOY-ZWNOBZJWSA-N 2 2 313.239 2.497 10 0 DEAELP COc1ccc(C[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)cc1Br ZINC000343915964 403790706 /nfs/dbraw/zinc/79/07/06/403790706.db2.gz OWZBPGCPDSUNOY-ZWNOBZJWSA-N 2 2 313.239 2.497 10 0 DEAELP C[C@H]1C[N@H+](Cc2ncc(C3CC3)o2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370149759 404349484 /nfs/dbraw/zinc/34/94/84/404349484.db2.gz POUVJGJPQXWDOI-HOCLYGCPSA-N 2 2 318.465 2.010 10 0 DEAELP C[C@H]1C[N@@H+](Cc2ncc(C3CC3)o2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370149759 404349488 /nfs/dbraw/zinc/34/94/88/404349488.db2.gz POUVJGJPQXWDOI-HOCLYGCPSA-N 2 2 318.465 2.010 10 0 DEAELP c1cc(N2CCC(CC[NH+]3CCOCC3)CC2)nc(C2CC2)[nH+]1 ZINC000350731178 404453300 /nfs/dbraw/zinc/45/33/00/404453300.db2.gz XKTMDOBTAZEBRD-UHFFFAOYSA-N 2 2 316.449 2.293 10 0 DEAELP C[C@@H]1C[C@H]([NH2+]CC[C@H]2COc3ccccc3O2)C[N@@H+]1C1CC1 ZINC000358297053 404759268 /nfs/dbraw/zinc/75/92/68/404759268.db2.gz LOFFPQKEQVBOFR-YCPHGPKFSA-N 2 2 302.418 2.431 10 0 DEAELP C[C@@H]1C[C@H]([NH2+]CC[C@H]2COc3ccccc3O2)C[N@H+]1C1CC1 ZINC000358297053 404759271 /nfs/dbraw/zinc/75/92/71/404759271.db2.gz LOFFPQKEQVBOFR-YCPHGPKFSA-N 2 2 302.418 2.431 10 0 DEAELP c1cc(OC[C@H]2CCCO2)ccc1C[NH2+][C@H]1CCCC[NH2+]C1 ZINC000415065291 404799882 /nfs/dbraw/zinc/79/98/82/404799882.db2.gz FVDMXKUJSRFIPP-FUHWJXTLSA-N 2 2 304.434 2.476 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCC[NH2+]C(C)(C)C)C2 ZINC000366670419 404829267 /nfs/dbraw/zinc/82/92/67/404829267.db2.gz ARUHXWYIEWGXQG-GFCCVEGCSA-N 2 2 306.454 2.142 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCC[NH2+]C(C)(C)C)CC2 ZINC000366670419 404829269 /nfs/dbraw/zinc/82/92/69/404829269.db2.gz ARUHXWYIEWGXQG-GFCCVEGCSA-N 2 2 306.454 2.142 10 0 DEAELP c1cncc(C[NH2+]CCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000423184436 405713448 /nfs/dbraw/zinc/71/34/48/405713448.db2.gz IBUDWGCMUHWMKK-GUDVDZBRSA-N 3 2 316.493 2.462 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC(C)(C)C[NH+](C)C)C2 ZINC000457207156 405752380 /nfs/dbraw/zinc/75/23/80/405752380.db2.gz BBAITZMOFDGEHM-GFCCVEGCSA-N 2 2 306.454 2.094 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC(C)(C)C[NH+](C)C)CC2 ZINC000457207156 405752388 /nfs/dbraw/zinc/75/23/88/405752388.db2.gz BBAITZMOFDGEHM-GFCCVEGCSA-N 2 2 306.454 2.094 10 0 DEAELP CC[N@@H+]1CCCN(C(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)CC1 ZINC000526003739 406531896 /nfs/dbraw/zinc/53/18/96/406531896.db2.gz ZXYJCPBGPHECGO-AWEZNQCLSA-N 2 2 318.465 2.192 10 0 DEAELP CC[N@H+]1CCCN(C(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)CC1 ZINC000526003739 406531899 /nfs/dbraw/zinc/53/18/99/406531899.db2.gz ZXYJCPBGPHECGO-AWEZNQCLSA-N 2 2 318.465 2.192 10 0 DEAELP CC[N@@H+]1CCCN(C(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)CC1 ZINC000526003739 406531905 /nfs/dbraw/zinc/53/19/05/406531905.db2.gz ZXYJCPBGPHECGO-AWEZNQCLSA-N 2 2 318.465 2.192 10 0 DEAELP CC[N@H+]1CCCN(C(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)CC1 ZINC000526003739 406531907 /nfs/dbraw/zinc/53/19/07/406531907.db2.gz ZXYJCPBGPHECGO-AWEZNQCLSA-N 2 2 318.465 2.192 10 0 DEAELP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000129019539 196011936 /nfs/dbraw/zinc/01/19/36/196011936.db2.gz PADQVAKQKKWKJY-SWLSCSKDSA-N 2 2 309.841 2.110 10 0 DEAELP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000129019539 196011938 /nfs/dbraw/zinc/01/19/38/196011938.db2.gz PADQVAKQKKWKJY-SWLSCSKDSA-N 2 2 309.841 2.110 10 0 DEAELP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)N1CCC[C@@H]1c1cccs1 ZINC000129038443 196014301 /nfs/dbraw/zinc/01/43/01/196014301.db2.gz QOVRGNIXVBGAKW-HZSPNIEDSA-N 2 2 307.463 2.223 10 0 DEAELP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)N1CCC[C@@H]1c1cccs1 ZINC000129038443 196014302 /nfs/dbraw/zinc/01/43/02/196014302.db2.gz QOVRGNIXVBGAKW-HZSPNIEDSA-N 2 2 307.463 2.223 10 0 DEAELP CCCc1nc(C[N@@H+]2CC[C@@H](N3CCC([NH3+])CC3)C2)cs1 ZINC000130772563 196108666 /nfs/dbraw/zinc/10/86/66/196108666.db2.gz AFSSIXQYPPDRJI-OAHLLOKOSA-N 2 2 308.495 2.093 10 0 DEAELP CCCc1nc(C[N@H+]2CC[C@@H](N3CCC([NH3+])CC3)C2)cs1 ZINC000130772563 196108667 /nfs/dbraw/zinc/10/86/67/196108667.db2.gz AFSSIXQYPPDRJI-OAHLLOKOSA-N 2 2 308.495 2.093 10 0 DEAELP CC(C)c1nc(C[N@@H+]2CC[C@@H](N3CCC([NH3+])CC3)C2)cs1 ZINC000130821310 196113464 /nfs/dbraw/zinc/11/34/64/196113464.db2.gz NIBKIIGQDVDXEK-OAHLLOKOSA-N 2 2 308.495 2.264 10 0 DEAELP CC(C)c1nc(C[N@H+]2CC[C@@H](N3CCC([NH3+])CC3)C2)cs1 ZINC000130821310 196113465 /nfs/dbraw/zinc/11/34/65/196113465.db2.gz NIBKIIGQDVDXEK-OAHLLOKOSA-N 2 2 308.495 2.264 10 0 DEAELP CCc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N2CC[NH+](CC)CC2)cc1 ZINC000192661997 424864897 /nfs/dbraw/zinc/86/48/97/424864897.db2.gz DHFOZTCVDDHQHJ-HOTGVXAUSA-N 2 2 317.477 2.452 10 0 DEAELP CC(C)OC[C@@H](O)C[NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000398079687 424922590 /nfs/dbraw/zinc/92/25/90/424922590.db2.gz RFEWAAQCQOLLPF-OALUTQOASA-N 2 2 320.477 2.417 10 0 DEAELP CC(C)OC[C@@H](O)C[NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000398079687 424922592 /nfs/dbraw/zinc/92/25/92/424922592.db2.gz RFEWAAQCQOLLPF-OALUTQOASA-N 2 2 320.477 2.417 10 0 DEAELP CC[N@@H+]1CC[C@@H]([NH2+]C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000393245813 269099332 /nfs/dbraw/zinc/09/93/32/269099332.db2.gz SIPAVTGWBDJOIC-HUUCEWRRSA-N 2 2 311.470 2.317 10 0 DEAELP CC[N@H+]1CC[C@@H]([NH2+]C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000393245813 269099333 /nfs/dbraw/zinc/09/93/33/269099333.db2.gz SIPAVTGWBDJOIC-HUUCEWRRSA-N 2 2 311.470 2.317 10 0 DEAELP COc1cccc2c(N3CC[N@@H+]4CCOC[C@H]4C3)cc(C)[nH+]c12 ZINC000374908165 278023766 /nfs/dbraw/zinc/02/37/66/278023766.db2.gz GTMCROYXONRGEY-CQSZACIVSA-N 2 2 313.401 2.073 10 0 DEAELP COc1cccc2c(N3CC[N@H+]4CCOC[C@H]4C3)cc(C)[nH+]c12 ZINC000374908165 278023767 /nfs/dbraw/zinc/02/37/67/278023767.db2.gz GTMCROYXONRGEY-CQSZACIVSA-N 2 2 313.401 2.073 10 0 DEAELP C[C@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000180590669 279550110 /nfs/dbraw/zinc/55/01/10/279550110.db2.gz STLHUCOQJXIMOD-ZFWWWQNUSA-N 2 2 308.389 2.129 10 0 DEAELP COC[C@@H](C)C[NH2+]CCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000187635411 332979950 /nfs/dbraw/zinc/97/99/50/332979950.db2.gz TUCRDORUFQONGH-SFHVURJKSA-N 2 2 319.493 2.379 10 0 DEAELP Cc1nc(N2CC[NH+](C[C@@H]3CCC4(CCCC4)O3)CC2)cc[nH+]1 ZINC000583096484 337240532 /nfs/dbraw/zinc/24/05/32/337240532.db2.gz KFQQXPNMWQTRML-INIZCTEOSA-N 2 2 316.449 2.399 10 0 DEAELP CCN(CC)C(=O)C[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000191852319 535426237 /nfs/dbraw/zinc/42/62/37/535426237.db2.gz FXIHWSQCBMJCTH-UHFFFAOYSA-N 2 2 314.433 2.481 10 0 DEAELP CCN(CC)C(=O)C[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000191852319 535426243 /nfs/dbraw/zinc/42/62/43/535426243.db2.gz FXIHWSQCBMJCTH-UHFFFAOYSA-N 2 2 314.433 2.481 10 0 DEAELP CC(C)[NH2+][C@@H]1CCCN(C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000738951960 637545447 /nfs/dbraw/zinc/54/54/47/637545447.db2.gz OBWUCMNQCBQXIU-CYBMUJFWSA-N 2 2 301.394 2.329 10 0 DEAELP CCC[C@H](C(=O)NCc1ccc(-n2cc[nH+]c2)cc1)[NH+](C)C ZINC000179649280 648404205 /nfs/dbraw/zinc/40/42/05/648404205.db2.gz OOYQOILUNWSLFV-MRXNPFEDSA-N 2 2 300.406 2.219 10 0 DEAELP C[C@@H]1CCC[N@H+](Cc2cn(C)nc2Br)[C@@H]1CC[NH3+] ZINC000712435207 792187188 /nfs/dbraw/zinc/18/71/88/792187188.db2.gz LWDXGHUAWUSRDZ-ZYHUDNBSSA-N 2 2 315.259 2.132 10 0 DEAELP C[C@@H]1CCC[N@@H+](Cc2cn(C)nc2Br)[C@@H]1CC[NH3+] ZINC000712435207 792187192 /nfs/dbraw/zinc/18/71/92/792187192.db2.gz LWDXGHUAWUSRDZ-ZYHUDNBSSA-N 2 2 315.259 2.132 10 0 DEAELP C[C@H]1CCC[N@H+](Cc2cn(C)nc2Br)[C@@H]1CC[NH3+] ZINC000712435191 792187205 /nfs/dbraw/zinc/18/72/05/792187205.db2.gz LWDXGHUAWUSRDZ-CMPLNLGQSA-N 2 2 315.259 2.132 10 0 DEAELP C[C@H]1CCC[N@@H+](Cc2cn(C)nc2Br)[C@@H]1CC[NH3+] ZINC000712435191 792187208 /nfs/dbraw/zinc/18/72/08/792187208.db2.gz LWDXGHUAWUSRDZ-CMPLNLGQSA-N 2 2 315.259 2.132 10 0 DEAELP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000328809589 231355376 /nfs/dbraw/zinc/35/53/76/231355376.db2.gz MEHGIPJSDYYJHT-AWEZNQCLSA-N 2 2 323.400 2.163 10 0 DEAELP [NH3+]C[C@]1(Nc2ccccc2Br)C[NH+]2CCC1CC2 ZINC000087914551 185237308 /nfs/dbraw/zinc/23/73/08/185237308.db2.gz OLCKWHKBYHZBAK-AWEZNQCLSA-N 2 2 310.239 2.284 10 0 DEAELP COC(C[C@](C)(C[NH3+])[N@H+](C)Cc1ccc(Cl)cc1)OC ZINC000090265797 185288517 /nfs/dbraw/zinc/28/85/17/185288517.db2.gz SWOSWYNRNGUTCH-OAHLLOKOSA-N 2 2 300.830 2.498 10 0 DEAELP COC(C[C@](C)(C[NH3+])[N@@H+](C)Cc1ccc(Cl)cc1)OC ZINC000090265797 185288518 /nfs/dbraw/zinc/28/85/18/185288518.db2.gz SWOSWYNRNGUTCH-OAHLLOKOSA-N 2 2 300.830 2.498 10 0 DEAELP CC1(C)[C@@H]2C[NH2+]C[C@@H]2C[N@@H+]1Cc1nnc(-c2cccs2)o1 ZINC000090338195 185291761 /nfs/dbraw/zinc/29/17/61/185291761.db2.gz LYZGDGFMZWMVSP-GHMZBOCLSA-N 2 2 304.419 2.228 10 0 DEAELP CC1(C)[C@@H]2C[NH2+]C[C@@H]2C[N@H+]1Cc1nnc(-c2cccs2)o1 ZINC000090338195 185291762 /nfs/dbraw/zinc/29/17/62/185291762.db2.gz LYZGDGFMZWMVSP-GHMZBOCLSA-N 2 2 304.419 2.228 10 0 DEAELP CC1(C)[C@@H]2C[NH2+]C[C@H]2C[N@@H+]1CC(=O)Nc1ccc(Cl)cc1 ZINC000090337858 185291973 /nfs/dbraw/zinc/29/19/73/185291973.db2.gz UWENSBTZPNRWBO-SMDDNHRTSA-N 2 2 307.825 2.208 10 0 DEAELP CC1(C)[C@@H]2C[NH2+]C[C@H]2C[N@H+]1CC(=O)Nc1ccc(Cl)cc1 ZINC000090337858 185291974 /nfs/dbraw/zinc/29/19/74/185291974.db2.gz UWENSBTZPNRWBO-SMDDNHRTSA-N 2 2 307.825 2.208 10 0 DEAELP CC[NH+](CC)CCC[N@H+](C)[C@H]1CCN(c2ccccc2)C1=O ZINC000171931203 198009513 /nfs/dbraw/zinc/00/95/13/198009513.db2.gz ROAAMJODSFQEDZ-KRWDZBQOSA-N 2 2 303.450 2.456 10 0 DEAELP CC[NH+](CC)CCC[N@@H+](C)[C@H]1CCN(c2ccccc2)C1=O ZINC000171931203 198009514 /nfs/dbraw/zinc/00/95/14/198009514.db2.gz ROAAMJODSFQEDZ-KRWDZBQOSA-N 2 2 303.450 2.456 10 0 DEAELP CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2cn3ccccc3[nH+]2)[C@H](C)C1 ZINC000172610234 198123398 /nfs/dbraw/zinc/12/33/98/198123398.db2.gz WCTPITGFTLYECZ-GDBMZVCRSA-N 2 2 314.433 2.066 10 0 DEAELP CC[N@H+]1CC[C@@H](N(C)C(=O)Cc2cn3ccccc3[nH+]2)[C@H](C)C1 ZINC000172610234 198123399 /nfs/dbraw/zinc/12/33/99/198123399.db2.gz WCTPITGFTLYECZ-GDBMZVCRSA-N 2 2 314.433 2.066 10 0 DEAELP COC[C@@H](C)C[N@@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000249939122 356331529 /nfs/dbraw/zinc/33/15/29/356331529.db2.gz SPZWSDJXTGWVGA-DZGCQCFKSA-N 2 2 311.495 2.488 10 0 DEAELP COC[C@@H](C)C[N@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000249939122 356331532 /nfs/dbraw/zinc/33/15/32/356331532.db2.gz SPZWSDJXTGWVGA-DZGCQCFKSA-N 2 2 311.495 2.488 10 0 DEAELP COC[C@@H](C)C[NH+]1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000249939122 356331536 /nfs/dbraw/zinc/33/15/36/356331536.db2.gz SPZWSDJXTGWVGA-DZGCQCFKSA-N 2 2 311.495 2.488 10 0 DEAELP COC[C@@H](C)C[NH+]1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000249939122 356331540 /nfs/dbraw/zinc/33/15/40/356331540.db2.gz SPZWSDJXTGWVGA-DZGCQCFKSA-N 2 2 311.495 2.488 10 0 DEAELP CN(C)c1ccc(N[C@H]2CCC[N@H+](Cc3cc[nH]n3)CC2)c[nH+]1 ZINC000328654463 356466395 /nfs/dbraw/zinc/46/63/95/356466395.db2.gz XLZMTMFYXGKALT-AWEZNQCLSA-N 2 2 314.437 2.337 10 0 DEAELP CN(C)c1ccc(N[C@H]2CCC[N@@H+](Cc3cc[nH]n3)CC2)c[nH+]1 ZINC000328654463 356466400 /nfs/dbraw/zinc/46/64/00/356466400.db2.gz XLZMTMFYXGKALT-AWEZNQCLSA-N 2 2 314.437 2.337 10 0 DEAELP C[C@@H](c1nc(C2CC2)no1)[N@H+](C)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328655571 356466653 /nfs/dbraw/zinc/46/66/53/356466653.db2.gz YMCDIKDSUWZHIH-RYUDHWBXSA-N 2 2 301.394 2.399 10 0 DEAELP C[C@@H](c1nc(C2CC2)no1)[N@@H+](C)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328655571 356466656 /nfs/dbraw/zinc/46/66/56/356466656.db2.gz YMCDIKDSUWZHIH-RYUDHWBXSA-N 2 2 301.394 2.399 10 0 DEAELP C[C@@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)[S@](C)=O ZINC000090843180 192938032 /nfs/dbraw/zinc/93/80/32/192938032.db2.gz QZONBHXRYGERQQ-YCRPNKLZSA-N 2 2 308.491 2.050 10 0 DEAELP CCC[NH2+][C@@H](CCCS(C)(=O)=O)C(CC)(CC)[NH+](C)C ZINC000091615160 193079496 /nfs/dbraw/zinc/07/94/96/193079496.db2.gz ZAIVJPHVZQTGKH-AWEZNQCLSA-N 2 2 306.516 2.300 10 0 DEAELP COc1c(C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c(C)nn1C ZINC000091960616 193131987 /nfs/dbraw/zinc/13/19/87/193131987.db2.gz NDUYSAGCWLZMHR-SWLSCSKDSA-N 2 2 303.410 2.017 10 0 DEAELP COc1c(C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c(C)nn1C ZINC000091960616 193131991 /nfs/dbraw/zinc/13/19/91/193131991.db2.gz NDUYSAGCWLZMHR-SWLSCSKDSA-N 2 2 303.410 2.017 10 0 DEAELP C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH2+]CC1)c1cccs1 ZINC000038043148 296101310 /nfs/dbraw/zinc/10/13/10/296101310.db2.gz LXTNIBJESDZUJV-TZMCWYRMSA-N 2 2 307.463 2.142 10 0 DEAELP C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C1CC[NH2+]CC1)c1cccs1 ZINC000038043148 296101311 /nfs/dbraw/zinc/10/13/11/296101311.db2.gz LXTNIBJESDZUJV-TZMCWYRMSA-N 2 2 307.463 2.142 10 0 DEAELP CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CC(C)(C)S(C)(=O)=O ZINC000093525393 193264354 /nfs/dbraw/zinc/26/43/54/193264354.db2.gz HBCXIDILLLROIB-GOOCMWNKSA-N 2 2 316.511 2.195 10 0 DEAELP CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC(C)(C)S(C)(=O)=O ZINC000093525393 193264356 /nfs/dbraw/zinc/26/43/56/193264356.db2.gz HBCXIDILLLROIB-GOOCMWNKSA-N 2 2 316.511 2.195 10 0 DEAELP CCC[NH2+][C@H]1CCCc2nc([C@@H]3C[N@H+](C)CCN3C)sc21 ZINC000093896229 193325841 /nfs/dbraw/zinc/32/58/41/193325841.db2.gz HKMBHALKBLIYEM-JSGCOSHPSA-N 2 2 308.495 2.438 10 0 DEAELP CCC[NH2+][C@H]1CCCc2nc([C@@H]3C[N@@H+](C)CCN3C)sc21 ZINC000093896229 193325843 /nfs/dbraw/zinc/32/58/43/193325843.db2.gz HKMBHALKBLIYEM-JSGCOSHPSA-N 2 2 308.495 2.438 10 0 DEAELP C[C@@H]1C[C@@](C[NH3+])([NH+]2CCN(c3ccc(F)cc3)CC2)CS1 ZINC000094473240 193372524 /nfs/dbraw/zinc/37/25/24/193372524.db2.gz VOKHDUYUMXWYJM-CJNGLKHVSA-N 2 2 309.454 2.171 10 0 DEAELP CCC[NH2+][C@@H](Cc1ccc(CC)s1)[C@@H]1C[NH+]2CCN1CC2 ZINC000094510912 193375614 /nfs/dbraw/zinc/37/56/14/193375614.db2.gz AEZKNSVMOSYGHV-IRXDYDNUSA-N 2 2 307.507 2.221 10 0 DEAELP CC[C@H]([NH3+])[C@H](c1ccc(C)s1)[NH+](CCOC)CCOC ZINC000043240876 183345888 /nfs/dbraw/zinc/34/58/88/183345888.db2.gz GFXBZLYMIVUFCV-DZGCQCFKSA-N 2 2 300.468 2.430 10 0 DEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2nnc(C3CC3)n2C)C1 ZINC000105897870 194162307 /nfs/dbraw/zinc/16/23/07/194162307.db2.gz FFAMPRDNMPVKSU-AWEZNQCLSA-N 2 2 314.437 2.289 10 0 DEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2nnc(C3CC3)n2C)C1 ZINC000105897870 194162308 /nfs/dbraw/zinc/16/23/08/194162308.db2.gz FFAMPRDNMPVKSU-AWEZNQCLSA-N 2 2 314.437 2.289 10 0 DEAELP Cc1cccc(NC(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000158494399 197278340 /nfs/dbraw/zinc/27/83/40/197278340.db2.gz LUMXEHYMHHMIAJ-WBVHZDCISA-N 2 2 301.434 2.350 10 0 DEAELP Cc1cccc(NC(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000158494399 197278342 /nfs/dbraw/zinc/27/83/42/197278342.db2.gz LUMXEHYMHHMIAJ-WBVHZDCISA-N 2 2 301.434 2.350 10 0 DEAELP Cc1cccc(NC(=O)C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000158494399 197278345 /nfs/dbraw/zinc/27/83/45/197278345.db2.gz LUMXEHYMHHMIAJ-WBVHZDCISA-N 2 2 301.434 2.350 10 0 DEAELP Cc1cccc(NC(=O)C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000158494399 197278347 /nfs/dbraw/zinc/27/83/47/197278347.db2.gz LUMXEHYMHHMIAJ-WBVHZDCISA-N 2 2 301.434 2.350 10 0 DEAELP COc1cc([C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCOCC2)ccc1F ZINC000153903571 196919620 /nfs/dbraw/zinc/91/96/20/196919620.db2.gz FWQNUMFXJAGKEC-KGLIPLIRSA-N 2 2 310.413 2.453 10 0 DEAELP Cc1cc(NS(=O)(=O)c2ccc(C[NH3+])cc2Cl)cc[nH+]1 ZINC000126469147 195842485 /nfs/dbraw/zinc/84/24/85/195842485.db2.gz UQKHPTSHBVYISI-UHFFFAOYSA-N 2 2 311.794 2.303 10 0 DEAELP Cc1cc[nH+]c(NC[C@@H]2CCN(c3nc[nH+]c(N)c3Cl)C2)c1 ZINC000372968501 133372408 /nfs/dbraw/zinc/37/24/08/133372408.db2.gz SHTMKDSFIOXGHW-NSHDSACASA-N 2 2 318.812 2.354 10 0 DEAELP c1cc2c(c(C[N@@H+]3CCC[C@@H]([NH+]4CCOCC4)CC3)c1)NCC2 ZINC000563426121 292056622 /nfs/dbraw/zinc/05/66/22/292056622.db2.gz UCLVBWSWFFFIPA-GOSISDBHSA-N 2 2 315.461 2.341 10 0 DEAELP c1cc2c(c(C[N@H+]3CCC[C@@H]([NH+]4CCOCC4)CC3)c1)NCC2 ZINC000563426121 292056623 /nfs/dbraw/zinc/05/66/23/292056623.db2.gz UCLVBWSWFFFIPA-GOSISDBHSA-N 2 2 315.461 2.341 10 0 DEAELP Cc1csc2c1ncnc2NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000192649044 145076184 /nfs/dbraw/zinc/07/61/84/145076184.db2.gz UEQIZFJNGTWRFN-UHFFFAOYSA-N 2 2 319.478 2.438 10 0 DEAELP CC(C)[NH2+]CC[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000193466261 145086385 /nfs/dbraw/zinc/08/63/85/145086385.db2.gz KMFQHKYFISILAF-ZDUSSCGKSA-N 2 2 324.856 2.384 10 0 DEAELP CC(C)[NH2+]CC[N@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000193466261 145086386 /nfs/dbraw/zinc/08/63/86/145086386.db2.gz KMFQHKYFISILAF-ZDUSSCGKSA-N 2 2 324.856 2.384 10 0 DEAELP C[C@@H]1Cc2ccccc2N1C(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000246506553 145104670 /nfs/dbraw/zinc/10/46/70/145104670.db2.gz BCNAIDVRHUTDLK-INMHGKMJSA-N 2 2 315.461 2.379 10 0 DEAELP C[C@@H]1Cc2ccccc2N1C(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000246506553 145104672 /nfs/dbraw/zinc/10/46/72/145104672.db2.gz BCNAIDVRHUTDLK-INMHGKMJSA-N 2 2 315.461 2.379 10 0 DEAELP C[C@@H]1Cc2ccccc2N1C(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000246506553 145104674 /nfs/dbraw/zinc/10/46/74/145104674.db2.gz BCNAIDVRHUTDLK-INMHGKMJSA-N 2 2 315.461 2.379 10 0 DEAELP C[C@@H]1Cc2ccccc2N1C(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000246506553 145104675 /nfs/dbraw/zinc/10/46/75/145104675.db2.gz BCNAIDVRHUTDLK-INMHGKMJSA-N 2 2 315.461 2.379 10 0 DEAELP O[C@H](C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)CC(F)(F)F ZINC000248865259 145170725 /nfs/dbraw/zinc/17/07/25/145170725.db2.gz ATRQTRLDHZSMAM-RYUDHWBXSA-N 2 2 303.328 2.129 10 0 DEAELP O[C@H](C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)CC(F)(F)F ZINC000248865259 145170727 /nfs/dbraw/zinc/17/07/27/145170727.db2.gz ATRQTRLDHZSMAM-RYUDHWBXSA-N 2 2 303.328 2.129 10 0 DEAELP CC(C)CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249800598 145190187 /nfs/dbraw/zinc/19/01/87/145190187.db2.gz AAUOTJHZEUEAMH-CVEARBPZSA-N 2 2 318.465 2.366 10 0 DEAELP CC(C)CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249800598 145190188 /nfs/dbraw/zinc/19/01/88/145190188.db2.gz AAUOTJHZEUEAMH-CVEARBPZSA-N 2 2 318.465 2.366 10 0 DEAELP C[C@H](NC(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(F)cc1 ZINC000261634019 145212527 /nfs/dbraw/zinc/21/25/27/145212527.db2.gz CJLBAGXAJWMRGA-QIXHYMPYSA-N 2 2 319.424 2.218 10 0 DEAELP C[C@H](NC(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(F)cc1 ZINC000261634019 145212529 /nfs/dbraw/zinc/21/25/29/145212529.db2.gz CJLBAGXAJWMRGA-QIXHYMPYSA-N 2 2 319.424 2.218 10 0 DEAELP CCOC(=O)[C@H](Cc1cccc(Cl)c1)[NH2+]CC1CC[NH2+]CC1 ZINC000261705842 145218445 /nfs/dbraw/zinc/21/84/45/145218445.db2.gz IKKBGRONTDAOOQ-INIZCTEOSA-N 2 2 324.852 2.403 10 0 DEAELP Cc1ccccc1CN(C)C(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261747388 145222998 /nfs/dbraw/zinc/22/29/98/145222998.db2.gz OPLQXTHXHTWNNP-JWTNVVGKSA-N 2 2 315.461 2.168 10 0 DEAELP Cc1ccccc1CN(C)C(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261747388 145222999 /nfs/dbraw/zinc/22/29/99/145222999.db2.gz OPLQXTHXHTWNNP-JWTNVVGKSA-N 2 2 315.461 2.168 10 0 DEAELP COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000261871284 145236393 /nfs/dbraw/zinc/23/63/93/145236393.db2.gz SYLJTESCAGWRSA-SWLSCSKDSA-N 2 2 305.422 2.081 10 0 DEAELP COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000261871284 145236392 /nfs/dbraw/zinc/23/63/92/145236392.db2.gz SYLJTESCAGWRSA-SWLSCSKDSA-N 2 2 305.422 2.081 10 0 DEAELP C[NH+](C)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)C1CCCCC1 ZINC000261976832 145248343 /nfs/dbraw/zinc/24/83/43/145248343.db2.gz RDKWGWAFFCUJEZ-AKHDSKFASA-N 3 2 323.525 2.244 10 0 DEAELP CN(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)c1ccccc1 ZINC000262037222 145255413 /nfs/dbraw/zinc/25/54/13/145255413.db2.gz YCAYPXKMGYJQPX-ZSYWTGECSA-N 2 2 317.477 2.036 10 0 DEAELP C[NH+](C)[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)c1ccccc1 ZINC000262037222 145255414 /nfs/dbraw/zinc/25/54/14/145255414.db2.gz YCAYPXKMGYJQPX-ZSYWTGECSA-N 2 2 317.477 2.036 10 0 DEAELP CC[N@H+](C[C@@]1(C)CC[NH2+]C1)[C@H]1CCN(c2ccccc2)C1=O ZINC000262089214 145260536 /nfs/dbraw/zinc/26/05/36/145260536.db2.gz UPNAAGFYTQNJLU-WMZOPIPTSA-N 2 2 301.434 2.113 10 0 DEAELP CC[N@@H+](C[C@@]1(C)CC[NH2+]C1)[C@H]1CCN(c2ccccc2)C1=O ZINC000262089214 145260538 /nfs/dbraw/zinc/26/05/38/145260538.db2.gz UPNAAGFYTQNJLU-WMZOPIPTSA-N 2 2 301.434 2.113 10 0 DEAELP C[C@@H](NC(=O)C[N@H+](C)[C@@H]1CCC[NH2+]CC1)c1ccc(F)cc1 ZINC000262460641 145285327 /nfs/dbraw/zinc/28/53/27/145285327.db2.gz INMXDASLVQNBAA-CZUORRHYSA-N 2 2 307.413 2.077 10 0 DEAELP C[C@@H](NC(=O)C[N@@H+](C)[C@@H]1CCC[NH2+]CC1)c1ccc(F)cc1 ZINC000262460641 145285329 /nfs/dbraw/zinc/28/53/29/145285329.db2.gz INMXDASLVQNBAA-CZUORRHYSA-N 2 2 307.413 2.077 10 0 DEAELP COCC[C@@H](COC)[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309863245 145350416 /nfs/dbraw/zinc/35/04/16/145350416.db2.gz OHFJKGYDYOJURK-ROUUACIJSA-N 2 2 306.450 2.292 10 0 DEAELP COCC[C@@H](COC)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309863245 145350418 /nfs/dbraw/zinc/35/04/18/145350418.db2.gz OHFJKGYDYOJURK-ROUUACIJSA-N 2 2 306.450 2.292 10 0 DEAELP C[C@H]1C[N@@H+](C2CC[NH+](Cc3ccccc3N(C)C)CC2)CCO1 ZINC000078048197 401838793 /nfs/dbraw/zinc/83/87/93/401838793.db2.gz PTINTTOQFMBBTQ-INIZCTEOSA-N 2 2 317.477 2.438 10 0 DEAELP C[C@H]1C[N@H+](C2CC[NH+](Cc3ccccc3N(C)C)CC2)CCO1 ZINC000078048197 401838796 /nfs/dbraw/zinc/83/87/96/401838796.db2.gz PTINTTOQFMBBTQ-INIZCTEOSA-N 2 2 317.477 2.438 10 0 DEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2nc(CC)cc(=O)[nH]2)C1 ZINC000120177320 401981114 /nfs/dbraw/zinc/98/11/14/401981114.db2.gz SBRIHCAKBDGFLS-AWEZNQCLSA-N 2 2 315.421 2.341 10 0 DEAELP C[C@@H]([NH2+]C[C@H](C)N1CCOCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000123435714 402127846 /nfs/dbraw/zinc/12/78/46/402127846.db2.gz CEDPVUWTAZYXGP-JKSUJKDBSA-N 2 2 314.433 2.244 10 0 DEAELP C[C@@H]1C[C@@H]([NH+](C)CC(=O)NCc2ccc(Cl)cc2)CC[N@@H+]1C ZINC000123555794 402134306 /nfs/dbraw/zinc/13/43/06/402134306.db2.gz LDNNSXMHDJKRBZ-CJNGLKHVSA-N 2 2 323.868 2.371 10 0 DEAELP C[C@@H]1C[C@@H]([NH+](C)CC(=O)NCc2ccc(Cl)cc2)CC[N@H+]1C ZINC000123555794 402134309 /nfs/dbraw/zinc/13/43/09/402134309.db2.gz LDNNSXMHDJKRBZ-CJNGLKHVSA-N 2 2 323.868 2.371 10 0 DEAELP C[C@@H]1C[C@@H]([N@H+](C)CC(=O)NCc2ccc(Cl)cc2)CC[NH+]1C ZINC000123555794 402134312 /nfs/dbraw/zinc/13/43/12/402134312.db2.gz LDNNSXMHDJKRBZ-CJNGLKHVSA-N 2 2 323.868 2.371 10 0 DEAELP C[C@@H]1C[C@@H]([N@@H+](C)CC(=O)NCc2ccc(Cl)cc2)CC[NH+]1C ZINC000123555794 402134315 /nfs/dbraw/zinc/13/43/15/402134315.db2.gz LDNNSXMHDJKRBZ-CJNGLKHVSA-N 2 2 323.868 2.371 10 0 DEAELP CC1CCC(N(C)C(=O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)CC1 ZINC000123716061 402142723 /nfs/dbraw/zinc/14/27/23/402142723.db2.gz LVJYVICMIBYIGA-MNAZLIDISA-N 2 2 309.498 2.438 10 0 DEAELP CC1CCC(N(C)C(=O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)CC1 ZINC000123716061 402142726 /nfs/dbraw/zinc/14/27/26/402142726.db2.gz LVJYVICMIBYIGA-MNAZLIDISA-N 2 2 309.498 2.438 10 0 DEAELP CC1CCC(N(C)C(=O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000123716061 402142729 /nfs/dbraw/zinc/14/27/29/402142729.db2.gz LVJYVICMIBYIGA-MNAZLIDISA-N 2 2 309.498 2.438 10 0 DEAELP CC1CCC(N(C)C(=O)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000123716061 402142733 /nfs/dbraw/zinc/14/27/33/402142733.db2.gz LVJYVICMIBYIGA-MNAZLIDISA-N 2 2 309.498 2.438 10 0 DEAELP Cc1ccc(CNC(=O)C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1F ZINC000123885143 402152308 /nfs/dbraw/zinc/15/23/08/402152308.db2.gz QCPLTVQILHFEHP-ZBFHGGJFSA-N 2 2 321.440 2.165 10 0 DEAELP Cc1ccc(CNC(=O)C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1F ZINC000123885143 402152313 /nfs/dbraw/zinc/15/23/13/402152313.db2.gz QCPLTVQILHFEHP-ZBFHGGJFSA-N 2 2 321.440 2.165 10 0 DEAELP Cc1ccc(CNC(=O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1F ZINC000123885143 402152319 /nfs/dbraw/zinc/15/23/19/402152319.db2.gz QCPLTVQILHFEHP-ZBFHGGJFSA-N 2 2 321.440 2.165 10 0 DEAELP Cc1ccc(CNC(=O)C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1F ZINC000123885143 402152320 /nfs/dbraw/zinc/15/23/20/402152320.db2.gz QCPLTVQILHFEHP-ZBFHGGJFSA-N 2 2 321.440 2.165 10 0 DEAELP Cc1ccc(CCC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cc1 ZINC000177126164 402372383 /nfs/dbraw/zinc/37/23/83/402372383.db2.gz OSJHDUIQQHHENC-UHFFFAOYSA-N 2 2 317.477 2.070 10 0 DEAELP COc1ccc(C[C@@H](C)C[N@@H+]2CCO[C@H](C[NH+](C)C)C2)cc1F ZINC000185233042 402337201 /nfs/dbraw/zinc/33/72/01/402337201.db2.gz LAWNXUJGOYIKTD-GDBMZVCRSA-N 2 2 324.440 2.275 10 0 DEAELP COc1ccc(C[C@@H](C)C[N@H+]2CCO[C@H](C[NH+](C)C)C2)cc1F ZINC000185233042 402337205 /nfs/dbraw/zinc/33/72/05/402337205.db2.gz LAWNXUJGOYIKTD-GDBMZVCRSA-N 2 2 324.440 2.275 10 0 DEAELP O=C(c1ccc(-n2cc[nH+]c2)cc1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186505595 402437428 /nfs/dbraw/zinc/43/74/28/402437428.db2.gz MBSCOBGKAPUYQD-HNNXBMFYSA-N 2 2 310.401 2.229 10 0 DEAELP C[C@@H](CN1CCOCC1)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189911565 402566593 /nfs/dbraw/zinc/56/65/93/402566593.db2.gz PQLDDYLMSZTABS-HOTGVXAUSA-N 2 2 314.433 2.244 10 0 DEAELP C[NH+](C)CC1CCC(NC(=O)Cc2cn3ccccc3[nH+]2)CC1 ZINC000178759164 402535695 /nfs/dbraw/zinc/53/56/95/402535695.db2.gz ZFMSDEQJPADOBH-UHFFFAOYSA-N 2 2 314.433 2.113 10 0 DEAELP CCCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180660318 402622797 /nfs/dbraw/zinc/62/27/97/402622797.db2.gz UEGUCJOCKAJBNI-UONOGXRCSA-N 2 2 300.406 2.438 10 0 DEAELP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(C)c(F)c2)CC1 ZINC000181347107 402642149 /nfs/dbraw/zinc/64/21/49/402642149.db2.gz OMLQWGLJYLYHIN-HUUCEWRRSA-N 2 2 321.440 2.337 10 0 DEAELP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1nccn1C ZINC000182982545 402730849 /nfs/dbraw/zinc/73/08/49/402730849.db2.gz UQEYEYZFTTVHQV-VYDXJSESSA-N 2 2 313.449 2.376 10 0 DEAELP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1nccn1C ZINC000182982545 402730851 /nfs/dbraw/zinc/73/08/51/402730851.db2.gz UQEYEYZFTTVHQV-VYDXJSESSA-N 2 2 313.449 2.376 10 0 DEAELP Cc1[nH+]c2ccccc2n1CC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000194919879 402822950 /nfs/dbraw/zinc/82/29/50/402822950.db2.gz GNPPUDAKYPXRDV-OAHLLOKOSA-N 2 2 316.449 2.437 10 0 DEAELP C[C@H]1CCCC[N@@H+]1CCCCNc1nc2c(cnn2C)c(N)[nH+]1 ZINC000278417676 402865566 /nfs/dbraw/zinc/86/55/66/402865566.db2.gz OJOYLNMZWRVNMS-LBPRGKRZSA-N 2 2 317.441 2.012 10 0 DEAELP C[C@H]1CCCC[N@H+]1CCCCNc1nc2c(cnn2C)c(N)[nH+]1 ZINC000278417676 402865568 /nfs/dbraw/zinc/86/55/68/402865568.db2.gz OJOYLNMZWRVNMS-LBPRGKRZSA-N 2 2 317.441 2.012 10 0 DEAELP CCO[C@@H]1C[C@@H]([NH2+][C@H](C)C[NH+]2CCCCC2)C12CCOCC2 ZINC000248997432 286291771 /nfs/dbraw/zinc/29/17/71/286291771.db2.gz MIXZKBDEMMHFQC-BRWVUGGUSA-N 2 2 310.482 2.425 10 0 DEAELP CC[C@@H]1CN(c2nc(C)[nH+]c3c2CCCC3)CC[N@@H+]1CCOC ZINC000302056445 403706516 /nfs/dbraw/zinc/70/65/16/403706516.db2.gz QRSXNBHKTMWDGU-OAHLLOKOSA-N 2 2 318.465 2.211 10 0 DEAELP CC[C@@H]1CN(c2nc(C)[nH+]c3c2CCCC3)CC[N@H+]1CCOC ZINC000302056445 403706520 /nfs/dbraw/zinc/70/65/20/403706520.db2.gz QRSXNBHKTMWDGU-OAHLLOKOSA-N 2 2 318.465 2.211 10 0 DEAELP C[C@@H]1C[C@@H]([NH2+]C2CCC(C(N)=O)CC2)C[N@@H+]1Cc1ccccc1 ZINC000303491655 403755406 /nfs/dbraw/zinc/75/54/06/403755406.db2.gz ZUCUZIRIKWIBPH-AGERRDQYSA-N 2 2 315.461 2.283 10 0 DEAELP C[C@@H]1C[C@@H]([NH2+]C2CCC(C(N)=O)CC2)C[N@H+]1Cc1ccccc1 ZINC000303491655 403755411 /nfs/dbraw/zinc/75/54/11/403755411.db2.gz ZUCUZIRIKWIBPH-AGERRDQYSA-N 2 2 315.461 2.283 10 0 DEAELP CCO[C@@H]1C[C@H]([NH2+]CC[N@@H+]2CCC[C@H](C)C2)C12CCOCC2 ZINC000186247170 286386567 /nfs/dbraw/zinc/38/65/67/286386567.db2.gz WYGIOLCFJLXVCJ-YESZJQIVSA-N 2 2 310.482 2.282 10 0 DEAELP CCO[C@@H]1C[C@H]([NH2+]CC[N@H+]2CCC[C@H](C)C2)C12CCOCC2 ZINC000186247170 286386568 /nfs/dbraw/zinc/38/65/68/286386568.db2.gz WYGIOLCFJLXVCJ-YESZJQIVSA-N 2 2 310.482 2.282 10 0 DEAELP Cc1nc(N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)nc(N)[nH+]1 ZINC000309931412 403964230 /nfs/dbraw/zinc/96/42/30/403964230.db2.gz WHXOIUKWTVCZEE-SWLSCSKDSA-N 2 2 312.421 2.085 10 0 DEAELP Cc1nc(N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nc(N)[nH+]1 ZINC000309931412 403964240 /nfs/dbraw/zinc/96/42/40/403964240.db2.gz WHXOIUKWTVCZEE-SWLSCSKDSA-N 2 2 312.421 2.085 10 0 DEAELP Cc1nc(N)nc(N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)[nH+]1 ZINC000309931412 403964248 /nfs/dbraw/zinc/96/42/48/403964248.db2.gz WHXOIUKWTVCZEE-SWLSCSKDSA-N 2 2 312.421 2.085 10 0 DEAELP Cc1nc(N)nc(N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[nH+]1 ZINC000309931412 403964255 /nfs/dbraw/zinc/96/42/55/403964255.db2.gz WHXOIUKWTVCZEE-SWLSCSKDSA-N 2 2 312.421 2.085 10 0 DEAELP Cc1[nH+]ccn1CCC[N@@H+]1CCn2c(C(C)C)nnc2[C@H]1C ZINC000364751091 404527706 /nfs/dbraw/zinc/52/77/06/404527706.db2.gz VXYCEMMHMWQIGV-CYBMUJFWSA-N 2 2 302.426 2.373 10 0 DEAELP Cc1[nH+]ccn1CCC[N@H+]1CCn2c(C(C)C)nnc2[C@H]1C ZINC000364751091 404527716 /nfs/dbraw/zinc/52/77/16/404527716.db2.gz VXYCEMMHMWQIGV-CYBMUJFWSA-N 2 2 302.426 2.373 10 0 DEAELP Cc1cc(CC[NH2+]C2CC[NH+](Cc3ccccn3)CC2)on1 ZINC000376111152 404804411 /nfs/dbraw/zinc/80/44/11/404804411.db2.gz FXBSBRKKDGAEOY-UHFFFAOYSA-N 2 2 300.406 2.175 10 0 DEAELP COC1([C@H](C)[NH2+]C[C@H](c2ccccc2)[NH+](C)C)CCOCC1 ZINC000453054298 405279908 /nfs/dbraw/zinc/27/99/08/405279908.db2.gz HIIPEZBJMQNRHZ-DOTOQJQBSA-N 2 2 306.450 2.463 10 0 DEAELP CC1=CC[N@H+](CC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000459470843 405917310 /nfs/dbraw/zinc/91/73/10/405917310.db2.gz ARKKENWAJBOGTK-UHFFFAOYSA-N 3 2 300.450 2.292 10 0 DEAELP CC1=CC[N@@H+](CC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000459470843 405917319 /nfs/dbraw/zinc/91/73/19/405917319.db2.gz ARKKENWAJBOGTK-UHFFFAOYSA-N 3 2 300.450 2.292 10 0 DEAELP Cn1cc(C[N@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)cn1 ZINC000261751676 225255369 /nfs/dbraw/zinc/25/53/69/225255369.db2.gz LFUXOIHGRLPANF-CQSZACIVSA-N 2 2 317.462 2.021 10 0 DEAELP Cn1cc(C[N@@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)cn1 ZINC000261751676 225255372 /nfs/dbraw/zinc/25/53/72/225255372.db2.gz LFUXOIHGRLPANF-CQSZACIVSA-N 2 2 317.462 2.021 10 0 DEAELP c1[nH+]cn2c1c(NC1CC([NH+]3CCOCC3)C1)nc1ccccc12 ZINC000624333143 422544082 /nfs/dbraw/zinc/54/40/82/422544082.db2.gz JUFNDNGAQFHNFV-UHFFFAOYSA-N 2 2 323.400 2.158 10 0 DEAELP Cn1cc[nH+]c1CC1CC[NH+](CC(=O)NCCC(C)(C)C)CC1 ZINC000105876646 424849296 /nfs/dbraw/zinc/84/92/96/424849296.db2.gz KPDJROHYDQGAIJ-UHFFFAOYSA-N 2 2 320.481 2.227 10 0 DEAELP CCO[C@@H]1C[N@H+](Cc2cc(Br)cs2)C[C@H]1C[NH3+] ZINC000405415049 424931400 /nfs/dbraw/zinc/93/14/00/424931400.db2.gz BLNMIPOHWGCIRC-BXKDBHETSA-N 2 2 319.268 2.306 10 0 DEAELP CCO[C@@H]1C[N@@H+](Cc2cc(Br)cs2)C[C@H]1C[NH3+] ZINC000405415049 424931403 /nfs/dbraw/zinc/93/14/03/424931403.db2.gz BLNMIPOHWGCIRC-BXKDBHETSA-N 2 2 319.268 2.306 10 0 DEAELP CN(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000302891729 424892748 /nfs/dbraw/zinc/89/27/48/424892748.db2.gz JXOTZXZCWPRKKX-ROUUACIJSA-N 2 2 315.461 2.109 10 0 DEAELP CN(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000302891729 424892751 /nfs/dbraw/zinc/89/27/51/424892751.db2.gz JXOTZXZCWPRKKX-ROUUACIJSA-N 2 2 315.461 2.109 10 0 DEAELP COCC[NH+]1[C@@H](C)CN(c2nc(C)[nH+]c3c2CCCC3)C[C@@H]1C ZINC000302120951 274033827 /nfs/dbraw/zinc/03/38/27/274033827.db2.gz XZPUAYQNRXOKKN-KBPBESRZSA-N 2 2 318.465 2.209 10 0 DEAELP COc1cccc2c(N3C[C@@H]4[C@H](C3)OCC[N@@H+]4C)cc(C)[nH+]c12 ZINC000301700994 278025141 /nfs/dbraw/zinc/02/51/41/278025141.db2.gz FQZVJYRGVPTLFD-WBVHZDCISA-N 2 2 313.401 2.071 10 0 DEAELP COc1cccc2c(N3C[C@@H]4[C@H](C3)OCC[N@H+]4C)cc(C)[nH+]c12 ZINC000301700994 278025144 /nfs/dbraw/zinc/02/51/44/278025144.db2.gz FQZVJYRGVPTLFD-WBVHZDCISA-N 2 2 313.401 2.071 10 0 DEAELP C[C@@H](C(=O)N1CCSc2ccccc21)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261689679 278195035 /nfs/dbraw/zinc/19/50/35/278195035.db2.gz HJYOAAMFTLFCTQ-GUYCJALGSA-N 2 2 319.474 2.185 10 0 DEAELP C[C@@H](C(=O)N1CCSc2ccccc21)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261689679 278195037 /nfs/dbraw/zinc/19/50/37/278195037.db2.gz HJYOAAMFTLFCTQ-GUYCJALGSA-N 2 2 319.474 2.185 10 0 DEAELP Cc1cc(C)c(N2CC[C@H]([NH2+]C3CC[NH+](C)CC3)C2=O)c(C)c1 ZINC000190972491 280387957 /nfs/dbraw/zinc/38/79/57/280387957.db2.gz BVHPYHGIYUUGFN-KRWDZBQOSA-N 2 2 315.461 2.401 10 0 DEAELP C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)CC[C@H]21 ZINC000248157395 536379468 /nfs/dbraw/zinc/37/94/68/536379468.db2.gz ROELVPRHCMNBLZ-SJLPKXTDSA-N 2 2 324.428 2.429 10 0 DEAELP C[N@H+]1CCC[C@@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)CC[C@H]21 ZINC000248157395 536379470 /nfs/dbraw/zinc/37/94/70/536379470.db2.gz ROELVPRHCMNBLZ-SJLPKXTDSA-N 2 2 324.428 2.429 10 0 DEAELP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000309698838 625511481 /nfs/dbraw/zinc/51/14/81/625511481.db2.gz FJCCPGQRGSZRMR-AEFFLSMTSA-N 3 2 301.478 2.438 10 0 DEAELP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000309698838 625511492 /nfs/dbraw/zinc/51/14/92/625511492.db2.gz FJCCPGQRGSZRMR-AEFFLSMTSA-N 3 2 301.478 2.438 10 0 DEAELP Cn1cnc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)c1 ZINC000309920804 625251178 /nfs/dbraw/zinc/25/11/78/625251178.db2.gz QPNWWIAKPSNGTQ-BHIYHBOVSA-N 2 2 310.445 2.420 10 0 DEAELP Cn1cnc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)c1 ZINC000309920804 625251181 /nfs/dbraw/zinc/25/11/81/625251181.db2.gz QPNWWIAKPSNGTQ-BHIYHBOVSA-N 2 2 310.445 2.420 10 0 DEAELP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)CC(F)F)CC1 ZINC000746321975 638335576 /nfs/dbraw/zinc/33/55/76/638335576.db2.gz RYOOQROXSGPEQQ-AWEZNQCLSA-N 2 2 317.424 2.049 10 0 DEAELP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)CC(F)F)CC1 ZINC000746321975 638335585 /nfs/dbraw/zinc/33/55/85/638335585.db2.gz RYOOQROXSGPEQQ-AWEZNQCLSA-N 2 2 317.424 2.049 10 0 DEAELP CCC[NH+]1CCC[C@H]1C(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000746321975 638335592 /nfs/dbraw/zinc/33/55/92/638335592.db2.gz RYOOQROXSGPEQQ-AWEZNQCLSA-N 2 2 317.424 2.049 10 0 DEAELP CCC[NH+]1CCC[C@H]1C(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000746321975 638335597 /nfs/dbraw/zinc/33/55/97/638335597.db2.gz RYOOQROXSGPEQQ-AWEZNQCLSA-N 2 2 317.424 2.049 10 0 DEAELP CCC[NH+]1CCC([NH2+][C@@H]2CON(C(=O)OC(C)(C)C)C2)CC1 ZINC000705599066 1086617730 /nfs/dbraw/zinc/61/77/30/1086617730.db2.gz PXTHKGQFCQWVHI-AWEZNQCLSA-N 2 2 313.442 2.001 10 0 DEAELP C[C@H](c1ccccc1Br)[NH+]1CC(N2CC[NH2+]CC2)C1 ZINC000090308278 185290144 /nfs/dbraw/zinc/29/01/44/185290144.db2.gz ZMDIMINGKHDJIX-GFCCVEGCSA-N 2 2 324.266 2.100 10 0 DEAELP C[C@@H](c1cccc(Br)c1)[NH+]1CC(N2CC[NH2+]CC2)C1 ZINC000090308054 185290335 /nfs/dbraw/zinc/29/03/35/185290335.db2.gz MJOFUAFAVCEQFK-LBPRGKRZSA-N 2 2 324.266 2.100 10 0 DEAELP CC1(C)[C@H]2C[NH2+]C[C@@H]2C[N@@H+]1CC(=O)Nc1cccc(Cl)c1 ZINC000090337923 185291887 /nfs/dbraw/zinc/29/18/87/185291887.db2.gz NKEFSPUUYMOYHZ-RISCZKNCSA-N 2 2 307.825 2.208 10 0 DEAELP CC1(C)[C@H]2C[NH2+]C[C@@H]2C[N@H+]1CC(=O)Nc1cccc(Cl)c1 ZINC000090337923 185291888 /nfs/dbraw/zinc/29/18/88/185291888.db2.gz NKEFSPUUYMOYHZ-RISCZKNCSA-N 2 2 307.825 2.208 10 0 DEAELP C[N@H+](Cc1ccccc1Br)C[C@]1(C)COC[C@@H]1[NH3+] ZINC000090606709 185306456 /nfs/dbraw/zinc/30/64/56/185306456.db2.gz CDLIXUITABDVTM-UONOGXRCSA-N 2 2 313.239 2.245 10 0 DEAELP C[N@@H+](Cc1ccccc1Br)C[C@]1(C)COC[C@@H]1[NH3+] ZINC000090606709 185306457 /nfs/dbraw/zinc/30/64/57/185306457.db2.gz CDLIXUITABDVTM-UONOGXRCSA-N 2 2 313.239 2.245 10 0 DEAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NC2CCC(C)CC2)[C@@H](C)C1 ZINC000245421428 282386635 /nfs/dbraw/zinc/38/66/35/282386635.db2.gz HYOJMIYMRBOKKW-ODZFXCKXSA-N 2 2 309.498 2.343 10 0 DEAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NC2CCC(C)CC2)[C@@H](C)C1 ZINC000245421428 282386638 /nfs/dbraw/zinc/38/66/38/282386638.db2.gz HYOJMIYMRBOKKW-ODZFXCKXSA-N 2 2 309.498 2.343 10 0 DEAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NC2CCC(C)CC2)[C@@H](C)C1 ZINC000245421428 282386641 /nfs/dbraw/zinc/38/66/41/282386641.db2.gz HYOJMIYMRBOKKW-ODZFXCKXSA-N 2 2 309.498 2.343 10 0 DEAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NC2CCC(C)CC2)[C@@H](C)C1 ZINC000245421428 282386643 /nfs/dbraw/zinc/38/66/43/282386643.db2.gz HYOJMIYMRBOKKW-ODZFXCKXSA-N 2 2 309.498 2.343 10 0 DEAELP COc1ccc(Cl)c2c1CN(Cc1[nH+]ccn1C)[C@@H]2C[NH3+] ZINC000071684013 191008995 /nfs/dbraw/zinc/00/89/95/191008995.db2.gz WYPPPKLATAKBAI-GFCCVEGCSA-N 2 2 306.797 2.098 10 0 DEAELP C[C@H](c1ccncc1)[NH+]1CCN(C(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000071700498 191009744 /nfs/dbraw/zinc/00/97/44/191009744.db2.gz YSJLLAZLSKLMOT-OAHLLOKOSA-N 2 2 324.428 2.059 10 0 DEAELP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2CCOC)C12CCCC2 ZINC000181675322 356089460 /nfs/dbraw/zinc/08/94/60/356089460.db2.gz UZOYKQDEXIICLT-GVDBMIGSSA-N 2 2 310.482 2.425 10 0 DEAELP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2CCOC)C12CCCC2 ZINC000181675322 356089464 /nfs/dbraw/zinc/08/94/64/356089464.db2.gz UZOYKQDEXIICLT-GVDBMIGSSA-N 2 2 310.482 2.425 10 0 DEAELP CC(C)c1nnc(C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)n1C ZINC000179476582 199042493 /nfs/dbraw/zinc/04/24/93/199042493.db2.gz VCRGXMATTBINCB-KBPBESRZSA-N 2 2 302.426 2.218 10 0 DEAELP CC(C)c1nnc(C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)n1C ZINC000179476582 199042496 /nfs/dbraw/zinc/04/24/96/199042496.db2.gz VCRGXMATTBINCB-KBPBESRZSA-N 2 2 302.426 2.218 10 0 DEAELP CC(C)[N@H+](C)CC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000608206565 361184394 /nfs/dbraw/zinc/18/43/94/361184394.db2.gz YEFDHELIYRISDR-MRXNPFEDSA-N 2 2 314.433 2.160 10 0 DEAELP CC(C)[N@@H+](C)CC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000608206565 361184398 /nfs/dbraw/zinc/18/43/98/361184398.db2.gz YEFDHELIYRISDR-MRXNPFEDSA-N 2 2 314.433 2.160 10 0 DEAELP CCC[NH2+][C@H](CCCS(C)(=O)=O)C(CC)(CC)[NH+](C)C ZINC000091615161 193079824 /nfs/dbraw/zinc/07/98/24/193079824.db2.gz ZAIVJPHVZQTGKH-CQSZACIVSA-N 2 2 306.516 2.300 10 0 DEAELP C[NH2+][C@H](Cc1cc(Br)ccc1OC)C[NH+](C)C ZINC000091719671 193096927 /nfs/dbraw/zinc/09/69/27/193096927.db2.gz DWLIBNLVQBXITD-GFCCVEGCSA-N 2 2 301.228 2.150 10 0 DEAELP C[NH2+][C@@H](Cc1cc(Br)ccc1OC)C[NH+](C)C ZINC000091719670 193097090 /nfs/dbraw/zinc/09/70/90/193097090.db2.gz DWLIBNLVQBXITD-LBPRGKRZSA-N 2 2 301.228 2.150 10 0 DEAELP CC(=O)N1CC[C@H]([NH2+][C@H]2CC[C@@H](C)[NH2+]C2)c2ccccc2C1 ZINC000629543336 367241979 /nfs/dbraw/zinc/24/19/79/367241979.db2.gz YRZGSXWLWVUFJZ-SKDZVZGDSA-N 2 2 301.434 2.210 10 0 DEAELP c1nn(-c2cc[nH+]cc2)c2nc[nH+]c(NCC[C@H]3CCCOC3)c12 ZINC000630384603 367625843 /nfs/dbraw/zinc/62/58/43/367625843.db2.gz APCFLFGFJIBFCZ-CYBMUJFWSA-N 2 2 324.388 2.439 10 0 DEAELP Brc1cncc(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)c1 ZINC000631890146 368445765 /nfs/dbraw/zinc/44/57/65/368445765.db2.gz PAVYSCGIXOVPTH-GXTWGEPZSA-N 2 2 310.239 2.418 10 0 DEAELP Brc1cncc(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)c1 ZINC000631890146 368445772 /nfs/dbraw/zinc/44/57/72/368445772.db2.gz PAVYSCGIXOVPTH-GXTWGEPZSA-N 2 2 310.239 2.418 10 0 DEAELP CCN(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631888460 368445928 /nfs/dbraw/zinc/44/59/28/368445928.db2.gz ZNBJMRKBLQSZCH-ROUUACIJSA-N 2 2 315.461 2.109 10 0 DEAELP CCN(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631888460 368445932 /nfs/dbraw/zinc/44/59/32/368445932.db2.gz ZNBJMRKBLQSZCH-ROUUACIJSA-N 2 2 315.461 2.109 10 0 DEAELP COc1cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc2c1OCCO2 ZINC000093644089 193281998 /nfs/dbraw/zinc/28/19/98/193281998.db2.gz YEAFUPZMNRWXJN-HIFRSBDPSA-N 2 2 320.433 2.381 10 0 DEAELP COc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc2c1OCCO2 ZINC000093644089 193282000 /nfs/dbraw/zinc/28/20/00/193282000.db2.gz YEAFUPZMNRWXJN-HIFRSBDPSA-N 2 2 320.433 2.381 10 0 DEAELP COc1cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc2c1OCCO2 ZINC000093644089 193282001 /nfs/dbraw/zinc/28/20/01/193282001.db2.gz YEAFUPZMNRWXJN-HIFRSBDPSA-N 2 2 320.433 2.381 10 0 DEAELP COc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc2c1OCCO2 ZINC000093644089 193282003 /nfs/dbraw/zinc/28/20/03/193282003.db2.gz YEAFUPZMNRWXJN-HIFRSBDPSA-N 2 2 320.433 2.381 10 0 DEAELP CCC[NH2+][C@@H](Cc1ccccc1Cl)[C@H]1C[N@H+](C)CCN1C ZINC000093895865 193325146 /nfs/dbraw/zinc/32/51/46/193325146.db2.gz WCZXVTQCXRCCQW-DLBZAZTESA-N 2 2 309.885 2.497 10 0 DEAELP CCC[NH2+][C@@H](Cc1ccccc1Cl)[C@H]1C[N@@H+](C)CCN1C ZINC000093895865 193325148 /nfs/dbraw/zinc/32/51/48/193325148.db2.gz WCZXVTQCXRCCQW-DLBZAZTESA-N 2 2 309.885 2.497 10 0 DEAELP C[NH2+][C@H](c1cccc(C(F)(F)F)c1)[C@H]1C[N@H+](C)CCN1C ZINC000093894383 193325163 /nfs/dbraw/zinc/32/51/63/193325163.db2.gz TUTNGVHBTVLJPB-ZIAGYGMSSA-N 2 2 301.356 2.212 10 0 DEAELP C[NH2+][C@H](c1cccc(C(F)(F)F)c1)[C@H]1C[N@@H+](C)CCN1C ZINC000093894383 193325165 /nfs/dbraw/zinc/32/51/65/193325165.db2.gz TUTNGVHBTVLJPB-ZIAGYGMSSA-N 2 2 301.356 2.212 10 0 DEAELP Nc1cc(Br)ccc1C[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000094047799 193341619 /nfs/dbraw/zinc/34/16/19/193341619.db2.gz ADXBPJZDXMPGDG-LBPRGKRZSA-N 2 2 310.239 2.358 10 0 DEAELP Nc1cc(Br)ccc1C[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000094047799 193341621 /nfs/dbraw/zinc/34/16/21/193341621.db2.gz ADXBPJZDXMPGDG-LBPRGKRZSA-N 2 2 310.239 2.358 10 0 DEAELP CC(C)C[C@H](C[NH3+])C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000094698362 193391757 /nfs/dbraw/zinc/39/17/57/193391757.db2.gz JCOVZSCJQUHDCS-CQSZACIVSA-N 2 2 309.479 2.013 10 0 DEAELP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530219028 284376288 /nfs/dbraw/zinc/37/62/88/284376288.db2.gz YPIWWLNTERGWRT-BPQIPLTHSA-N 3 2 313.445 2.117 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C)C2 ZINC000530289636 284396561 /nfs/dbraw/zinc/39/65/61/284396561.db2.gz FKVROCGMKNQUAX-HZSPNIEDSA-N 2 2 318.465 2.189 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C)C2 ZINC000530289636 284396562 /nfs/dbraw/zinc/39/65/62/284396562.db2.gz FKVROCGMKNQUAX-HZSPNIEDSA-N 2 2 318.465 2.189 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C)CC2 ZINC000530289636 284396565 /nfs/dbraw/zinc/39/65/65/284396565.db2.gz FKVROCGMKNQUAX-HZSPNIEDSA-N 2 2 318.465 2.189 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C)CC2 ZINC000530289636 284396566 /nfs/dbraw/zinc/39/65/66/284396566.db2.gz FKVROCGMKNQUAX-HZSPNIEDSA-N 2 2 318.465 2.189 10 0 DEAELP CCn1cc[nH+]c1[C@@H](C)NC(=O)NCCC1CC[NH+](CC)CC1 ZINC000454641287 246016934 /nfs/dbraw/zinc/01/69/34/246016934.db2.gz FJQBAYISEXUYEW-CQSZACIVSA-N 2 2 321.469 2.385 10 0 DEAELP COC[C@@H](C)[N@H+](C)[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000042517834 183279531 /nfs/dbraw/zinc/27/95/31/183279531.db2.gz RQQSZVAUQCDZBN-MFKMUULPSA-N 2 2 301.228 2.416 10 0 DEAELP COC[C@@H](C)[N@@H+](C)[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000042517834 183279532 /nfs/dbraw/zinc/27/95/32/183279532.db2.gz RQQSZVAUQCDZBN-MFKMUULPSA-N 2 2 301.228 2.416 10 0 DEAELP C[C@H](C[NH2+]C1CC(OCc2ccccc2)C1)C[NH+]1CCOCC1 ZINC000493760855 249392689 /nfs/dbraw/zinc/39/26/89/249392689.db2.gz ALYRKTKZYSEPEW-IPJUCJBFSA-N 2 2 318.461 2.292 10 0 DEAELP COCC[N@@H+]([C@@H](C[NH3+])c1ccc(SC)cc1)[C@@H](C)COC ZINC000042606649 183290244 /nfs/dbraw/zinc/29/02/44/183290244.db2.gz UQSAHDDHOBYCGA-BBRMVZONSA-N 2 2 312.479 2.392 10 0 DEAELP COCC[N@H+]([C@@H](C[NH3+])c1ccc(SC)cc1)[C@@H](C)COC ZINC000042606649 183290246 /nfs/dbraw/zinc/29/02/46/183290246.db2.gz UQSAHDDHOBYCGA-BBRMVZONSA-N 2 2 312.479 2.392 10 0 DEAELP CC[C@H]([NH3+])[C@H](c1sccc1C)[NH+](CCOC)CCOC ZINC000043248094 183346904 /nfs/dbraw/zinc/34/69/04/183346904.db2.gz FWHBSASCHWXFHS-UONOGXRCSA-N 2 2 300.468 2.430 10 0 DEAELP C[C@@H](C[NH3+])N1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000109459335 194265800 /nfs/dbraw/zinc/26/58/00/194265800.db2.gz STXHKJYMDLDCAA-LBPRGKRZSA-N 2 2 301.356 2.170 10 0 DEAELP C[NH+]1CCN(Nc2cc(Cl)nc(-c3ccccc3)[nH+]2)CC1 ZINC000159099567 197327616 /nfs/dbraw/zinc/32/76/16/197327616.db2.gz XEDXZZILNCGJMS-UHFFFAOYSA-N 2 2 303.797 2.371 10 0 DEAELP C[C@@H]([NH2+]C1CCS(=O)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000157912312 197226769 /nfs/dbraw/zinc/22/67/69/197226769.db2.gz OWGWWIZZFSLNAX-TZHTUTLZSA-N 2 2 303.431 2.434 10 0 DEAELP Cc1c[nH+]ccc1NC(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000120661629 195210504 /nfs/dbraw/zinc/21/05/04/195210504.db2.gz JHGDVDHUVDSSGG-CQSZACIVSA-N 2 2 318.421 2.107 10 0 DEAELP Cc1c[nH+]ccc1NC(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000120661629 195210506 /nfs/dbraw/zinc/21/05/06/195210506.db2.gz JHGDVDHUVDSSGG-CQSZACIVSA-N 2 2 318.421 2.107 10 0 DEAELP c1coc(C[N@H+]2C[C@@H]3OC[C@H](COc4cc[nH+]cc4)[C@@H]3C2)c1 ZINC000247897836 257114960 /nfs/dbraw/zinc/11/49/60/257114960.db2.gz HRVYTPNHGOIXHC-JQFCIGGWSA-N 2 2 300.358 2.200 10 0 DEAELP c1coc(C[N@@H+]2C[C@@H]3OC[C@H](COc4cc[nH+]cc4)[C@@H]3C2)c1 ZINC000247897836 257114961 /nfs/dbraw/zinc/11/49/61/257114961.db2.gz HRVYTPNHGOIXHC-JQFCIGGWSA-N 2 2 300.358 2.200 10 0 DEAELP Cc1[nH+]c2ccccc2n1CCC(=O)N1CC[N@@H+](C)CC1(C)C ZINC000357604921 133087615 /nfs/dbraw/zinc/08/76/15/133087615.db2.gz ZYELZEVQPABPKJ-UHFFFAOYSA-N 2 2 314.433 2.287 10 0 DEAELP Cc1[nH+]c2ccccc2n1CCC(=O)N1CC[N@H+](C)CC1(C)C ZINC000357604921 133087616 /nfs/dbraw/zinc/08/76/16/133087616.db2.gz ZYELZEVQPABPKJ-UHFFFAOYSA-N 2 2 314.433 2.287 10 0 DEAELP Cc1cc[nH+]c(N(C)C[C@H]2C[C@@H](F)C[N@@H+]2Cc2cnn(C)c2)c1 ZINC000357684820 133093115 /nfs/dbraw/zinc/09/31/15/133093115.db2.gz LXEZCBZXBRQFBC-HZPDHXFCSA-N 2 2 317.412 2.172 10 0 DEAELP Cc1cc[nH+]c(N(C)C[C@H]2C[C@@H](F)C[N@H+]2Cc2cnn(C)c2)c1 ZINC000357684820 133093116 /nfs/dbraw/zinc/09/31/16/133093116.db2.gz LXEZCBZXBRQFBC-HZPDHXFCSA-N 2 2 317.412 2.172 10 0 DEAELP COCC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(N(C)C(C)C)nc1 ZINC000190944260 145050508 /nfs/dbraw/zinc/05/05/08/145050508.db2.gz YVWIRSCWKGVWEC-KRWDZBQOSA-N 2 2 320.481 2.127 10 0 DEAELP COCC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(N(C)C(C)C)nc1 ZINC000190944260 145050510 /nfs/dbraw/zinc/05/05/10/145050510.db2.gz YVWIRSCWKGVWEC-KRWDZBQOSA-N 2 2 320.481 2.127 10 0 DEAELP COC(=O)[C@@H](C)C[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000191947032 145068365 /nfs/dbraw/zinc/06/83/65/145068365.db2.gz SZKOMMWREGUCGK-AWEZNQCLSA-N 2 2 301.390 2.422 10 0 DEAELP COC(=O)[C@@H](C)C[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000191947032 145068366 /nfs/dbraw/zinc/06/83/66/145068366.db2.gz SZKOMMWREGUCGK-AWEZNQCLSA-N 2 2 301.390 2.422 10 0 DEAELP CC(C)[NH2+]CC[NH+]1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000193466765 145086167 /nfs/dbraw/zinc/08/61/67/145086167.db2.gz YVWOLQBQQSJRJL-UHFFFAOYSA-N 2 2 315.461 2.286 10 0 DEAELP Cc1ccccc1CNC(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247025184 145123923 /nfs/dbraw/zinc/12/39/23/145123923.db2.gz USOFYONACBRODL-RDJZCZTQSA-N 2 2 303.450 2.026 10 0 DEAELP Cc1ccccc1CNC(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000247025184 145123925 /nfs/dbraw/zinc/12/39/25/145123925.db2.gz USOFYONACBRODL-RDJZCZTQSA-N 2 2 303.450 2.026 10 0 DEAELP Cc1ccccc1CNC(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000247025184 145123927 /nfs/dbraw/zinc/12/39/27/145123927.db2.gz USOFYONACBRODL-RDJZCZTQSA-N 2 2 303.450 2.026 10 0 DEAELP Cc1ccccc1CNC(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000247025184 145123929 /nfs/dbraw/zinc/12/39/29/145123929.db2.gz USOFYONACBRODL-RDJZCZTQSA-N 2 2 303.450 2.026 10 0 DEAELP CC1CC[NH+](C[C@@H]2CCC[N@H+](C[C@@H](O)C(F)(F)F)C2)CC1 ZINC000248389899 145152414 /nfs/dbraw/zinc/15/24/14/145152414.db2.gz HKDIKSXIBZMUBN-UONOGXRCSA-N 2 2 308.388 2.354 10 0 DEAELP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@@H](O)C(F)(F)F)C2)CC1 ZINC000248389899 145152415 /nfs/dbraw/zinc/15/24/15/145152415.db2.gz HKDIKSXIBZMUBN-UONOGXRCSA-N 2 2 308.388 2.354 10 0 DEAELP CC(C)[NH2+]CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000249028119 145175864 /nfs/dbraw/zinc/17/58/64/145175864.db2.gz LGOKTIFZCIHUJQ-KKUMJFAQSA-N 2 2 311.470 2.220 10 0 DEAELP CC(C)[NH2+]CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000249028119 145175865 /nfs/dbraw/zinc/17/58/65/145175865.db2.gz LGOKTIFZCIHUJQ-KKUMJFAQSA-N 2 2 311.470 2.220 10 0 DEAELP CCN(Cc1ccccc1)C(=O)C[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261551170 145206830 /nfs/dbraw/zinc/20/68/30/145206830.db2.gz QGDWPMDMOCTFNJ-MRXNPFEDSA-N 2 2 303.450 2.094 10 0 DEAELP CCN(Cc1ccccc1)C(=O)C[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261551170 145206832 /nfs/dbraw/zinc/20/68/32/145206832.db2.gz QGDWPMDMOCTFNJ-MRXNPFEDSA-N 2 2 303.450 2.094 10 0 DEAELP Cc1cccc2[nH+]c(CN3CC[NH2+]C[C@H]3c3cccnc3)cn21 ZINC000261663644 145215042 /nfs/dbraw/zinc/21/50/42/145215042.db2.gz HAZMNTCRQZHWCI-KRWDZBQOSA-N 2 2 307.401 2.184 10 0 DEAELP Cc1cc(C(C)C)nc(N2CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)n1 ZINC000262000822 145252148 /nfs/dbraw/zinc/25/21/48/145252148.db2.gz UAYMJCUUWOFFCP-MRXNPFEDSA-N 2 2 317.481 2.030 10 0 DEAELP COC(=O)c1cccc(C[N@H+](CC[NH3+])CCc2ccccc2)c1 ZINC000262026825 145254486 /nfs/dbraw/zinc/25/44/86/145254486.db2.gz NPMAFQVIZGMEJH-UHFFFAOYSA-N 2 2 312.413 2.477 10 0 DEAELP COC(=O)c1cccc(C[N@@H+](CC[NH3+])CCc2ccccc2)c1 ZINC000262026825 145254488 /nfs/dbraw/zinc/25/44/88/145254488.db2.gz NPMAFQVIZGMEJH-UHFFFAOYSA-N 2 2 312.413 2.477 10 0 DEAELP CC(C)Cc1ccc([C@H](CNC2=[NH+]CCCN2)[NH+](C)C)cc1 ZINC000262338188 145277859 /nfs/dbraw/zinc/27/78/59/145277859.db2.gz XQNLDDUDXGXVRL-KRWDZBQOSA-N 2 2 302.466 2.427 10 0 DEAELP CC(=O)N(C)C1CC[NH+](Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000346172277 146030734 /nfs/dbraw/zinc/03/07/34/146030734.db2.gz LJOIMBTXAJZIOJ-UHFFFAOYSA-N 2 2 318.446 2.377 10 0 DEAELP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000372392135 148203358 /nfs/dbraw/zinc/20/33/58/148203358.db2.gz ACEUEJVKIHUMDQ-KBPBESRZSA-N 2 2 318.465 2.239 10 0 DEAELP CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000372392135 148203360 /nfs/dbraw/zinc/20/33/60/148203360.db2.gz ACEUEJVKIHUMDQ-KBPBESRZSA-N 2 2 318.465 2.239 10 0 DEAELP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000372392135 148203362 /nfs/dbraw/zinc/20/33/62/148203362.db2.gz ACEUEJVKIHUMDQ-KBPBESRZSA-N 2 2 318.465 2.239 10 0 DEAELP CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000372392135 148203364 /nfs/dbraw/zinc/20/33/64/148203364.db2.gz ACEUEJVKIHUMDQ-KBPBESRZSA-N 2 2 318.465 2.239 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N(C)[C@H]1CCC[N@H+](C)C1)C2 ZINC000375264357 148349411 /nfs/dbraw/zinc/34/94/11/148349411.db2.gz YUBIGSIMESJPDJ-KBPBESRZSA-N 2 2 318.465 2.191 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N(C)[C@H]1CCC[N@@H+](C)C1)C2 ZINC000375264357 148349413 /nfs/dbraw/zinc/34/94/13/148349413.db2.gz YUBIGSIMESJPDJ-KBPBESRZSA-N 2 2 318.465 2.191 10 0 DEAELP CCn1cc(C[N@@H+]2CCCN(c3cc(C)[nH+]c(C)n3)CC2)cn1 ZINC000112695458 401754117 /nfs/dbraw/zinc/75/41/17/401754117.db2.gz CNGXZDRSBFDBHF-UHFFFAOYSA-N 2 2 314.437 2.022 10 0 DEAELP CCn1cc(C[N@H+]2CCCN(c3cc(C)[nH+]c(C)n3)CC2)cn1 ZINC000112695458 401754119 /nfs/dbraw/zinc/75/41/19/401754119.db2.gz CNGXZDRSBFDBHF-UHFFFAOYSA-N 2 2 314.437 2.022 10 0 DEAELP [NH3+]CC[NH2+][C@H]1CCCc2sc(I)cc21 ZINC000127925812 401756064 /nfs/dbraw/zinc/75/60/64/401756064.db2.gz SUCNBCVEVCJWNV-QMMMGPOBSA-N 2 2 322.215 2.278 10 0 DEAELP C[C@@H]1C[C@H]([NH+](C)Cc2ccccc2N2CCOCC2)CC[N@@H+]1C ZINC000093644805 402017622 /nfs/dbraw/zinc/01/76/22/402017622.db2.gz MPYZHOQSAUYFTH-SJLPKXTDSA-N 2 2 317.477 2.438 10 0 DEAELP C[C@@H]1C[C@H]([NH+](C)Cc2ccccc2N2CCOCC2)CC[N@H+]1C ZINC000093644805 402017627 /nfs/dbraw/zinc/01/76/27/402017627.db2.gz MPYZHOQSAUYFTH-SJLPKXTDSA-N 2 2 317.477 2.438 10 0 DEAELP C[C@@H]1C[C@H]([N@H+](C)Cc2ccccc2N2CCOCC2)CC[NH+]1C ZINC000093644805 402017630 /nfs/dbraw/zinc/01/76/30/402017630.db2.gz MPYZHOQSAUYFTH-SJLPKXTDSA-N 2 2 317.477 2.438 10 0 DEAELP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccccc2N2CCOCC2)CC[NH+]1C ZINC000093644805 402017633 /nfs/dbraw/zinc/01/76/33/402017633.db2.gz MPYZHOQSAUYFTH-SJLPKXTDSA-N 2 2 317.477 2.438 10 0 DEAELP COc1ccc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)cc1F ZINC000151272685 402026868 /nfs/dbraw/zinc/02/68/68/402026868.db2.gz AZAIPVBRJRFXKG-ZFWWWQNUSA-N 2 2 310.413 2.332 10 0 DEAELP C[C@@H]1C[C@H]([NH+](C)CC(=O)N(C)Cc2ccccc2F)CC[N@@H+]1C ZINC000123310910 402121053 /nfs/dbraw/zinc/12/10/53/402121053.db2.gz MATFSKGNDDKTQQ-GDBMZVCRSA-N 2 2 321.440 2.199 10 0 DEAELP C[C@@H]1C[C@H]([NH+](C)CC(=O)N(C)Cc2ccccc2F)CC[N@H+]1C ZINC000123310910 402121056 /nfs/dbraw/zinc/12/10/56/402121056.db2.gz MATFSKGNDDKTQQ-GDBMZVCRSA-N 2 2 321.440 2.199 10 0 DEAELP C[C@@H]1C[C@H]([N@H+](C)CC(=O)N(C)Cc2ccccc2F)CC[NH+]1C ZINC000123310910 402121057 /nfs/dbraw/zinc/12/10/57/402121057.db2.gz MATFSKGNDDKTQQ-GDBMZVCRSA-N 2 2 321.440 2.199 10 0 DEAELP C[C@@H]1C[C@H]([N@@H+](C)CC(=O)N(C)Cc2ccccc2F)CC[NH+]1C ZINC000123310910 402121060 /nfs/dbraw/zinc/12/10/60/402121060.db2.gz MATFSKGNDDKTQQ-GDBMZVCRSA-N 2 2 321.440 2.199 10 0 DEAELP C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123247408 402117586 /nfs/dbraw/zinc/11/75/86/402117586.db2.gz WTHDMKDBVVRVSN-VQHPVUNQSA-N 2 2 309.498 2.438 10 0 DEAELP C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123247408 402117589 /nfs/dbraw/zinc/11/75/89/402117589.db2.gz WTHDMKDBVVRVSN-VQHPVUNQSA-N 2 2 309.498 2.438 10 0 DEAELP C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123247408 402117590 /nfs/dbraw/zinc/11/75/90/402117590.db2.gz WTHDMKDBVVRVSN-VQHPVUNQSA-N 2 2 309.498 2.438 10 0 DEAELP C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123247408 402117593 /nfs/dbraw/zinc/11/75/93/402117593.db2.gz WTHDMKDBVVRVSN-VQHPVUNQSA-N 2 2 309.498 2.438 10 0 DEAELP COc1ccc(C)cc1NC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123423604 402127122 /nfs/dbraw/zinc/12/71/22/402127122.db2.gz BRLJHNIURDKWOB-HUUCEWRRSA-N 2 2 319.449 2.357 10 0 DEAELP COc1ccc(C)cc1NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123423604 402127124 /nfs/dbraw/zinc/12/71/24/402127124.db2.gz BRLJHNIURDKWOB-HUUCEWRRSA-N 2 2 319.449 2.357 10 0 DEAELP COc1ccc(C)cc1NC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123423604 402127126 /nfs/dbraw/zinc/12/71/26/402127126.db2.gz BRLJHNIURDKWOB-HUUCEWRRSA-N 2 2 319.449 2.357 10 0 DEAELP COc1ccc(C)cc1NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123423604 402127127 /nfs/dbraw/zinc/12/71/27/402127127.db2.gz BRLJHNIURDKWOB-HUUCEWRRSA-N 2 2 319.449 2.357 10 0 DEAELP CN(CCCn1cc[nH+]c1)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000125066214 402211319 /nfs/dbraw/zinc/21/13/19/402211319.db2.gz DRKIWNVWSLUKRF-UHFFFAOYSA-N 2 2 321.469 2.035 10 0 DEAELP Cn1cc(-c2cc(C[NH+]3CCC([NH+]4CCCC4)CC3)on2)cn1 ZINC000184983343 402314711 /nfs/dbraw/zinc/31/47/11/402314711.db2.gz HKDVHYMGYQHWFU-UHFFFAOYSA-N 2 2 315.421 2.135 10 0 DEAELP COc1cc(OC)cc([C@H]2CC[N@H+](CCn3cc[nH+]c3)C2)c1 ZINC000163237758 402445327 /nfs/dbraw/zinc/44/53/27/402445327.db2.gz VKUAAJIJMIPVKP-AWEZNQCLSA-N 2 2 301.390 2.390 10 0 DEAELP COc1cc(OC)cc([C@H]2CC[N@@H+](CCn3cc[nH+]c3)C2)c1 ZINC000163237758 402445329 /nfs/dbraw/zinc/44/53/29/402445329.db2.gz VKUAAJIJMIPVKP-AWEZNQCLSA-N 2 2 301.390 2.390 10 0 DEAELP C[C@@H]([NH2+]C(C)(C)C[NH2+]C1CCN(C(N)=O)CC1)c1ccccc1 ZINC000167852428 402494353 /nfs/dbraw/zinc/49/43/53/402494353.db2.gz XJKHAIIZFZCJHA-CQSZACIVSA-N 2 2 318.465 2.249 10 0 DEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2nnc(C)n2CC)C1 ZINC000171614833 402601607 /nfs/dbraw/zinc/60/16/07/402601607.db2.gz XVSHOYKPSRBPLQ-CQSZACIVSA-N 2 2 302.426 2.202 10 0 DEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2nnc(C)n2CC)C1 ZINC000171614833 402601610 /nfs/dbraw/zinc/60/16/10/402601610.db2.gz XVSHOYKPSRBPLQ-CQSZACIVSA-N 2 2 302.426 2.202 10 0 DEAELP CCc1noc(CC)c1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000261884018 402718707 /nfs/dbraw/zinc/71/87/07/402718707.db2.gz FROMTNRFCABANZ-APHBMKBZSA-N 2 2 307.438 2.046 10 0 DEAELP C[NH+]1CCC(CNC(=O)c2ccsc2)([NH+]2CCCCC2)CC1 ZINC000172750932 402673794 /nfs/dbraw/zinc/67/37/94/402673794.db2.gz VYVRZIPBOPCHMD-UHFFFAOYSA-N 2 2 321.490 2.428 10 0 DEAELP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(=O)oc3cc(O)ccc23)CC[N@@H+]1C ZINC000182396936 402686834 /nfs/dbraw/zinc/68/68/34/402686834.db2.gz XLXWPRMSTACNLM-OCCSQVGLSA-N 2 2 316.401 2.413 10 0 DEAELP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(=O)oc3cc(O)ccc23)CC[N@H+]1C ZINC000182396936 402686836 /nfs/dbraw/zinc/68/68/36/402686836.db2.gz XLXWPRMSTACNLM-OCCSQVGLSA-N 2 2 316.401 2.413 10 0 DEAELP C[C@@H]1C[C@@H]([N@H+](C)Cc2cc(=O)oc3cc(O)ccc23)CC[NH+]1C ZINC000182396936 402686837 /nfs/dbraw/zinc/68/68/37/402686837.db2.gz XLXWPRMSTACNLM-OCCSQVGLSA-N 2 2 316.401 2.413 10 0 DEAELP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(=O)oc3cc(O)ccc23)CC[NH+]1C ZINC000182396936 402686839 /nfs/dbraw/zinc/68/68/39/402686839.db2.gz XLXWPRMSTACNLM-OCCSQVGLSA-N 2 2 316.401 2.413 10 0 DEAELP COc1ccccc1/C=C\C[N@H+](CCO)C1CC[NH+](C)CC1 ZINC000255725546 402695454 /nfs/dbraw/zinc/69/54/54/402695454.db2.gz CKDXYRZZPDTLSE-ALCCZGGFSA-N 2 2 304.434 2.097 10 0 DEAELP COc1ccccc1/C=C\C[N@@H+](CCO)C1CC[NH+](C)CC1 ZINC000255725546 402695456 /nfs/dbraw/zinc/69/54/56/402695456.db2.gz CKDXYRZZPDTLSE-ALCCZGGFSA-N 2 2 304.434 2.097 10 0 DEAELP C[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)C1 ZINC000195515807 402848894 /nfs/dbraw/zinc/84/88/94/402848894.db2.gz LMTWNEASGQDDEO-HZPDHXFCSA-N 2 2 316.449 2.074 10 0 DEAELP C[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)C1 ZINC000195515807 402848895 /nfs/dbraw/zinc/84/88/95/402848895.db2.gz LMTWNEASGQDDEO-HZPDHXFCSA-N 2 2 316.449 2.074 10 0 DEAELP [NH3+][C@@H]1CCCO[C@H]1C1CCN(c2cc[nH+]c(C3CC3)n2)CC1 ZINC000333647548 403803361 /nfs/dbraw/zinc/80/33/61/403803361.db2.gz JHAFMDCCIBCCRP-ZBFHGGJFSA-N 2 2 302.422 2.077 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCC[C@@H]([NH+](C)C)C1)C2 ZINC000364550879 404444399 /nfs/dbraw/zinc/44/43/99/404444399.db2.gz IJIKYEYOBFLYFV-ZIAGYGMSSA-N 2 2 318.465 2.191 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCC[C@@H]([NH+](C)C)C1)CC2 ZINC000364550879 404444402 /nfs/dbraw/zinc/44/44/02/404444402.db2.gz IJIKYEYOBFLYFV-ZIAGYGMSSA-N 2 2 318.465 2.191 10 0 DEAELP Cc1nc(N2CC[NH+](C[C@H]3CCOc4ccccc43)CC2)cc[nH+]1 ZINC000373411510 404542030 /nfs/dbraw/zinc/54/20/30/404542030.db2.gz FROOOXPVLLHWRF-MRXNPFEDSA-N 2 2 324.428 2.473 10 0 DEAELP c1cc(C[NH+]2CCOCC2)cc(C[N@@H+]2CCO[C@@H](C3CC3)C2)c1 ZINC000420920464 405405498 /nfs/dbraw/zinc/40/54/98/405405498.db2.gz JSUKFCIJGNORGY-LJQANCHMSA-N 2 2 316.445 2.130 10 0 DEAELP c1cc(C[NH+]2CCOCC2)cc(C[N@H+]2CCO[C@@H](C3CC3)C2)c1 ZINC000420920464 405405501 /nfs/dbraw/zinc/40/55/01/405405501.db2.gz JSUKFCIJGNORGY-LJQANCHMSA-N 2 2 316.445 2.130 10 0 DEAELP CC[NH+]1CCC(NC(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)CC1 ZINC000526983157 406563781 /nfs/dbraw/zinc/56/37/81/406563781.db2.gz XDLXQJMZLJWKRD-CYBMUJFWSA-N 2 2 318.465 2.239 10 0 DEAELP CC[NH+]1CCC(NC(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)CC1 ZINC000526983157 406563784 /nfs/dbraw/zinc/56/37/84/406563784.db2.gz XDLXQJMZLJWKRD-CYBMUJFWSA-N 2 2 318.465 2.239 10 0 DEAELP COc1ccc2c(c1)C[C@](C[NH3+])([N@@H+]1CCSC[C@@H]1C)CC2 ZINC000129637385 196064452 /nfs/dbraw/zinc/06/44/52/196064452.db2.gz OKEHFKQSNCBAEF-SUMWQHHRSA-N 2 2 306.475 2.319 10 0 DEAELP COc1ccc2c(c1)C[C@](C[NH3+])([N@H+]1CCSC[C@@H]1C)CC2 ZINC000129637385 196064454 /nfs/dbraw/zinc/06/44/54/196064454.db2.gz OKEHFKQSNCBAEF-SUMWQHHRSA-N 2 2 306.475 2.319 10 0 DEAELP COC[C@H](C)[C@H](C[NH3+])[N@H+](C)Cc1ccc(Br)cc1 ZINC000131957507 196213447 /nfs/dbraw/zinc/21/34/47/196213447.db2.gz PGNNVULTHCOPIU-FZMZJTMJSA-N 2 2 315.255 2.491 10 0 DEAELP COC[C@H](C)[C@H](C[NH3+])[N@@H+](C)Cc1ccc(Br)cc1 ZINC000131957507 196213449 /nfs/dbraw/zinc/21/34/49/196213449.db2.gz PGNNVULTHCOPIU-FZMZJTMJSA-N 2 2 315.255 2.491 10 0 DEAELP C[C@@H](CNc1nc(N)[nH+]cc1Br)[NH+]1CCCCC1 ZINC000132128090 196228453 /nfs/dbraw/zinc/22/84/53/196228453.db2.gz IKHMSRKTNNPAAT-VIFPVBQESA-N 2 2 314.231 2.108 10 0 DEAELP CCNc1nc(NCC[N@H+](C)C(C)C)c(Br)c[nH+]1 ZINC000132846839 196289726 /nfs/dbraw/zinc/28/97/26/196289726.db2.gz AWOPCZLCNKDUSL-UHFFFAOYSA-N 2 2 316.247 2.423 10 0 DEAELP CCNc1nc(NCC[N@@H+](C)C(C)C)c(Br)c[nH+]1 ZINC000132846839 196289728 /nfs/dbraw/zinc/28/97/28/196289728.db2.gz AWOPCZLCNKDUSL-UHFFFAOYSA-N 2 2 316.247 2.423 10 0 DEAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000398047018 269108519 /nfs/dbraw/zinc/10/85/19/269108519.db2.gz WDVTYVKTVFONIN-ZAWLATJESA-N 3 2 301.478 2.485 10 0 DEAELP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000398047018 269108520 /nfs/dbraw/zinc/10/85/20/269108520.db2.gz WDVTYVKTVFONIN-ZAWLATJESA-N 3 2 301.478 2.485 10 0 DEAELP CC1(C)C[N@@H+]([C@H]2CCCN(c3cccc(F)c3)C2=O)CC[C@H]1[NH3+] ZINC000261841959 278341117 /nfs/dbraw/zinc/34/11/17/278341117.db2.gz QQCUUBJZJXGMHU-JKSUJKDBSA-N 2 2 319.424 2.380 10 0 DEAELP CC1(C)C[N@H+]([C@H]2CCCN(c3cccc(F)c3)C2=O)CC[C@H]1[NH3+] ZINC000261841959 278341119 /nfs/dbraw/zinc/34/11/19/278341119.db2.gz QQCUUBJZJXGMHU-JKSUJKDBSA-N 2 2 319.424 2.380 10 0 DEAELP CC[N@@H+]1CCC[C@@H](NC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)C1 ZINC000247608151 279293447 /nfs/dbraw/zinc/29/34/47/279293447.db2.gz LYZGZCZJTQQDPV-KGLIPLIRSA-N 2 2 305.426 2.131 10 0 DEAELP CC[N@H+]1CCC[C@@H](NC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)C1 ZINC000247608151 279293448 /nfs/dbraw/zinc/29/34/48/279293448.db2.gz LYZGZCZJTQQDPV-KGLIPLIRSA-N 2 2 305.426 2.131 10 0 DEAELP CC1(C)C[N@H+](CC(=O)NC23CC4CC(CC(C4)C2)C3)CC[C@H]1[NH3+] ZINC000261698863 281231747 /nfs/dbraw/zinc/23/17/47/281231747.db2.gz HYQLBATVSNLAEO-LZUXJJCOSA-N 2 2 319.493 2.131 10 0 DEAELP CC1(C)C[N@@H+](CC(=O)NC23CC4CC(CC(C4)C2)C3)CC[C@H]1[NH3+] ZINC000261698863 281231749 /nfs/dbraw/zinc/23/17/49/281231749.db2.gz HYQLBATVSNLAEO-LZUXJJCOSA-N 2 2 319.493 2.131 10 0 DEAELP CN(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)c1ccccc1 ZINC000262037221 289364607 /nfs/dbraw/zinc/36/46/07/289364607.db2.gz YCAYPXKMGYJQPX-WJFTUGDTSA-N 2 2 317.477 2.036 10 0 DEAELP C[NH+](C)[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)c1ccccc1 ZINC000262037221 289364610 /nfs/dbraw/zinc/36/46/10/289364610.db2.gz YCAYPXKMGYJQPX-WJFTUGDTSA-N 2 2 317.477 2.036 10 0 DEAELP Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000183407950 302184383 /nfs/dbraw/zinc/18/43/83/302184383.db2.gz FNPWWPKGFQMQFJ-HKUYNNGSSA-N 2 2 317.477 2.052 10 0 DEAELP Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000183407950 302184385 /nfs/dbraw/zinc/18/43/85/302184385.db2.gz FNPWWPKGFQMQFJ-HKUYNNGSSA-N 2 2 317.477 2.052 10 0 DEAELP Brc1ccc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)nc1 ZINC000574005610 326113441 /nfs/dbraw/zinc/11/34/41/326113441.db2.gz VIWDMRYBHGCEIJ-JTQLQIEISA-N 2 2 307.195 2.214 10 0 DEAELP Brc1ccc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)nc1 ZINC000574005610 326113443 /nfs/dbraw/zinc/11/34/43/326113443.db2.gz VIWDMRYBHGCEIJ-JTQLQIEISA-N 2 2 307.195 2.214 10 0 DEAELP CCCCOC[C@H](O)C[NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000398014630 337303916 /nfs/dbraw/zinc/30/39/16/337303916.db2.gz FVCJQJABFWECGI-QXAKKESOSA-N 2 2 320.477 2.417 10 0 DEAELP CCCCOC[C@H](O)C[NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000398014630 337303917 /nfs/dbraw/zinc/30/39/17/337303917.db2.gz FVCJQJABFWECGI-QXAKKESOSA-N 2 2 320.477 2.417 10 0 DEAELP CCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000105897270 520667196 /nfs/dbraw/zinc/66/71/96/520667196.db2.gz LCJLKVIEKQWQAT-GJZGRUSLSA-N 2 2 306.454 2.387 10 0 DEAELP CCCCNC(=O)[C@H](C)[N@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000105897270 520667204 /nfs/dbraw/zinc/66/72/04/520667204.db2.gz LCJLKVIEKQWQAT-GJZGRUSLSA-N 2 2 306.454 2.387 10 0 DEAELP Cn1c[nH+]cc1[C@@H]1C[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)CCO1 ZINC000328655431 534815188 /nfs/dbraw/zinc/81/51/88/534815188.db2.gz YKHXFAKGCOLNCY-XVLPMQGWSA-N 2 2 305.422 2.043 10 0 DEAELP Cn1c[nH+]cc1[C@H]1C[C@H]([NH2+]Cc2c[nH]nc2C(C)(C)C)CCO1 ZINC000328626403 534815592 /nfs/dbraw/zinc/81/55/92/534815592.db2.gz FALYDPFDSJMGHD-UKRRQHHQSA-N 2 2 317.437 2.451 10 0 DEAELP Cn1c[nH+]cc1[C@@H]1C[C@H]([NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)CCO1 ZINC000328655429 534815977 /nfs/dbraw/zinc/81/59/77/534815977.db2.gz YKHXFAKGCOLNCY-HUHANWACSA-N 2 2 305.422 2.043 10 0 DEAELP CC1(C)C[N@H+](CC(=O)N[C@@H]2CCCc3ccccc32)CC[C@H]1[NH3+] ZINC000261820699 535352455 /nfs/dbraw/zinc/35/24/55/535352455.db2.gz PKTWBUCMIMWALP-IAGOWNOFSA-N 2 2 315.461 2.239 10 0 DEAELP CC1(C)C[N@@H+](CC(=O)N[C@@H]2CCCc3ccccc32)CC[C@H]1[NH3+] ZINC000261820699 535352459 /nfs/dbraw/zinc/35/24/59/535352459.db2.gz PKTWBUCMIMWALP-IAGOWNOFSA-N 2 2 315.461 2.239 10 0 DEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@H](O)CC(F)(F)F)C1 ZINC000189218391 536174400 /nfs/dbraw/zinc/17/44/00/536174400.db2.gz BCIAMICAYRAERD-VXGBXAGGSA-N 2 2 305.344 2.396 10 0 DEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@H](O)CC(F)(F)F)C1 ZINC000189218391 536174404 /nfs/dbraw/zinc/17/44/04/536174404.db2.gz BCIAMICAYRAERD-VXGBXAGGSA-N 2 2 305.344 2.396 10 0 DEAELP COc1ccc(C)cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261925045 536813277 /nfs/dbraw/zinc/81/32/77/536813277.db2.gz ZDWYQLVYRFYWNC-CJNGLKHVSA-N 2 2 319.449 2.390 10 0 DEAELP COc1ccc(C)cc1NC(=O)[C@@H](C)[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261925045 536813281 /nfs/dbraw/zinc/81/32/81/536813281.db2.gz ZDWYQLVYRFYWNC-CJNGLKHVSA-N 2 2 319.449 2.390 10 0 DEAELP C[C@@H]1C[N@H+](Cc2cnc(NC(=O)C(C)(C)C)s2)CC[C@@H]1[NH3+] ZINC000725272075 563577510 /nfs/dbraw/zinc/57/75/10/563577510.db2.gz LYFVFQSVPLBSPT-PWSUYJOCSA-N 2 2 310.467 2.297 10 0 DEAELP C[C@@H]1C[N@@H+](Cc2cnc(NC(=O)C(C)(C)C)s2)CC[C@@H]1[NH3+] ZINC000725272075 563577512 /nfs/dbraw/zinc/57/75/12/563577512.db2.gz LYFVFQSVPLBSPT-PWSUYJOCSA-N 2 2 310.467 2.297 10 0 DEAELP Cn1ccnc1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000309901815 625365340 /nfs/dbraw/zinc/36/53/40/625365340.db2.gz INQWEGVXYACDER-FGTMMUONSA-N 2 2 310.445 2.420 10 0 DEAELP Cn1ccnc1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000309901815 625365346 /nfs/dbraw/zinc/36/53/46/625365346.db2.gz INQWEGVXYACDER-FGTMMUONSA-N 2 2 310.445 2.420 10 0 DEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CN1C(=O)SC(C)(C)C1=O ZINC000132761463 684212634 /nfs/dbraw/zinc/21/26/34/684212634.db2.gz NQWCCDKPVNMZHH-LBPRGKRZSA-N 2 2 322.434 2.087 10 0 DEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CN1C(=O)SC(C)(C)C1=O ZINC000132761463 684212635 /nfs/dbraw/zinc/21/26/35/684212635.db2.gz NQWCCDKPVNMZHH-LBPRGKRZSA-N 2 2 322.434 2.087 10 0 DEAELP CCOC(=O)[C@H](F)[C@H](C)[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000134747545 684229867 /nfs/dbraw/zinc/22/98/67/684229867.db2.gz WNNZOVQBUXHFHT-XHDPSFHLSA-N 2 2 314.376 2.267 10 0 DEAELP C[C@H]1C[C@@H]([NH2+]CC[NH+]2CCCC2)CN(C(=O)OC(C)(C)C)C1 ZINC000401719637 801844759 /nfs/dbraw/zinc/84/47/59/801844759.db2.gz MVVJIWABFBIGBD-LSDHHAIUSA-N 2 2 311.470 2.317 10 0 DEAELP CCC[N@@H+]1CC[C@H]([NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000711484885 1087134907 /nfs/dbraw/zinc/13/49/07/1087134907.db2.gz NUMDSFVXSQMHDH-SOUVJXGZSA-N 2 2 311.470 2.364 10 0 DEAELP CCC[N@H+]1CC[C@H]([NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000711484885 1087134913 /nfs/dbraw/zinc/13/49/13/1087134913.db2.gz NUMDSFVXSQMHDH-SOUVJXGZSA-N 2 2 311.470 2.364 10 0 DEAELP Cc1noc(C)c1C[NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000328644014 231282975 /nfs/dbraw/zinc/28/29/75/231282975.db2.gz RNHRURMTQPPIHH-RDJZCZTQSA-N 2 2 300.406 2.469 10 0 DEAELP Cc1noc(C)c1C[NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000328644014 231282979 /nfs/dbraw/zinc/28/29/79/231282979.db2.gz RNHRURMTQPPIHH-RDJZCZTQSA-N 2 2 300.406 2.469 10 0 DEAELP CCN(C(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1)c1ccccc1 ZINC000173525326 282191549 /nfs/dbraw/zinc/19/15/49/282191549.db2.gz MLQDKDWIIRHWCG-NVXWUHKLSA-N 2 2 303.450 2.454 10 0 DEAELP CCN(C(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1)c1ccccc1 ZINC000173525326 282191551 /nfs/dbraw/zinc/19/15/51/282191551.db2.gz MLQDKDWIIRHWCG-NVXWUHKLSA-N 2 2 303.450 2.454 10 0 DEAELP CCN(C(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000173525326 282191556 /nfs/dbraw/zinc/19/15/56/282191556.db2.gz MLQDKDWIIRHWCG-NVXWUHKLSA-N 2 2 303.450 2.454 10 0 DEAELP CCN(C(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000173525326 282191559 /nfs/dbraw/zinc/19/15/59/282191559.db2.gz MLQDKDWIIRHWCG-NVXWUHKLSA-N 2 2 303.450 2.454 10 0 DEAELP c1ccc(NC[C@@H]2CC[N@@H+](CCO[C@@H]3CCCCO3)C2)[nH+]c1 ZINC000181712662 199343074 /nfs/dbraw/zinc/34/30/74/199343074.db2.gz ASCRIVCOWMTXMB-DOTOQJQBSA-N 2 2 305.422 2.359 10 0 DEAELP c1ccc(NC[C@@H]2CC[N@H+](CCO[C@@H]3CCCCO3)C2)[nH+]c1 ZINC000181712662 199343075 /nfs/dbraw/zinc/34/30/75/199343075.db2.gz ASCRIVCOWMTXMB-DOTOQJQBSA-N 2 2 305.422 2.359 10 0 DEAELP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH2+][C@@H]3CCCOC3)C2)cc1 ZINC000191835618 539703757 /nfs/dbraw/zinc/70/37/57/539703757.db2.gz DNEOCZZVLJFULS-MSOLQXFVSA-N 2 2 304.434 2.046 10 0 DEAELP c1ccc(C[N@H+]2CCCO[C@@H](C[NH2+][C@@H]3CCCOC3)C2)cc1 ZINC000191835618 539703761 /nfs/dbraw/zinc/70/37/61/539703761.db2.gz DNEOCZZVLJFULS-MSOLQXFVSA-N 2 2 304.434 2.046 10 0 DEAELP CC(C)CCNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000073426877 191315821 /nfs/dbraw/zinc/31/58/21/191315821.db2.gz PAOWZDWZQMNHCW-UHFFFAOYSA-N 2 2 324.513 2.282 10 0 DEAELP c1[nH+]cn2ccc(-c3noc([C@@H]4CCn5c[nH+]cc5C4)n3)cc12 ZINC000351068076 356606505 /nfs/dbraw/zinc/60/65/05/356606505.db2.gz ABGIJRLQEPACAC-GFCCVEGCSA-N 2 2 306.329 2.311 10 0 DEAELP CCc1nn(C)c(C[NH2+][C@@H](C)CC[NH+](C)C)c1Br ZINC000089317949 192766398 /nfs/dbraw/zinc/76/63/98/192766398.db2.gz WABHKBMUQDTRJC-JTQLQIEISA-N 2 2 317.275 2.175 10 0 DEAELP CC(C)OC(=O)CC[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195296544 201375591 /nfs/dbraw/zinc/37/55/91/201375591.db2.gz CFRPYEYWBMYSFH-KRWDZBQOSA-N 2 2 319.449 2.177 10 0 DEAELP CC(C)OC(=O)CC[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195296544 201375594 /nfs/dbraw/zinc/37/55/94/201375594.db2.gz CFRPYEYWBMYSFH-KRWDZBQOSA-N 2 2 319.449 2.177 10 0 DEAELP CC(C)OC(=O)CC[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195296544 201375598 /nfs/dbraw/zinc/37/55/98/201375598.db2.gz CFRPYEYWBMYSFH-KRWDZBQOSA-N 2 2 319.449 2.177 10 0 DEAELP CC(C)OC(=O)CC[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195296544 201375599 /nfs/dbraw/zinc/37/55/99/201375599.db2.gz CFRPYEYWBMYSFH-KRWDZBQOSA-N 2 2 319.449 2.177 10 0 DEAELP CCN(CC)C(=O)C[C@H](C[NH3+])[N@H+](Cc1ccsc1)C1CC1 ZINC000091322763 193040805 /nfs/dbraw/zinc/04/08/05/193040805.db2.gz YGIZGDLOOACLMR-OAHLLOKOSA-N 2 2 309.479 2.298 10 0 DEAELP CCN(CC)C(=O)C[C@H](C[NH3+])[N@@H+](Cc1ccsc1)C1CC1 ZINC000091322763 193040808 /nfs/dbraw/zinc/04/08/08/193040808.db2.gz YGIZGDLOOACLMR-OAHLLOKOSA-N 2 2 309.479 2.298 10 0 DEAELP CCS(=O)(=O)CCC[C@H]([NH2+]C)C1([NH+](C)C)CCCCC1 ZINC000091647378 193085308 /nfs/dbraw/zinc/08/53/08/193085308.db2.gz FIMJIDQJLJBTOJ-AWEZNQCLSA-N 2 2 304.500 2.054 10 0 DEAELP C[C@H]1C[C@@H]([NH+](C)Cc2cn(C)nc2-c2cccnc2)CC[N@@H+]1C ZINC000093644140 193280691 /nfs/dbraw/zinc/28/06/91/193280691.db2.gz VSMMUDPISLVJDK-YOEHRIQHSA-N 2 2 313.449 2.397 10 0 DEAELP C[C@H]1C[C@@H]([NH+](C)Cc2cn(C)nc2-c2cccnc2)CC[N@H+]1C ZINC000093644140 193280693 /nfs/dbraw/zinc/28/06/93/193280693.db2.gz VSMMUDPISLVJDK-YOEHRIQHSA-N 2 2 313.449 2.397 10 0 DEAELP C[C@H]1C[C@@H]([N@H+](C)Cc2cn(C)nc2-c2cccnc2)CC[NH+]1C ZINC000093644140 193280695 /nfs/dbraw/zinc/28/06/95/193280695.db2.gz VSMMUDPISLVJDK-YOEHRIQHSA-N 2 2 313.449 2.397 10 0 DEAELP C[C@H]1C[C@@H]([N@@H+](C)Cc2cn(C)nc2-c2cccnc2)CC[NH+]1C ZINC000093644140 193280697 /nfs/dbraw/zinc/28/06/97/193280697.db2.gz VSMMUDPISLVJDK-YOEHRIQHSA-N 2 2 313.449 2.397 10 0 DEAELP C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)[C@@H]1C[N@H+](C)CCN1C ZINC000093894380 193324722 /nfs/dbraw/zinc/32/47/22/193324722.db2.gz TUTNGVHBTVLJPB-KBPBESRZSA-N 2 2 301.356 2.212 10 0 DEAELP C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)[C@@H]1C[N@@H+](C)CCN1C ZINC000093894380 193324723 /nfs/dbraw/zinc/32/47/23/193324723.db2.gz TUTNGVHBTVLJPB-KBPBESRZSA-N 2 2 301.356 2.212 10 0 DEAELP C[NH2+][C@H](Cc1cc(Cl)ccc1Cl)[C@H]1C[N@H+](C)CCN1C ZINC000093894558 193325306 /nfs/dbraw/zinc/32/53/06/193325306.db2.gz RSHWNBYEFZRBDZ-HUUCEWRRSA-N 2 2 316.276 2.370 10 0 DEAELP C[NH2+][C@H](Cc1cc(Cl)ccc1Cl)[C@H]1C[N@@H+](C)CCN1C ZINC000093894558 193325308 /nfs/dbraw/zinc/32/53/08/193325308.db2.gz RSHWNBYEFZRBDZ-HUUCEWRRSA-N 2 2 316.276 2.370 10 0 DEAELP CCC[NH2+][C@@H](Cc1csc(C)n1)[C@H]1C[N@H+](CCC)CCO1 ZINC000093921241 193328277 /nfs/dbraw/zinc/32/82/77/193328277.db2.gz QWIMKUVXBSQAIT-JKSUJKDBSA-N 2 2 311.495 2.473 10 0 DEAELP CCC[NH2+][C@@H](Cc1csc(C)n1)[C@H]1C[N@@H+](CCC)CCO1 ZINC000093921241 193328279 /nfs/dbraw/zinc/32/82/79/193328279.db2.gz QWIMKUVXBSQAIT-JKSUJKDBSA-N 2 2 311.495 2.473 10 0 DEAELP [NH3+]CCc1cn(CCOc2ccc(Br)cc2)c[nH+]1 ZINC000094529549 193376650 /nfs/dbraw/zinc/37/66/50/193376650.db2.gz GFBRNUMXPFWRQL-UHFFFAOYSA-N 2 2 310.195 2.226 10 0 DEAELP CC[NH2+][C@H](C)[C@@H]1CCC[N@@H+]([C@@H]2CCC[C@H](S(C)(=O)=O)C2)C1 ZINC000094633993 193385269 /nfs/dbraw/zinc/38/52/69/193385269.db2.gz NWYZEQKKEYGLRP-FPCVCCKLSA-N 2 2 316.511 2.052 10 0 DEAELP CC[NH2+][C@H](C)[C@@H]1CCC[N@H+]([C@@H]2CCC[C@H](S(C)(=O)=O)C2)C1 ZINC000094633993 193385271 /nfs/dbraw/zinc/38/52/71/193385271.db2.gz NWYZEQKKEYGLRP-FPCVCCKLSA-N 2 2 316.511 2.052 10 0 DEAELP C[N@H+](Cc1csc(Br)c1)C1(C[NH3+])CCOCC1 ZINC000042360795 183258434 /nfs/dbraw/zinc/25/84/34/183258434.db2.gz NNCDTNRLFSGDAP-UHFFFAOYSA-N 2 2 319.268 2.450 10 0 DEAELP C[N@@H+](Cc1csc(Br)c1)C1(C[NH3+])CCOCC1 ZINC000042360795 183258435 /nfs/dbraw/zinc/25/84/35/183258435.db2.gz NNCDTNRLFSGDAP-UHFFFAOYSA-N 2 2 319.268 2.450 10 0 DEAELP CC[C@@H]([NH3+])[C@H](c1sccc1C)[N@@H+]1CCCC[C@@H]1C(=O)NC ZINC000043248711 183346446 /nfs/dbraw/zinc/34/64/46/183346446.db2.gz XKHAEGZQYTWBNT-MGPQQGTHSA-N 2 2 309.479 2.435 10 0 DEAELP CC[C@@H]([NH3+])[C@H](c1sccc1C)[N@H+]1CCCC[C@@H]1C(=O)NC ZINC000043248711 183346449 /nfs/dbraw/zinc/34/64/49/183346449.db2.gz XKHAEGZQYTWBNT-MGPQQGTHSA-N 2 2 309.479 2.435 10 0 DEAELP c1cn(-c2ccc(C[N@@H+]3CCO[C@]4(CCCOC4)C3)cc2)c[nH+]1 ZINC000285285004 218366143 /nfs/dbraw/zinc/36/61/43/218366143.db2.gz JSRGQQLFULTHKQ-GOSISDBHSA-N 2 2 313.401 2.254 10 0 DEAELP c1cn(-c2ccc(C[N@H+]3CCO[C@]4(CCCOC4)C3)cc2)c[nH+]1 ZINC000285285004 218366146 /nfs/dbraw/zinc/36/61/46/218366146.db2.gz JSRGQQLFULTHKQ-GOSISDBHSA-N 2 2 313.401 2.254 10 0 DEAELP C[NH+](C)[C@@H](C(=O)NCCc1[nH+]cc2ccccn21)c1ccccc1 ZINC000062509292 184240694 /nfs/dbraw/zinc/24/06/94/184240694.db2.gz NKHMBSBEVJWRIZ-GOSISDBHSA-N 2 2 322.412 2.296 10 0 DEAELP CCNc1cc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)nc(SC)[nH+]1 ZINC000157403728 197184135 /nfs/dbraw/zinc/18/41/35/197184135.db2.gz YJWIJSJLJCJIIG-RYUDHWBXSA-N 2 2 307.467 2.303 10 0 DEAELP CCNc1cc(N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)nc(SC)[nH+]1 ZINC000157403728 197184137 /nfs/dbraw/zinc/18/41/37/197184137.db2.gz YJWIJSJLJCJIIG-RYUDHWBXSA-N 2 2 307.467 2.303 10 0 DEAELP Cc1cc[nH+]c(N(C)C[C@@H]2C[C@@H](F)C[N@@H+]2Cc2cnn(C)c2)c1 ZINC000357684810 133093489 /nfs/dbraw/zinc/09/34/89/133093489.db2.gz LXEZCBZXBRQFBC-CVEARBPZSA-N 2 2 317.412 2.172 10 0 DEAELP Cc1cc[nH+]c(N(C)C[C@@H]2C[C@@H](F)C[N@H+]2Cc2cnn(C)c2)c1 ZINC000357684810 133093490 /nfs/dbraw/zinc/09/34/90/133093490.db2.gz LXEZCBZXBRQFBC-CVEARBPZSA-N 2 2 317.412 2.172 10 0 DEAELP CC[C@@H](C)CC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000189773282 145033933 /nfs/dbraw/zinc/03/39/33/145033933.db2.gz CIOKLCXTQPHXNH-VPSFDDGASA-N 2 2 307.482 2.192 10 0 DEAELP CC[C@@H](C)CC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000189773282 145033935 /nfs/dbraw/zinc/03/39/35/145033935.db2.gz CIOKLCXTQPHXNH-VPSFDDGASA-N 2 2 307.482 2.192 10 0 DEAELP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC(CC(N)=O)CC1 ZINC000191944850 145067961 /nfs/dbraw/zinc/06/79/61/145067961.db2.gz BNAJIPLPVHTANL-UHFFFAOYSA-N 2 2 312.417 2.268 10 0 DEAELP CC(C)CCN(CCC(C)C)C(=O)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193605001 145088123 /nfs/dbraw/zinc/08/81/23/145088123.db2.gz LRCTWUOVHITBNK-HDICACEKSA-N 2 2 323.525 2.401 10 0 DEAELP CC(C)CCN(CCC(C)C)C(=O)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193605001 145088125 /nfs/dbraw/zinc/08/81/25/145088125.db2.gz LRCTWUOVHITBNK-HDICACEKSA-N 2 2 323.525 2.401 10 0 DEAELP CC(C)CCN(CCC(C)C)C(=O)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193605001 145088126 /nfs/dbraw/zinc/08/81/26/145088126.db2.gz LRCTWUOVHITBNK-HDICACEKSA-N 2 2 323.525 2.401 10 0 DEAELP CC(C)CCN(CCC(C)C)C(=O)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193605001 145088128 /nfs/dbraw/zinc/08/81/28/145088128.db2.gz LRCTWUOVHITBNK-HDICACEKSA-N 2 2 323.525 2.401 10 0 DEAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N(C)Cc2ccccc2)[C@@H](C)C1 ZINC000245440971 145092400 /nfs/dbraw/zinc/09/24/00/145092400.db2.gz VCWKNBLHNLHKDJ-FUHWJXTLSA-N 2 2 317.477 2.307 10 0 DEAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N(C)Cc2ccccc2)[C@@H](C)C1 ZINC000245440971 145092401 /nfs/dbraw/zinc/09/24/01/145092401.db2.gz VCWKNBLHNLHKDJ-FUHWJXTLSA-N 2 2 317.477 2.307 10 0 DEAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N(C)Cc2ccccc2)[C@@H](C)C1 ZINC000245440971 145092402 /nfs/dbraw/zinc/09/24/02/145092402.db2.gz VCWKNBLHNLHKDJ-FUHWJXTLSA-N 2 2 317.477 2.307 10 0 DEAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N(C)Cc2ccccc2)[C@@H](C)C1 ZINC000245440971 145092403 /nfs/dbraw/zinc/09/24/03/145092403.db2.gz VCWKNBLHNLHKDJ-FUHWJXTLSA-N 2 2 317.477 2.307 10 0 DEAELP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)Nc3ccc(Cl)cn3)CC[C@H]21 ZINC000246843377 145116466 /nfs/dbraw/zinc/11/64/66/145116466.db2.gz KMKMQMAHEOPZLH-GXTWGEPZSA-N 2 2 322.840 2.090 10 0 DEAELP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)Nc3ccc(Cl)cn3)CC[C@H]21 ZINC000246843377 145116467 /nfs/dbraw/zinc/11/64/67/145116467.db2.gz KMKMQMAHEOPZLH-GXTWGEPZSA-N 2 2 322.840 2.090 10 0 DEAELP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)Nc3ccc(Cl)cn3)CC[C@H]21 ZINC000246843377 145116469 /nfs/dbraw/zinc/11/64/69/145116469.db2.gz KMKMQMAHEOPZLH-GXTWGEPZSA-N 2 2 322.840 2.090 10 0 DEAELP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)Nc3ccc(Cl)cn3)CC[C@H]21 ZINC000246843377 145116471 /nfs/dbraw/zinc/11/64/71/145116471.db2.gz KMKMQMAHEOPZLH-GXTWGEPZSA-N 2 2 322.840 2.090 10 0 DEAELP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cnn(-c4ccccc4)n3)CC[C@H]21 ZINC000248161579 145149379 /nfs/dbraw/zinc/14/93/79/145149379.db2.gz SGFNAQZOKAWWDR-MAUKXSAKSA-N 2 2 311.433 2.183 10 0 DEAELP C[N@H+]1CCC[C@H]2C[NH+](Cc3cnn(-c4ccccc4)n3)CC[C@H]21 ZINC000248161579 145149380 /nfs/dbraw/zinc/14/93/80/145149380.db2.gz SGFNAQZOKAWWDR-MAUKXSAKSA-N 2 2 311.433 2.183 10 0 DEAELP C[NH+]1CCC[C@H]2C[N@H+](Cc3cnn(-c4ccccc4)n3)CC[C@H]21 ZINC000248161579 145149381 /nfs/dbraw/zinc/14/93/81/145149381.db2.gz SGFNAQZOKAWWDR-MAUKXSAKSA-N 2 2 311.433 2.183 10 0 DEAELP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cnn(-c4ccccc4)n3)CC[C@H]21 ZINC000248161579 145149383 /nfs/dbraw/zinc/14/93/83/145149383.db2.gz SGFNAQZOKAWWDR-MAUKXSAKSA-N 2 2 311.433 2.183 10 0 DEAELP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1cnccn1 ZINC000248201107 145149786 /nfs/dbraw/zinc/14/97/86/145149786.db2.gz YSNRKOGUUCXRPV-YQQAZPJKSA-N 2 2 311.433 2.433 10 0 DEAELP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1cnccn1 ZINC000248201107 145149787 /nfs/dbraw/zinc/14/97/87/145149787.db2.gz YSNRKOGUUCXRPV-YQQAZPJKSA-N 2 2 311.433 2.433 10 0 DEAELP Cc1cccc2[nH+]c(CN3CC[NH2+]C[C@@H]3c3cccnc3)cn21 ZINC000261663647 145214996 /nfs/dbraw/zinc/21/49/96/145214996.db2.gz HAZMNTCRQZHWCI-QGZVFWFLSA-N 2 2 307.401 2.184 10 0 DEAELP C[C@@H]1Cc2ccccc2N1C(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261701347 145218403 /nfs/dbraw/zinc/21/84/03/145218403.db2.gz KCZPTEMQKFUGHS-KTFSGNIMSA-N 2 2 313.445 2.179 10 0 DEAELP C[C@@H]1Cc2ccccc2N1C(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261701347 145218404 /nfs/dbraw/zinc/21/84/04/145218404.db2.gz KCZPTEMQKFUGHS-KTFSGNIMSA-N 2 2 313.445 2.179 10 0 DEAELP C[C@]1(C[NH+]2CCN(C(=O)CCC3CCCC3)CC2)CC[NH2+]C1 ZINC000261887235 145237705 /nfs/dbraw/zinc/23/77/05/145237705.db2.gz SFBFRZNYUMROSD-SFHVURJKSA-N 2 2 307.482 2.101 10 0 DEAELP CCN(CC)c1ccc(N[C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)c[nH+]1 ZINC000261894336 145238246 /nfs/dbraw/zinc/23/82/46/145238246.db2.gz GYMFVIRCDLZNPQ-BRWVUGGUSA-N 2 2 318.465 2.497 10 0 DEAELP CCN(CC)c1ccc(N[C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)c[nH+]1 ZINC000261894346 145238453 /nfs/dbraw/zinc/23/84/53/145238453.db2.gz GYMFVIRCDLZNPQ-ZACQAIPSSA-N 2 2 318.465 2.497 10 0 DEAELP C[NH2+]CCC(=O)N1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000262365649 145279384 /nfs/dbraw/zinc/27/93/84/145279384.db2.gz KZNMQZDOPCBNIH-ZDUSSCGKSA-N 2 2 309.841 2.155 10 0 DEAELP CC(C)Cn1cc[nH+]c1CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000262667339 145299133 /nfs/dbraw/zinc/29/91/33/145299133.db2.gz KZZMAOWMGIONFB-KKUMJFAQSA-N 2 2 304.438 2.076 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCC(C)(C)C[NH+](C)C)C2 ZINC000372394455 148202674 /nfs/dbraw/zinc/20/26/74/148202674.db2.gz NTLNFSVMDLFYKZ-ZDUSSCGKSA-N 2 2 320.481 2.342 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCC(C)(C)C[NH+](C)C)CC2 ZINC000372394455 148202675 /nfs/dbraw/zinc/20/26/75/148202675.db2.gz NTLNFSVMDLFYKZ-ZDUSSCGKSA-N 2 2 320.481 2.342 10 0 DEAELP COCC[N@H+](C)CCCNc1cc(C)[nH+]c(-c2ccncc2)n1 ZINC000112074233 401730071 /nfs/dbraw/zinc/73/00/71/401730071.db2.gz NCHMXBIWFHYBKL-UHFFFAOYSA-N 2 2 315.421 2.227 10 0 DEAELP COCC[N@@H+](C)CCCNc1cc(C)[nH+]c(-c2ccncc2)n1 ZINC000112074233 401730074 /nfs/dbraw/zinc/73/00/74/401730074.db2.gz NCHMXBIWFHYBKL-UHFFFAOYSA-N 2 2 315.421 2.227 10 0 DEAELP CCc1c(C)[nH+]c(-c2ccc(OC)cc2)nc1N1CC[NH2+]CC1 ZINC000006740009 401732140 /nfs/dbraw/zinc/73/21/40/401732140.db2.gz OYCRURNNJLHDNC-UHFFFAOYSA-N 2 2 312.417 2.433 10 0 DEAELP Cn1ccnc1[C@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)C1CC1 ZINC000127569137 401740561 /nfs/dbraw/zinc/74/05/61/401740561.db2.gz PACHEDHGQJQZAG-OAHLLOKOSA-N 2 2 308.389 2.242 10 0 DEAELP CCOCC[N@@H+]1CCN(c2cc(C)[nH+]c(C3CC3)n2)C[C@@H]1C ZINC000116261028 401847220 /nfs/dbraw/zinc/84/72/20/401847220.db2.gz PFDAPTFZOVDTCU-AWEZNQCLSA-N 2 2 304.438 2.209 10 0 DEAELP CCOCC[N@H+]1CCN(c2cc(C)[nH+]c(C3CC3)n2)C[C@@H]1C ZINC000116261028 401847221 /nfs/dbraw/zinc/84/72/21/401847221.db2.gz PFDAPTFZOVDTCU-AWEZNQCLSA-N 2 2 304.438 2.209 10 0 DEAELP C[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000130034551 401816063 /nfs/dbraw/zinc/81/60/63/401816063.db2.gz ASNVWYRAHLZSNY-GJZGRUSLSA-N 2 2 311.470 2.317 10 0 DEAELP C[N@H+]1CCC[C@H]1C[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000130034551 401816066 /nfs/dbraw/zinc/81/60/66/401816066.db2.gz ASNVWYRAHLZSNY-GJZGRUSLSA-N 2 2 311.470 2.317 10 0 DEAELP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1CCCn2cc[nH+]c21 ZINC000080592705 401890850 /nfs/dbraw/zinc/89/08/50/401890850.db2.gz PACXHIMJNYGREC-QKPAOTATSA-N 2 2 318.465 2.243 10 0 DEAELP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1CCCn2cc[nH+]c21 ZINC000080592705 401890854 /nfs/dbraw/zinc/89/08/54/401890854.db2.gz PACXHIMJNYGREC-QKPAOTATSA-N 2 2 318.465 2.243 10 0 DEAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2nnc(-c3ccco3)o2)[C@H](C)C1 ZINC000081096576 401893745 /nfs/dbraw/zinc/89/37/45/401893745.db2.gz JSGKYQRHYGATQI-OLZOCXBDSA-N 2 2 304.394 2.492 10 0 DEAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2nnc(-c3ccco3)o2)[C@H](C)C1 ZINC000081096576 401893746 /nfs/dbraw/zinc/89/37/46/401893746.db2.gz JSGKYQRHYGATQI-OLZOCXBDSA-N 2 2 304.394 2.492 10 0 DEAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2nnc(-c3ccco3)o2)[C@H](C)C1 ZINC000081096576 401893748 /nfs/dbraw/zinc/89/37/48/401893748.db2.gz JSGKYQRHYGATQI-OLZOCXBDSA-N 2 2 304.394 2.492 10 0 DEAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2nnc(-c3ccco3)o2)[C@H](C)C1 ZINC000081096576 401893751 /nfs/dbraw/zinc/89/37/51/401893751.db2.gz JSGKYQRHYGATQI-OLZOCXBDSA-N 2 2 304.394 2.492 10 0 DEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000085362095 401914279 /nfs/dbraw/zinc/91/42/79/401914279.db2.gz GVFWJLXZYQTYMI-AWEZNQCLSA-N 2 2 323.485 2.315 10 0 DEAELP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)CC2 ZINC000151273436 402027384 /nfs/dbraw/zinc/02/73/84/402027384.db2.gz LSWRRADQHHKCFR-CRAIPNDOSA-N 2 2 304.434 2.119 10 0 DEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)N2CCC(C)CC2)C1 ZINC000105896597 402210436 /nfs/dbraw/zinc/21/04/36/402210436.db2.gz SPJCODNHAYQHCN-MRXNPFEDSA-N 2 2 318.465 2.341 10 0 DEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)N2CCC(C)CC2)C1 ZINC000105896597 402210439 /nfs/dbraw/zinc/21/04/39/402210439.db2.gz SPJCODNHAYQHCN-MRXNPFEDSA-N 2 2 318.465 2.341 10 0 DEAELP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCc1[nH+]ccn1CC(C)C ZINC000177545476 402414373 /nfs/dbraw/zinc/41/43/73/402414373.db2.gz VHZQDAHHVRQWIK-HNNXBMFYSA-N 2 2 321.469 2.165 10 0 DEAELP CC[N@H+]1CCC[C@H]1CN(C)C(=O)NCc1[nH+]ccn1CC(C)C ZINC000177545476 402414376 /nfs/dbraw/zinc/41/43/76/402414376.db2.gz VHZQDAHHVRQWIK-HNNXBMFYSA-N 2 2 321.469 2.165 10 0 DEAELP [NH3+]CCCCCCC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000237990798 402430572 /nfs/dbraw/zinc/43/05/72/402430572.db2.gz YUODLGWONBLFEU-UHFFFAOYSA-N 2 2 314.433 2.457 10 0 DEAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc2c(c1)OCCO2 ZINC000163377578 402448183 /nfs/dbraw/zinc/44/81/83/402448183.db2.gz QVFODUDQHUCQLX-GDBMZVCRSA-N 2 2 320.433 2.219 10 0 DEAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc2c(c1)OCCO2 ZINC000163377578 402448186 /nfs/dbraw/zinc/44/81/86/402448186.db2.gz QVFODUDQHUCQLX-GDBMZVCRSA-N 2 2 320.433 2.219 10 0 DEAELP CC(C)n1nnnc1C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180662225 402622648 /nfs/dbraw/zinc/62/26/48/402622648.db2.gz LXGHOPQDOQIBRM-CYBMUJFWSA-N 2 2 311.393 2.291 10 0 DEAELP Cc1c([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)cnn1C(C)C ZINC000191202209 402650330 /nfs/dbraw/zinc/65/03/30/402650330.db2.gz XSXYBMKIKFYRBA-HOCLYGCPSA-N 2 2 308.470 2.270 10 0 DEAELP c1[nH+]c([C@H]2CCC[N@@H+](C[C@H]3CCC[NH2+]C3)C2)n2c1CCCC2 ZINC000261814012 402717699 /nfs/dbraw/zinc/71/76/99/402717699.db2.gz PZKSCXJVZZNGEA-HOTGVXAUSA-N 3 2 302.466 2.398 10 0 DEAELP c1[nH+]c([C@H]2CCC[N@H+](C[C@H]3CCC[NH2+]C3)C2)n2c1CCCC2 ZINC000261814012 402717702 /nfs/dbraw/zinc/71/77/02/402717702.db2.gz PZKSCXJVZZNGEA-HOTGVXAUSA-N 3 2 302.466 2.398 10 0 DEAELP Cc1occc1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000172753241 402673496 /nfs/dbraw/zinc/67/34/96/402673496.db2.gz MUTGZCVLLCRUOK-UHFFFAOYSA-N 2 2 319.449 2.268 10 0 DEAELP CCC[C@@H](C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000172751027 402673624 /nfs/dbraw/zinc/67/36/24/402673624.db2.gz HRQWIQYEGMGNSE-MRXNPFEDSA-N 2 2 309.498 2.489 10 0 DEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NCc2ccc(F)cc2)[C@H](C)C1 ZINC000174775537 402756763 /nfs/dbraw/zinc/75/67/63/402756763.db2.gz DXKSLLPEGUZQFI-PBHICJAKSA-N 2 2 321.440 2.104 10 0 DEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NCc2ccc(F)cc2)[C@H](C)C1 ZINC000174775537 402756764 /nfs/dbraw/zinc/75/67/64/402756764.db2.gz DXKSLLPEGUZQFI-PBHICJAKSA-N 2 2 321.440 2.104 10 0 DEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NCc2ccc(F)cc2)[C@H](C)C1 ZINC000174775537 402756767 /nfs/dbraw/zinc/75/67/67/402756767.db2.gz DXKSLLPEGUZQFI-PBHICJAKSA-N 2 2 321.440 2.104 10 0 DEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NCc2ccc(F)cc2)[C@H](C)C1 ZINC000174775537 402756771 /nfs/dbraw/zinc/75/67/71/402756771.db2.gz DXKSLLPEGUZQFI-PBHICJAKSA-N 2 2 321.440 2.104 10 0 DEAELP Cc1csc(=O)n1CC[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000195515792 402848666 /nfs/dbraw/zinc/84/86/66/402848666.db2.gz JPLULOCTDSJHJT-AWEZNQCLSA-N 2 2 318.446 2.047 10 0 DEAELP Cc1csc(=O)n1CC[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000195515792 402848669 /nfs/dbraw/zinc/84/86/69/402848669.db2.gz JPLULOCTDSJHJT-AWEZNQCLSA-N 2 2 318.446 2.047 10 0 DEAELP C[N@H+](Cc1nccs1)[C@H]1CC12CC[NH+](Cc1cc[nH]n1)CC2 ZINC000275556375 403105480 /nfs/dbraw/zinc/10/54/80/403105480.db2.gz GGISCCCSONLXIC-AWEZNQCLSA-N 2 2 317.462 2.353 10 0 DEAELP C[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH+](Cc1cc[nH]n1)CC2 ZINC000275556375 403105482 /nfs/dbraw/zinc/10/54/82/403105482.db2.gz GGISCCCSONLXIC-AWEZNQCLSA-N 2 2 317.462 2.353 10 0 DEAELP COc1cccc2c1[nH+]cc(C)c2N1CCO[C@H](C[NH+](C)C)C1 ZINC000276212476 403154052 /nfs/dbraw/zinc/15/40/52/403154052.db2.gz KGVGVWBJEDDKRX-CQSZACIVSA-N 2 2 315.417 2.319 10 0 DEAELP c1c(C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)nc2ncccn12 ZINC000298220345 403334095 /nfs/dbraw/zinc/33/40/95/403334095.db2.gz AJNDDZYAKFYIJP-UHFFFAOYSA-N 2 2 321.428 2.267 10 0 DEAELP c1c(C[NH2+]CCC[N@H+]2CCc3ccccc3C2)nc2ncccn12 ZINC000298220345 403334101 /nfs/dbraw/zinc/33/41/01/403334101.db2.gz AJNDDZYAKFYIJP-UHFFFAOYSA-N 2 2 321.428 2.267 10 0 DEAELP Cc1nc(N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)nc(N)[nH+]1 ZINC000309931409 403963970 /nfs/dbraw/zinc/96/39/70/403963970.db2.gz WHXOIUKWTVCZEE-DOMZBBRYSA-N 2 2 312.421 2.085 10 0 DEAELP Cc1nc(N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)nc(N)[nH+]1 ZINC000309931409 403963980 /nfs/dbraw/zinc/96/39/80/403963980.db2.gz WHXOIUKWTVCZEE-DOMZBBRYSA-N 2 2 312.421 2.085 10 0 DEAELP Cc1nc(N)nc(N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)[nH+]1 ZINC000309931409 403963987 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CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000361543069 405123216 /nfs/dbraw/zinc/12/32/16/405123216.db2.gz KBECMPNFRHWDCT-CVEARBPZSA-N 2 2 318.465 2.076 10 0 DEAELP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000361543069 405123219 /nfs/dbraw/zinc/12/32/19/405123219.db2.gz KBECMPNFRHWDCT-CVEARBPZSA-N 2 2 318.465 2.076 10 0 DEAELP COC1([C@H](C)[NH2+][C@H]2CC[N@H+](CC3CCCC3)C2)CCOCC1 ZINC000453124649 405285277 /nfs/dbraw/zinc/28/52/77/405285277.db2.gz SCFAYPVKGAWPPK-RDJZCZTQSA-N 2 2 310.482 2.425 10 0 DEAELP COC1([C@H](C)[NH2+][C@H]2CC[N@@H+](CC3CCCC3)C2)CCOCC1 ZINC000453124649 405285279 /nfs/dbraw/zinc/28/52/79/405285279.db2.gz SCFAYPVKGAWPPK-RDJZCZTQSA-N 2 2 310.482 2.425 10 0 DEAELP COc1ccc(C[C@@H](C)[NH2+][C@H]2CCC[N@H+](CCCO)C2)cc1 ZINC000449396893 405546241 /nfs/dbraw/zinc/54/62/41/405546241.db2.gz NCRUBDVLKZLPQC-WBVHZDCISA-N 2 2 306.450 2.063 10 0 DEAELP COc1ccc(C[C@@H](C)[NH2+][C@H]2CCC[N@@H+](CCCO)C2)cc1 ZINC000449396893 405546243 /nfs/dbraw/zinc/54/62/43/405546243.db2.gz NCRUBDVLKZLPQC-WBVHZDCISA-N 2 2 306.450 2.063 10 0 DEAELP c1nnsc1C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000450925959 405987924 /nfs/dbraw/zinc/98/79/24/405987924.db2.gz JOQMQIBAUVKUKY-LBPRGKRZSA-N 2 2 303.435 2.451 10 0 DEAELP c1nnsc1C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000450925959 405987929 /nfs/dbraw/zinc/98/79/29/405987929.db2.gz JOQMQIBAUVKUKY-LBPRGKRZSA-N 2 2 303.435 2.451 10 0 DEAELP CC(=O)[C@@](C)(O)C[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000567994866 406177035 /nfs/dbraw/zinc/17/70/35/406177035.db2.gz XEMHDOKKOIUDLZ-WBVHZDCISA-N 2 2 324.490 2.150 10 0 DEAELP CC(=O)[C@@](C)(O)C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000567994866 406177039 /nfs/dbraw/zinc/17/70/39/406177039.db2.gz XEMHDOKKOIUDLZ-WBVHZDCISA-N 2 2 324.490 2.150 10 0 DEAELP CC(=O)[C@@](C)(O)C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000567994866 406177044 /nfs/dbraw/zinc/17/70/44/406177044.db2.gz XEMHDOKKOIUDLZ-WBVHZDCISA-N 2 2 324.490 2.150 10 0 DEAELP 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ZINC000553329399 406750677 /nfs/dbraw/zinc/75/06/77/406750677.db2.gz HERAPKWRKANTGY-ZIAGYGMSSA-N 2 2 318.465 2.191 10 0 DEAELP CC[N@@H+]1CCN(C(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)[C@H](C)C1 ZINC000553329399 406750681 /nfs/dbraw/zinc/75/06/81/406750681.db2.gz HERAPKWRKANTGY-ZIAGYGMSSA-N 2 2 318.465 2.191 10 0 DEAELP CNc1nc(N[C@H](C)C[NH+]2CCCC2)c(Br)c[nH+]1 ZINC000130870597 196119101 /nfs/dbraw/zinc/11/91/01/196119101.db2.gz GFELTCNKRLHWRG-SECBINFHSA-N 2 2 314.231 2.177 10 0 DEAELP c1ccc(OC2CCC2)c(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)c1 ZINC000422915783 230274888 /nfs/dbraw/zinc/27/48/88/230274888.db2.gz YZNPRTDMNJKRAX-OALUTQOASA-N 2 2 316.445 2.475 10 0 DEAELP Cc1ccc(C)c(OC[C@H](O)C[NH+]2CCC([NH+](C)C)CC2)c1C ZINC000193812329 424871177 /nfs/dbraw/zinc/87/11/77/424871177.db2.gz XCFDFTLHOIMMHX-GOSISDBHSA-N 2 2 320.477 2.378 10 0 DEAELP CCc1ccc([C@H](C)[NH2+][C@H](C)C(=O)N2CC[NH+](CC)CC2)cc1 ZINC000192662021 424864688 /nfs/dbraw/zinc/86/46/88/424864688.db2.gz DHFOZTCVDDHQHJ-JKSUJKDBSA-N 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ZINC000175389375 279332602 /nfs/dbraw/zinc/33/26/02/279332602.db2.gz SIWJAESCNSNILD-UONOGXRCSA-N 2 2 305.426 2.131 10 0 DEAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cc(OC)ccc1OC ZINC000163285413 523835309 /nfs/dbraw/zinc/83/53/09/523835309.db2.gz ASLBYFRMGWWBBW-GJZGRUSLSA-N 2 2 322.449 2.465 10 0 DEAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cc(OC)ccc1OC ZINC000163285413 523835313 /nfs/dbraw/zinc/83/53/13/523835313.db2.gz ASLBYFRMGWWBBW-GJZGRUSLSA-N 2 2 322.449 2.465 10 0 DEAELP Cn1c[nH+]cc1[C@@H]1C[C@H]([NH2+]Cc2c[nH]nc2C(C)(C)C)CCO1 ZINC000328626402 534813149 /nfs/dbraw/zinc/81/31/49/534813149.db2.gz FALYDPFDSJMGHD-HIFRSBDPSA-N 2 2 317.437 2.451 10 0 DEAELP [NH3+]Cc1ccc(C(=O)N2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000237952719 648449186 /nfs/dbraw/zinc/44/91/86/648449186.db2.gz SFKWDNMRGPLVJV-UHFFFAOYSA-N 2 2 315.442 2.165 10 0 DEAELP Cc1[nH+]cc(C[NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)n1C ZINC000723787756 777170487 /nfs/dbraw/zinc/17/04/87/777170487.db2.gz BHZUMGGAKSKHIA-TZMCWYRMSA-N 2 2 322.453 2.321 10 0 DEAELP CCOc1nnc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)s1 ZINC000328650960 231287478 /nfs/dbraw/zinc/28/74/78/231287478.db2.gz JKTMSXGAZIZZOA-UHFFFAOYSA-N 2 2 321.450 2.125 10 0 DEAELP COCCC[C@@H]([NH3+])C[NH2+]Cc1cc(Br)cs1 ZINC000088006027 185237833 /nfs/dbraw/zinc/23/78/33/185237833.db2.gz DBLOIDVHMZHPTK-SNVBAGLBSA-N 2 2 307.257 2.354 10 0 DEAELP COCCC[C@@H]([NH3+])C[NH2+]Cc1ccc(Br)s1 ZINC000088006023 185238119 /nfs/dbraw/zinc/23/81/19/185238119.db2.gz JOLFNWGDUYHUGY-SECBINFHSA-N 2 2 307.257 2.354 10 0 DEAELP CC1(C)[C@H]2C[NH2+]C[C@H]2C[N@@H+]1Cc1cc2c(c(Cl)c1)OCO2 ZINC000090337891 185291806 /nfs/dbraw/zinc/29/18/06/185291806.db2.gz GFTLBTNHJPJPPH-RYUDHWBXSA-N 2 2 308.809 2.499 10 0 DEAELP CC1(C)[C@H]2C[NH2+]C[C@H]2C[N@H+]1Cc1cc2c(c(Cl)c1)OCO2 ZINC000090337891 185291807 /nfs/dbraw/zinc/29/18/07/185291807.db2.gz GFTLBTNHJPJPPH-RYUDHWBXSA-N 2 2 308.809 2.499 10 0 DEAELP CCC[NH2+]CC(CC)(CC)C[N@@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000163923054 186142342 /nfs/dbraw/zinc/14/23/42/186142342.db2.gz ULVPDXVCEWLIGD-OAHLLOKOSA-N 2 2 300.487 2.264 10 0 DEAELP CCC[NH2+]CC(CC)(CC)C[N@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000163923054 186142344 /nfs/dbraw/zinc/14/23/44/186142344.db2.gz ULVPDXVCEWLIGD-OAHLLOKOSA-N 2 2 300.487 2.264 10 0 DEAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NCc2ccccc2C)[C@H](C)C1 ZINC000174779830 198384179 /nfs/dbraw/zinc/38/41/79/198384179.db2.gz XFPRNKMACKXLQG-SJLPKXTDSA-N 2 2 317.477 2.273 10 0 DEAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NCc2ccccc2C)[C@H](C)C1 ZINC000174779830 198384182 /nfs/dbraw/zinc/38/41/82/198384182.db2.gz XFPRNKMACKXLQG-SJLPKXTDSA-N 2 2 317.477 2.273 10 0 DEAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NCc2ccccc2C)[C@H](C)C1 ZINC000174779830 198384183 /nfs/dbraw/zinc/38/41/83/198384183.db2.gz XFPRNKMACKXLQG-SJLPKXTDSA-N 2 2 317.477 2.273 10 0 DEAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NCc2ccccc2C)[C@H](C)C1 ZINC000174779830 198384185 /nfs/dbraw/zinc/38/41/85/198384185.db2.gz XFPRNKMACKXLQG-SJLPKXTDSA-N 2 2 317.477 2.273 10 0 DEAELP C[C@@H]1C[C@H]([NH+](C)CC(=O)N(C)Cc2cccs2)CC[N@@H+]1C ZINC000174873759 198396304 /nfs/dbraw/zinc/39/63/04/198396304.db2.gz OHAJSQFTGCSGIE-ZIAGYGMSSA-N 2 2 309.479 2.121 10 0 DEAELP C[C@@H]1C[C@H]([NH+](C)CC(=O)N(C)Cc2cccs2)CC[N@H+]1C ZINC000174873759 198396306 /nfs/dbraw/zinc/39/63/06/198396306.db2.gz OHAJSQFTGCSGIE-ZIAGYGMSSA-N 2 2 309.479 2.121 10 0 DEAELP C[C@@H]1C[C@H]([N@H+](C)CC(=O)N(C)Cc2cccs2)CC[NH+]1C ZINC000174873759 198396307 /nfs/dbraw/zinc/39/63/07/198396307.db2.gz OHAJSQFTGCSGIE-ZIAGYGMSSA-N 2 2 309.479 2.121 10 0 DEAELP C[C@@H]1C[C@H]([N@@H+](C)CC(=O)N(C)Cc2cccs2)CC[NH+]1C ZINC000174873759 198396309 /nfs/dbraw/zinc/39/63/09/198396309.db2.gz OHAJSQFTGCSGIE-ZIAGYGMSSA-N 2 2 309.479 2.121 10 0 DEAELP Cc1ncsc1C[NH+]1CC(c2noc([C@@H]3CCC[N@H+]3C)n2)C1 ZINC000169791487 355984650 /nfs/dbraw/zinc/98/46/50/355984650.db2.gz ZKQMLOHWDPVYNR-LBPRGKRZSA-N 2 2 319.434 2.201 10 0 DEAELP Cc1ncsc1C[NH+]1CC(c2noc([C@@H]3CCC[N@@H+]3C)n2)C1 ZINC000169791487 355984655 /nfs/dbraw/zinc/98/46/55/355984655.db2.gz ZKQMLOHWDPVYNR-LBPRGKRZSA-N 2 2 319.434 2.201 10 0 DEAELP C[NH+]1CCN(C(=O)C[NH2+][C@H]2c3ccccc3CCC2(C)C)CC1 ZINC000183201870 356163925 /nfs/dbraw/zinc/16/39/25/356163925.db2.gz QAXXXWVUBWXMBA-SFHVURJKSA-N 2 2 315.461 2.064 10 0 DEAELP CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c2ccccc21 ZINC000621761836 364537691 /nfs/dbraw/zinc/53/76/91/364537691.db2.gz OGKQVVYIYMXDEE-UKRRQHHQSA-N 2 2 310.401 2.355 10 0 DEAELP CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)c2ccccc21 ZINC000621761836 364537696 /nfs/dbraw/zinc/53/76/96/364537696.db2.gz OGKQVVYIYMXDEE-UKRRQHHQSA-N 2 2 310.401 2.355 10 0 DEAELP CCc1c[nH]c(CC(=O)Nc2ccc(CC[NH+](C)C)cc2)[nH+]1 ZINC000623173672 364906573 /nfs/dbraw/zinc/90/65/73/364906573.db2.gz LURPMUZEMXCXAR-UHFFFAOYSA-N 2 2 300.406 2.257 10 0 DEAELP CC[C@@](C)([C@H]([NH3+])CCCS(=O)(=O)CC)[NH+]1CCCCC1 ZINC000091608945 193079715 /nfs/dbraw/zinc/07/97/15/193079715.db2.gz YJSQTSIBJHMIRB-CABCVRRESA-N 2 2 304.500 2.183 10 0 DEAELP CC[C@@H]([NH3+])Cc1cc(Cl)ccc1OC[C@@H]1C[N@H+](C)CCO1 ZINC000092060656 193149508 /nfs/dbraw/zinc/14/95/08/193149508.db2.gz VYEZJKZGXCUSFW-CABCVRRESA-N 2 2 312.841 2.329 10 0 DEAELP CC[C@@H]([NH3+])Cc1cc(Cl)ccc1OC[C@@H]1C[N@@H+](C)CCO1 ZINC000092060656 193149510 /nfs/dbraw/zinc/14/95/10/193149510.db2.gz VYEZJKZGXCUSFW-CABCVRRESA-N 2 2 312.841 2.329 10 0 DEAELP COc1ccc(Br)cc1C[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631842861 368418690 /nfs/dbraw/zinc/41/86/90/368418690.db2.gz GYWONAKEIUHBFG-JQWIXIFHSA-N 2 2 313.239 2.484 10 0 DEAELP COc1ccc(Br)cc1C[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631842861 368418692 /nfs/dbraw/zinc/41/86/92/368418692.db2.gz GYWONAKEIUHBFG-JQWIXIFHSA-N 2 2 313.239 2.484 10 0 DEAELP C[N@H+](CC(C)(C)O)[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000092958544 193188651 /nfs/dbraw/zinc/18/86/51/193188651.db2.gz CTSTZZJYOGMBAT-LBPRGKRZSA-N 2 2 301.228 2.152 10 0 DEAELP C[N@@H+](CC(C)(C)O)[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000092958544 193188653 /nfs/dbraw/zinc/18/86/53/193188653.db2.gz CTSTZZJYOGMBAT-LBPRGKRZSA-N 2 2 301.228 2.152 10 0 DEAELP C[C@@H]1C[C@@H]([NH+](C)Cc2cn(C)nc2-c2cccnc2)CC[N@@H+]1C ZINC000093644139 193281676 /nfs/dbraw/zinc/28/16/76/193281676.db2.gz VSMMUDPISLVJDK-PBHICJAKSA-N 2 2 313.449 2.397 10 0 DEAELP C[C@@H]1C[C@@H]([NH+](C)Cc2cn(C)nc2-c2cccnc2)CC[N@H+]1C ZINC000093644139 193281678 /nfs/dbraw/zinc/28/16/78/193281678.db2.gz VSMMUDPISLVJDK-PBHICJAKSA-N 2 2 313.449 2.397 10 0 DEAELP C[C@@H]1C[C@@H]([N@H+](C)Cc2cn(C)nc2-c2cccnc2)CC[NH+]1C ZINC000093644139 193281680 /nfs/dbraw/zinc/28/16/80/193281680.db2.gz VSMMUDPISLVJDK-PBHICJAKSA-N 2 2 313.449 2.397 10 0 DEAELP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cn(C)nc2-c2cccnc2)CC[NH+]1C ZINC000093644139 193281682 /nfs/dbraw/zinc/28/16/82/193281682.db2.gz VSMMUDPISLVJDK-PBHICJAKSA-N 2 2 313.449 2.397 10 0 DEAELP COc1c(C)cc(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1C ZINC000093664358 193286088 /nfs/dbraw/zinc/28/60/88/193286088.db2.gz IPDMYNMNTJXXIS-QGZVFWFLSA-N 2 2 318.461 2.466 10 0 DEAELP COc1c(C)cc(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1C ZINC000093664358 193286089 /nfs/dbraw/zinc/28/60/89/193286089.db2.gz IPDMYNMNTJXXIS-QGZVFWFLSA-N 2 2 318.461 2.466 10 0 DEAELP CCC[NH2+][C@@H](Cc1cccc(Cl)c1)[C@@H]1C[N@H+](C)CCN1C ZINC000093895947 193324801 /nfs/dbraw/zinc/32/48/01/193324801.db2.gz QCMUFFBXXROKTG-IRXDYDNUSA-N 2 2 309.885 2.497 10 0 DEAELP CCC[NH2+][C@@H](Cc1cccc(Cl)c1)[C@@H]1C[N@@H+](C)CCN1C ZINC000093895947 193324803 /nfs/dbraw/zinc/32/48/03/193324803.db2.gz QCMUFFBXXROKTG-IRXDYDNUSA-N 2 2 309.885 2.497 10 0 DEAELP CCC[NH2+][C@H](Cc1ccccc1Cl)[C@@H]1C[N@H+](C)CCN1C ZINC000093895864 193324984 /nfs/dbraw/zinc/32/49/84/193324984.db2.gz WCZXVTQCXRCCQW-SJORKVTESA-N 2 2 309.885 2.497 10 0 DEAELP CCC[NH2+][C@H](Cc1ccccc1Cl)[C@@H]1C[N@@H+](C)CCN1C ZINC000093895864 193324985 /nfs/dbraw/zinc/32/49/85/193324985.db2.gz WCZXVTQCXRCCQW-SJORKVTESA-N 2 2 309.885 2.497 10 0 DEAELP C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)[C@H]1C[N@H+](C)CCN1C ZINC000093894382 193325406 /nfs/dbraw/zinc/32/54/06/193325406.db2.gz TUTNGVHBTVLJPB-KGLIPLIRSA-N 2 2 301.356 2.212 10 0 DEAELP C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)[C@H]1C[N@@H+](C)CCN1C ZINC000093894382 193325408 /nfs/dbraw/zinc/32/54/08/193325408.db2.gz TUTNGVHBTVLJPB-KGLIPLIRSA-N 2 2 301.356 2.212 10 0 DEAELP CCC[NH2+][C@H]1CCCc2nc([C@H]3C[NH+]4CCN3CC4)sc21 ZINC000094511051 193375089 /nfs/dbraw/zinc/37/50/89/193375089.db2.gz NIBYVDAYDLLQQN-GXTWGEPZSA-N 2 2 306.479 2.192 10 0 DEAELP CCC[NH2+][C@H]1CCCc2nc([C@@H]3C[NH+]4CCN3CC4)sc21 ZINC000094511049 193375434 /nfs/dbraw/zinc/37/54/34/193375434.db2.gz NIBYVDAYDLLQQN-JSGCOSHPSA-N 2 2 306.479 2.192 10 0 DEAELP CCCOc1ccc(C[NH2+]CCC[NH+]2CCOCC2)cc1OC ZINC000020968049 182256836 /nfs/dbraw/zinc/25/68/36/182256836.db2.gz VHACQAPIHOJEMG-UHFFFAOYSA-N 2 2 322.449 2.296 10 0 DEAELP COC(=O)C(C)(C)[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000489941598 248856261 /nfs/dbraw/zinc/85/62/61/248856261.db2.gz VNJUXBRYCKXNSG-UHFFFAOYSA-N 2 2 313.401 2.308 10 0 DEAELP C[N@H+](CC(=O)Nc1cccc(Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746943 183128804 /nfs/dbraw/zinc/12/88/04/183128804.db2.gz MOXJOIAJUDMGLK-YIONKMFJSA-N 2 2 307.825 2.493 10 0 DEAELP C[N@@H+](CC(=O)Nc1cccc(Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746943 183128805 /nfs/dbraw/zinc/12/88/05/183128805.db2.gz MOXJOIAJUDMGLK-YIONKMFJSA-N 2 2 307.825 2.493 10 0 DEAELP CC[N@@H+]([C@@H](C[NH3+])c1cc2c(c(Cl)c1)OCO2)[C@@H](C)COC ZINC000042743067 183304378 /nfs/dbraw/zinc/30/43/78/183304378.db2.gz VIUMHEQWSDOOLR-GWCFXTLKSA-N 2 2 314.813 2.425 10 0 DEAELP CC[N@H+]([C@@H](C[NH3+])c1cc2c(c(Cl)c1)OCO2)[C@@H](C)COC ZINC000042743067 183304380 /nfs/dbraw/zinc/30/43/80/183304380.db2.gz VIUMHEQWSDOOLR-GWCFXTLKSA-N 2 2 314.813 2.425 10 0 DEAELP CC[C@H]([NH3+])[C@@H](c1ccc(C)s1)[NH+](CCOC)CCOC ZINC000043240870 183345520 /nfs/dbraw/zinc/34/55/20/183345520.db2.gz GFXBZLYMIVUFCV-ZFWWWQNUSA-N 2 2 300.468 2.430 10 0 DEAELP [NH3+]C1CC[NH+]([C@@H]2CCN(C(=O)c3sccc3Cl)C2)CC1 ZINC000159083189 197325831 /nfs/dbraw/zinc/32/58/31/197325831.db2.gz HKRBGRMZKBPHTP-LLVKDONJSA-N 2 2 313.854 2.039 10 0 DEAELP c1csc(C[NH+]2C[C@@H]3CC[N@@H+](C[C@@H]4CCCO4)C[C@@H]3C2)n1 ZINC000247929916 257114208 /nfs/dbraw/zinc/11/42/08/257114208.db2.gz QIDVHCDNZYXKDL-ZNMIVQPWSA-N 2 2 307.463 2.076 10 0 DEAELP c1csc(C[NH+]2C[C@@H]3CC[N@H+](C[C@@H]4CCCO4)C[C@@H]3C2)n1 ZINC000247929916 257114209 /nfs/dbraw/zinc/11/42/09/257114209.db2.gz QIDVHCDNZYXKDL-ZNMIVQPWSA-N 2 2 307.463 2.076 10 0 DEAELP c1csc(C[N@H+]2C[C@@H]3CC[NH+](C[C@@H]4CCCO4)C[C@@H]3C2)n1 ZINC000247929916 257114210 /nfs/dbraw/zinc/11/42/10/257114210.db2.gz QIDVHCDNZYXKDL-ZNMIVQPWSA-N 2 2 307.463 2.076 10 0 DEAELP c1csc(C[N@@H+]2C[C@@H]3CC[NH+](C[C@@H]4CCCO4)C[C@@H]3C2)n1 ZINC000247929916 257114211 /nfs/dbraw/zinc/11/42/11/257114211.db2.gz QIDVHCDNZYXKDL-ZNMIVQPWSA-N 2 2 307.463 2.076 10 0 DEAELP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCOc1cccc(Br)c1 ZINC000358012889 133115807 /nfs/dbraw/zinc/11/58/07/133115807.db2.gz BLEMAXFWQHMZOC-SMDDNHRTSA-N 2 2 313.239 2.368 10 0 DEAELP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCOc1cccc(Br)c1 ZINC000358012889 133115808 /nfs/dbraw/zinc/11/58/08/133115808.db2.gz BLEMAXFWQHMZOC-SMDDNHRTSA-N 2 2 313.239 2.368 10 0 DEAELP CC1=CC[N@H+](CCNC2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000358219011 133129388 /nfs/dbraw/zinc/12/93/88/133129388.db2.gz DBTSFFKQSHCIME-UHFFFAOYSA-N 2 2 314.477 2.288 10 0 DEAELP CC1=CC[N@@H+](CCNC2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000358219011 133129389 /nfs/dbraw/zinc/12/93/89/133129389.db2.gz DBTSFFKQSHCIME-UHFFFAOYSA-N 2 2 314.477 2.288 10 0 DEAELP CC1=CC[N@H+](CCNC2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000358264744 133132322 /nfs/dbraw/zinc/13/23/22/133132322.db2.gz YZLHIKCJPWPNOU-UHFFFAOYSA-N 2 2 314.477 2.288 10 0 DEAELP CC1=CC[N@@H+](CCNC2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000358264744 133132323 /nfs/dbraw/zinc/13/23/23/133132323.db2.gz YZLHIKCJPWPNOU-UHFFFAOYSA-N 2 2 314.477 2.288 10 0 DEAELP O=C(c1ccsc1)N1CCC[N@H+](CCC[NH+]2CCCC2)CC1 ZINC000193475766 145086394 /nfs/dbraw/zinc/08/63/94/145086394.db2.gz SXOPKJSQKWIZTC-UHFFFAOYSA-N 2 2 321.490 2.382 10 0 DEAELP O=C(c1ccsc1)N1CCC[N@@H+](CCC[NH+]2CCCC2)CC1 ZINC000193475766 145086396 /nfs/dbraw/zinc/08/63/96/145086396.db2.gz SXOPKJSQKWIZTC-UHFFFAOYSA-N 2 2 321.490 2.382 10 0 DEAELP O=C(c1ccccc1)N1CCC[N@H+](CCC[NH+]2CCCC2)CC1 ZINC000193478353 145086599 /nfs/dbraw/zinc/08/65/99/145086599.db2.gz WIFULEIEOLMJMP-UHFFFAOYSA-N 2 2 315.461 2.320 10 0 DEAELP O=C(c1ccccc1)N1CCC[N@@H+](CCC[NH+]2CCCC2)CC1 ZINC000193478353 145086601 /nfs/dbraw/zinc/08/66/01/145086601.db2.gz WIFULEIEOLMJMP-UHFFFAOYSA-N 2 2 315.461 2.320 10 0 DEAELP Cc1cccc(NC(=O)[C@@H](C)[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1C ZINC000193655908 145088805 /nfs/dbraw/zinc/08/88/05/145088805.db2.gz XPZXDJDWZSIIEG-OAGGEKHMSA-N 2 2 301.434 2.124 10 0 DEAELP Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1C ZINC000193655908 145088806 /nfs/dbraw/zinc/08/88/06/145088806.db2.gz XPZXDJDWZSIIEG-OAGGEKHMSA-N 2 2 301.434 2.124 10 0 DEAELP Cc1cccc(NC(=O)[C@@H](C)[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c1C ZINC000193655908 145088808 /nfs/dbraw/zinc/08/88/08/145088808.db2.gz XPZXDJDWZSIIEG-OAGGEKHMSA-N 2 2 301.434 2.124 10 0 DEAELP Cc1cccc(NC(=O)[C@@H](C)[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c1C ZINC000193655908 145088809 /nfs/dbraw/zinc/08/88/09/145088809.db2.gz XPZXDJDWZSIIEG-OAGGEKHMSA-N 2 2 301.434 2.124 10 0 DEAELP Cc1cc2oc(=O)cc(C[NH+]3C[C@H]4C[N@H+](C)C[C@H]4C3)c2cc1C ZINC000193652308 145089072 /nfs/dbraw/zinc/08/90/72/145089072.db2.gz HZXRBDLBBBGSIS-IYBDPMFKSA-N 2 2 312.413 2.403 10 0 DEAELP Cc1cc2oc(=O)cc(C[NH+]3C[C@H]4C[N@@H+](C)C[C@H]4C3)c2cc1C ZINC000193652308 145089073 /nfs/dbraw/zinc/08/90/73/145089073.db2.gz HZXRBDLBBBGSIS-IYBDPMFKSA-N 2 2 312.413 2.403 10 0 DEAELP Cc1cc2oc(=O)cc(C[N@@H+]3C[C@H]4C[NH+](C)C[C@H]4C3)c2cc1C ZINC000193652308 145089075 /nfs/dbraw/zinc/08/90/75/145089075.db2.gz HZXRBDLBBBGSIS-IYBDPMFKSA-N 2 2 312.413 2.403 10 0 DEAELP Cc1cc2oc(=O)cc(C[N@H+]3C[C@H]4C[NH+](C)C[C@H]4C3)c2cc1C ZINC000193652308 145089077 /nfs/dbraw/zinc/08/90/77/145089077.db2.gz HZXRBDLBBBGSIS-IYBDPMFKSA-N 2 2 312.413 2.403 10 0 DEAELP CCNC(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000247921197 145144757 /nfs/dbraw/zinc/14/47/57/145144757.db2.gz BDZAXWHDATYXBU-ZWKOTPCHSA-N 2 2 315.461 2.109 10 0 DEAELP CCNC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000247921197 145144758 /nfs/dbraw/zinc/14/47/58/145144758.db2.gz BDZAXWHDATYXBU-ZWKOTPCHSA-N 2 2 315.461 2.109 10 0 DEAELP CCNC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000247921197 145144760 /nfs/dbraw/zinc/14/47/60/145144760.db2.gz BDZAXWHDATYXBU-ZWKOTPCHSA-N 2 2 315.461 2.109 10 0 DEAELP CCNC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000247921197 145144761 /nfs/dbraw/zinc/14/47/61/145144761.db2.gz BDZAXWHDATYXBU-ZWKOTPCHSA-N 2 2 315.461 2.109 10 0 DEAELP Cc1cccc(CNC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000247927042 145144811 /nfs/dbraw/zinc/14/48/11/145144811.db2.gz BRGVQGYPLCFNBB-ZWKOTPCHSA-N 2 2 315.461 2.027 10 0 DEAELP Cc1cccc(CNC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000247927042 145144815 /nfs/dbraw/zinc/14/48/15/145144815.db2.gz BRGVQGYPLCFNBB-ZWKOTPCHSA-N 2 2 315.461 2.027 10 0 DEAELP Cc1cccc(CNC(=O)C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000247927042 145144817 /nfs/dbraw/zinc/14/48/17/145144817.db2.gz BRGVQGYPLCFNBB-ZWKOTPCHSA-N 2 2 315.461 2.027 10 0 DEAELP Cc1cccc(CNC(=O)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000247927042 145144819 /nfs/dbraw/zinc/14/48/19/145144819.db2.gz BRGVQGYPLCFNBB-ZWKOTPCHSA-N 2 2 315.461 2.027 10 0 DEAELP CCCCOC[C@H](O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000248662234 145163531 /nfs/dbraw/zinc/16/35/31/145163531.db2.gz YDGKGCBBKVBBHY-HZPDHXFCSA-N 2 2 309.454 2.260 10 0 DEAELP CCCCOC[C@H](O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000248662234 145163533 /nfs/dbraw/zinc/16/35/33/145163533.db2.gz YDGKGCBBKVBBHY-HZPDHXFCSA-N 2 2 309.454 2.260 10 0 DEAELP CCN(Cc1ccccc1)C(=O)C[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261551168 145207194 /nfs/dbraw/zinc/20/71/94/145207194.db2.gz QGDWPMDMOCTFNJ-INIZCTEOSA-N 2 2 303.450 2.094 10 0 DEAELP CCN(Cc1ccccc1)C(=O)C[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261551168 145207195 /nfs/dbraw/zinc/20/71/95/145207195.db2.gz QGDWPMDMOCTFNJ-INIZCTEOSA-N 2 2 303.450 2.094 10 0 DEAELP CCc1ccc(CN(C)C(=O)C[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000261692973 145217497 /nfs/dbraw/zinc/21/74/97/145217497.db2.gz KVIQCQDYWRGFPA-KRWDZBQOSA-N 2 2 317.477 2.267 10 0 DEAELP CCc1ccc(CN(C)C(=O)C[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000261692973 145217498 /nfs/dbraw/zinc/21/74/98/145217498.db2.gz KVIQCQDYWRGFPA-KRWDZBQOSA-N 2 2 317.477 2.267 10 0 DEAELP Cc1ccc(CNC(=O)[C@H](C)[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000261828758 145231416 /nfs/dbraw/zinc/23/14/16/145231416.db2.gz YNNCOBDBWCEATP-HOCLYGCPSA-N 2 2 303.450 2.059 10 0 DEAELP Cc1ccc(CNC(=O)[C@H](C)[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000261828758 145231417 /nfs/dbraw/zinc/23/14/17/145231417.db2.gz YNNCOBDBWCEATP-HOCLYGCPSA-N 2 2 303.450 2.059 10 0 DEAELP [NH3+]C1(C(=O)Nc2ccc(Oc3cc[nH+]cc3)cc2)CCOCC1 ZINC000261881517 145236880 /nfs/dbraw/zinc/23/68/80/145236880.db2.gz PIRAAQOKJGQTRI-UHFFFAOYSA-N 2 2 313.357 2.320 10 0 DEAELP Cc1cc(C(C)C)nc(N2CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)n1 ZINC000262000818 145251981 /nfs/dbraw/zinc/25/19/81/145251981.db2.gz UAYMJCUUWOFFCP-INIZCTEOSA-N 2 2 317.481 2.030 10 0 DEAELP Cc1[nH+]ccn1CC[NH2+][C@H](c1ccn(C)n1)c1ccc(F)cc1 ZINC000359233193 147287955 /nfs/dbraw/zinc/28/79/55/147287955.db2.gz JYUQPPMGVUMDMH-KRWDZBQOSA-N 2 2 313.380 2.443 10 0 DEAELP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1ccc(-c2ccncc2)cc1F ZINC000131371042 401849050 /nfs/dbraw/zinc/84/90/50/401849050.db2.gz CTOUOOXQWHDVQS-GOSISDBHSA-N 2 2 317.408 2.290 10 0 DEAELP COC(=O)CC[C@H]1C[N@H+](Cc2cccc(O)c2)CC[C@H]1[NH+](C)C ZINC000014954651 401814757 /nfs/dbraw/zinc/81/47/57/401814757.db2.gz CYCPPWMTDAHTSE-DOTOQJQBSA-N 2 2 320.433 2.098 10 0 DEAELP COC(=O)CC[C@H]1C[N@@H+](Cc2cccc(O)c2)CC[C@H]1[NH+](C)C ZINC000014954651 401814760 /nfs/dbraw/zinc/81/47/60/401814760.db2.gz CYCPPWMTDAHTSE-DOTOQJQBSA-N 2 2 320.433 2.098 10 0 DEAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2nc(-c3ccoc3)no2)[C@H](C)C1 ZINC000081095943 401893606 /nfs/dbraw/zinc/89/36/06/401893606.db2.gz OPBUAIVIWZGIRJ-TZMCWYRMSA-N 2 2 304.394 2.492 10 0 DEAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2nc(-c3ccoc3)no2)[C@H](C)C1 ZINC000081095943 401893608 /nfs/dbraw/zinc/89/36/08/401893608.db2.gz OPBUAIVIWZGIRJ-TZMCWYRMSA-N 2 2 304.394 2.492 10 0 DEAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2nc(-c3ccoc3)no2)[C@H](C)C1 ZINC000081095943 401893609 /nfs/dbraw/zinc/89/36/09/401893609.db2.gz OPBUAIVIWZGIRJ-TZMCWYRMSA-N 2 2 304.394 2.492 10 0 DEAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2nc(-c3ccoc3)no2)[C@H](C)C1 ZINC000081095943 401893611 /nfs/dbraw/zinc/89/36/11/401893611.db2.gz OPBUAIVIWZGIRJ-TZMCWYRMSA-N 2 2 304.394 2.492 10 0 DEAELP O[C@H]1CCCC[C@H]1CNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000119549611 401958496 /nfs/dbraw/zinc/95/84/96/401958496.db2.gz UFLRNMSZQICUSU-WFASDCNBSA-N 2 2 324.388 2.174 10 0 DEAELP CCCC[C@@H](C(=O)OC)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090003379 401977902 /nfs/dbraw/zinc/97/79/02/401977902.db2.gz VXSAECIQRJLYNZ-CABCVRRESA-N 2 2 307.438 2.406 10 0 DEAELP CCCC[C@@H](C(=O)OC)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090003379 401977905 /nfs/dbraw/zinc/97/79/05/401977905.db2.gz VXSAECIQRJLYNZ-CABCVRRESA-N 2 2 307.438 2.406 10 0 DEAELP CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)c1 ZINC000151243398 402025452 /nfs/dbraw/zinc/02/54/52/402025452.db2.gz AYJRVYALBMOQBT-KSSFIOAISA-N 2 2 319.449 2.142 10 0 DEAELP C[C@H](C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)N1CCOCC1 ZINC000123435944 402128217 /nfs/dbraw/zinc/12/82/17/402128217.db2.gz CEDPVUWTAZYXGP-HZPDHXFCSA-N 2 2 314.433 2.244 10 0 DEAELP C[C@H]1C[C@@H]([NH+](C)CC(=O)N2CCc3sccc3C2)CC[N@@H+]1C ZINC000123463420 402129375 /nfs/dbraw/zinc/12/93/75/402129375.db2.gz NUWCQTXDVOODJZ-ZFWWWQNUSA-N 2 2 321.490 2.047 10 0 DEAELP C[C@H]1C[C@@H]([NH+](C)CC(=O)N2CCc3sccc3C2)CC[N@H+]1C ZINC000123463420 402129378 /nfs/dbraw/zinc/12/93/78/402129378.db2.gz NUWCQTXDVOODJZ-ZFWWWQNUSA-N 2 2 321.490 2.047 10 0 DEAELP C[C@H]1C[C@@H]([N@H+](C)CC(=O)N2CCc3sccc3C2)CC[NH+]1C ZINC000123463420 402129381 /nfs/dbraw/zinc/12/93/81/402129381.db2.gz NUWCQTXDVOODJZ-ZFWWWQNUSA-N 2 2 321.490 2.047 10 0 DEAELP C[C@H]1C[C@@H]([N@@H+](C)CC(=O)N2CCc3sccc3C2)CC[NH+]1C ZINC000123463420 402129383 /nfs/dbraw/zinc/12/93/83/402129383.db2.gz NUWCQTXDVOODJZ-ZFWWWQNUSA-N 2 2 321.490 2.047 10 0 DEAELP C[C@@H]1C[C@H]([NH+](C)CC(=O)NCc2ccc(Cl)cc2)CC[N@@H+]1C ZINC000123555293 402134141 /nfs/dbraw/zinc/13/41/41/402134141.db2.gz LDNNSXMHDJKRBZ-CZUORRHYSA-N 2 2 323.868 2.371 10 0 DEAELP C[C@@H]1C[C@H]([NH+](C)CC(=O)NCc2ccc(Cl)cc2)CC[N@H+]1C ZINC000123555293 402134145 /nfs/dbraw/zinc/13/41/45/402134145.db2.gz LDNNSXMHDJKRBZ-CZUORRHYSA-N 2 2 323.868 2.371 10 0 DEAELP C[C@@H]1C[C@H]([N@H+](C)CC(=O)NCc2ccc(Cl)cc2)CC[NH+]1C ZINC000123555293 402134147 /nfs/dbraw/zinc/13/41/47/402134147.db2.gz LDNNSXMHDJKRBZ-CZUORRHYSA-N 2 2 323.868 2.371 10 0 DEAELP C[C@@H]1C[C@H]([N@@H+](C)CC(=O)NCc2ccc(Cl)cc2)CC[NH+]1C ZINC000123555293 402134150 /nfs/dbraw/zinc/13/41/50/402134150.db2.gz LDNNSXMHDJKRBZ-CZUORRHYSA-N 2 2 323.868 2.371 10 0 DEAELP COc1ccc(NC(=O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000123683600 402141545 /nfs/dbraw/zinc/14/15/45/402141545.db2.gz OLERKUBGKOKTCZ-DZGCQCFKSA-N 2 2 305.422 2.048 10 0 DEAELP COc1ccc(NC(=O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000123683600 402141547 /nfs/dbraw/zinc/14/15/47/402141547.db2.gz OLERKUBGKOKTCZ-DZGCQCFKSA-N 2 2 305.422 2.048 10 0 DEAELP COc1ccc(NC(=O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000123683600 402141549 /nfs/dbraw/zinc/14/15/49/402141549.db2.gz OLERKUBGKOKTCZ-DZGCQCFKSA-N 2 2 305.422 2.048 10 0 DEAELP COc1ccc(NC(=O)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000123683600 402141552 /nfs/dbraw/zinc/14/15/52/402141552.db2.gz OLERKUBGKOKTCZ-DZGCQCFKSA-N 2 2 305.422 2.048 10 0 DEAELP C[C@@H]1CCCN1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000176108971 402280207 /nfs/dbraw/zinc/28/02/07/402280207.db2.gz XJPSVPXWHVDQDD-MRXNPFEDSA-N 2 2 322.497 2.131 10 0 DEAELP Cc1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c(C)n1 ZINC000187005758 402477902 /nfs/dbraw/zinc/47/79/02/402477902.db2.gz JCBCYHAWTUXEGX-LJQANCHMSA-N 2 2 316.493 2.300 10 0 DEAELP Cc1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c(C)n1 ZINC000187005758 402477904 /nfs/dbraw/zinc/47/79/04/402477904.db2.gz JCBCYHAWTUXEGX-LJQANCHMSA-N 2 2 316.493 2.300 10 0 DEAELP Cc1cc(C)n2c(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)cnc2n1 ZINC000245691071 402480093 /nfs/dbraw/zinc/48/00/93/402480093.db2.gz ARVZAZJLPXQQJE-RDJZCZTQSA-N 2 2 313.449 2.262 10 0 DEAELP Cc1cc(C)n2c(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)cnc2n1 ZINC000245691071 402480095 /nfs/dbraw/zinc/48/00/95/402480095.db2.gz ARVZAZJLPXQQJE-RDJZCZTQSA-N 2 2 313.449 2.262 10 0 DEAELP Cc1cc(C)n2c(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C)C3)cnc2n1 ZINC000245691071 402480097 /nfs/dbraw/zinc/48/00/97/402480097.db2.gz ARVZAZJLPXQQJE-RDJZCZTQSA-N 2 2 313.449 2.262 10 0 DEAELP Cc1cc(C)n2c(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C)C3)cnc2n1 ZINC000245691071 402480099 /nfs/dbraw/zinc/48/00/99/402480099.db2.gz ARVZAZJLPXQQJE-RDJZCZTQSA-N 2 2 313.449 2.262 10 0 DEAELP C[C@H]([NH2+]CCCN1CCOCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189914136 402566999 /nfs/dbraw/zinc/56/69/99/402566999.db2.gz FXWYYXLMGTYRAH-INIZCTEOSA-N 2 2 314.433 2.245 10 0 DEAELP CCCN(CCC[NH+](C)C)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000188615793 402521710 /nfs/dbraw/zinc/52/17/10/402521710.db2.gz JSODQFDSVJSLSK-UHFFFAOYSA-N 2 2 321.469 2.021 10 0 DEAELP CC[C@@H](C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1)[NH+](C)C ZINC000189416518 402536157 /nfs/dbraw/zinc/53/61/57/402536157.db2.gz ASSVKAPOMMNFGI-INIZCTEOSA-N 2 2 323.868 2.155 10 0 DEAELP CC(C)n1nnnc1C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180662205 402622749 /nfs/dbraw/zinc/62/27/49/402622749.db2.gz LXGHOPQDOQIBRM-ZDUSSCGKSA-N 2 2 311.393 2.291 10 0 DEAELP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1nnc(CC)n1C ZINC000191478376 402672884 /nfs/dbraw/zinc/67/28/84/402672884.db2.gz BZADSAQBBKLKDB-UHFFFAOYSA-N 2 2 304.442 2.049 10 0 DEAELP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1nnc(CC)n1C ZINC000191478376 402672886 /nfs/dbraw/zinc/67/28/86/402672886.db2.gz BZADSAQBBKLKDB-UHFFFAOYSA-N 2 2 304.442 2.049 10 0 DEAELP C[NH+]1CCC(CNC(=O)[C@H]2CC=CCC2)([NH+]2CCCCC2)CC1 ZINC000172754183 402673670 /nfs/dbraw/zinc/67/36/70/402673670.db2.gz JPFNMRYDVLWLEU-KRWDZBQOSA-N 2 2 319.493 2.409 10 0 DEAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(OC)c(OC)c1 ZINC000173380322 402695126 /nfs/dbraw/zinc/69/51/26/402695126.db2.gz YHMIJXXQSIPDPN-HOCLYGCPSA-N 2 2 322.449 2.465 10 0 DEAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(OC)c(OC)c1 ZINC000173380322 402695128 /nfs/dbraw/zinc/69/51/28/402695128.db2.gz YHMIJXXQSIPDPN-HOCLYGCPSA-N 2 2 322.449 2.465 10 0 DEAELP C[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cn[nH]c1 ZINC000285084453 403277645 /nfs/dbraw/zinc/27/76/45/403277645.db2.gz JSWBJIXJABRAMI-CRAIPNDOSA-N 2 2 314.433 2.351 10 0 DEAELP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1cn[nH]c1 ZINC000285084453 403277646 /nfs/dbraw/zinc/27/76/46/403277646.db2.gz JSWBJIXJABRAMI-CRAIPNDOSA-N 2 2 314.433 2.351 10 0 DEAELP CC1CC[NH+](Cc2nc([C@H]3C[N@@H+]4CCC[C@@]4(C)CO3)no2)CC1 ZINC000329633810 404401851 /nfs/dbraw/zinc/40/18/51/404401851.db2.gz XIGGRYXUWGCVDL-PBHICJAKSA-N 2 2 320.437 2.227 10 0 DEAELP CC1CC[NH+](Cc2nc([C@H]3C[N@H+]4CCC[C@@]4(C)CO3)no2)CC1 ZINC000329633810 404401857 /nfs/dbraw/zinc/40/18/57/404401857.db2.gz XIGGRYXUWGCVDL-PBHICJAKSA-N 2 2 320.437 2.227 10 0 DEAELP CCCCOC[C@H](O)C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000389840639 405039940 /nfs/dbraw/zinc/03/99/40/405039940.db2.gz NIBKOUGFMULDDD-BHIYHBOVSA-N 2 2 320.477 2.274 10 0 DEAELP CCCCOC[C@H](O)C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000389840639 405039945 /nfs/dbraw/zinc/03/99/45/405039945.db2.gz NIBKOUGFMULDDD-BHIYHBOVSA-N 2 2 320.477 2.274 10 0 DEAELP Cc1nc(N2CC[NH+](CCCC3CCOCC3)CC2)cc[nH+]1 ZINC000361432565 405073006 /nfs/dbraw/zinc/07/30/06/405073006.db2.gz QGPVNDDLSGLPEY-UHFFFAOYSA-N 2 2 304.438 2.114 10 0 DEAELP COCC[N@@H+]1CC[C@@H]([NH2+]C2CC(OCc3ccccc3)C2)C1 ZINC000361673627 405193559 /nfs/dbraw/zinc/19/35/59/405193559.db2.gz LQHASPZMTMTVON-WWDZGPRUSA-N 2 2 304.434 2.045 10 0 DEAELP COCC[N@H+]1CC[C@@H]([NH2+]C2CC(OCc3ccccc3)C2)C1 ZINC000361673627 405193567 /nfs/dbraw/zinc/19/35/67/405193567.db2.gz LQHASPZMTMTVON-WWDZGPRUSA-N 2 2 304.434 2.045 10 0 DEAELP COc1ccc(C[C@H](C)[NH2+]C[C@H]2CCC[N@@H+]2CCCO)cc1 ZINC000449389805 405538380 /nfs/dbraw/zinc/53/83/80/405538380.db2.gz UCOVVYKTVAAZGR-DOTOQJQBSA-N 2 2 306.450 2.063 10 0 DEAELP COc1ccc(C[C@H](C)[NH2+]C[C@H]2CCC[N@H+]2CCCO)cc1 ZINC000449389805 405538385 /nfs/dbraw/zinc/53/83/85/405538385.db2.gz UCOVVYKTVAAZGR-DOTOQJQBSA-N 2 2 306.450 2.063 10 0 DEAELP CCOC(=O)c1nc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cs1 ZINC000531427401 405958767 /nfs/dbraw/zinc/95/87/67/405958767.db2.gz MCUXKQYLCVCEAN-UHFFFAOYSA-N 2 2 320.418 2.423 10 0 DEAELP c1cc(N2CCC[N@H+](Cc3nc(CC4CC4)no3)CC2)cc[nH+]1 ZINC000639684715 406205246 /nfs/dbraw/zinc/20/52/46/406205246.db2.gz KJLKOVBXEUUFPI-UHFFFAOYSA-N 2 2 313.405 2.129 10 0 DEAELP C[C@@H](c1ccccc1Cl)[NH+]1CCN(C(=O)CCC[NH3+])CC1 ZINC000237472454 287149829 /nfs/dbraw/zinc/14/98/29/287149829.db2.gz CKOYSGPRQIUSRR-ZDUSSCGKSA-N 2 2 309.841 2.284 10 0 DEAELP CC[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccc(Br)cn1 ZINC000130871664 196119187 /nfs/dbraw/zinc/11/91/87/196119187.db2.gz TWYPRTQPQBPRPC-LBPRGKRZSA-N 2 2 309.211 2.471 10 0 DEAELP COC[C@@H](C)[C@H](C[NH3+])[N@H+](C)Cc1ccc(Br)cc1 ZINC000131957709 196213277 /nfs/dbraw/zinc/21/32/77/196213277.db2.gz PGNNVULTHCOPIU-RISCZKNCSA-N 2 2 315.255 2.491 10 0 DEAELP COC[C@@H](C)[C@H](C[NH3+])[N@@H+](C)Cc1ccc(Br)cc1 ZINC000131957709 196213278 /nfs/dbraw/zinc/21/32/78/196213278.db2.gz PGNNVULTHCOPIU-RISCZKNCSA-N 2 2 315.255 2.491 10 0 DEAELP CC[NH+](CC)C[C@@H](C)Nc1nc(NC)[nH+]cc1Br ZINC000132342048 196247252 /nfs/dbraw/zinc/24/72/52/196247252.db2.gz WWZDETQELZNKHM-SECBINFHSA-N 2 2 316.247 2.423 10 0 DEAELP Cn1cc[nH+]c1CC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000105875713 424849508 /nfs/dbraw/zinc/84/95/08/424849508.db2.gz ULKRMQAVRGFDMF-UHFFFAOYSA-N 2 2 312.417 2.313 10 0 DEAELP COC[C@H](CCC[NH3+])[NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000397940661 269107746 /nfs/dbraw/zinc/10/77/46/269107746.db2.gz ZOGSTZICUPKEQX-OALUTQOASA-N 3 2 319.493 2.385 10 0 DEAELP COC[C@H](CCC[NH3+])[NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000397940661 269107748 /nfs/dbraw/zinc/10/77/48/269107748.db2.gz ZOGSTZICUPKEQX-OALUTQOASA-N 3 2 319.493 2.385 10 0 DEAELP CN(C)c1nc(N2CC[NH+]([C@H]3C[C@H]3c3ccccc3)CC2)cc[nH+]1 ZINC000361307367 273825420 /nfs/dbraw/zinc/82/54/20/273825420.db2.gz GEVAGRKKQSOJER-IRXDYDNUSA-N 2 2 323.444 2.221 10 0 DEAELP C[C@H](C(=O)N1CCSc2ccccc21)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261689676 298072318 /nfs/dbraw/zinc/07/23/18/298072318.db2.gz HJYOAAMFTLFCTQ-DYVFJYSZSA-N 2 2 319.474 2.185 10 0 DEAELP C[C@H](C(=O)N1CCSc2ccccc21)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261689676 298072321 /nfs/dbraw/zinc/07/23/21/298072321.db2.gz HJYOAAMFTLFCTQ-DYVFJYSZSA-N 2 2 319.474 2.185 10 0 DEAELP Cc1ccccc1[C@@H](CN1CCOCC1)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000183407929 302127966 /nfs/dbraw/zinc/12/79/66/302127966.db2.gz FNPWWPKGFQMQFJ-PKOBYXMFSA-N 2 2 317.477 2.052 10 0 DEAELP Cc1ccccc1[C@@H](CN1CCOCC1)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000183407929 302127969 /nfs/dbraw/zinc/12/79/69/302127969.db2.gz FNPWWPKGFQMQFJ-PKOBYXMFSA-N 2 2 317.477 2.052 10 0 DEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@H](O)COC(C)(C)C)C1 ZINC000105922604 522599308 /nfs/dbraw/zinc/59/93/08/522599308.db2.gz GAMGQJJCPOMWPN-GJZGRUSLSA-N 2 2 309.454 2.258 10 0 DEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@H](O)COC(C)(C)C)C1 ZINC000105922604 522599312 /nfs/dbraw/zinc/59/93/12/522599312.db2.gz GAMGQJJCPOMWPN-GJZGRUSLSA-N 2 2 309.454 2.258 10 0 DEAELP Cc1cc(NC(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)cc[nH+]1 ZINC000119294177 525191424 /nfs/dbraw/zinc/19/14/24/525191424.db2.gz XVOCNHGYZSPAIL-MRXNPFEDSA-N 2 2 320.437 2.258 10 0 DEAELP CC1(C)C[N@H+](CC(=O)N[C@H]2CCCc3ccccc32)CC[C@H]1[NH3+] ZINC000261820697 535352737 /nfs/dbraw/zinc/35/27/37/535352737.db2.gz PKTWBUCMIMWALP-DLBZAZTESA-N 2 2 315.461 2.239 10 0 DEAELP CC1(C)C[N@@H+](CC(=O)N[C@H]2CCCc3ccccc32)CC[C@H]1[NH3+] ZINC000261820697 535352742 /nfs/dbraw/zinc/35/27/42/535352742.db2.gz PKTWBUCMIMWALP-DLBZAZTESA-N 2 2 315.461 2.239 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCC1CC[NH+](C)CC1)C2 ZINC000372464190 535382312 /nfs/dbraw/zinc/38/23/12/535382312.db2.gz IXHSVUBENBDKPE-CQSZACIVSA-N 2 2 318.465 2.096 10 0 DEAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCC1CC[NH+](C)CC1)CC2 ZINC000372464190 535382313 /nfs/dbraw/zinc/38/23/13/535382313.db2.gz IXHSVUBENBDKPE-CQSZACIVSA-N 2 2 318.465 2.096 10 0 DEAELP CCc1[nH+]c2ccccc2n1CC(=O)N1CC[C@H](C)C[C@H]1C[NH3+] ZINC000261742135 536159480 /nfs/dbraw/zinc/15/94/80/536159480.db2.gz INJKMYFUMHGGAI-KBPBESRZSA-N 2 2 314.433 2.185 10 0 DEAELP Cc1[nH+]ccn1CCCC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000726622934 636446626 /nfs/dbraw/zinc/44/66/26/636446626.db2.gz SFPBRFBAJMAGGP-UHFFFAOYSA-N 2 2 301.394 2.101 10 0 DEAELP C[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cncs3)C2)ccn1 ZINC000886068857 691996717 /nfs/dbraw/zinc/99/67/17/691996717.db2.gz YNIKTSWOPDTHRZ-OAHLLOKOSA-N 2 2 318.446 2.253 10 0 DEAELP C[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cncs3)C2)ccn1 ZINC000886068857 691996722 /nfs/dbraw/zinc/99/67/22/691996722.db2.gz YNIKTSWOPDTHRZ-OAHLLOKOSA-N 2 2 318.446 2.253 10 0 DEAELP